data_9MD0
# 
_entry.id   9MD0 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.401 
_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   9MD0         pdb_00009md0 10.2210/pdb9md0/pdb 
WWPDB D_1000290746 ?            ?                   
# 
_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       2025-01-22 
# 
_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                        9MD0 
_pdbx_database_status.recvd_initial_deposition_date   2024-12-05 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_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              cdavies@southalabama.edu 
_pdbx_contact_author.name_first         Christopher 
_pdbx_contact_author.name_last          Davies 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-6687-4064 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Stratton, C.M.' 1 ?                   
'Bala, S.'       2 ?                   
'Davies, C.'     3 0000-0002-6687-4064 
# 
_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                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Biorxiv 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2692-8205 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'A new class of penicillin-binding protein inhibitors to address drug-resistant Neisseria gonorrhoeae.' 
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1101/2024.12.27.630553 
_citation.pdbx_database_id_PubMed   39763734 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Uehara, T.'        1  0000-0001-6994-4286 
primary 'Zulli, A.L.'       2  ?                   
primary 'Miller, B.'        3  ?                   
primary 'Avery, L.M.'       4  ?                   
primary 'Boyd, S.A.'        5  0000-0002-8460-2310 
primary 'Chatwin, C.L.'     6  ?                   
primary 'Chu, G.H.'         7  ?                   
primary 'Drager, A.S.'      8  ?                   
primary 'Edwards, M.'       9  ?                   
primary 'Emeigh Hart, S.G.' 10 ?                   
primary 'Myers, C.L.'       11 0000-0002-5789-2260 
primary 'Rongala, G.'       12 ?                   
primary 'Stevenson, A.'     13 ?                   
primary 'Uehara, K.'        14 ?                   
primary 'Yi, F.'            15 ?                   
primary 'Wang, B.'          16 ?                   
primary 'Liu, Z.'           17 ?                   
primary 'Wang, M.'          18 ?                   
primary 'Zhao, Z.'          19 ?                   
primary 'Zhou, X.'          20 ?                   
primary 'Zhao, H.'          21 ?                   
primary 'Stratton, C.M.'    22 ?                   
primary 'Bala, S.'          23 0000-0001-6673-0055 
primary 'Davies, C.'        24 0000-0002-6687-4064 
primary 'Tkavc, R.'         25 0000-0002-1445-8085 
primary 'Jerse, A.E.'       26 ?                   
primary 'Pevear, D.C.'      27 ?                   
primary 'Burns, C.J.'       28 ?                   
primary 'Daigle, D.M.'      29 0000-0001-9287-2997 
primary 'Condon, S.M.'      30 ?                   
# 
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 'Penicillin-binding protein 2' 35331.383 1  3.4.16.4 ? ? ? 
2 non-polymer nat 
;(3R)-3-({(2R)-2-(4-carboxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl}amino)-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid
;
552.298   1  ?        ? ? ? 
3 water       nat water 18.015    19 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Probable peptidoglycan D,D-transpeptidase PenA,PBP-2' 
# 
_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       
;GSGGALSLDQRIQTLAYEELNKAVEYHQAKAGTVVVLDARTGEILALVNTPGRNRAVTDMIEPGSAMKPFTIAKALDSGK
VDATDTFNTLPYKIGSATVQDTHVYPTLDVRGIMQKSSNVGTSKLSAMFTPKEMYDFYHDLGVGVRMHSGFPGETAGLLR
SWRRWQKIEQATMSFGYGLQLSLLQLARAYTVLTHDGELLPVSFEKQAVAPKGKRVIKASTAKKVRELMVSVTEAGGTGT
AGAVDGFDVGAKTGTARKLVNGRYVDYKHVATFIGFAPAKNPRVIVAVTIDEPTANGYYSGVVTGPVFKQVMGGSLNILG
VSPTKPLTNV
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GSGGALSLDQRIQTLAYEELNKAVEYHQAKAGTVVVLDARTGEILALVNTPGRNRAVTDMIEPGSAMKPFTIAKALDSGK
VDATDTFNTLPYKIGSATVQDTHVYPTLDVRGIMQKSSNVGTSKLSAMFTPKEMYDFYHDLGVGVRMHSGFPGETAGLLR
SWRRWQKIEQATMSFGYGLQLSLLQLARAYTVLTHDGELLPVSFEKQAVAPKGKRVIKASTAKKVRELMVSVTEAGGTGT
AGAVDGFDVGAKTGTARKLVNGRYVDYKHVATFIGFAPAKNPRVIVAVTIDEPTANGYYSGVVTGPVFKQVMGGSLNILG
VSPTKPLTNV
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 
;(3R)-3-({(2R)-2-(4-carboxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl}amino)-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid
;
A1BJB 
3 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   SER n 
1 3   GLY n 
1 4   GLY n 
1 5   ALA n 
1 6   LEU n 
1 7   SER n 
1 8   LEU n 
1 9   ASP n 
1 10  GLN n 
1 11  ARG n 
1 12  ILE n 
1 13  GLN n 
1 14  THR n 
1 15  LEU n 
1 16  ALA n 
1 17  TYR n 
1 18  GLU n 
1 19  GLU n 
1 20  LEU n 
1 21  ASN n 
1 22  LYS n 
1 23  ALA n 
1 24  VAL n 
1 25  GLU n 
1 26  TYR n 
1 27  HIS n 
1 28  GLN n 
1 29  ALA n 
1 30  LYS n 
1 31  ALA n 
1 32  GLY n 
1 33  THR n 
1 34  VAL n 
1 35  VAL n 
1 36  VAL n 
1 37  LEU n 
1 38  ASP n 
1 39  ALA n 
1 40  ARG n 
1 41  THR n 
1 42  GLY n 
1 43  GLU n 
1 44  ILE n 
1 45  LEU n 
1 46  ALA n 
1 47  LEU n 
1 48  VAL n 
1 49  ASN n 
1 50  THR n 
1 51  PRO n 
1 52  GLY n 
1 53  ARG n 
1 54  ASN n 
1 55  ARG n 
1 56  ALA n 
1 57  VAL n 
1 58  THR n 
1 59  ASP n 
1 60  MET n 
1 61  ILE n 
1 62  GLU n 
1 63  PRO n 
1 64  GLY n 
1 65  SER n 
1 66  ALA n 
1 67  MET n 
1 68  LYS n 
1 69  PRO n 
1 70  PHE n 
1 71  THR n 
1 72  ILE n 
1 73  ALA n 
1 74  LYS n 
1 75  ALA n 
1 76  LEU n 
1 77  ASP n 
1 78  SER n 
1 79  GLY n 
1 80  LYS n 
1 81  VAL n 
1 82  ASP n 
1 83  ALA n 
1 84  THR n 
1 85  ASP n 
1 86  THR n 
1 87  PHE n 
1 88  ASN n 
1 89  THR n 
1 90  LEU n 
1 91  PRO n 
1 92  TYR n 
1 93  LYS n 
1 94  ILE n 
1 95  GLY n 
1 96  SER n 
1 97  ALA n 
1 98  THR n 
1 99  VAL n 
1 100 GLN n 
1 101 ASP n 
1 102 THR n 
1 103 HIS n 
1 104 VAL n 
1 105 TYR n 
1 106 PRO n 
1 107 THR n 
1 108 LEU n 
1 109 ASP n 
1 110 VAL n 
1 111 ARG n 
1 112 GLY n 
1 113 ILE n 
1 114 MET n 
1 115 GLN n 
1 116 LYS n 
1 117 SER n 
1 118 SER n 
1 119 ASN n 
1 120 VAL n 
1 121 GLY n 
1 122 THR n 
1 123 SER n 
1 124 LYS n 
1 125 LEU n 
1 126 SER n 
1 127 ALA n 
1 128 MET n 
1 129 PHE n 
1 130 THR n 
1 131 PRO n 
1 132 LYS n 
1 133 GLU n 
1 134 MET n 
1 135 TYR n 
1 136 ASP n 
1 137 PHE n 
1 138 TYR n 
1 139 HIS n 
1 140 ASP n 
1 141 LEU n 
1 142 GLY n 
1 143 VAL n 
1 144 GLY n 
1 145 VAL n 
1 146 ARG n 
1 147 MET n 
1 148 HIS n 
1 149 SER n 
1 150 GLY n 
1 151 PHE n 
1 152 PRO n 
1 153 GLY n 
1 154 GLU n 
1 155 THR n 
1 156 ALA n 
1 157 GLY n 
1 158 LEU n 
1 159 LEU n 
1 160 ARG n 
1 161 SER n 
1 162 TRP n 
1 163 ARG n 
1 164 ARG n 
1 165 TRP n 
1 166 GLN n 
1 167 LYS n 
1 168 ILE n 
1 169 GLU n 
1 170 GLN n 
1 171 ALA n 
1 172 THR n 
1 173 MET n 
1 174 SER n 
1 175 PHE n 
1 176 GLY n 
1 177 TYR n 
1 178 GLY n 
1 179 LEU n 
1 180 GLN n 
1 181 LEU n 
1 182 SER n 
1 183 LEU n 
1 184 LEU n 
1 185 GLN n 
1 186 LEU n 
1 187 ALA n 
1 188 ARG n 
1 189 ALA n 
1 190 TYR n 
1 191 THR n 
1 192 VAL n 
1 193 LEU n 
1 194 THR n 
1 195 HIS n 
1 196 ASP n 
1 197 GLY n 
1 198 GLU n 
1 199 LEU n 
1 200 LEU n 
1 201 PRO n 
1 202 VAL n 
1 203 SER n 
1 204 PHE n 
1 205 GLU n 
1 206 LYS n 
1 207 GLN n 
1 208 ALA n 
1 209 VAL n 
1 210 ALA n 
1 211 PRO n 
1 212 LYS n 
1 213 GLY n 
1 214 LYS n 
1 215 ARG n 
1 216 VAL n 
1 217 ILE n 
1 218 LYS n 
1 219 ALA n 
1 220 SER n 
1 221 THR n 
1 222 ALA n 
1 223 LYS n 
1 224 LYS n 
1 225 VAL n 
1 226 ARG n 
1 227 GLU n 
1 228 LEU n 
1 229 MET n 
1 230 VAL n 
1 231 SER n 
1 232 VAL n 
1 233 THR n 
1 234 GLU n 
1 235 ALA n 
1 236 GLY n 
1 237 GLY n 
1 238 THR n 
1 239 GLY n 
1 240 THR n 
1 241 ALA n 
1 242 GLY n 
1 243 ALA n 
1 244 VAL n 
1 245 ASP n 
1 246 GLY n 
1 247 PHE n 
1 248 ASP n 
1 249 VAL n 
1 250 GLY n 
1 251 ALA n 
1 252 LYS n 
1 253 THR n 
1 254 GLY n 
1 255 THR n 
1 256 ALA n 
1 257 ARG n 
1 258 LYS n 
1 259 LEU n 
1 260 VAL n 
1 261 ASN n 
1 262 GLY n 
1 263 ARG n 
1 264 TYR n 
1 265 VAL n 
1 266 ASP n 
1 267 TYR n 
1 268 LYS n 
1 269 HIS n 
1 270 VAL n 
1 271 ALA n 
1 272 THR n 
1 273 PHE n 
1 274 ILE n 
1 275 GLY n 
1 276 PHE n 
1 277 ALA n 
1 278 PRO n 
1 279 ALA n 
1 280 LYS n 
1 281 ASN n 
1 282 PRO n 
1 283 ARG n 
1 284 VAL n 
1 285 ILE n 
1 286 VAL n 
1 287 ALA n 
1 288 VAL n 
1 289 THR n 
1 290 ILE n 
1 291 ASP n 
1 292 GLU n 
1 293 PRO n 
1 294 THR n 
1 295 ALA n 
1 296 ASN n 
1 297 GLY n 
1 298 TYR n 
1 299 TYR n 
1 300 SER n 
1 301 GLY n 
1 302 VAL n 
1 303 VAL n 
1 304 THR n 
1 305 GLY n 
1 306 PRO n 
1 307 VAL n 
1 308 PHE n 
1 309 LYS n 
1 310 GLN n 
1 311 VAL n 
1 312 MET n 
1 313 GLY n 
1 314 GLY n 
1 315 SER n 
1 316 LEU n 
1 317 ASN n 
1 318 ILE n 
1 319 LEU n 
1 320 GLY n 
1 321 VAL n 
1 322 SER n 
1 323 PRO n 
1 324 THR n 
1 325 LYS n 
1 326 PRO n 
1 327 LEU n 
1 328 THR n 
1 329 ASN n 
1 330 VAL 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                   330 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 penA 
_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      'Neisseria gonorrhoeae 35/02' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     528346 
_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 BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_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          Plasmid 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       PMALC2KV 
_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 
A1BJB non-polymer         . 
;(3R)-3-({(2R)-2-(4-carboxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl}amino)-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid
;
? 'C25 H25 B N4 O10' 552.298 
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 
GLN   'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'     146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'       147.129 
GLY   'peptide linking'   y GLYCINE ? 'C2 H5 N O2'       75.067  
HIS   'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1'   156.162 
HOH   non-polymer         . WATER ? 'H2 O'             18.015  
ILE   'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'      131.173 
LEU   'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'      131.173 
LYS   'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1'   147.195 
MET   'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'    149.211 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'      165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'       115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'       105.093 
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   GLY 1   232 ?   ?   ?   A . n 
A 1 2   SER 2   233 ?   ?   ?   A . n 
A 1 3   GLY 3   234 ?   ?   ?   A . n 
A 1 4   GLY 4   235 ?   ?   ?   A . n 
A 1 5   ALA 5   236 236 ALA ALA A . n 
A 1 6   LEU 6   237 237 LEU LEU A . n 
A 1 7   SER 7   238 238 SER SER A . n 
A 1 8   LEU 8   239 239 LEU LEU A . n 
A 1 9   ASP 9   240 240 ASP ASP A . n 
A 1 10  GLN 10  241 241 GLN GLN A . n 
A 1 11  ARG 11  242 242 ARG ARG A . n 
A 1 12  ILE 12  243 243 ILE ILE A . n 
A 1 13  GLN 13  244 244 GLN GLN A . n 
A 1 14  THR 14  245 245 THR THR A . n 
A 1 15  LEU 15  246 246 LEU LEU A . n 
A 1 16  ALA 16  247 247 ALA ALA A . n 
A 1 17  TYR 17  248 248 TYR TYR A . n 
A 1 18  GLU 18  249 249 GLU GLU A . n 
A 1 19  GLU 19  250 250 GLU GLU A . n 
A 1 20  LEU 20  251 251 LEU LEU A . n 
A 1 21  ASN 21  252 252 ASN ASN A . n 
A 1 22  LYS 22  253 253 LYS LYS A . n 
A 1 23  ALA 23  254 254 ALA ALA A . n 
A 1 24  VAL 24  255 255 VAL VAL A . n 
A 1 25  GLU 25  256 256 GLU GLU A . n 
A 1 26  TYR 26  257 257 TYR TYR A . n 
A 1 27  HIS 27  258 258 HIS HIS A . n 
A 1 28  GLN 28  259 259 GLN GLN A . n 
A 1 29  ALA 29  260 260 ALA ALA A . n 
A 1 30  LYS 30  261 261 LYS LYS A . n 
A 1 31  ALA 31  262 262 ALA ALA A . n 
A 1 32  GLY 32  263 263 GLY GLY A . n 
A 1 33  THR 33  264 264 THR THR A . n 
A 1 34  VAL 34  265 265 VAL VAL A . n 
A 1 35  VAL 35  266 266 VAL VAL A . n 
A 1 36  VAL 36  267 267 VAL VAL A . n 
A 1 37  LEU 37  268 268 LEU LEU A . n 
A 1 38  ASP 38  269 269 ASP ASP A . n 
A 1 39  ALA 39  270 270 ALA ALA A . n 
A 1 40  ARG 40  271 271 ARG ARG A . n 
A 1 41  THR 41  272 272 THR THR A . n 
A 1 42  GLY 42  273 273 GLY GLY A . n 
A 1 43  GLU 43  274 274 GLU GLU A . n 
A 1 44  ILE 44  275 275 ILE ILE A . n 
A 1 45  LEU 45  276 276 LEU LEU A . n 
A 1 46  ALA 46  277 277 ALA ALA A . n 
A 1 47  LEU 47  278 278 LEU LEU A . n 
A 1 48  VAL 48  279 279 VAL VAL A . n 
A 1 49  ASN 49  280 280 ASN ASN A . n 
A 1 50  THR 50  281 281 THR THR A . n 
A 1 51  PRO 51  282 282 PRO PRO A . n 
A 1 52  GLY 52  297 297 GLY GLY A . n 
A 1 53  ARG 53  298 298 ARG ARG A . n 
A 1 54  ASN 54  299 299 ASN ASN A . n 
A 1 55  ARG 55  300 300 ARG ARG A . n 
A 1 56  ALA 56  301 301 ALA ALA A . n 
A 1 57  VAL 57  302 302 VAL VAL A . n 
A 1 58  THR 58  303 303 THR THR A . n 
A 1 59  ASP 59  304 304 ASP ASP A . n 
A 1 60  MET 60  305 305 MET MET A . n 
A 1 61  ILE 61  306 306 ILE ILE A . n 
A 1 62  GLU 62  307 307 GLU GLU A . n 
A 1 63  PRO 63  308 308 PRO PRO A . n 
A 1 64  GLY 64  309 309 GLY GLY A . n 
A 1 65  SER 65  310 310 SER SER A . n 
A 1 66  ALA 66  311 311 ALA ALA A . n 
A 1 67  MET 67  312 312 MET MET A . n 
A 1 68  LYS 68  313 313 LYS LYS A . n 
A 1 69  PRO 69  314 314 PRO PRO A . n 
A 1 70  PHE 70  315 315 PHE PHE A . n 
A 1 71  THR 71  316 316 THR THR A . n 
A 1 72  ILE 72  317 317 ILE ILE A . n 
A 1 73  ALA 73  318 318 ALA ALA A . n 
A 1 74  LYS 74  319 319 LYS LYS A . n 
A 1 75  ALA 75  320 320 ALA ALA A . n 
A 1 76  LEU 76  321 321 LEU LEU A . n 
A 1 77  ASP 77  322 322 ASP ASP A . n 
A 1 78  SER 78  323 323 SER SER A . n 
A 1 79  GLY 79  324 324 GLY GLY A . n 
A 1 80  LYS 80  325 325 LYS LYS A . n 
A 1 81  VAL 81  326 326 VAL VAL A . n 
A 1 82  ASP 82  327 327 ASP ASP A . n 
A 1 83  ALA 83  328 328 ALA ALA A . n 
A 1 84  THR 84  329 329 THR THR A . n 
A 1 85  ASP 85  330 330 ASP ASP A . n 
A 1 86  THR 86  331 331 THR THR A . n 
A 1 87  PHE 87  332 332 PHE PHE A . n 
A 1 88  ASN 88  333 333 ASN ASN A . n 
A 1 89  THR 89  334 334 THR THR A . n 
A 1 90  LEU 90  335 335 LEU LEU A . n 
A 1 91  PRO 91  336 336 PRO PRO A . n 
A 1 92  TYR 92  337 337 TYR TYR A . n 
A 1 93  LYS 93  338 338 LYS LYS A . n 
A 1 94  ILE 94  339 339 ILE ILE A . n 
A 1 95  GLY 95  340 340 GLY GLY A . n 
A 1 96  SER 96  341 341 SER SER A . n 
A 1 97  ALA 97  342 342 ALA ALA A . n 
A 1 98  THR 98  343 343 THR THR A . n 
A 1 99  VAL 99  344 344 VAL VAL A . n 
A 1 100 GLN 100 345 345 GLN GLN A . n 
A 1 101 ASP 101 346 346 ASP ASP A . n 
A 1 102 THR 102 347 347 THR THR A . n 
A 1 103 HIS 103 348 348 HIS HIS A . n 
A 1 104 VAL 104 349 349 VAL VAL A . n 
A 1 105 TYR 105 350 350 TYR TYR A . n 
A 1 106 PRO 106 351 351 PRO PRO A . n 
A 1 107 THR 107 352 352 THR THR A . n 
A 1 108 LEU 108 353 353 LEU LEU A . n 
A 1 109 ASP 109 354 354 ASP ASP A . n 
A 1 110 VAL 110 355 355 VAL VAL A . n 
A 1 111 ARG 111 356 356 ARG ARG A . n 
A 1 112 GLY 112 357 357 GLY GLY A . n 
A 1 113 ILE 113 358 358 ILE ILE A . n 
A 1 114 MET 114 359 359 MET MET A . n 
A 1 115 GLN 115 360 360 GLN GLN A . n 
A 1 116 LYS 116 361 361 LYS LYS A . n 
A 1 117 SER 117 362 362 SER SER A . n 
A 1 118 SER 118 363 363 SER SER A . n 
A 1 119 ASN 119 364 364 ASN ASN A . n 
A 1 120 VAL 120 365 365 VAL VAL A . n 
A 1 121 GLY 121 366 366 GLY GLY A . n 
A 1 122 THR 122 367 367 THR THR A . n 
A 1 123 SER 123 368 368 SER SER A . n 
A 1 124 LYS 124 369 369 LYS LYS A . n 
A 1 125 LEU 125 370 370 LEU LEU A . n 
A 1 126 SER 126 371 371 SER SER A . n 
A 1 127 ALA 127 372 372 ALA ALA A . n 
A 1 128 MET 128 373 373 MET MET A . n 
A 1 129 PHE 129 374 374 PHE PHE A . n 
A 1 130 THR 130 375 375 THR THR A . n 
A 1 131 PRO 131 376 376 PRO PRO A . n 
A 1 132 LYS 132 377 377 LYS LYS A . n 
A 1 133 GLU 133 378 378 GLU GLU A . n 
A 1 134 MET 134 379 379 MET MET A . n 
A 1 135 TYR 135 380 380 TYR TYR A . n 
A 1 136 ASP 136 381 381 ASP ASP A . n 
A 1 137 PHE 137 382 382 PHE PHE A . n 
A 1 138 TYR 138 383 383 TYR TYR A . n 
A 1 139 HIS 139 384 384 HIS HIS A . n 
A 1 140 ASP 140 385 385 ASP ASP A . n 
A 1 141 LEU 141 386 386 LEU LEU A . n 
A 1 142 GLY 142 387 387 GLY GLY A . n 
A 1 143 VAL 143 388 388 VAL VAL A . n 
A 1 144 GLY 144 389 389 GLY GLY A . n 
A 1 145 VAL 145 390 390 VAL VAL A . n 
A 1 146 ARG 146 391 391 ARG ARG A . n 
A 1 147 MET 147 392 392 MET MET A . n 
A 1 148 HIS 148 393 393 HIS HIS A . n 
A 1 149 SER 149 394 394 SER SER A . n 
A 1 150 GLY 150 395 395 GLY GLY A . n 
A 1 151 PHE 151 396 396 PHE PHE A . n 
A 1 152 PRO 152 397 397 PRO PRO A . n 
A 1 153 GLY 153 398 398 GLY GLY A . n 
A 1 154 GLU 154 399 399 GLU GLU A . n 
A 1 155 THR 155 400 400 THR THR A . n 
A 1 156 ALA 156 401 401 ALA ALA A . n 
A 1 157 GLY 157 402 402 GLY GLY A . n 
A 1 158 LEU 158 403 403 LEU LEU A . n 
A 1 159 LEU 159 404 404 LEU LEU A . n 
A 1 160 ARG 160 405 405 ARG ARG A . n 
A 1 161 SER 161 406 406 SER SER A . n 
A 1 162 TRP 162 407 407 TRP TRP A . n 
A 1 163 ARG 163 408 408 ARG ARG A . n 
A 1 164 ARG 164 409 409 ARG ARG A . n 
A 1 165 TRP 165 410 410 TRP TRP A . n 
A 1 166 GLN 166 411 411 GLN GLN A . n 
A 1 167 LYS 167 412 412 LYS LYS A . n 
A 1 168 ILE 168 413 413 ILE ILE A . n 
A 1 169 GLU 169 414 414 GLU GLU A . n 
A 1 170 GLN 170 415 415 GLN GLN A . n 
A 1 171 ALA 171 416 416 ALA ALA A . n 
A 1 172 THR 172 417 417 THR THR A . n 
A 1 173 MET 173 418 418 MET MET A . n 
A 1 174 SER 174 419 419 SER SER A . n 
A 1 175 PHE 175 420 420 PHE PHE A . n 
A 1 176 GLY 176 421 421 GLY GLY A . n 
A 1 177 TYR 177 422 422 TYR TYR A . n 
A 1 178 GLY 178 423 423 GLY GLY A . n 
A 1 179 LEU 179 424 424 LEU LEU A . n 
A 1 180 GLN 180 425 425 GLN GLN A . n 
A 1 181 LEU 181 426 426 LEU LEU A . n 
A 1 182 SER 182 427 427 SER SER A . n 
A 1 183 LEU 183 428 428 LEU LEU A . n 
A 1 184 LEU 184 429 429 LEU LEU A . n 
A 1 185 GLN 185 430 430 GLN GLN A . n 
A 1 186 LEU 186 431 431 LEU LEU A . n 
A 1 187 ALA 187 432 432 ALA ALA A . n 
A 1 188 ARG 188 433 433 ARG ARG A . n 
A 1 189 ALA 189 434 434 ALA ALA A . n 
A 1 190 TYR 190 435 435 TYR TYR A . n 
A 1 191 THR 191 436 436 THR THR A . n 
A 1 192 VAL 192 437 437 VAL VAL A . n 
A 1 193 LEU 193 438 438 LEU LEU A . n 
A 1 194 THR 194 439 439 THR THR A . n 
A 1 195 HIS 195 440 440 HIS HIS A . n 
A 1 196 ASP 196 441 441 ASP ASP A . n 
A 1 197 GLY 197 442 442 GLY GLY A . n 
A 1 198 GLU 198 443 443 GLU GLU A . n 
A 1 199 LEU 199 444 444 LEU LEU A . n 
A 1 200 LEU 200 445 445 LEU LEU A . n 
A 1 201 PRO 201 446 446 PRO PRO A . n 
A 1 202 VAL 202 447 447 VAL VAL A . n 
A 1 203 SER 203 448 448 SER SER A . n 
A 1 204 PHE 204 449 449 PHE PHE A . n 
A 1 205 GLU 205 450 450 GLU GLU A . n 
A 1 206 LYS 206 451 451 LYS LYS A . n 
A 1 207 GLN 207 452 452 GLN GLN A . n 
A 1 208 ALA 208 453 453 ALA ALA A . n 
A 1 209 VAL 209 454 454 VAL VAL A . n 
A 1 210 ALA 210 455 455 ALA ALA A . n 
A 1 211 PRO 211 456 456 PRO PRO A . n 
A 1 212 LYS 212 457 457 LYS LYS A . n 
A 1 213 GLY 213 458 458 GLY GLY A . n 
A 1 214 LYS 214 459 459 LYS LYS A . n 
A 1 215 ARG 215 460 460 ARG ARG A . n 
A 1 216 VAL 216 461 461 VAL VAL A . n 
A 1 217 ILE 217 462 462 ILE ILE A . n 
A 1 218 LYS 218 463 463 LYS LYS A . n 
A 1 219 ALA 219 464 464 ALA ALA A . n 
A 1 220 SER 220 465 465 SER SER A . n 
A 1 221 THR 221 466 466 THR THR A . n 
A 1 222 ALA 222 467 467 ALA ALA A . n 
A 1 223 LYS 223 468 468 LYS LYS A . n 
A 1 224 LYS 224 469 469 LYS LYS A . n 
A 1 225 VAL 225 470 470 VAL VAL A . n 
A 1 226 ARG 226 471 471 ARG ARG A . n 
A 1 227 GLU 227 472 472 GLU GLU A . n 
A 1 228 LEU 228 473 473 LEU LEU A . n 
A 1 229 MET 229 474 474 MET MET A . n 
A 1 230 VAL 230 475 475 VAL VAL A . n 
A 1 231 SER 231 476 476 SER SER A . n 
A 1 232 VAL 232 477 477 VAL VAL A . n 
A 1 233 THR 233 478 478 THR THR A . n 
A 1 234 GLU 234 479 479 GLU GLU A . n 
A 1 235 ALA 235 480 480 ALA ALA A . n 
A 1 236 GLY 236 481 481 GLY GLY A . n 
A 1 237 GLY 237 482 482 GLY GLY A . n 
A 1 238 THR 238 483 483 THR THR A . n 
A 1 239 GLY 239 484 484 GLY GLY A . n 
A 1 240 THR 240 485 485 THR THR A . n 
A 1 241 ALA 241 486 486 ALA ALA A . n 
A 1 242 GLY 242 487 487 GLY GLY A . n 
A 1 243 ALA 243 488 488 ALA ALA A . n 
A 1 244 VAL 244 489 489 VAL VAL A . n 
A 1 245 ASP 245 490 490 ASP ASP A . n 
A 1 246 GLY 246 491 491 GLY GLY A . n 
A 1 247 PHE 247 492 492 PHE PHE A . n 
A 1 248 ASP 248 493 493 ASP ASP A . n 
A 1 249 VAL 249 494 494 VAL VAL A . n 
A 1 250 GLY 250 495 495 GLY GLY A . n 
A 1 251 ALA 251 496 496 ALA ALA A . n 
A 1 252 LYS 252 497 497 LYS LYS A . n 
A 1 253 THR 253 498 498 THR THR A . n 
A 1 254 GLY 254 499 499 GLY GLY A . n 
A 1 255 THR 255 500 500 THR THR A . n 
A 1 256 ALA 256 501 501 ALA ALA A . n 
A 1 257 ARG 257 502 502 ARG ARG A . n 
A 1 258 LYS 258 503 503 LYS LYS A . n 
A 1 259 LEU 259 504 504 LEU LEU A . n 
A 1 260 VAL 260 505 505 VAL VAL A . n 
A 1 261 ASN 261 506 506 ASN ASN A . n 
A 1 262 GLY 262 507 507 GLY GLY A . n 
A 1 263 ARG 263 508 508 ARG ARG A . n 
A 1 264 TYR 264 509 509 TYR TYR A . n 
A 1 265 VAL 265 510 510 VAL VAL A . n 
A 1 266 ASP 266 511 511 ASP ASP A . n 
A 1 267 TYR 267 512 512 TYR TYR A . n 
A 1 268 LYS 268 513 513 LYS LYS A . n 
A 1 269 HIS 269 514 514 HIS HIS A . n 
A 1 270 VAL 270 515 515 VAL VAL A . n 
A 1 271 ALA 271 516 516 ALA ALA A . n 
A 1 272 THR 272 517 517 THR THR A . n 
A 1 273 PHE 273 518 518 PHE PHE A . n 
A 1 274 ILE 274 519 519 ILE ILE A . n 
A 1 275 GLY 275 520 520 GLY GLY A . n 
A 1 276 PHE 276 521 521 PHE PHE A . n 
A 1 277 ALA 277 522 522 ALA ALA A . n 
A 1 278 PRO 278 523 523 PRO PRO A . n 
A 1 279 ALA 279 524 524 ALA ALA A . n 
A 1 280 LYS 280 525 525 LYS LYS A . n 
A 1 281 ASN 281 526 526 ASN ASN A . n 
A 1 282 PRO 282 527 527 PRO PRO A . n 
A 1 283 ARG 283 528 528 ARG ARG A . n 
A 1 284 VAL 284 529 529 VAL VAL A . n 
A 1 285 ILE 285 530 530 ILE ILE A . n 
A 1 286 VAL 286 531 531 VAL VAL A . n 
A 1 287 ALA 287 532 532 ALA ALA A . n 
A 1 288 VAL 288 533 533 VAL VAL A . n 
A 1 289 THR 289 534 534 THR THR A . n 
A 1 290 ILE 290 535 535 ILE ILE A . n 
A 1 291 ASP 291 536 536 ASP ASP A . n 
A 1 292 GLU 292 537 537 GLU GLU A . n 
A 1 293 PRO 293 538 538 PRO PRO A . n 
A 1 294 THR 294 539 539 THR THR A . n 
A 1 295 ALA 295 540 540 ALA ALA A . n 
A 1 296 ASN 296 541 541 ASN ASN A . n 
A 1 297 GLY 297 542 542 GLY GLY A . n 
A 1 298 TYR 298 543 543 TYR TYR A . n 
A 1 299 TYR 299 544 544 TYR TYR A . n 
A 1 300 SER 300 545 545 SER SER A . n 
A 1 301 GLY 301 546 546 GLY GLY A . n 
A 1 302 VAL 302 547 547 VAL VAL A . n 
A 1 303 VAL 303 548 548 VAL VAL A . n 
A 1 304 THR 304 549 549 THR THR A . n 
A 1 305 GLY 305 550 550 GLY GLY A . n 
A 1 306 PRO 306 551 551 PRO PRO A . n 
A 1 307 VAL 307 552 552 VAL VAL A . n 
A 1 308 PHE 308 553 553 PHE PHE A . n 
A 1 309 LYS 309 554 554 LYS LYS A . n 
A 1 310 GLN 310 555 555 GLN GLN A . n 
A 1 311 VAL 311 556 556 VAL VAL A . n 
A 1 312 MET 312 557 557 MET MET A . n 
A 1 313 GLY 313 558 558 GLY GLY A . n 
A 1 314 GLY 314 559 559 GLY GLY A . n 
A 1 315 SER 315 560 560 SER SER A . n 
A 1 316 LEU 316 561 561 LEU LEU A . n 
A 1 317 ASN 317 562 562 ASN ASN A . n 
A 1 318 ILE 318 563 563 ILE ILE A . n 
A 1 319 LEU 319 564 564 LEU LEU A . n 
A 1 320 GLY 320 565 565 GLY GLY A . n 
A 1 321 VAL 321 566 566 VAL VAL A . n 
A 1 322 SER 322 567 567 SER SER A . n 
A 1 323 PRO 323 568 568 PRO PRO A . n 
A 1 324 THR 324 569 569 THR THR A . n 
A 1 325 LYS 325 570 570 LYS LYS A . n 
A 1 326 PRO 326 571 571 PRO PRO A . n 
A 1 327 LEU 327 572 572 LEU LEU A . n 
A 1 328 THR 328 573 573 THR THR A . n 
A 1 329 ASN 329 574 ?   ?   ?   A . n 
A 1 330 VAL 330 575 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1BJB 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BJB 
_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 A1BJB 1  601 601 A1BJB LIG A . 
C 3 HOH   1  701 7   HOH   HOH A . 
C 3 HOH   2  702 12  HOH   HOH A . 
C 3 HOH   3  703 19  HOH   HOH A . 
C 3 HOH   4  704 3   HOH   HOH A . 
C 3 HOH   5  705 2   HOH   HOH A . 
C 3 HOH   6  706 4   HOH   HOH A . 
C 3 HOH   7  707 13  HOH   HOH A . 
C 3 HOH   8  708 8   HOH   HOH A . 
C 3 HOH   9  709 14  HOH   HOH A . 
C 3 HOH   10 710 11  HOH   HOH A . 
C 3 HOH   11 711 10  HOH   HOH A . 
C 3 HOH   12 712 6   HOH   HOH A . 
C 3 HOH   13 713 15  HOH   HOH A . 
C 3 HOH   14 714 9   HOH   HOH A . 
C 3 HOH   15 715 5   HOH   HOH A . 
C 3 HOH   16 716 1   HOH   HOH A . 
C 3 HOH   17 717 16  HOH   HOH A . 
C 3 HOH   18 718 17  HOH   HOH A . 
C 3 HOH   19 719 18  HOH   HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0352 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .        2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? FFT      ? ? ? .        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                     9MD0 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     50.464 
_cell.length_a_esd                 ? 
_cell.length_b                     60.224 
_cell.length_b_esd                 ? 
_cell.length_c                     110.340 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_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                         9MD0 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_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                   9MD0 
_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             2.4 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          49.1 
_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              9.3 
_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    '40% PEG 600, 0.1 M CHES, PH 9.3' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291 
# 
_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 EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2020-10-17 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.00 
_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                        'APS BEAMLINE 22-ID' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.00 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   22-ID 
_diffrn_source.pdbx_synchrotron_site       APS 
# 
_reflns.B_iso_Wilson_estimate                          29.1 
_reflns.entry_id                                       9MD0 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.6 
_reflns.d_resolution_low                               38.7 
_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                                     10571 
_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                     0.0 
_reflns.observed_criterion_sigma_I                     0.0 
_reflns.percent_possible_obs                           98.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                7.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          14.1 
_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                                0.215 
_reflns.pdbx_Rpim_I_all                                0.080 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.988 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.199 
_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                                    2.6 
_reflns_shell.d_res_low                                     2.7 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           4.2 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             975 
_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                               7.4 
_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                               0.769 
_reflns_shell.pdbx_Rpim_I_all                               0.283 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.831 
_reflns_shell.pdbx_CC_star                                  0.953 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          94.3 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.713 
_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]                            0.113 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -0.149 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.037 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               28.8 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.946 
_refine.correlation_coeff_Fo_to_Fc_free          0.911 
_refine.details                                  ? 
_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                                 9MD0 
_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                            2.613 
_refine.ls_d_res_low                             38.680 
_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                     10570 
_refine.ls_number_reflns_R_free                  514 
_refine.ls_number_reflns_R_work                  10056 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.850 
_refine.ls_percent_reflns_R_free                 4.863 
_refine.ls_R_factor_all                          0.178 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2319 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1749 
_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               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'FOURIER SYNTHESIS' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  0.310 
_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                             10.229 
_refine.overall_SU_ML                            0.218 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.613 
_refine_hist.d_res_low                        38.680 
_refine_hist.number_atoms_solvent             19 
_refine_hist.number_atoms_total               2509 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        2450 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         40 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.008  0.012  2560 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  2404 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.57   1.676  3479 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.518  1.574  5590 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.545  5.000  329  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 7.623  5.000  15   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.713 10.000 426  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.555 10.000 95   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.068  0.200  400  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.007  0.020  2911 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  493  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.217  0.200  480  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.193  0.200  2169 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.180  0.200  1263 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.081  0.200  1399 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.102  0.200  51   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.149  0.200  2    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.218  0.200  20   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.208  0.200  4    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 2.503  2.765  1304 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.504  2.765  1304 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.916  4.138  1631 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.914  4.140  1632 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.155  3.196  1256 ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.155  3.194  1253 ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.874  4.648  1846 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.872  4.649  1847 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.334  33.128 2740 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.333  33.129 2741 ? 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' 2.613  2.680  759 . 32 668 92.2266  . 0.230 . . 0.227 . . . . . 0.198 . 20 . 0.969 0.942 0.294 
'X-RAY DIFFRACTION' 2.680  2.753  746 . 32 714 100.0000 . 0.211 . . 0.208 . . . . . 0.176 . 20 . 0.973 0.956 0.276 
'X-RAY DIFFRACTION' 2.753  2.833  733 . 33 698 99.7271  . 0.218 . . 0.213 . . . . . 0.176 . 20 . 0.973 0.948 0.329 
'X-RAY DIFFRACTION' 2.833  2.919  709 . 35 674 100.0000 . 0.205 . . 0.203 . . . . . 0.172 . 20 . 0.975 0.968 0.246 
'X-RAY DIFFRACTION' 2.919  3.015  704 . 45 659 100.0000 . 0.209 . . 0.205 . . . . . 0.173 . 20 . 0.974 0.957 0.262 
'X-RAY DIFFRACTION' 3.015  3.120  664 . 30 634 100.0000 . 0.178 . . 0.174 . . . . . 0.151 . 20 . 0.978 0.963 0.244 
'X-RAY DIFFRACTION' 3.120  3.237  636 . 24 612 100.0000 . 0.175 . . 0.174 . . . . . 0.152 . 20 . 0.981 0.959 0.211 
'X-RAY DIFFRACTION' 3.237  3.368  639 . 30 608 99.8435  . 0.182 . . 0.178 . . . . . 0.158 . 20 . 0.980 0.961 0.266 
'X-RAY DIFFRACTION' 3.368  3.516  592 . 34 558 100.0000 . 0.189 . . 0.186 . . . . . 0.166 . 20 . 0.979 0.959 0.250 
'X-RAY DIFFRACTION' 3.516  3.686  575 . 32 542 99.8261  . 0.171 . . 0.167 . . . . . 0.153 . 20 . 0.984 0.954 0.230 
'X-RAY DIFFRACTION' 3.686  3.884  555 . 42 506 98.7387  . 0.163 . . 0.158 . . . . . 0.148 . 20 . 0.986 0.972 0.221 
'X-RAY DIFFRACTION' 3.884  4.117  521 . 20 496 99.0403  . 0.149 . . 0.148 . . . . . 0.142 . 20 . 0.987 0.984 0.187 
'X-RAY DIFFRACTION' 4.117  4.398  496 . 24 462 97.9839  . 0.142 . . 0.140 . . . . . 0.130 . 20 . 0.988 0.974 0.191 
'X-RAY DIFFRACTION' 4.398  4.745  461 . 24 426 97.6139  . 0.136 . . 0.135 . . . . . 0.134 . 20 . 0.989 0.974 0.166 
'X-RAY DIFFRACTION' 4.745  5.190  439 . 12 408 95.6720  . 0.167 . . 0.163 . . . . . 0.159 . 20 . 0.989 0.958 0.336 
'X-RAY DIFFRACTION' 5.190  5.790  388 . 18 370 100.0000 . 0.188 . . 0.184 . . . . . 0.170 . 20 . 0.980 0.973 0.252 
'X-RAY DIFFRACTION' 5.790  6.660  353 . 18 335 100.0000 . 0.173 . . 0.170 . . . . . 0.163 . 20 . 0.983 0.951 0.266 
'X-RAY DIFFRACTION' 6.660  8.097  307 . 15 292 100.0000 . 0.160 . . 0.157 . . . . . 0.154 . 20 . 0.985 0.971 0.224 
'X-RAY DIFFRACTION' 8.097  11.209 249 . 11 237 99.5984  . 0.147 . . 0.148 . . . . . 0.152 . 20 . 0.985 0.996 0.129 
'X-RAY DIFFRACTION' 11.209 38.680 162 . 3  156 98.1481  . 0.279 . . 0.281 . . . . . 0.297 . 20 . 0.960 0.958 0.175 
# 
_struct.entry_id                     9MD0 
_struct.title                        
;Crystal structure of the transpeptidase domain of PBP2 from the Neisseria gonorrhoeae cephalosporin decreased susceptibility strain 35/02 in complex with boronate inhibitor VNRX-6752
;
_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        9MD0 
_struct_keywords.text            
'Neisseria gonorrhoeae cephalosporin resistance Penicillin-binding protein 2 Boronate inhibitor, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q8RR30_NEIGO 
_struct_ref.pdbx_db_accession          Q8RR30 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;LSLDQRIQTLAYEELNKAVEYHQAKAGTVVVLDARTGEILALVNTPAYEPNKPGQADSEQRRNRAVTDMIEPGSAMKPFT
IAKALDSGKVDATDTFNTLPYKIGSATVQDTHVYPTLDVRGIMQKSSNVGTSKLSAMFTPKEMYDFYHDLGVGVRMHSGF
PGETAGLLRSWRRWQKIEQATMSFGYGLQLSLLQLARAYTVLTHDGELLPVSFEKQAVAPKGKRVIKASTAKKVRELMVS
VTEAGGTGTAGAVDGFDVGAKTGTARKLVNGRYVDYKHVATFIGFAPAKNPRVIVAVTIDEPTANGYYSGVVTGPVFKQV
MGGSLNILGVSPTKPLTNV
;
_struct_ref.pdbx_align_begin           237 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9MD0 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 6 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 330 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q8RR30 
_struct_ref_seq.db_align_beg                  237 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  575 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       237 
_struct_ref_seq.pdbx_auth_seq_align_end       575 
# 
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 9MD0 GLY A 1  ? UNP Q8RR30 ?   ?   'expression tag' 232 1  
1 9MD0 SER A 2  ? UNP Q8RR30 ?   ?   'expression tag' 233 2  
1 9MD0 GLY A 3  ? UNP Q8RR30 ?   ?   'expression tag' 234 3  
1 9MD0 GLY A 4  ? UNP Q8RR30 ?   ?   'expression tag' 235 4  
1 9MD0 ALA A 5  ? UNP Q8RR30 ?   ?   'expression tag' 236 5  
1 9MD0 GLY A 52 ? UNP Q8RR30 ALA 283 conflict         297 6  
1 9MD0 ?   A ?  ? UNP Q8RR30 TYR 284 deletion         ?   7  
1 9MD0 ?   A ?  ? UNP Q8RR30 GLU 285 deletion         ?   8  
1 9MD0 ?   A ?  ? UNP Q8RR30 PRO 286 deletion         ?   9  
1 9MD0 ?   A ?  ? UNP Q8RR30 ASN 287 deletion         ?   10 
1 9MD0 ?   A ?  ? UNP Q8RR30 LYS 288 deletion         ?   11 
1 9MD0 ?   A ?  ? UNP Q8RR30 PRO 289 deletion         ?   12 
1 9MD0 ?   A ?  ? UNP Q8RR30 GLY 290 deletion         ?   13 
1 9MD0 ?   A ?  ? UNP Q8RR30 GLN 291 deletion         ?   14 
1 9MD0 ?   A ?  ? UNP Q8RR30 ALA 292 deletion         ?   15 
1 9MD0 ?   A ?  ? UNP Q8RR30 ASP 293 deletion         ?   16 
1 9MD0 ?   A ?  ? UNP Q8RR30 SER 294 deletion         ?   17 
1 9MD0 ?   A ?  ? UNP Q8RR30 GLU 295 deletion         ?   18 
1 9MD0 ?   A ?  ? UNP Q8RR30 GLN 296 deletion         ?   19 
1 9MD0 ?   A ?  ? UNP Q8RR30 ARG 297 deletion         ?   20 
# 
_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   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1  AA1 ASP A 9   ? HIS A 27  ? ASP A 240 HIS A 258 1 ? 19 
HELX_P HELX_P2  AA2 ASN A 54  ? ASP A 59  ? ASN A 299 ASP A 304 1 ? 6  
HELX_P HELX_P3  AA3 PRO A 63  ? ALA A 66  ? PRO A 308 ALA A 311 5 ? 4  
HELX_P HELX_P4  AA4 MET A 67  ? SER A 78  ? MET A 312 SER A 323 1 ? 12 
HELX_P HELX_P5  AA5 VAL A 110 ? SER A 117 ? VAL A 355 SER A 362 1 ? 8  
HELX_P HELX_P6  AA6 SER A 118 ? ALA A 127 ? SER A 363 ALA A 372 1 ? 10 
HELX_P HELX_P7  AA7 THR A 130 ? LEU A 141 ? THR A 375 LEU A 386 1 ? 12 
HELX_P HELX_P8  AA8 SER A 161 ? TRP A 165 ? SER A 406 TRP A 410 5 ? 5  
HELX_P HELX_P9  AA9 GLN A 166 ? PHE A 175 ? GLN A 411 PHE A 420 1 ? 10 
HELX_P HELX_P10 AB1 SER A 182 ? TYR A 190 ? SER A 427 TYR A 435 1 ? 9  
HELX_P HELX_P11 AB2 TYR A 190 ? HIS A 195 ? TYR A 435 HIS A 440 1 ? 6  
HELX_P HELX_P12 AB3 LYS A 218 ? VAL A 230 ? LYS A 463 VAL A 475 1 ? 13 
HELX_P HELX_P13 AB4 SER A 231 ? THR A 233 ? SER A 476 THR A 478 5 ? 3  
HELX_P HELX_P14 AB5 GLY A 239 ? ALA A 243 ? GLY A 484 ALA A 488 5 ? 5  
HELX_P HELX_P15 AB6 TYR A 299 ? THR A 304 ? TYR A 544 THR A 549 1 ? 6  
HELX_P HELX_P16 AB7 THR A 304 ? GLY A 320 ? THR A 549 GLY A 565 1 ? 17 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_conn.id                            covale1 
_struct_conn.conn_type_id                  covale 
_struct_conn.pdbx_leaving_atom_flag        none 
_struct_conn.pdbx_PDB_id                   ? 
_struct_conn.ptnr1_label_asym_id           A 
_struct_conn.ptnr1_label_comp_id           SER 
_struct_conn.ptnr1_label_seq_id            65 
_struct_conn.ptnr1_label_atom_id           OG 
_struct_conn.pdbx_ptnr1_label_alt_id       ? 
_struct_conn.pdbx_ptnr1_PDB_ins_code       ? 
_struct_conn.pdbx_ptnr1_standard_comp_id   ? 
_struct_conn.ptnr1_symmetry                1_555 
_struct_conn.ptnr2_label_asym_id           B 
_struct_conn.ptnr2_label_comp_id           A1BJB 
_struct_conn.ptnr2_label_seq_id            . 
_struct_conn.ptnr2_label_atom_id           B02 
_struct_conn.pdbx_ptnr2_label_alt_id       ? 
_struct_conn.pdbx_ptnr2_PDB_ins_code       ? 
_struct_conn.ptnr1_auth_asym_id            A 
_struct_conn.ptnr1_auth_comp_id            SER 
_struct_conn.ptnr1_auth_seq_id             310 
_struct_conn.ptnr2_auth_asym_id            A 
_struct_conn.ptnr2_auth_comp_id            A1BJB 
_struct_conn.ptnr2_auth_seq_id             601 
_struct_conn.ptnr2_symmetry                1_555 
_struct_conn.pdbx_ptnr3_label_atom_id      ? 
_struct_conn.pdbx_ptnr3_label_seq_id       ? 
_struct_conn.pdbx_ptnr3_label_comp_id      ? 
_struct_conn.pdbx_ptnr3_label_asym_id      ? 
_struct_conn.pdbx_ptnr3_label_alt_id       ? 
_struct_conn.pdbx_ptnr3_PDB_ins_code       ? 
_struct_conn.details                       ? 
_struct_conn.pdbx_dist_value               1.408 
_struct_conn.pdbx_value_order              ? 
_struct_conn.pdbx_role                     ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_pdbx_modification_feature.ordinal                            1 
_pdbx_modification_feature.label_comp_id                      A1BJB 
_pdbx_modification_feature.label_asym_id                      B 
_pdbx_modification_feature.label_seq_id                       . 
_pdbx_modification_feature.label_alt_id                       ? 
_pdbx_modification_feature.modified_residue_label_comp_id     SER 
_pdbx_modification_feature.modified_residue_label_asym_id     A 
_pdbx_modification_feature.modified_residue_label_seq_id      65 
_pdbx_modification_feature.modified_residue_label_alt_id      ? 
_pdbx_modification_feature.auth_comp_id                       A1BJB 
_pdbx_modification_feature.auth_asym_id                       A 
_pdbx_modification_feature.auth_seq_id                        601 
_pdbx_modification_feature.PDB_ins_code                       ? 
_pdbx_modification_feature.symmetry                           1_555 
_pdbx_modification_feature.modified_residue_auth_comp_id      SER 
_pdbx_modification_feature.modified_residue_auth_asym_id      A 
_pdbx_modification_feature.modified_residue_auth_seq_id       310 
_pdbx_modification_feature.modified_residue_PDB_ins_code      ? 
_pdbx_modification_feature.modified_residue_symmetry          1_555 
_pdbx_modification_feature.comp_id_linking_atom               B02 
_pdbx_modification_feature.modified_residue_id_linking_atom   OG 
_pdbx_modification_feature.modified_residue_id                SER 
_pdbx_modification_feature.ref_pcm_id                         1 
_pdbx_modification_feature.ref_comp_id                        A1BJB 
_pdbx_modification_feature.type                               None 
_pdbx_modification_feature.category                           'Covalent chemical modification' 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          ALA 
_struct_mon_prot_cis.label_seq_id           277 
_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           ALA 
_struct_mon_prot_cis.auth_seq_id            522 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    278 
_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     523 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -12.97 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 5 ? 
AA2 ? 2 ? 
AA3 ? 2 ? 
AA4 ? 2 ? 
# 
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 
AA2 1 2 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA4 1 2 ? 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 ILE A 44  ? ASN A 49  ? ILE A 275 ASN A 280 
AA1 2 ALA A 29  ? ASP A 38  ? ALA A 260 ASP A 269 
AA1 3 VAL A 284 ? PRO A 293 ? VAL A 529 PRO A 538 
AA1 4 ARG A 263 ? ALA A 277 ? ARG A 508 ALA A 522 
AA1 5 GLY A 250 ? VAL A 260 ? GLY A 495 VAL A 505 
AA2 1 THR A 86  ? ASN A 88  ? THR A 331 ASN A 333 
AA2 2 THR A 107 ? ASP A 109 ? THR A 352 ASP A 354 
AA3 1 TYR A 92  ? ILE A 94  ? TYR A 337 ILE A 339 
AA3 2 ALA A 97  ? VAL A 99  ? ALA A 342 VAL A 344 
AA4 1 GLU A 198 ? LEU A 199 ? GLU A 443 LEU A 444 
AA4 2 LYS A 214 ? ARG A 215 ? LYS A 459 ARG A 460 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 O ALA A 46  ? O ALA A 277 N VAL A 36  ? N VAL A 267 
AA1 2 3 N ALA A 31  ? N ALA A 262 O ASP A 291 ? O ASP A 536 
AA1 3 4 O ILE A 290 ? O ILE A 535 N ALA A 271 ? N ALA A 516 
AA1 4 5 O PHE A 276 ? O PHE A 521 N GLY A 250 ? N GLY A 495 
AA2 1 2 N PHE A 87  ? N PHE A 332 O LEU A 108 ? O LEU A 353 
AA3 1 2 N TYR A 92  ? N TYR A 337 O VAL A 99  ? O VAL A 344 
AA4 1 2 N LEU A 199 ? N LEU A 444 O LYS A 214 ? O LYS A 459 
# 
_pdbx_entry_details.entry_id                   9MD0 
_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   Y 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   OG 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   SER 
_pdbx_validate_close_contact.auth_seq_id_1    310 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O03 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   A1BJB 
_pdbx_validate_close_contact.auth_seq_id_2    601 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.07 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 LEU A 278 ? ? -162.53 118.75 
2 1 HIS A 440 ? ? -106.13 48.64  
3 1 ASN A 506 ? ? 32.50   76.10  
4 1 ASN A 541 ? ? 76.74   40.96  
5 1 TYR A 543 ? ? -141.19 -14.03 
# 
_pdbx_validate_peptide_omega.id               1 
_pdbx_validate_peptide_omega.PDB_model_num    1 
_pdbx_validate_peptide_omega.auth_comp_id_1   PHE 
_pdbx_validate_peptide_omega.auth_asym_id_1   A 
_pdbx_validate_peptide_omega.auth_seq_id_1    420 
_pdbx_validate_peptide_omega.PDB_ins_code_1   ? 
_pdbx_validate_peptide_omega.label_alt_id_1   ? 
_pdbx_validate_peptide_omega.auth_comp_id_2   GLY 
_pdbx_validate_peptide_omega.auth_asym_id_2   A 
_pdbx_validate_peptide_omega.auth_seq_id_2    421 
_pdbx_validate_peptide_omega.PDB_ins_code_2   ? 
_pdbx_validate_peptide_omega.label_alt_id_2   ? 
_pdbx_validate_peptide_omega.omega            149.15 
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    ARG 
_pdbx_validate_planes.auth_asym_id    A 
_pdbx_validate_planes.auth_seq_id     528 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.label_alt_id    ? 
_pdbx_validate_planes.rmsd            0.086 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
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 A GLY 232 ? A GLY 1   
2 1 Y 1 A SER 233 ? A SER 2   
3 1 Y 1 A GLY 234 ? A GLY 3   
4 1 Y 1 A GLY 235 ? A GLY 4   
5 1 Y 1 A ASN 574 ? A ASN 329 
6 1 Y 1 A VAL 575 ? A VAL 330 
# 
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 
A1BJB C10  C N N 1   
A1BJB N12  N N N 2   
A1BJB C13  C N N 3   
A1BJB C15  C N R 4   
A1BJB C17  C N N 5   
A1BJB C20  C N N 6   
A1BJB C21  C N N 7   
A1BJB C24  C N N 8   
A1BJB O01  O N N 9   
A1BJB B02  B N N 10  
A1BJB O03  O N N 11  
A1BJB C04  C Y N 12  
A1BJB C05  C Y N 13  
A1BJB C06  C Y N 14  
A1BJB C07  C Y N 15  
A1BJB C08  C Y N 16  
A1BJB C09  C Y N 17  
A1BJB C11  C N R 18  
A1BJB O14  O N N 19  
A1BJB N16  N N N 20  
A1BJB O18  O N N 21  
A1BJB N19  N N N 22  
A1BJB N22  N N N 23  
A1BJB C23  C N N 24  
A1BJB C25  C N N 25  
A1BJB O26  O N N 26  
A1BJB C27  C N N 27  
A1BJB O28  O N N 28  
A1BJB C29  C Y N 29  
A1BJB C30  C Y N 30  
A1BJB C31  C Y N 31  
A1BJB C32  C Y N 32  
A1BJB C33  C Y N 33  
A1BJB C34  C Y N 34  
A1BJB C35  C N N 35  
A1BJB O36  O N N 36  
A1BJB O37  O N N 37  
A1BJB C38  C N N 38  
A1BJB O39  O N N 39  
A1BJB O40  O N N 40  
A1BJB H1   H N N 41  
A1BJB H2   H N N 42  
A1BJB H3   H N N 43  
A1BJB H4   H N N 44  
A1BJB H5   H N N 45  
A1BJB H6   H N N 46  
A1BJB H7   H N N 47  
A1BJB H8   H N N 48  
A1BJB H9   H N N 49  
A1BJB H10  H N N 50  
A1BJB H11  H N N 51  
A1BJB H12  H N N 52  
A1BJB H13  H N N 53  
A1BJB H14  H N N 54  
A1BJB H15  H N N 55  
A1BJB H16  H N N 56  
A1BJB H17  H N N 57  
A1BJB H18  H N N 58  
A1BJB H19  H N N 59  
A1BJB H20  H N N 60  
A1BJB H21  H N N 61  
A1BJB H22  H N N 62  
A1BJB H23  H N N 63  
A1BJB H24  H N N 64  
A1BJB H25  H N N 65  
ALA   N    N N N 66  
ALA   CA   C N S 67  
ALA   C    C N N 68  
ALA   O    O N N 69  
ALA   CB   C N N 70  
ALA   OXT  O N N 71  
ALA   H    H N N 72  
ALA   H2   H N N 73  
ALA   HA   H N N 74  
ALA   HB1  H N N 75  
ALA   HB2  H N N 76  
ALA   HB3  H N N 77  
ALA   HXT  H N N 78  
ARG   N    N N N 79  
ARG   CA   C N S 80  
ARG   C    C N N 81  
ARG   O    O N N 82  
ARG   CB   C N N 83  
ARG   CG   C N N 84  
ARG   CD   C N N 85  
ARG   NE   N N N 86  
ARG   CZ   C N N 87  
ARG   NH1  N N N 88  
ARG   NH2  N N N 89  
ARG   OXT  O N N 90  
ARG   H    H N N 91  
ARG   H2   H N N 92  
ARG   HA   H N N 93  
ARG   HB2  H N N 94  
ARG   HB3  H N N 95  
ARG   HG2  H N N 96  
ARG   HG3  H N N 97  
ARG   HD2  H N N 98  
ARG   HD3  H N N 99  
ARG   HE   H N N 100 
ARG   HH11 H N N 101 
ARG   HH12 H N N 102 
ARG   HH21 H N N 103 
ARG   HH22 H N N 104 
ARG   HXT  H N N 105 
ASN   N    N N N 106 
ASN   CA   C N S 107 
ASN   C    C N N 108 
ASN   O    O N N 109 
ASN   CB   C N N 110 
ASN   CG   C N N 111 
ASN   OD1  O N N 112 
ASN   ND2  N N N 113 
ASN   OXT  O N N 114 
ASN   H    H N N 115 
ASN   H2   H N N 116 
ASN   HA   H N N 117 
ASN   HB2  H N N 118 
ASN   HB3  H N N 119 
ASN   HD21 H N N 120 
ASN   HD22 H N N 121 
ASN   HXT  H N N 122 
ASP   N    N N N 123 
ASP   CA   C N S 124 
ASP   C    C N N 125 
ASP   O    O N N 126 
ASP   CB   C N N 127 
ASP   CG   C N N 128 
ASP   OD1  O N N 129 
ASP   OD2  O N N 130 
ASP   OXT  O N N 131 
ASP   H    H N N 132 
ASP   H2   H N N 133 
ASP   HA   H N N 134 
ASP   HB2  H N N 135 
ASP   HB3  H N N 136 
ASP   HD2  H N N 137 
ASP   HXT  H N N 138 
GLN   N    N N N 139 
GLN   CA   C N S 140 
GLN   C    C N N 141 
GLN   O    O N N 142 
GLN   CB   C N N 143 
GLN   CG   C N N 144 
GLN   CD   C N N 145 
GLN   OE1  O N N 146 
GLN   NE2  N N N 147 
GLN   OXT  O N N 148 
GLN   H    H N N 149 
GLN   H2   H N N 150 
GLN   HA   H N N 151 
GLN   HB2  H N N 152 
GLN   HB3  H N N 153 
GLN   HG2  H N N 154 
GLN   HG3  H N N 155 
GLN   HE21 H N N 156 
GLN   HE22 H N N 157 
GLN   HXT  H N N 158 
GLU   N    N N N 159 
GLU   CA   C N S 160 
GLU   C    C N N 161 
GLU   O    O N N 162 
GLU   CB   C N N 163 
GLU   CG   C N N 164 
GLU   CD   C N N 165 
GLU   OE1  O N N 166 
GLU   OE2  O N N 167 
GLU   OXT  O N N 168 
GLU   H    H N N 169 
GLU   H2   H N N 170 
GLU   HA   H N N 171 
GLU   HB2  H N N 172 
GLU   HB3  H N N 173 
GLU   HG2  H N N 174 
GLU   HG3  H N N 175 
GLU   HE2  H N N 176 
GLU   HXT  H N N 177 
GLY   N    N N N 178 
GLY   CA   C N N 179 
GLY   C    C N N 180 
GLY   O    O N N 181 
GLY   OXT  O N N 182 
GLY   H    H N N 183 
GLY   H2   H N N 184 
GLY   HA2  H N N 185 
GLY   HA3  H N N 186 
GLY   HXT  H N N 187 
HIS   N    N N N 188 
HIS   CA   C N S 189 
HIS   C    C N N 190 
HIS   O    O N N 191 
HIS   CB   C N N 192 
HIS   CG   C Y N 193 
HIS   ND1  N Y N 194 
HIS   CD2  C Y N 195 
HIS   CE1  C Y N 196 
HIS   NE2  N Y N 197 
HIS   OXT  O N N 198 
HIS   H    H N N 199 
HIS   H2   H N N 200 
HIS   HA   H N N 201 
HIS   HB2  H N N 202 
HIS   HB3  H N N 203 
HIS   HD1  H N N 204 
HIS   HD2  H N N 205 
HIS   HE1  H N N 206 
HIS   HE2  H N N 207 
HIS   HXT  H N N 208 
HOH   O    O N N 209 
HOH   H1   H N N 210 
HOH   H2   H N N 211 
ILE   N    N N N 212 
ILE   CA   C N S 213 
ILE   C    C N N 214 
ILE   O    O N N 215 
ILE   CB   C N S 216 
ILE   CG1  C N N 217 
ILE   CG2  C N N 218 
ILE   CD1  C N N 219 
ILE   OXT  O N N 220 
ILE   H    H N N 221 
ILE   H2   H N N 222 
ILE   HA   H N N 223 
ILE   HB   H N N 224 
ILE   HG12 H N N 225 
ILE   HG13 H N N 226 
ILE   HG21 H N N 227 
ILE   HG22 H N N 228 
ILE   HG23 H N N 229 
ILE   HD11 H N N 230 
ILE   HD12 H N N 231 
ILE   HD13 H N N 232 
ILE   HXT  H N N 233 
LEU   N    N N N 234 
LEU   CA   C N S 235 
LEU   C    C N N 236 
LEU   O    O N N 237 
LEU   CB   C N N 238 
LEU   CG   C N N 239 
LEU   CD1  C N N 240 
LEU   CD2  C N N 241 
LEU   OXT  O N N 242 
LEU   H    H N N 243 
LEU   H2   H N N 244 
LEU   HA   H N N 245 
LEU   HB2  H N N 246 
LEU   HB3  H N N 247 
LEU   HG   H N N 248 
LEU   HD11 H N N 249 
LEU   HD12 H N N 250 
LEU   HD13 H N N 251 
LEU   HD21 H N N 252 
LEU   HD22 H N N 253 
LEU   HD23 H N N 254 
LEU   HXT  H N N 255 
LYS   N    N N N 256 
LYS   CA   C N S 257 
LYS   C    C N N 258 
LYS   O    O N N 259 
LYS   CB   C N N 260 
LYS   CG   C N N 261 
LYS   CD   C N N 262 
LYS   CE   C N N 263 
LYS   NZ   N N N 264 
LYS   OXT  O N N 265 
LYS   H    H N N 266 
LYS   H2   H N N 267 
LYS   HA   H N N 268 
LYS   HB2  H N N 269 
LYS   HB3  H N N 270 
LYS   HG2  H N N 271 
LYS   HG3  H N N 272 
LYS   HD2  H N N 273 
LYS   HD3  H N N 274 
LYS   HE2  H N N 275 
LYS   HE3  H N N 276 
LYS   HZ1  H N N 277 
LYS   HZ2  H N N 278 
LYS   HZ3  H N N 279 
LYS   HXT  H N N 280 
MET   N    N N N 281 
MET   CA   C N S 282 
MET   C    C N N 283 
MET   O    O N N 284 
MET   CB   C N N 285 
MET   CG   C N N 286 
MET   SD   S N N 287 
MET   CE   C N N 288 
MET   OXT  O N N 289 
MET   H    H N N 290 
MET   H2   H N N 291 
MET   HA   H N N 292 
MET   HB2  H N N 293 
MET   HB3  H N N 294 
MET   HG2  H N N 295 
MET   HG3  H N N 296 
MET   HE1  H N N 297 
MET   HE2  H N N 298 
MET   HE3  H N N 299 
MET   HXT  H N N 300 
PHE   N    N N N 301 
PHE   CA   C N S 302 
PHE   C    C N N 303 
PHE   O    O N N 304 
PHE   CB   C N N 305 
PHE   CG   C Y N 306 
PHE   CD1  C Y N 307 
PHE   CD2  C Y N 308 
PHE   CE1  C Y N 309 
PHE   CE2  C Y N 310 
PHE   CZ   C Y N 311 
PHE   OXT  O N N 312 
PHE   H    H N N 313 
PHE   H2   H N N 314 
PHE   HA   H N N 315 
PHE   HB2  H N N 316 
PHE   HB3  H N N 317 
PHE   HD1  H N N 318 
PHE   HD2  H N N 319 
PHE   HE1  H N N 320 
PHE   HE2  H N N 321 
PHE   HZ   H N N 322 
PHE   HXT  H N N 323 
PRO   N    N N N 324 
PRO   CA   C N S 325 
PRO   C    C N N 326 
PRO   O    O N N 327 
PRO   CB   C N N 328 
PRO   CG   C N N 329 
PRO   CD   C N N 330 
PRO   OXT  O N N 331 
PRO   H    H N N 332 
PRO   HA   H N N 333 
PRO   HB2  H N N 334 
PRO   HB3  H N N 335 
PRO   HG2  H N N 336 
PRO   HG3  H N N 337 
PRO   HD2  H N N 338 
PRO   HD3  H N N 339 
PRO   HXT  H N N 340 
SER   N    N N N 341 
SER   CA   C N S 342 
SER   C    C N N 343 
SER   O    O N N 344 
SER   CB   C N N 345 
SER   OG   O N N 346 
SER   OXT  O N N 347 
SER   H    H N N 348 
SER   H2   H N N 349 
SER   HA   H N N 350 
SER   HB2  H N N 351 
SER   HB3  H N N 352 
SER   HG   H N N 353 
SER   HXT  H N N 354 
THR   N    N N N 355 
THR   CA   C N S 356 
THR   C    C N N 357 
THR   O    O N N 358 
THR   CB   C N R 359 
THR   OG1  O N N 360 
THR   CG2  C N N 361 
THR   OXT  O N N 362 
THR   H    H N N 363 
THR   H2   H N N 364 
THR   HA   H N N 365 
THR   HB   H N N 366 
THR   HG1  H N N 367 
THR   HG21 H N N 368 
THR   HG22 H N N 369 
THR   HG23 H N N 370 
THR   HXT  H N N 371 
TRP   N    N N N 372 
TRP   CA   C N S 373 
TRP   C    C N N 374 
TRP   O    O N N 375 
TRP   CB   C N N 376 
TRP   CG   C Y N 377 
TRP   CD1  C Y N 378 
TRP   CD2  C Y N 379 
TRP   NE1  N Y N 380 
TRP   CE2  C Y N 381 
TRP   CE3  C Y N 382 
TRP   CZ2  C Y N 383 
TRP   CZ3  C Y N 384 
TRP   CH2  C Y N 385 
TRP   OXT  O N N 386 
TRP   H    H N N 387 
TRP   H2   H N N 388 
TRP   HA   H N N 389 
TRP   HB2  H N N 390 
TRP   HB3  H N N 391 
TRP   HD1  H N N 392 
TRP   HE1  H N N 393 
TRP   HE3  H N N 394 
TRP   HZ2  H N N 395 
TRP   HZ3  H N N 396 
TRP   HH2  H N N 397 
TRP   HXT  H N N 398 
TYR   N    N N N 399 
TYR   CA   C N S 400 
TYR   C    C N N 401 
TYR   O    O N N 402 
TYR   CB   C N N 403 
TYR   CG   C Y N 404 
TYR   CD1  C Y N 405 
TYR   CD2  C Y N 406 
TYR   CE1  C Y N 407 
TYR   CE2  C Y N 408 
TYR   CZ   C Y N 409 
TYR   OH   O N N 410 
TYR   OXT  O N N 411 
TYR   H    H N N 412 
TYR   H2   H N N 413 
TYR   HA   H N N 414 
TYR   HB2  H N N 415 
TYR   HB3  H N N 416 
TYR   HD1  H N N 417 
TYR   HD2  H N N 418 
TYR   HE1  H N N 419 
TYR   HE2  H N N 420 
TYR   HH   H N N 421 
TYR   HXT  H N N 422 
VAL   N    N N N 423 
VAL   CA   C N S 424 
VAL   C    C N N 425 
VAL   O    O N N 426 
VAL   CB   C N N 427 
VAL   CG1  C N N 428 
VAL   CG2  C N N 429 
VAL   OXT  O N N 430 
VAL   H    H N N 431 
VAL   H2   H N N 432 
VAL   HA   H N N 433 
VAL   HB   H N N 434 
VAL   HG11 H N N 435 
VAL   HG12 H N N 436 
VAL   HG13 H N N 437 
VAL   HG21 H N N 438 
VAL   HG22 H N N 439 
VAL   HG23 H N N 440 
VAL   HXT  H N N 441 
# 
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 
A1BJB O37 C35  doub N N 1   
A1BJB O36 C35  sing N N 2   
A1BJB C35 C32  sing N N 3   
A1BJB C32 C33  doub Y N 4   
A1BJB C32 C31  sing Y N 5   
A1BJB C33 C34  sing Y N 6   
A1BJB C31 C30  doub Y N 7   
A1BJB C34 C29  doub Y N 8   
A1BJB C30 C29  sing Y N 9   
A1BJB C29 C15  sing N N 10  
A1BJB C07 C06  doub Y N 11  
A1BJB C07 C08  sing Y N 12  
A1BJB C06 C05  sing Y N 13  
A1BJB C08 C09  doub Y N 14  
A1BJB C15 N16  sing N N 15  
A1BJB C15 C13  sing N N 16  
A1BJB N16 C17  sing N N 17  
A1BJB O18 C17  doub N N 18  
A1BJB C17 N19  sing N N 19  
A1BJB C05 C04  doub Y N 20  
A1BJB C05 C38  sing N N 21  
A1BJB O28 C27  doub N N 22  
A1BJB C09 C04  sing Y N 23  
A1BJB C09 C10  sing N N 24  
A1BJB N19 C27  sing N N 25  
A1BJB N19 C20  sing N N 26  
A1BJB C13 O14  doub N N 27  
A1BJB C13 N12  sing N N 28  
A1BJB O39 C38  doub N N 29  
A1BJB C27 C25  sing N N 30  
A1BJB C20 C21  sing N N 31  
A1BJB C21 N22  sing N N 32  
A1BJB C04 O03  sing N N 33  
A1BJB C38 O40  sing N N 34  
A1BJB N12 C11  sing N N 35  
A1BJB C10 C11  sing N N 36  
A1BJB C25 N22  sing N N 37  
A1BJB C25 O26  doub N N 38  
A1BJB N22 C23  sing N N 39  
A1BJB C11 B02  sing N N 40  
A1BJB C24 C23  sing N N 41  
A1BJB O03 B02  sing N N 42  
A1BJB O01 B02  sing N N 43  
A1BJB C10 H1   sing N N 44  
A1BJB C10 H2   sing N N 45  
A1BJB N12 H3   sing N N 46  
A1BJB C15 H4   sing N N 47  
A1BJB C20 H5   sing N N 48  
A1BJB C20 H6   sing N N 49  
A1BJB C21 H7   sing N N 50  
A1BJB C21 H8   sing N N 51  
A1BJB C24 H9   sing N N 52  
A1BJB C24 H10  sing N N 53  
A1BJB C24 H11  sing N N 54  
A1BJB O01 H12  sing N N 55  
A1BJB C06 H13  sing N N 56  
A1BJB C07 H14  sing N N 57  
A1BJB C08 H15  sing N N 58  
A1BJB C11 H16  sing N N 59  
A1BJB N16 H17  sing N N 60  
A1BJB C23 H18  sing N N 61  
A1BJB C23 H19  sing N N 62  
A1BJB C30 H20  sing N N 63  
A1BJB C31 H21  sing N N 64  
A1BJB C33 H22  sing N N 65  
A1BJB C34 H23  sing N N 66  
A1BJB O36 H24  sing N N 67  
A1BJB O40 H25  sing N N 68  
ALA   N   CA   sing N N 69  
ALA   N   H    sing N N 70  
ALA   N   H2   sing N N 71  
ALA   CA  C    sing N N 72  
ALA   CA  CB   sing N N 73  
ALA   CA  HA   sing N N 74  
ALA   C   O    doub N N 75  
ALA   C   OXT  sing N N 76  
ALA   CB  HB1  sing N N 77  
ALA   CB  HB2  sing N N 78  
ALA   CB  HB3  sing N N 79  
ALA   OXT HXT  sing N N 80  
ARG   N   CA   sing N N 81  
ARG   N   H    sing N N 82  
ARG   N   H2   sing N N 83  
ARG   CA  C    sing N N 84  
ARG   CA  CB   sing N N 85  
ARG   CA  HA   sing N N 86  
ARG   C   O    doub N N 87  
ARG   C   OXT  sing N N 88  
ARG   CB  CG   sing N N 89  
ARG   CB  HB2  sing N N 90  
ARG   CB  HB3  sing N N 91  
ARG   CG  CD   sing N N 92  
ARG   CG  HG2  sing N N 93  
ARG   CG  HG3  sing N N 94  
ARG   CD  NE   sing N N 95  
ARG   CD  HD2  sing N N 96  
ARG   CD  HD3  sing N N 97  
ARG   NE  CZ   sing N N 98  
ARG   NE  HE   sing N N 99  
ARG   CZ  NH1  sing N N 100 
ARG   CZ  NH2  doub N N 101 
ARG   NH1 HH11 sing N N 102 
ARG   NH1 HH12 sing N N 103 
ARG   NH2 HH21 sing N N 104 
ARG   NH2 HH22 sing N N 105 
ARG   OXT HXT  sing N N 106 
ASN   N   CA   sing N N 107 
ASN   N   H    sing N N 108 
ASN   N   H2   sing N N 109 
ASN   CA  C    sing N N 110 
ASN   CA  CB   sing N N 111 
ASN   CA  HA   sing N N 112 
ASN   C   O    doub N N 113 
ASN   C   OXT  sing N N 114 
ASN   CB  CG   sing N N 115 
ASN   CB  HB2  sing N N 116 
ASN   CB  HB3  sing N N 117 
ASN   CG  OD1  doub N N 118 
ASN   CG  ND2  sing N N 119 
ASN   ND2 HD21 sing N N 120 
ASN   ND2 HD22 sing N N 121 
ASN   OXT HXT  sing N N 122 
ASP   N   CA   sing N N 123 
ASP   N   H    sing N N 124 
ASP   N   H2   sing N N 125 
ASP   CA  C    sing N N 126 
ASP   CA  CB   sing N N 127 
ASP   CA  HA   sing N N 128 
ASP   C   O    doub N N 129 
ASP   C   OXT  sing N N 130 
ASP   CB  CG   sing N N 131 
ASP   CB  HB2  sing N N 132 
ASP   CB  HB3  sing N N 133 
ASP   CG  OD1  doub N N 134 
ASP   CG  OD2  sing N N 135 
ASP   OD2 HD2  sing N N 136 
ASP   OXT HXT  sing N N 137 
GLN   N   CA   sing N N 138 
GLN   N   H    sing N N 139 
GLN   N   H2   sing N N 140 
GLN   CA  C    sing N N 141 
GLN   CA  CB   sing N N 142 
GLN   CA  HA   sing N N 143 
GLN   C   O    doub N N 144 
GLN   C   OXT  sing N N 145 
GLN   CB  CG   sing N N 146 
GLN   CB  HB2  sing N N 147 
GLN   CB  HB3  sing N N 148 
GLN   CG  CD   sing N N 149 
GLN   CG  HG2  sing N N 150 
GLN   CG  HG3  sing N N 151 
GLN   CD  OE1  doub N N 152 
GLN   CD  NE2  sing N N 153 
GLN   NE2 HE21 sing N N 154 
GLN   NE2 HE22 sing N N 155 
GLN   OXT HXT  sing N N 156 
GLU   N   CA   sing N N 157 
GLU   N   H    sing N N 158 
GLU   N   H2   sing N N 159 
GLU   CA  C    sing N N 160 
GLU   CA  CB   sing N N 161 
GLU   CA  HA   sing N N 162 
GLU   C   O    doub N N 163 
GLU   C   OXT  sing N N 164 
GLU   CB  CG   sing N N 165 
GLU   CB  HB2  sing N N 166 
GLU   CB  HB3  sing N N 167 
GLU   CG  CD   sing N N 168 
GLU   CG  HG2  sing N N 169 
GLU   CG  HG3  sing N N 170 
GLU   CD  OE1  doub N N 171 
GLU   CD  OE2  sing N N 172 
GLU   OE2 HE2  sing N N 173 
GLU   OXT HXT  sing N N 174 
GLY   N   CA   sing N N 175 
GLY   N   H    sing N N 176 
GLY   N   H2   sing N N 177 
GLY   CA  C    sing N N 178 
GLY   CA  HA2  sing N N 179 
GLY   CA  HA3  sing N N 180 
GLY   C   O    doub N N 181 
GLY   C   OXT  sing N N 182 
GLY   OXT HXT  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 
THR   N   CA   sing N N 345 
THR   N   H    sing N N 346 
THR   N   H2   sing N N 347 
THR   CA  C    sing N N 348 
THR   CA  CB   sing N N 349 
THR   CA  HA   sing N N 350 
THR   C   O    doub N N 351 
THR   C   OXT  sing N N 352 
THR   CB  OG1  sing N N 353 
THR   CB  CG2  sing N N 354 
THR   CB  HB   sing N N 355 
THR   OG1 HG1  sing N N 356 
THR   CG2 HG21 sing N N 357 
THR   CG2 HG22 sing N N 358 
THR   CG2 HG23 sing N N 359 
THR   OXT HXT  sing N N 360 
TRP   N   CA   sing N N 361 
TRP   N   H    sing N N 362 
TRP   N   H2   sing N N 363 
TRP   CA  C    sing N N 364 
TRP   CA  CB   sing N N 365 
TRP   CA  HA   sing N N 366 
TRP   C   O    doub N N 367 
TRP   C   OXT  sing N N 368 
TRP   CB  CG   sing N N 369 
TRP   CB  HB2  sing N N 370 
TRP   CB  HB3  sing N N 371 
TRP   CG  CD1  doub Y N 372 
TRP   CG  CD2  sing Y N 373 
TRP   CD1 NE1  sing Y N 374 
TRP   CD1 HD1  sing N N 375 
TRP   CD2 CE2  doub Y N 376 
TRP   CD2 CE3  sing Y N 377 
TRP   NE1 CE2  sing Y N 378 
TRP   NE1 HE1  sing N N 379 
TRP   CE2 CZ2  sing Y N 380 
TRP   CE3 CZ3  doub Y N 381 
TRP   CE3 HE3  sing N N 382 
TRP   CZ2 CH2  doub Y N 383 
TRP   CZ2 HZ2  sing N N 384 
TRP   CZ3 CH2  sing Y N 385 
TRP   CZ3 HZ3  sing N N 386 
TRP   CH2 HH2  sing N N 387 
TRP   OXT HXT  sing N N 388 
TYR   N   CA   sing N N 389 
TYR   N   H    sing N N 390 
TYR   N   H2   sing N N 391 
TYR   CA  C    sing N N 392 
TYR   CA  CB   sing N N 393 
TYR   CA  HA   sing N N 394 
TYR   C   O    doub N N 395 
TYR   C   OXT  sing N N 396 
TYR   CB  CG   sing N N 397 
TYR   CB  HB2  sing N N 398 
TYR   CB  HB3  sing N N 399 
TYR   CG  CD1  doub Y N 400 
TYR   CG  CD2  sing Y N 401 
TYR   CD1 CE1  sing Y N 402 
TYR   CD1 HD1  sing N N 403 
TYR   CD2 CE2  doub Y N 404 
TYR   CD2 HD2  sing N N 405 
TYR   CE1 CZ   doub Y N 406 
TYR   CE1 HE1  sing N N 407 
TYR   CE2 CZ   sing Y N 408 
TYR   CE2 HE2  sing N N 409 
TYR   CZ  OH   sing N N 410 
TYR   OH  HH   sing N N 411 
TYR   OXT HXT  sing N N 412 
VAL   N   CA   sing N N 413 
VAL   N   H    sing N N 414 
VAL   N   H2   sing N N 415 
VAL   CA  C    sing N N 416 
VAL   CA  CB   sing N N 417 
VAL   CA  HA   sing N N 418 
VAL   C   O    doub N N 419 
VAL   C   OXT  sing N N 420 
VAL   CB  CG1  sing N N 421 
VAL   CB  CG2  sing N N 422 
VAL   CB  HB   sing N N 423 
VAL   CG1 HG11 sing N N 424 
VAL   CG1 HG12 sing N N 425 
VAL   CG1 HG13 sing N N 426 
VAL   CG2 HG21 sing N N 427 
VAL   CG2 HG22 sing N N 428 
VAL   CG2 HG23 sing N N 429 
VAL   OXT HXT  sing N N 430 
# 
_pdbx_audit_support.funding_organization   
'National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           AI141239 
_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   6VBL 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9MD0 
_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]   0.019816 
_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]   0.016605 
_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]   0.009063 
_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 
B 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . ALA   A 1 5   ? -8.272  28.587  1.102   1.000 34.429  0  236 ALA   A N   1 
ATOM   2    C CA  . ALA   A 1 5   ? -7.355  28.424  -0.057  1.000 34.676  0  236 ALA   A CA  1 
ATOM   3    C C   . ALA   A 1 5   ? -7.457  26.999  -0.590  1.000 33.078  0  236 ALA   A C   1 
ATOM   4    O O   . ALA   A 1 5   ? -7.508  26.034  0.185   1.000 29.334  0  236 ALA   A O   1 
ATOM   5    C CB  . ALA   A 1 5   ? -5.917  28.752  0.299   1.000 33.181  0  236 ALA   A CB  1 
ATOM   6    N N   . LEU   A 1 6   ? -7.400  26.930  -1.925  1.000 30.687  0  237 LEU   A N   1 
ATOM   7    C CA  . LEU   A 1 6   ? -7.489  25.713  -2.708  1.000 29.709  0  237 LEU   A CA  1 
ATOM   8    C C   . LEU   A 1 6   ? -6.151  24.976  -2.755  1.000 31.596  0  237 LEU   A C   1 
ATOM   9    O O   . LEU   A 1 6   ? -5.095  25.597  -2.744  1.000 32.471  0  237 LEU   A O   1 
ATOM   10   C CB  . LEU   A 1 6   ? -7.938  26.118  -4.110  1.000 28.691  0  237 LEU   A CB  1 
ATOM   11   C CG  . LEU   A 1 6   ? -9.240  26.915  -4.156  1.000 30.339  0  237 LEU   A CG  1 
ATOM   12   C CD1 . LEU   A 1 6   ? -9.789  26.985  -5.582  1.000 33.196  0  237 LEU   A CD1 1 
ATOM   13   C CD2 . LEU   A 1 6   ? -10.281 26.313  -3.213  1.000 28.195  0  237 LEU   A CD2 1 
ATOM   14   N N   . SER   A 1 7   ? -6.219  23.634  -2.812  1.000 33.095  0  238 SER   A N   1 
ATOM   15   C CA  . SER   A 1 7   ? -5.057  22.758  -2.952  1.000 30.603  0  238 SER   A CA  1 
ATOM   16   C C   . SER   A 1 7   ? -4.523  22.787  -4.384  1.000 28.057  0  238 SER   A C   1 
ATOM   17   O O   . SER   A 1 7   ? -3.438  22.267  -4.656  1.000 25.285  0  238 SER   A O   1 
ATOM   18   C CB  . SER   A 1 7   ? -5.414  21.341  -2.589  1.000 31.198  0  238 SER   A CB  1 
ATOM   19   O OG  . SER   A 1 7   ? -6.617  20.941  -3.259  1.000 30.382  0  238 SER   A OG  1 
ATOM   20   N N   . LEU   A 1 8   ? -5.305  23.381  -5.289  1.000 27.641  0  239 LEU   A N   1 
ATOM   21   C CA  . LEU   A 1 8   ? -4.989  23.402  -6.703  1.000 31.974  0  239 LEU   A CA  1 
ATOM   22   C C   . LEU   A 1 8   ? -3.660  24.142  -6.931  1.000 32.548  0  239 LEU   A C   1 
ATOM   23   O O   . LEU   A 1 8   ? -3.308  25.092  -6.223  1.000 29.805  0  239 LEU   A O   1 
ATOM   24   C CB  . LEU   A 1 8   ? -6.214  24.024  -7.374  1.000 36.547  0  239 LEU   A CB  1 
ATOM   25   C CG  . LEU   A 1 8   ? -6.278  24.006  -8.897  1.000 42.352  0  239 LEU   A CG  1 
ATOM   26   C CD1 . LEU   A 1 8   ? -7.656  23.546  -9.344  1.000 39.771  0  239 LEU   A CD1 1 
ATOM   27   C CD2 . LEU   A 1 8   ? -5.970  25.401  -9.462  1.000 48.367  0  239 LEU   A CD2 1 
ATOM   28   N N   . ASP   A 1 9   ? -2.880  23.618  -7.879  1.000 33.350  0  240 ASP   A N   1 
ATOM   29   C CA  . ASP   A 1 9   ? -1.538  24.084  -8.188  1.000 31.458  0  240 ASP   A CA  1 
ATOM   30   C C   . ASP   A 1 9   ? -1.566  24.557  -9.629  1.000 27.938  0  240 ASP   A C   1 
ATOM   31   O O   . ASP   A 1 9   ? -1.747  23.772  -10.546 1.000 26.402  0  240 ASP   A O   1 
ATOM   32   C CB  . ASP   A 1 9   ? -0.522  22.949  -8.006  1.000 33.370  0  240 ASP   A CB  1 
ATOM   33   C CG  . ASP   A 1 9   ? 0.944   23.343  -8.106  1.000 36.651  0  240 ASP   A CG  1 
ATOM   34   O OD1 . ASP   A 1 9   ? 1.277   24.155  -9.030  1.000 38.291  0  240 ASP   A OD1 1 
ATOM   35   O OD2 . ASP   A 1 9   ? 1.756   22.812  -7.271  1.000 34.064  0  240 ASP   A OD2 1 
ATOM   36   N N   . GLN   A 1 10  ? -1.412  25.852  -9.827  1.000 30.150  0  241 GLN   A N   1 
ATOM   37   C CA  . GLN   A 1 10  ? -1.784  26.433  -11.107 1.000 31.488  0  241 GLN   A CA  1 
ATOM   38   C C   . GLN   A 1 10  ? -0.923  25.869  -12.226 1.000 28.344  0  241 GLN   A C   1 
ATOM   39   O O   . GLN   A 1 10  ? -1.409  25.705  -13.336 1.000 27.513  0  241 GLN   A O   1 
ATOM   40   C CB  . GLN   A 1 10  ? -1.726  27.961  -11.083 1.000 30.873  0  241 GLN   A CB  1 
ATOM   41   C CG  . GLN   A 1 10  ? -2.469  28.615  -12.255 1.000 36.730  0  241 GLN   A CG  1 
ATOM   42   C CD  . GLN   A 1 10  ? -3.865  28.089  -12.539 1.000 39.910  0  241 GLN   A CD  1 
ATOM   43   O OE1 . GLN   A 1 10  ? -4.151  27.595  -13.637 1.000 34.225  0  241 GLN   A OE1 1 
ATOM   44   N NE2 . GLN   A 1 10  ? -4.733  28.163  -11.533 1.000 40.927  0  241 GLN   A NE2 1 
ATOM   45   N N   . ARG   A 1 11  ? 0.346   25.596  -11.935 1.000 29.536  0  242 ARG   A N   1 
ATOM   46   C CA  . ARG   A 1 11  ? 1.260   25.155  -12.967 1.000 32.093  0  242 ARG   A CA  1 
ATOM   47   C C   . ARG   A 1 11  ? 0.773   23.810  -13.499 1.000 27.932  0  242 ARG   A C   1 
ATOM   48   O O   . ARG   A 1 11  ? 0.810   23.555  -14.708 1.000 28.933  0  242 ARG   A O   1 
ATOM   49   C CB  . ARG   A 1 11  ? 2.694   25.033  -12.434 1.000 39.069  0  242 ARG   A CB  1 
ATOM   50   C CG  . ARG   A 1 11  ? 3.701   26.060  -12.948 1.000 42.594  0  242 ARG   A CG  1 
ATOM   51   C CD  . ARG   A 1 11  ? 4.250   26.914  -11.829 1.000 47.452  0  242 ARG   A CD  1 
ATOM   52   N NE  . ARG   A 1 11  ? 4.622   26.173  -10.624 1.000 49.151  0  242 ARG   A NE  1 
ATOM   53   C CZ  . ARG   A 1 11  ? 3.880   26.097  -9.510  1.000 58.886  0  242 ARG   A CZ  1 
ATOM   54   N NH1 . ARG   A 1 11  ? 2.617   26.503  -9.509  1.000 53.285  0  242 ARG   A NH1 1 
ATOM   55   N NH2 . ARG   A 1 11  ? 4.393   25.560  -8.409  1.000 58.812  0  242 ARG   A NH2 1 
ATOM   56   N N   . ILE   A 1 12  ? 0.342   22.955  -12.574 1.000 24.031  0  243 ILE   A N   1 
ATOM   57   C CA  . ILE   A 1 12  ? -0.049  21.595  -12.905 1.000 24.644  0  243 ILE   A CA  1 
ATOM   58   C C   . ILE   A 1 12  ? -1.398  21.617  -13.611 1.000 24.024  0  243 ILE   A C   1 
ATOM   59   O O   . ILE   A 1 12  ? -1.640  20.799  -14.506 1.000 24.567  0  243 ILE   A O   1 
ATOM   60   C CB  . ILE   A 1 12  ? -0.138  20.711  -11.644 1.000 25.581  0  243 ILE   A CB  1 
ATOM   61   C CG1 . ILE   A 1 12  ? 1.184   20.625  -10.878 1.000 24.024  0  243 ILE   A CG1 1 
ATOM   62   C CG2 . ILE   A 1 12  ? -0.658  19.342  -12.041 1.000 27.132  0  243 ILE   A CG2 1 
ATOM   63   C CD1 . ILE   A 1 12  ? 1.177   19.700  -9.681  1.000 23.667  0  243 ILE   A CD1 1 
ATOM   64   N N   . GLN   A 1 13  ? -2.249  22.554  -13.166 1.000 22.839  0  244 GLN   A N   1 
ATOM   65   C CA  . GLN   A 1 13  ? -3.602  22.724  -13.663 1.000 24.639  0  244 GLN   A CA  1 
ATOM   66   C C   . GLN   A 1 13  ? -3.535  23.210  -15.100 1.000 23.571  0  244 GLN   A C   1 
ATOM   67   O O   . GLN   A 1 13  ? -4.376  22.857  -15.914 1.000 23.991  0  244 GLN   A O   1 
ATOM   68   C CB  . GLN   A 1 13  ? -4.367  23.704  -12.763 1.000 27.745  0  244 GLN   A CB  1 
ATOM   69   C CG  . GLN   A 1 13  ? -5.737  24.140  -13.291 1.000 28.293  0  244 GLN   A CG  1 
ATOM   70   C CD  . GLN   A 1 13  ? -6.851  23.190  -12.940 1.000 29.676  0  244 GLN   A CD  1 
ATOM   71   O OE1 . GLN   A 1 13  ? -6.625  22.153  -12.326 1.000 35.735  0  244 GLN   A OE1 1 
ATOM   72   N NE2 . GLN   A 1 13  ? -8.061  23.513  -13.361 1.000 26.368  0  244 GLN   A NE2 1 
ATOM   73   N N   . THR   A 1 14  ? -2.525  24.033  -15.373 1.000 24.042  0  245 THR   A N   1 
ATOM   74   C CA  . THR   A 1 14  ? -2.278  24.563  -16.697 1.000 25.558  0  245 THR   A CA  1 
ATOM   75   C C   . THR   A 1 14  ? -1.729  23.475  -17.597 1.000 25.806  0  245 THR   A C   1 
ATOM   76   O O   . THR   A 1 14  ? -2.073  23.407  -18.769 1.000 24.277  0  245 THR   A O   1 
ATOM   77   C CB  . THR   A 1 14  ? -1.248  25.693  -16.638 1.000 27.186  0  245 THR   A CB  1 
ATOM   78   O OG1 . THR   A 1 14  ? -1.895  26.716  -15.878 1.000 30.458  0  245 THR   A OG1 1 
ATOM   79   C CG2 . THR   A 1 14  ? -0.804  26.187  -18.000 1.000 24.899  0  245 THR   A CG2 1 
ATOM   80   N N   . LEU   A 1 15  ? -0.808  22.689  -17.040 1.000 26.197  0  246 LEU   A N   1 
ATOM   81   C CA  . LEU   A 1 15  ? -0.195  21.597  -17.773 1.000 26.257  0  246 LEU   A CA  1 
ATOM   82   C C   . LEU   A 1 15  ? -1.263  20.584  -18.205 1.000 28.930  0  246 LEU   A C   1 
ATOM   83   O O   . LEU   A 1 15  ? -1.333  20.195  -19.372 1.000 27.341  0  246 LEU   A O   1 
ATOM   84   C CB  . LEU   A 1 15  ? 0.848   20.985  -16.842 1.000 25.639  0  246 LEU   A CB  1 
ATOM   85   C CG  . LEU   A 1 15  ? 1.480   19.682  -17.333 1.000 27.854  0  246 LEU   A CG  1 
ATOM   86   C CD1 . LEU   A 1 15  ? 2.134   19.882  -18.709 1.000 25.697  0  246 LEU   A CD1 1 
ATOM   87   C CD2 . LEU   A 1 15  ? 2.477   19.136  -16.289 1.000 26.590  0  246 LEU   A CD2 1 
ATOM   88   N N   . ALA   A 1 16  ? -2.099  20.157  -17.238 1.000 30.349  0  247 ALA   A N   1 
ATOM   89   C CA  . ALA   A 1 16  ? -3.170  19.204  -17.485 1.000 29.194  0  247 ALA   A CA  1 
ATOM   90   C C   . ALA   A 1 16  ? -4.125  19.702  -18.581 1.000 30.871  0  247 ALA   A C   1 
ATOM   91   O O   . ALA   A 1 16  ? -4.613  18.938  -19.426 1.000 27.169  0  247 ALA   A O   1 
ATOM   92   C CB  . ALA   A 1 16  ? -3.896  18.986  -16.188 1.000 28.546  0  247 ALA   A CB  1 
ATOM   93   N N   . TYR   A 1 17  ? -4.417  21.003  -18.523 1.000 32.200  0  248 TYR   A N   1 
ATOM   94   C CA  . TYR   A 1 17  ? -5.369  21.624  -19.417 1.000 36.093  0  248 TYR   A CA  1 
ATOM   95   C C   . TYR   A 1 17  ? -4.794  21.571  -20.832 1.000 34.539  0  248 TYR   A C   1 
ATOM   96   O O   . TYR   A 1 17  ? -5.415  21.064  -21.756 1.000 37.302  0  248 TYR   A O   1 
ATOM   97   C CB  . TYR   A 1 17  ? -5.673  23.018  -18.879 1.000 41.334  0  248 TYR   A CB  1 
ATOM   98   C CG  . TYR   A 1 17  ? -6.675  23.795  -19.681 1.000 50.676  0  248 TYR   A CG  1 
ATOM   99   C CD1 . TYR   A 1 17  ? -8.034  23.540  -19.575 1.000 55.989  0  248 TYR   A CD1 1 
ATOM   100  C CD2 . TYR   A 1 17  ? -6.254  24.779  -20.563 1.000 59.047  0  248 TYR   A CD2 1 
ATOM   101  C CE1 . TYR   A 1 17  ? -8.957  24.255  -20.324 1.000 60.082  0  248 TYR   A CE1 1 
ATOM   102  C CE2 . TYR   A 1 17  ? -7.162  25.514  -21.305 1.000 59.788  0  248 TYR   A CE2 1 
ATOM   103  C CZ  . TYR   A 1 17  ? -8.514  25.251  -21.180 1.000 58.581  0  248 TYR   A CZ  1 
ATOM   104  O OH  . TYR   A 1 17  ? -9.388  25.994  -21.920 1.000 57.967  0  248 TYR   A OH  1 
ATOM   105  N N   . GLU   A 1 18  ? -3.550  22.001  -20.976 1.000 33.197  0  249 GLU   A N   1 
ATOM   106  C CA  . GLU   A 1 18  ? -2.911  22.005  -22.271 1.000 33.107  0  249 GLU   A CA  1 
ATOM   107  C C   . GLU   A 1 18  ? -2.891  20.603  -22.843 1.000 29.949  0  249 GLU   A C   1 
ATOM   108  O O   . GLU   A 1 18  ? -3.284  20.422  -23.984 1.000 29.382  0  249 GLU   A O   1 
ATOM   109  C CB  . GLU   A 1 18  ? -1.518  22.609  -22.158 1.000 35.912  0  249 GLU   A CB  1 
ATOM   110  C CG  . GLU   A 1 18  ? -1.577  24.131  -22.174 1.000 38.954  0  249 GLU   A CG  1 
ATOM   111  C CD  . GLU   A 1 18  ? -0.333  24.851  -21.687 1.000 44.461  0  249 GLU   A CD  1 
ATOM   112  O OE1 . GLU   A 1 18  ? -0.405  26.092  -21.546 1.000 47.825  0  249 GLU   A OE1 1 
ATOM   113  O OE2 . GLU   A 1 18  ? 0.698   24.175  -21.418 1.000 47.860  0  249 GLU   A OE2 1 
ATOM   114  N N   . GLU   A 1 19  ? -2.475  19.628  -22.027 1.000 30.366  0  250 GLU   A N   1 
ATOM   115  C CA  . GLU   A 1 19  ? -2.252  18.277  -22.512 1.000 30.536  0  250 GLU   A CA  1 
ATOM   116  C C   . GLU   A 1 19  ? -3.562  17.545  -22.809 1.000 28.365  0  250 GLU   A C   1 
ATOM   117  O O   . GLU   A 1 19  ? -3.642  16.838  -23.818 1.000 25.501  0  250 GLU   A O   1 
ATOM   118  C CB  . GLU   A 1 19  ? -1.430  17.474  -21.506 1.000 34.220  0  250 GLU   A CB  1 
ATOM   119  C CG  . GLU   A 1 19  ? 0.030   17.879  -21.426 1.000 37.601  0  250 GLU   A CG  1 
ATOM   120  C CD  . GLU   A 1 19  ? 0.863   17.816  -22.699 1.000 37.638  0  250 GLU   A CD  1 
ATOM   121  O OE1 . GLU   A 1 19  ? 0.943   16.714  -23.328 1.000 37.016  0  250 GLU   A OE1 1 
ATOM   122  O OE2 . GLU   A 1 19  ? 1.466   18.874  -23.037 1.000 36.259  0  250 GLU   A OE2 1 
ATOM   123  N N   . LEU   A 1 20  ? -4.566  17.667  -21.922 1.000 25.998  0  251 LEU   A N   1 
ATOM   124  C CA  . LEU   A 1 20  ? -5.886  17.131  -22.234 1.000 26.918  0  251 LEU   A CA  1 
ATOM   125  C C   . LEU   A 1 20  ? -6.404  17.643  -23.581 1.000 27.275  0  251 LEU   A C   1 
ATOM   126  O O   . LEU   A 1 20  ? -6.869  16.857  -24.396 1.000 23.191  0  251 LEU   A O   1 
ATOM   127  C CB  . LEU   A 1 20  ? -6.879  17.525  -21.142 1.000 28.431  0  251 LEU   A CB  1 
ATOM   128  C CG  . LEU   A 1 20  ? -8.313  17.033  -21.381 1.000 26.363  0  251 LEU   A CG  1 
ATOM   129  C CD1 . LEU   A 1 20  ? -8.421  15.515  -21.226 1.000 25.639  0  251 LEU   A CD1 1 
ATOM   130  C CD2 . LEU   A 1 20  ? -9.286  17.742  -20.461 1.000 24.305  0  251 LEU   A CD2 1 
ATOM   131  N N   . ASN   A 1 21  ? -6.341  18.968  -23.792 1.000 29.647  0  252 ASN   A N   1 
ATOM   132  C CA  . ASN   A 1 21  ? -6.922  19.593  -24.968 1.000 31.069  0  252 ASN   A CA  1 
ATOM   133  C C   . ASN   A 1 21  ? -6.191  19.135  -26.227 1.000 33.272  0  252 ASN   A C   1 
ATOM   134  O O   . ASN   A 1 21  ? -6.835  18.834  -27.227 1.000 35.495  0  252 ASN   A O   1 
ATOM   135  C CB  . ASN   A 1 21  ? -7.011  21.115  -24.824 1.000 33.348  0  252 ASN   A CB  1 
ATOM   136  C CG  . ASN   A 1 21  ? -8.181  21.547  -23.952 1.000 36.076  0  252 ASN   A CG  1 
ATOM   137  O OD1 . ASN   A 1 21  ? -9.202  20.865  -23.911 1.000 43.899  0  252 ASN   A OD1 1 
ATOM   138  N ND2 . ASN   A 1 21  ? -8.054  22.647  -23.221 1.000 38.342  0  252 ASN   A ND2 1 
ATOM   139  N N   . LYS   A 1 22  ? -4.863  19.009  -26.179 1.000 33.914  0  253 LYS   A N   1 
ATOM   140  C CA  . LYS   A 1 22  ? -4.140  18.533  -27.347 1.000 34.433  0  253 LYS   A CA  1 
ATOM   141  C C   . LYS   A 1 22  ? -4.613  17.135  -27.726 1.000 28.956  0  253 LYS   A C   1 
ATOM   142  O O   . LYS   A 1 22  ? -4.694  16.795  -28.897 1.000 30.976  0  253 LYS   A O   1 
ATOM   143  C CB  . LYS   A 1 22  ? -2.625  18.530  -27.125 1.000 41.540  0  253 LYS   A CB  1 
ATOM   144  C CG  . LYS   A 1 22  ? -1.961  19.908  -27.057 1.000 46.768  0  253 LYS   A CG  1 
ATOM   145  C CD  . LYS   A 1 22  ? -0.483  19.798  -26.692 1.000 51.966  0  253 LYS   A CD  1 
ATOM   146  C CE  . LYS   A 1 22  ? 0.154   21.073  -26.186 1.000 55.685  0  253 LYS   A CE  1 
ATOM   147  N NZ  . LYS   A 1 22  ? 0.612   21.917  -27.308 1.000 54.446  0  253 LYS   A NZ  1 
ATOM   148  N N   . ALA   A 1 23  ? -4.938  16.319  -26.733 1.000 28.049  0  254 ALA   A N   1 
ATOM   149  C CA  . ALA   A 1 23  ? -5.268  14.920  -26.972 1.000 27.501  0  254 ALA   A CA  1 
ATOM   150  C C   . ALA   A 1 23  ? -6.696  14.776  -27.484 1.000 29.051  0  254 ALA   A C   1 
ATOM   151  O O   . ALA   A 1 23  ? -6.954  14.024  -28.418 1.000 27.365  0  254 ALA   A O   1 
ATOM   152  C CB  . ALA   A 1 23  ? -5.119  14.153  -25.689 1.000 27.431  0  254 ALA   A CB  1 
ATOM   153  N N   . VAL   A 1 24  ? -7.621  15.468  -26.812 1.000 30.386  0  255 VAL   A N   1 
ATOM   154  C CA  . VAL   A 1 24  ? -9.016  15.436  -27.197 1.000 32.734  0  255 VAL   A CA  1 
ATOM   155  C C   . VAL   A 1 24  ? -9.156  16.004  -28.610 1.000 33.540  0  255 VAL   A C   1 
ATOM   156  O O   . VAL   A 1 24  ? -9.996  15.534  -29.371 1.000 33.031  0  255 VAL   A O   1 
ATOM   157  C CB  . VAL   A 1 24  ? -9.891  16.151  -26.150 1.000 29.978  0  255 VAL   A CB  1 
ATOM   158  C CG1 . VAL   A 1 24  ? -11.286 16.473  -26.669 1.000 28.738  0  255 VAL   A CG1 1 
ATOM   159  C CG2 . VAL   A 1 24  ? -9.973  15.298  -24.899 1.000 30.876  0  255 VAL   A CG2 1 
ATOM   160  N N   . GLU   A 1 25  ? -8.305  16.964  -28.977 1.000 33.926  0  256 GLU   A N   1 
ATOM   161  C CA  . GLU   A 1 25  ? -8.308  17.430  -30.350 1.000 41.503  0  256 GLU   A CA  1 
ATOM   162  C C   . GLU   A 1 25  ? -7.700  16.387  -31.299 1.000 42.609  0  256 GLU   A C   1 
ATOM   163  O O   . GLU   A 1 25  ? -8.334  15.986  -32.289 1.000 42.671  0  256 GLU   A O   1 
ATOM   164  C CB  . GLU   A 1 25  ? -7.570  18.748  -30.523 1.000 44.247  0  256 GLU   A CB  1 
ATOM   165  C CG  . GLU   A 1 25  ? -7.801  19.264  -31.922 1.000 55.299  0  256 GLU   A CG  1 
ATOM   166  C CD  . GLU   A 1 25  ? -6.963  20.448  -32.345 1.000 66.080  0  256 GLU   A CD  1 
ATOM   167  O OE1 . GLU   A 1 25  ? -6.556  21.230  -31.446 1.000 74.518  0  256 GLU   A OE1 1 
ATOM   168  O OE2 . GLU   A 1 25  ? -6.695  20.546  -33.569 1.000 64.313  0  256 GLU   A OE2 1 
ATOM   169  N N   . TYR   A 1 26  ? -6.465  15.958  -31.007 1.000 36.651  0  257 TYR   A N   1 
ATOM   170  C CA  . TYR   A 1 26  ? -5.746  15.051  -31.889 1.000 34.058  0  257 TYR   A CA  1 
ATOM   171  C C   . TYR   A 1 26  ? -6.619  13.846  -32.225 1.000 30.902  0  257 TYR   A C   1 
ATOM   172  O O   . TYR   A 1 26  ? -6.704  13.447  -33.374 1.000 34.109  0  257 TYR   A O   1 
ATOM   173  C CB  . TYR   A 1 26  ? -4.404  14.623  -31.269 1.000 31.552  0  257 TYR   A CB  1 
ATOM   174  C CG  . TYR   A 1 26  ? -3.582  13.693  -32.126 1.000 26.681  0  257 TYR   A CG  1 
ATOM   175  C CD1 . TYR   A 1 26  ? -3.039  14.100  -33.336 1.000 27.957  0  257 TYR   A CD1 1 
ATOM   176  C CD2 . TYR   A 1 26  ? -3.364  12.389  -31.742 1.000 26.178  0  257 TYR   A CD2 1 
ATOM   177  C CE1 . TYR   A 1 26  ? -2.307  13.235  -34.143 1.000 25.680  0  257 TYR   A CE1 1 
ATOM   178  C CE2 . TYR   A 1 26  ? -2.622  11.514  -32.522 1.000 27.100  0  257 TYR   A CE2 1 
ATOM   179  C CZ  . TYR   A 1 26  ? -2.088  11.934  -33.729 1.000 25.816  0  257 TYR   A CZ  1 
ATOM   180  O OH  . TYR   A 1 26  ? -1.347  11.034  -34.469 1.000 25.041  0  257 TYR   A OH  1 
ATOM   181  N N   . HIS   A 1 27  ? -7.257  13.259  -31.212 1.000 32.047  0  258 HIS   A N   1 
ATOM   182  C CA  . HIS   A 1 27  ? -7.985  12.008  -31.372 1.000 30.668  0  258 HIS   A CA  1 
ATOM   183  C C   . HIS   A 1 27  ? -9.447  12.263  -31.757 1.000 35.484  0  258 HIS   A C   1 
ATOM   184  O O   . HIS   A 1 27  ? -10.224 11.305  -31.832 1.000 36.459  0  258 HIS   A O   1 
ATOM   185  C CB  . HIS   A 1 27  ? -7.845  11.174  -30.096 1.000 28.499  0  258 HIS   A CB  1 
ATOM   186  C CG  . HIS   A 1 27  ? -6.451  10.672  -29.868 1.000 29.781  0  258 HIS   A CG  1 
ATOM   187  N ND1 . HIS   A 1 27  ? -5.961  9.499   -30.433 1.000 30.053  0  258 HIS   A ND1 1 
ATOM   188  C CD2 . HIS   A 1 27  ? -5.446  11.174  -29.127 1.000 26.701  0  258 HIS   A CD2 1 
ATOM   189  C CE1 . HIS   A 1 27  ? -4.697  9.321   -30.073 1.000 26.474  0  258 HIS   A CE1 1 
ATOM   190  N NE2 . HIS   A 1 27  ? -4.360  10.330  -29.284 1.000 28.279  0  258 HIS   A NE2 1 
ATOM   191  N N   . GLN   A 1 28  ? -9.820  13.533  -32.020 1.000 35.840  0  259 GLN   A N   1 
ATOM   192  C CA  A GLN   A 1 28  ? -11.182 13.900  -32.395 0.590 37.235  0  259 GLN   A CA  1 
ATOM   193  C CA  B GLN   A 1 28  ? -11.179 13.856  -32.427 0.410 38.422  0  259 GLN   A CA  1 
ATOM   194  C C   . GLN   A 1 28  ? -12.153 13.174  -31.461 1.000 39.616  0  259 GLN   A C   1 
ATOM   195  O O   . GLN   A 1 28  ? -13.061 12.446  -31.882 1.000 41.097  0  259 GLN   A O   1 
ATOM   196  C CB  A GLN   A 1 28  ? -11.471 13.623  -33.881 0.590 35.520  0  259 GLN   A CB  1 
ATOM   197  C CB  B GLN   A 1 28  ? -11.407 13.423  -33.884 0.410 38.470  0  259 GLN   A CB  1 
ATOM   198  C CG  A GLN   A 1 28  ? -10.900 14.658  -34.855 0.590 32.418  0  259 GLN   A CG  1 
ATOM   199  C CG  B GLN   A 1 28  ? -10.457 14.069  -34.890 0.410 37.926  0  259 GLN   A CG  1 
ATOM   200  C CD  A GLN   A 1 28  ? -11.364 16.070  -34.588 0.590 30.270  0  259 GLN   A CD  1 
ATOM   201  C CD  B GLN   A 1 28  ? -10.641 13.553  -36.298 0.410 36.514  0  259 GLN   A CD  1 
ATOM   202  O OE1 A GLN   A 1 28  ? -12.557 16.362  -34.594 0.590 28.757  0  259 GLN   A OE1 1 
ATOM   203  O OE1 B GLN   A 1 28  ? -11.611 12.867  -36.607 0.410 36.692  0  259 GLN   A OE1 1 
ATOM   204  N NE2 A GLN   A 1 28  ? -10.418 16.966  -34.343 0.590 27.827  0  259 GLN   A NE2 1 
ATOM   205  N NE2 B GLN   A 1 28  ? -9.706  13.886  -37.171 0.410 33.016  0  259 GLN   A NE2 1 
ATOM   206  N N   . ALA   A 1 29  ? -11.938 13.388  -30.162 1.000 38.109  0  260 ALA   A N   1 
ATOM   207  C CA  . ALA   A 1 29  ? -12.738 12.762  -29.131 1.000 36.232  0  260 ALA   A CA  1 
ATOM   208  C C   . ALA   A 1 29  ? -13.853 13.707  -28.692 1.000 35.442  0  260 ALA   A C   1 
ATOM   209  O O   . ALA   A 1 29  ? -13.760 14.920  -28.855 1.000 33.446  0  260 ALA   A O   1 
ATOM   210  C CB  . ALA   A 1 29  ? -11.850 12.377  -27.972 1.000 35.657  0  260 ALA   A CB  1 
ATOM   211  N N   . LYS   A 1 30  ? -14.886 13.121  -28.091 1.000 33.165  0  261 LYS   A N   1 
ATOM   212  C CA  . LYS   A 1 30  ? -16.064 13.863  -27.703 1.000 36.622  0  261 LYS   A CA  1 
ATOM   213  C C   . LYS   A 1 30  ? -15.797 14.635  -26.409 1.000 35.412  0  261 LYS   A C   1 
ATOM   214  O O   . LYS   A 1 30  ? -16.206 15.790  -26.305 1.000 32.433  0  261 LYS   A O   1 
ATOM   215  C CB  . LYS   A 1 30  ? -17.252 12.905  -27.597 1.000 40.664  0  261 LYS   A CB  1 
ATOM   216  C CG  . LYS   A 1 30  ? -18.512 13.573  -27.087 1.000 49.486  0  261 LYS   A CG  1 
ATOM   217  C CD  . LYS   A 1 30  ? -19.757 12.721  -27.195 1.000 56.360  0  261 LYS   A CD  1 
ATOM   218  C CE  . LYS   A 1 30  ? -20.281 12.240  -25.862 1.000 53.033  0  261 LYS   A CE  1 
ATOM   219  N NZ  . LYS   A 1 30  ? -21.716 11.952  -26.024 1.000 51.622  0  261 LYS   A NZ  1 
ATOM   220  N N   . ALA   A 1 31  ? -15.151 14.004  -25.409 1.000 35.247  0  262 ALA   A N   1 
ATOM   221  C CA  . ALA   A 1 31  ? -14.882 14.676  -24.136 1.000 32.942  0  262 ALA   A CA  1 
ATOM   222  C C   . ALA   A 1 31  ? -13.673 14.061  -23.424 1.000 31.828  0  262 ALA   A C   1 
ATOM   223  O O   . ALA   A 1 31  ? -13.192 13.000  -23.810 1.000 32.245  0  262 ALA   A O   1 
ATOM   224  C CB  . ALA   A 1 31  ? -16.109 14.630  -23.257 1.000 30.246  0  262 ALA   A CB  1 
ATOM   225  N N   . GLY   A 1 32  ? -13.217 14.726  -22.352 1.000 27.658  0  263 GLY   A N   1 
ATOM   226  C CA  . GLY   A 1 32  ? -12.053 14.290  -21.607 1.000 25.784  0  263 GLY   A CA  1 
ATOM   227  C C   . GLY   A 1 32  ? -11.926 14.950  -20.232 1.000 25.221  0  263 GLY   A C   1 
ATOM   228  O O   . GLY   A 1 32  ? -12.425 16.040  -20.009 1.000 28.153  0  263 GLY   A O   1 
ATOM   229  N N   . THR   A 1 33  ? -11.186 14.295  -19.343 1.000 23.417  0  264 THR   A N   1 
ATOM   230  C CA  . THR   A 1 33  ? -11.001 14.708  -17.972 1.000 26.129  0  264 THR   A CA  1 
ATOM   231  C C   . THR   A 1 33  ? -9.565  14.356  -17.548 1.000 24.466  0  264 THR   A C   1 
ATOM   232  O O   . THR   A 1 33  ? -8.978  13.391  -18.013 1.000 24.466  0  264 THR   A O   1 
ATOM   233  C CB  . THR   A 1 33  ? -12.066 14.024  -17.090 1.000 32.438  0  264 THR   A CB  1 
ATOM   234  O OG1 . THR   A 1 33  ? -13.409 14.321  -17.511 1.000 37.256  0  264 THR   A OG1 1 
ATOM   235  C CG2 . THR   A 1 33  ? -11.937 14.389  -15.627 1.000 32.154  0  264 THR   A CG2 1 
ATOM   236  N N   . VAL   A 1 34  ? -8.974  15.133  -16.645 1.000 23.135  0  265 VAL   A N   1 
ATOM   237  C CA  . VAL   A 1 34  ? -7.745  14.719  -15.990 1.000 22.180  0  265 VAL   A CA  1 
ATOM   238  C C   . VAL   A 1 34  ? -7.858  15.104  -14.531 1.000 21.832  0  265 VAL   A C   1 
ATOM   239  O O   . VAL   A 1 34  ? -8.315  16.204  -14.260 1.000 23.704  0  265 VAL   A O   1 
ATOM   240  C CB  . VAL   A 1 34  ? -6.520  15.402  -16.621 1.000 23.450  0  265 VAL   A CB  1 
ATOM   241  C CG1 . VAL   A 1 34  ? -5.254  15.211  -15.796 1.000 22.899  0  265 VAL   A CG1 1 
ATOM   242  C CG2 . VAL   A 1 34  ? -6.325  14.973  -18.076 1.000 22.800  0  265 VAL   A CG2 1 
ATOM   243  N N   . VAL   A 1 35  ? -7.447  14.206  -13.632 1.000 21.291  0  266 VAL   A N   1 
ATOM   244  C CA  . VAL   A 1 35  ? -7.365  14.494  -12.211 1.000 21.628  0  266 VAL   A CA  1 
ATOM   245  C C   . VAL   A 1 35  ? -5.959  14.188  -11.696 1.000 22.845  0  266 VAL   A C   1 
ATOM   246  O O   . VAL   A 1 35  ? -5.441  13.108  -11.935 1.000 26.431  0  266 VAL   A O   1 
ATOM   247  C CB  . VAL   A 1 35  ? -8.346  13.614  -11.426 1.000 22.364  0  266 VAL   A CB  1 
ATOM   248  C CG1 . VAL   A 1 35  ? -8.167  13.816  -9.922  1.000 23.395  0  266 VAL   A CG1 1 
ATOM   249  C CG2 . VAL   A 1 35  ? -9.792  13.801  -11.858 1.000 22.063  0  266 VAL   A CG2 1 
ATOM   250  N N   . VAL   A 1 36  ? -5.412  15.063  -10.853 1.000 21.799  0  267 VAL   A N   1 
ATOM   251  C CA  . VAL   A 1 36  ? -4.160  14.799  -10.170 1.000 19.295  0  267 VAL   A CA  1 
ATOM   252  C C   . VAL   A 1 36  ? -4.415  14.971  -8.684  1.000 18.687  0  267 VAL   A C   1 
ATOM   253  O O   . VAL   A 1 36  ? -4.865  16.025  -8.234  1.000 18.658  0  267 VAL   A O   1 
ATOM   254  C CB  . VAL   A 1 36  ? -3.031  15.730  -10.654 1.000 18.410  0  267 VAL   A CB  1 
ATOM   255  C CG1 . VAL   A 1 36  ? -1.699  15.343  -10.066 1.000 17.819  0  267 VAL   A CG1 1 
ATOM   256  C CG2 . VAL   A 1 36  ? -2.916  15.757  -12.174 1.000 20.120  0  267 VAL   A CG2 1 
ATOM   257  N N   . LEU   A 1 37  ? -4.130  13.920  -7.930  1.000 17.741  0  268 LEU   A N   1 
ATOM   258  C CA  . LEU   A 1 37  ? -4.120  14.020  -6.488  1.000 18.134  0  268 LEU   A CA  1 
ATOM   259  C C   . LEU   A 1 37  ? -2.700  13.955  -5.945  1.000 19.625  0  268 LEU   A C   1 
ATOM   260  O O   . LEU   A 1 37  ? -1.820  13.290  -6.498  1.000 17.124  0  268 LEU   A O   1 
ATOM   261  C CB  . LEU   A 1 37  ? -4.899  12.853  -5.897  1.000 19.209  0  268 LEU   A CB  1 
ATOM   262  C CG  . LEU   A 1 37  ? -6.334  12.678  -6.384  1.000 20.753  0  268 LEU   A CG  1 
ATOM   263  C CD1 . LEU   A 1 37  ? -6.959  11.528  -5.634  1.000 23.090  0  268 LEU   A CD1 1 
ATOM   264  C CD2 . LEU   A 1 37  ? -7.163  13.939  -6.198  1.000 21.090  0  268 LEU   A CD2 1 
ATOM   265  N N   . ASP   A 1 38  ? -2.530  14.624  -4.800  1.000 22.180  0  269 ASP   A N   1 
ATOM   266  C CA  . ASP   A 1 38  ? -1.530  14.226  -3.836  1.000 22.604  0  269 ASP   A CA  1 
ATOM   267  C C   . ASP   A 1 38  ? -1.843  12.797  -3.380  1.000 21.003  0  269 ASP   A C   1 
ATOM   268  O O   . ASP   A 1 38  ? -2.887  12.527  -2.800  1.000 20.378  0  269 ASP   A O   1 
ATOM   269  C CB  . ASP   A 1 38  ? -1.514  15.194  -2.656  1.000 26.396  0  269 ASP   A CB  1 
ATOM   270  C CG  . ASP   A 1 38  ? -0.314  15.023  -1.733  1.000 29.258  0  269 ASP   A CG  1 
ATOM   271  O OD1 . ASP   A 1 38  ? 0.023   13.851  -1.389  1.000 33.071  0  269 ASP   A OD1 1 
ATOM   272  O OD2 . ASP   A 1 38  ? 0.295   16.060  -1.373  1.000 34.002  0  269 ASP   A OD2 1 
ATOM   273  N N   . ALA   A 1 39  ? -0.884  11.904  -3.610  1.000 19.784  0  270 ALA   A N   1 
ATOM   274  C CA  . ALA   A 1 39  ? -0.967  10.489  -3.298  1.000 19.660  0  270 ALA   A CA  1 
ATOM   275  C C   . ALA   A 1 39  ? -0.977  10.219  -1.786  1.000 20.951  0  270 ALA   A C   1 
ATOM   276  O O   . ALA   A 1 39  ? -1.394  9.122   -1.357  1.000 17.801  0  270 ALA   A O   1 
ATOM   277  C CB  . ALA   A 1 39  ? 0.211   9.821   -3.967  1.000 18.763  0  270 ALA   A CB  1 
ATOM   278  N N   . ARG   A 1 40  ? -0.481  11.187  -0.984  1.000 20.590  0  271 ARG   A N   1 
ATOM   279  C CA  . ARG   A 1 40  ? -0.352  10.965  0.449   1.000 23.276  0  271 ARG   A CA  1 
ATOM   280  C C   . ARG   A 1 40  ? -1.341  11.788  1.274   1.000 21.877  0  271 ARG   A C   1 
ATOM   281  O O   . ARG   A 1 40  ? -1.344  11.629  2.485   1.000 23.739  0  271 ARG   A O   1 
ATOM   282  C CB  . ARG   A 1 40  ? 1.080   11.248  0.917   1.000 24.601  0  271 ARG   A CB  1 
ATOM   283  C CG  . ARG   A 1 40  ? 2.120   10.372  0.244   1.000 26.201  0  271 ARG   A CG  1 
ATOM   284  C CD  . ARG   A 1 40  ? 1.785   8.895   0.312   1.000 30.062  0  271 ARG   A CD  1 
ATOM   285  N NE  . ARG   A 1 40  ? 1.805   8.291   1.652   1.000 34.435  0  271 ARG   A NE  1 
ATOM   286  C CZ  . ARG   A 1 40  ? 2.897   7.811   2.236   1.000 34.099  0  271 ARG   A CZ  1 
ATOM   287  N NH1 . ARG   A 1 40  ? 2.813   7.085   3.334   1.000 29.195  0  271 ARG   A NH1 1 
ATOM   288  N NH2 . ARG   A 1 40  ? 4.068   8.022   1.657   1.000 37.872  0  271 ARG   A NH2 1 
ATOM   289  N N   . THR   A 1 41  ? -2.163  12.643  0.652   1.000 20.599  0  272 THR   A N   1 
ATOM   290  C CA  . THR   A 1 41  ? -3.082  13.503  1.397   1.000 20.537  0  272 THR   A CA  1 
ATOM   291  C C   . THR   A 1 41  ? -4.487  13.544  0.791   1.000 21.185  0  272 THR   A C   1 
ATOM   292  O O   . THR   A 1 41  ? -5.420  13.908  1.499   1.000 24.286  0  272 THR   A O   1 
ATOM   293  C CB  . THR   A 1 41  ? -2.590  14.960  1.473   1.000 20.553  0  272 THR   A CB  1 
ATOM   294  O OG1 . THR   A 1 41  ? -2.659  15.480  0.137   1.000 19.465  0  272 THR   A OG1 1 
ATOM   295  C CG2 . THR   A 1 41  ? -1.196  15.109  2.057   1.000 18.918  0  272 THR   A CG2 1 
ATOM   296  N N   . GLY   A 1 42  ? -4.648  13.207  -0.503  1.000 21.369  0  273 GLY   A N   1 
ATOM   297  C CA  . GLY   A 1 42  ? -5.940  13.229  -1.171  1.000 20.190  0  273 GLY   A CA  1 
ATOM   298  C C   . GLY   A 1 42  ? -6.300  14.636  -1.644  1.000 22.949  0  273 GLY   A C   1 
ATOM   299  O O   . GLY   A 1 42  ? -7.418  14.890  -2.081  1.000 24.012  0  273 GLY   A O   1 
ATOM   300  N N   . GLU   A 1 43  ? -5.357  15.580  -1.537  1.000 25.629  0  274 GLU   A N   1 
ATOM   301  C CA  . GLU   A 1 43  ? -5.626  16.927  -2.001  1.000 25.818  0  274 GLU   A CA  1 
ATOM   302  C C   . GLU   A 1 43  ? -5.657  16.872  -3.520  1.000 25.977  0  274 GLU   A C   1 
ATOM   303  O O   . GLU   A 1 43  ? -4.891  16.111  -4.117  1.000 24.068  0  274 GLU   A O   1 
ATOM   304  C CB  . GLU   A 1 43  ? -4.579  17.930  -1.507  1.000 28.309  0  274 GLU   A CB  1 
ATOM   305  C CG  . GLU   A 1 43  ? -4.779  18.399  -0.061  1.000 30.991  0  274 GLU   A CG  1 
ATOM   306  C CD  . GLU   A 1 43  ? -3.506  18.901  0.620   1.000 31.712  0  274 GLU   A CD  1 
ATOM   307  O OE1 . GLU   A 1 43  ? -3.498  20.033  1.201   1.000 32.809  0  274 GLU   A OE1 1 
ATOM   308  O OE2 . GLU   A 1 43  ? -2.511  18.163  0.550   1.000 29.409  0  274 GLU   A OE2 1 
ATOM   309  N N   . ILE   A 1 44  ? -6.549  17.683  -4.108  1.000 24.424  0  275 ILE   A N   1 
ATOM   310  C CA  . ILE   A 1 44  ? -6.668  17.791  -5.547  1.000 23.747  0  275 ILE   A CA  1 
ATOM   311  C C   . ILE   A 1 44  ? -5.716  18.862  -6.020  1.000 22.989  0  275 ILE   A C   1 
ATOM   312  O O   . ILE   A 1 44  ? -5.955  20.029  -5.795  1.000 23.794  0  275 ILE   A O   1 
ATOM   313  C CB  . ILE   A 1 44  ? -8.115  18.104  -5.974  1.000 22.880  0  275 ILE   A CB  1 
ATOM   314  C CG1 . ILE   A 1 44  ? -9.032  16.962  -5.508  1.000 22.829  0  275 ILE   A CG1 1 
ATOM   315  C CG2 . ILE   A 1 44  ? -8.177  18.373  -7.484  1.000 20.364  0  275 ILE   A CG2 1 
ATOM   316  C CD1 . ILE   A 1 44  ? -10.502 17.243  -5.608  1.000 23.293  0  275 ILE   A CD1 1 
ATOM   317  N N   . LEU   A 1 45  ? -4.665  18.447  -6.720  1.000 25.649  0  276 LEU   A N   1 
ATOM   318  C CA  . LEU   A 1 45  ? -3.684  19.378  -7.237  1.000 23.697  0  276 LEU   A CA  1 
ATOM   319  C C   . LEU   A 1 45  ? -4.133  19.870  -8.609  1.000 21.112  0  276 LEU   A C   1 
ATOM   320  O O   . LEU   A 1 45  ? -3.737  20.956  -9.041  1.000 20.922  0  276 LEU   A O   1 
ATOM   321  C CB  . LEU   A 1 45  ? -2.334  18.669  -7.285  1.000 26.402  0  276 LEU   A CB  1 
ATOM   322  C CG  . LEU   A 1 45  ? -1.788  18.191  -5.934  1.000 31.429  0  276 LEU   A CG  1 
ATOM   323  C CD1 . LEU   A 1 45  ? -0.528  17.330  -6.113  1.000 32.533  0  276 LEU   A CD1 1 
ATOM   324  C CD2 . LEU   A 1 45  ? -1.480  19.365  -5.008  1.000 31.680  0  276 LEU   A CD2 1 
ATOM   325  N N   . ALA   A 1 46  ? -4.949  19.067  -9.295  1.000 19.192  0  277 ALA   A N   1 
ATOM   326  C CA  . ALA   A 1 46  ? -5.503  19.500  -10.564 1.000 20.622  0  277 ALA   A CA  1 
ATOM   327  C C   . ALA   A 1 46  ? -6.719  18.667  -10.912 1.000 21.003  0  277 ALA   A C   1 
ATOM   328  O O   . ALA   A 1 46  ? -6.833  17.505  -10.553 1.000 21.093  0  277 ALA   A O   1 
ATOM   329  C CB  . ALA   A 1 46  ? -4.504  19.443  -11.700 1.000 21.909  0  277 ALA   A CB  1 
ATOM   330  N N   . LEU   A 1 47  ? -7.609  19.305  -11.661 1.000 20.999  0  278 LEU   A N   1 
ATOM   331  C CA  . LEU   A 1 47  ? -8.888  18.727  -11.994 1.000 21.042  0  278 LEU   A CA  1 
ATOM   332  C C   . LEU   A 1 47  ? -9.374  19.535  -13.163 1.000 19.684  0  278 LEU   A C   1 
ATOM   333  O O   . LEU   A 1 47  ? -9.522  20.740  -13.025 1.000 21.609  0  278 LEU   A O   1 
ATOM   334  C CB  . LEU   A 1 47  ? -9.834  18.833  -10.800 1.000 22.342  0  278 LEU   A CB  1 
ATOM   335  C CG  . LEU   A 1 47  ? -11.204 18.205  -11.033 1.000 24.089  0  278 LEU   A CG  1 
ATOM   336  C CD1 . LEU   A 1 47  ? -11.960 18.131  -9.729  1.000 26.185  0  278 LEU   A CD1 1 
ATOM   337  C CD2 . LEU   A 1 47  ? -12.013 18.986  -12.058 1.000 24.979  0  278 LEU   A CD2 1 
ATOM   338  N N   . VAL   A 1 48  ? -9.569  18.875  -14.288 1.000 19.511  0  279 VAL   A N   1 
ATOM   339  C CA  A VAL   A 1 48  ? -9.784  19.599  -15.526 0.300 19.814  0  279 VAL   A CA  1 
ATOM   340  C CA  B VAL   A 1 48  ? -9.695  19.556  -15.564 0.700 20.166  0  279 VAL   A CA  1 
ATOM   341  C C   . VAL   A 1 48  ? -10.632 18.763  -16.482 1.000 19.985  0  279 VAL   A C   1 
ATOM   342  O O   . VAL   A 1 48  ? -10.599 17.533  -16.496 1.000 19.466  0  279 VAL   A O   1 
ATOM   343  C CB  A VAL   A 1 48  ? -8.439  20.050  -16.130 0.300 19.497  0  279 VAL   A CB  1 
ATOM   344  C CB  B VAL   A 1 48  ? -8.270  19.734  -16.123 0.700 20.190  0  279 VAL   A CB  1 
ATOM   345  C CG1 A VAL   A 1 48  ? -7.534  18.881  -16.493 0.300 19.141  0  279 VAL   A CG1 1 
ATOM   346  C CG1 B VAL   A 1 48  ? -8.202  19.577  -17.630 0.700 22.335  0  279 VAL   A CG1 1 
ATOM   347  C CG2 A VAL   A 1 48  ? -8.645  20.967  -17.324 0.300 19.859  0  279 VAL   A CG2 1 
ATOM   348  C CG2 B VAL   A 1 48  ? -7.654  21.050  -15.674 0.700 19.232  0  279 VAL   A CG2 1 
ATOM   349  N N   . ASN   A 1 49  ? -11.463 19.465  -17.249 1.000 21.344  0  280 ASN   A N   1 
ATOM   350  C CA  . ASN   A 1 49  ? -12.439 18.847  -18.121 1.000 21.028  0  280 ASN   A CA  1 
ATOM   351  C C   . ASN   A 1 49  ? -12.481 19.595  -19.445 1.000 24.370  0  280 ASN   A C   1 
ATOM   352  O O   . ASN   A 1 49  ? -12.109 20.759  -19.534 1.000 24.543  0  280 ASN   A O   1 
ATOM   353  C CB  . ASN   A 1 49  ? -13.835 18.897  -17.513 1.000 21.257  0  280 ASN   A CB  1 
ATOM   354  C CG  . ASN   A 1 49  ? -13.984 18.169  -16.192 1.000 22.552  0  280 ASN   A CG  1 
ATOM   355  O OD1 . ASN   A 1 49  ? -14.058 16.937  -16.165 1.000 26.858  0  280 ASN   A OD1 1 
ATOM   356  N ND2 . ASN   A 1 49  ? -14.119 18.910  -15.106 1.000 20.856  0  280 ASN   A ND2 1 
ATOM   357  N N   . THR   A 1 50  ? -12.970 18.927  -20.494 1.000 30.817  0  281 THR   A N   1 
ATOM   358  C CA  . THR   A 1 50  ? -13.375 19.627  -21.704 1.000 30.290  0  281 THR   A CA  1 
ATOM   359  C C   . THR   A 1 50  ? -14.582 20.495  -21.345 1.000 34.024  0  281 THR   A C   1 
ATOM   360  O O   . THR   A 1 50  ? -15.234 20.304  -20.306 1.000 32.333  0  281 THR   A O   1 
ATOM   361  C CB  . THR   A 1 50  ? -13.544 18.659  -22.884 1.000 29.454  0  281 THR   A CB  1 
ATOM   362  O OG1 . THR   A 1 50  ? -14.273 17.497  -22.504 1.000 27.618  0  281 THR   A OG1 1 
ATOM   363  C CG2 . THR   A 1 50  ? -12.217 18.195  -23.449 1.000 30.440  0  281 THR   A CG2 1 
ATOM   364  N N   . PRO   A 1 51  ? -14.882 21.536  -22.155 1.000 40.351  0  282 PRO   A N   1 
ATOM   365  C CA  . PRO   A 1 51  ? -15.750 22.612  -21.672 1.000 37.586  0  282 PRO   A CA  1 
ATOM   366  C C   . PRO   A 1 51  ? -17.147 22.001  -21.542 1.000 32.934  0  282 PRO   A C   1 
ATOM   367  O O   . PRO   A 1 51  ? -17.508 21.149  -22.349 1.000 29.093  0  282 PRO   A O   1 
ATOM   368  C CB  . PRO   A 1 51  ? -15.574 23.702  -22.753 1.000 41.750  0  282 PRO   A CB  1 
ATOM   369  C CG  . PRO   A 1 51  ? -14.379 23.239  -23.624 1.000 39.565  0  282 PRO   A CG  1 
ATOM   370  C CD  . PRO   A 1 51  ? -14.447 21.729  -23.558 1.000 39.926  0  282 PRO   A CD  1 
ATOM   371  N N   . GLY   A 1 52  ? -17.899 22.399  -20.505 1.000 28.036  0  297 GLY   A N   1 
ATOM   372  C CA  . GLY   A 1 52  ? -19.142 21.742  -20.126 1.000 26.048  0  297 GLY   A CA  1 
ATOM   373  C C   . GLY   A 1 52  ? -19.131 21.489  -18.624 1.000 27.196  0  297 GLY   A C   1 
ATOM   374  O O   . GLY   A 1 52  ? -18.317 22.062  -17.907 1.000 26.976  0  297 GLY   A O   1 
ATOM   375  N N   . ARG   A 1 53  ? -19.986 20.589  -18.144 1.000 28.218  0  298 ARG   A N   1 
ATOM   376  C CA  . ARG   A 1 53  ? -20.034 20.316  -16.716 1.000 30.426  0  298 ARG   A CA  1 
ATOM   377  C C   . ARG   A 1 53  ? -18.728 19.639  -16.259 1.000 30.743  0  298 ARG   A C   1 
ATOM   378  O O   . ARG   A 1 53  ? -17.895 19.191  -17.082 1.000 26.827  0  298 ARG   A O   1 
ATOM   379  C CB  . ARG   A 1 53  ? -21.283 19.490  -16.378 1.000 32.534  0  298 ARG   A CB  1 
ATOM   380  C CG  . ARG   A 1 53  ? -21.438 18.269  -17.263 1.000 34.762  0  298 ARG   A CG  1 
ATOM   381  C CD  . ARG   A 1 53  ? -22.567 17.331  -16.901 1.000 37.662  0  298 ARG   A CD  1 
ATOM   382  N NE  . ARG   A 1 53  ? -22.404 16.124  -17.712 1.000 41.335  0  298 ARG   A NE  1 
ATOM   383  C CZ  . ARG   A 1 53  ? -22.425 16.066  -19.052 1.000 44.133  0  298 ARG   A CZ  1 
ATOM   384  N NH1 . ARG   A 1 53  ? -22.739 17.127  -19.780 1.000 44.463  0  298 ARG   A NH1 1 
ATOM   385  N NH2 . ARG   A 1 53  ? -22.152 14.922  -19.664 1.000 42.195  0  298 ARG   A NH2 1 
ATOM   386  N N   . ASN   A 1 54  ? -18.571 19.601  -14.915 1.000 26.624  0  299 ASN   A N   1 
ATOM   387  C CA  . ASN   A 1 54  ? -17.463 18.937  -14.249 1.000 24.759  0  299 ASN   A CA  1 
ATOM   388  C C   . ASN   A 1 54  ? -17.681 17.421  -14.277 1.000 24.638  0  299 ASN   A C   1 
ATOM   389  O O   . ASN   A 1 54  ? -18.010 16.819  -13.264 1.000 24.226  0  299 ASN   A O   1 
ATOM   390  C CB  . ASN   A 1 54  ? -17.262 19.451  -12.814 1.000 23.679  0  299 ASN   A CB  1 
ATOM   391  C CG  . ASN   A 1 54  ? -15.975 18.949  -12.172 1.000 24.140  0  299 ASN   A CG  1 
ATOM   392  O OD1 . ASN   A 1 54  ? -15.154 18.282  -12.814 1.000 23.460  0  299 ASN   A OD1 1 
ATOM   393  N ND2 . ASN   A 1 54  ? -15.793 19.259  -10.897 1.000 22.372  0  299 ASN   A ND2 1 
ATOM   394  N N   . ARG   A 1 55  ? -17.450 16.809  -15.449 1.000 26.484  0  300 ARG   A N   1 
ATOM   395  C CA  . ARG   A 1 55  ? -17.547 15.370  -15.670 1.000 26.387  0  300 ARG   A CA  1 
ATOM   396  C C   . ARG   A 1 55  ? -16.791 14.537  -14.631 1.000 25.052  0  300 ARG   A C   1 
ATOM   397  O O   . ARG   A 1 55  ? -17.280 13.504  -14.190 1.000 21.163  0  300 ARG   A O   1 
ATOM   398  C CB  . ARG   A 1 55  ? -16.955 15.064  -17.042 1.000 28.485  0  300 ARG   A CB  1 
ATOM   399  C CG  . ARG   A 1 55  ? -17.772 15.661  -18.167 1.000 31.156  0  300 ARG   A CG  1 
ATOM   400  C CD  . ARG   A 1 55  ? -17.364 15.082  -19.500 1.000 34.292  0  300 ARG   A CD  1 
ATOM   401  N NE  . ARG   A 1 55  ? -17.983 15.949  -20.487 1.000 42.006  0  300 ARG   A NE  1 
ATOM   402  C CZ  . ARG   A 1 55  ? -18.957 15.612  -21.325 1.000 44.521  0  300 ARG   A CZ  1 
ATOM   403  N NH1 . ARG   A 1 55  ? -19.308 14.348  -21.459 1.000 45.883  0  300 ARG   A NH1 1 
ATOM   404  N NH2 . ARG   A 1 55  ? -19.531 16.543  -22.073 1.000 47.681  0  300 ARG   A NH2 1 
ATOM   405  N N   . ALA   A 1 56  ? -15.579 14.986  -14.269 1.000 24.060  0  301 ALA   A N   1 
ATOM   406  C CA  . ALA   A 1 56  ? -14.743 14.314  -13.283 1.000 22.086  0  301 ALA   A CA  1 
ATOM   407  C C   . ALA   A 1 56  ? -15.506 13.995  -11.996 1.000 20.216  0  301 ALA   A C   1 
ATOM   408  O O   . ALA   A 1 56  ? -15.093 13.090  -11.283 1.000 19.836  0  301 ALA   A O   1 
ATOM   409  C CB  . ALA   A 1 56  ? -13.498 15.135  -12.979 1.000 21.183  0  301 ALA   A CB  1 
ATOM   410  N N   . VAL   A 1 57  ? -16.563 14.738  -11.646 1.000 19.928  0  302 VAL   A N   1 
ATOM   411  C CA  . VAL   A 1 57  ? -17.268 14.389  -10.418 1.000 21.107  0  302 VAL   A CA  1 
ATOM   412  C C   . VAL   A 1 57  ? -18.732 14.069  -10.665 1.000 19.851  0  302 VAL   A C   1 
ATOM   413  O O   . VAL   A 1 57  ? -19.298 13.362  -9.844  1.000 19.616  0  302 VAL   A O   1 
ATOM   414  C CB  . VAL   A 1 57  ? -17.163 15.437  -9.293  1.000 21.835  0  302 VAL   A CB  1 
ATOM   415  C CG1 . VAL   A 1 57  ? -15.736 15.851  -9.061  1.000 21.732  0  302 VAL   A CG1 1 
ATOM   416  C CG2 . VAL   A 1 57  ? -18.045 16.648  -9.544  1.000 24.462  0  302 VAL   A CG2 1 
ATOM   417  N N   . THR   A 1 58  ? -19.329 14.604  -11.734 1.000 21.211  0  303 THR   A N   1 
ATOM   418  C CA  . THR   A 1 58  ? -20.760 14.449  -11.983 1.000 22.595  0  303 THR   A CA  1 
ATOM   419  C C   . THR   A 1 58  ? -21.063 13.156  -12.745 1.000 25.793  0  303 THR   A C   1 
ATOM   420  O O   . THR   A 1 58  ? -22.101 12.556  -12.510 1.000 30.570  0  303 THR   A O   1 
ATOM   421  C CB  . THR   A 1 58  ? -21.361 15.625  -12.776 1.000 21.293  0  303 THR   A CB  1 
ATOM   422  O OG1 . THR   A 1 58  ? -20.706 15.766  -14.039 1.000 19.842  0  303 THR   A OG1 1 
ATOM   423  C CG2 . THR   A 1 58  ? -21.306 16.946  -12.046 1.000 20.597  0  303 THR   A CG2 1 
ATOM   424  N N   . ASP   A 1 59  ? -20.173 12.724  -13.652 1.000 29.641  0  304 ASP   A N   1 
ATOM   425  C CA  . ASP   A 1 59  ? -20.422 11.593  -14.549 1.000 30.571  0  304 ASP   A CA  1 
ATOM   426  C C   . ASP   A 1 59  ? -19.811 10.305  -13.982 1.000 31.364  0  304 ASP   A C   1 
ATOM   427  O O   . ASP   A 1 59  ? -18.776 10.322  -13.315 1.000 30.872  0  304 ASP   A O   1 
ATOM   428  C CB  . ASP   A 1 59  ? -19.879 11.853  -15.965 1.000 30.638  0  304 ASP   A CB  1 
ATOM   429  C CG  . ASP   A 1 59  ? -20.595 12.956  -16.740 1.000 35.043  0  304 ASP   A CG  1 
ATOM   430  O OD1 . ASP   A 1 59  ? -21.258 13.815  -16.077 1.000 36.204  0  304 ASP   A OD1 1 
ATOM   431  O OD2 . ASP   A 1 59  ? -20.525 12.931  -18.010 1.000 34.158  0  304 ASP   A OD2 1 
ATOM   432  N N   . MET   A 1 60  ? -20.459 9.173   -14.282 1.000 33.227  0  305 MET   A N   1 
ATOM   433  C CA  . MET   A 1 60  ? -20.013 7.872   -13.812 1.000 32.953  0  305 MET   A CA  1 
ATOM   434  C C   . MET   A 1 60  ? -19.650 7.021   -15.020 1.000 31.304  0  305 MET   A C   1 
ATOM   435  O O   . MET   A 1 60  ? -20.299 7.094   -16.054 1.000 33.092  0  305 MET   A O   1 
ATOM   436  C CB  . MET   A 1 60  ? -21.057 7.150   -12.946 1.000 34.607  0  305 MET   A CB  1 
ATOM   437  C CG  . MET   A 1 60  ? -22.520 7.293   -13.338 1.000 35.613  0  305 MET   A CG  1 
ATOM   438  S SD  . MET   A 1 60  ? -23.557 6.399   -12.132 1.000 41.569  0  305 MET   A SD  1 
ATOM   439  C CE  . MET   A 1 60  ? -24.519 7.736   -11.429 1.000 45.392  0  305 MET   A CE  1 
ATOM   440  N N   . ILE   A 1 61  ? -18.571 6.253   -14.882 1.000 31.528  0  306 ILE   A N   1 
ATOM   441  C CA  . ILE   A 1 61  ? -18.130 5.333   -15.917 1.000 30.812  0  306 ILE   A CA  1 
ATOM   442  C C   . ILE   A 1 61  ? -17.957 3.939   -15.319 1.000 28.516  0  306 ILE   A C   1 
ATOM   443  O O   . ILE   A 1 61  ? -17.903 3.761   -14.105 1.000 27.321  0  306 ILE   A O   1 
ATOM   444  C CB  . ILE   A 1 61  ? -16.829 5.813   -16.600 1.000 30.806  0  306 ILE   A CB  1 
ATOM   445  C CG1 . ILE   A 1 61  ? -15.637 5.882   -15.634 1.000 32.262  0  306 ILE   A CG1 1 
ATOM   446  C CG2 . ILE   A 1 61  ? -17.072 7.131   -17.317 1.000 31.870  0  306 ILE   A CG2 1 
ATOM   447  C CD1 . ILE   A 1 61  ? -14.273 6.084   -16.321 1.000 34.123  0  306 ILE   A CD1 1 
ATOM   448  N N   . GLU   A 1 62  ? -17.839 2.956   -16.212 1.000 26.650  0  307 GLU   A N   1 
ATOM   449  C CA  . GLU   A 1 62  ? -17.377 1.638   -15.850 1.000 26.122  0  307 GLU   A CA  1 
ATOM   450  C C   . GLU   A 1 62  ? -15.854 1.663   -15.903 1.000 26.626  0  307 GLU   A C   1 
ATOM   451  O O   . GLU   A 1 62  ? -15.279 1.961   -16.951 1.000 27.804  0  307 GLU   A O   1 
ATOM   452  C CB  . GLU   A 1 62  ? -17.973 0.596   -16.790 1.000 27.130  0  307 GLU   A CB  1 
ATOM   453  C CG  . GLU   A 1 62  ? -19.469 0.456   -16.624 1.000 29.279  0  307 GLU   A CG  1 
ATOM   454  C CD  . GLU   A 1 62  ? -20.058 -0.746  -17.331 1.000 31.527  0  307 GLU   A CD  1 
ATOM   455  O OE1 . GLU   A 1 62  ? -20.722 -1.568  -16.650 1.000 33.875  0  307 GLU   A OE1 1 
ATOM   456  O OE2 . GLU   A 1 62  ? -19.833 -0.864  -18.555 1.000 33.619  0  307 GLU   A OE2 1 
ATOM   457  N N   . PRO   A 1 63  ? -15.162 1.381   -14.774 1.000 24.806  0  308 PRO   A N   1 
ATOM   458  C CA  . PRO   A 1 63  ? -13.702 1.470   -14.722 1.000 25.567  0  308 PRO   A CA  1 
ATOM   459  C C   . PRO   A 1 63  ? -12.983 0.543   -15.706 1.000 24.824  0  308 PRO   A C   1 
ATOM   460  O O   . PRO   A 1 63  ? -11.982 0.917   -16.292 1.000 28.092  0  308 PRO   A O   1 
ATOM   461  C CB  . PRO   A 1 63  ? -13.365 1.110   -13.255 1.000 26.255  0  308 PRO   A CB  1 
ATOM   462  C CG  . PRO   A 1 63  ? -14.582 0.361   -12.737 1.000 25.314  0  308 PRO   A CG  1 
ATOM   463  C CD  . PRO   A 1 63  ? -15.751 0.974   -13.485 1.000 25.767  0  308 PRO   A CD  1 
ATOM   464  N N   . GLY   A 1 64  ? -13.537 -0.652  -15.924 1.000 26.512  0  309 GLY   A N   1 
ATOM   465  C CA  . GLY   A 1 64  ? -12.925 -1.649  -16.782 1.000 24.613  0  309 GLY   A CA  1 
ATOM   466  C C   . GLY   A 1 64  ? -11.643 -2.161  -16.144 1.000 23.593  0  309 GLY   A C   1 
ATOM   467  O O   . GLY   A 1 64  ? -11.631 -2.525  -14.969 1.000 23.797  0  309 GLY   A O   1 
ATOM   468  N N   . SER   A 1 65  ? -10.567 -2.122  -16.924 1.000 21.143  0  310 SER   A N   1 
ATOM   469  C CA  . SER   A 1 65  ? -9.333  -2.781  -16.562 1.000 21.753  0  310 SER   A CA  1 
ATOM   470  C C   . SER   A 1 65  ? -8.654  -2.071  -15.403 1.000 20.346  0  310 SER   A C   1 
ATOM   471  O O   . SER   A 1 65  ? -7.814  -2.638  -14.712 1.000 19.178  0  310 SER   A O   1 
ATOM   472  C CB  . SER   A 1 65  ? -8.447  -2.895  -17.769 1.000 23.937  0  310 SER   A CB  1 
ATOM   473  O OG  . SER   A 1 65  ? -8.960  -3.913  -18.636 1.000 28.076  0  310 SER   A OG  1 
ATOM   474  N N   . ALA   A 1 66  ? -9.061  -0.830  -15.171 1.000 21.601  0  311 ALA   A N   1 
ATOM   475  C CA  . ALA   A 1 66  ? -8.505  -0.021  -14.099 1.000 21.870  0  311 ALA   A CA  1 
ATOM   476  C C   . ALA   A 1 66  ? -8.951  -0.510  -12.721 1.000 21.442  0  311 ALA   A C   1 
ATOM   477  O O   . ALA   A 1 66  ? -8.391  -0.050  -11.736 1.000 19.819  0  311 ALA   A O   1 
ATOM   478  C CB  . ALA   A 1 66  ? -8.892  1.411   -14.317 1.000 21.169  0  311 ALA   A CB  1 
ATOM   479  N N   . MET   A 1 67  ? -9.920  -1.448  -12.682 1.000 23.582  0  312 MET   A N   1 
ATOM   480  C CA  . MET   A 1 67  ? -10.454 -2.051  -11.468 1.000 24.974  0  312 MET   A CA  1 
ATOM   481  C C   . MET   A 1 67  ? -9.621  -3.265  -11.050 1.000 24.329  0  312 MET   A C   1 
ATOM   482  O O   . MET   A 1 67  ? -9.602  -3.674  -9.891  1.000 24.223  0  312 MET   A O   1 
ATOM   483  C CB  . MET   A 1 67  ? -11.887 -2.479  -11.768 1.000 29.419  0  312 MET   A CB  1 
ATOM   484  C CG  . MET   A 1 67  ? -12.646 -3.052  -10.587 1.000 38.446  0  312 MET   A CG  1 
ATOM   485  S SD  . MET   A 1 67  ? -12.610 -2.066  -9.048  1.000 53.668  0  312 MET   A SD  1 
ATOM   486  C CE  . MET   A 1 67  ? -13.176 -0.443  -9.573  1.000 42.015  0  312 MET   A CE  1 
ATOM   487  N N   . LYS   A 1 68  ? -8.893  -3.833  -12.016 1.000 22.668  0  313 LYS   A N   1 
ATOM   488  C CA  . LYS   A 1 68  ? -8.166  -5.074  -11.833 1.000 21.287  0  313 LYS   A CA  1 
ATOM   489  C C   . LYS   A 1 68  ? -7.136  -5.025  -10.704 1.000 21.178  0  313 LYS   A C   1 
ATOM   490  O O   . LYS   A 1 68  ? -6.944  -6.010  -9.998  1.000 21.505  0  313 LYS   A O   1 
ATOM   491  C CB  . LYS   A 1 68  ? -7.504  -5.433  -13.161 1.000 22.025  0  313 LYS   A CB  1 
ATOM   492  C CG  . LYS   A 1 68  ? -8.488  -6.064  -14.141 1.000 22.214  0  313 LYS   A CG  1 
ATOM   493  C CD  . LYS   A 1 68  ? -7.994  -6.249  -15.529 1.000 22.099  0  313 LYS   A CD  1 
ATOM   494  C CE  . LYS   A 1 68  ? -9.066  -6.912  -16.365 1.000 24.987  0  313 LYS   A CE  1 
ATOM   495  N NZ  . LYS   A 1 68  ? -8.827  -6.708  -17.812 1.000 27.397  0  313 LYS   A NZ  1 
ATOM   496  N N   . PRO   A 1 69  ? -6.362  -3.942  -10.513 1.000 18.627  0  314 PRO   A N   1 
ATOM   497  C CA  . PRO   A 1 69  ? -5.394  -3.932  -9.425  1.000 18.169  0  314 PRO   A CA  1 
ATOM   498  C C   . PRO   A 1 69  ? -6.004  -4.149  -8.046  1.000 17.340  0  314 PRO   A C   1 
ATOM   499  O O   . PRO   A 1 69  ? -5.347  -4.718  -7.200  1.000 18.459  0  314 PRO   A O   1 
ATOM   500  C CB  . PRO   A 1 69  ? -4.738  -2.549  -9.553  1.000 19.305  0  314 PRO   A CB  1 
ATOM   501  C CG  . PRO   A 1 69  ? -4.907  -2.210  -11.027 1.000 19.301  0  314 PRO   A CG  1 
ATOM   502  C CD  . PRO   A 1 69  ? -6.291  -2.743  -11.357 1.000 18.994  0  314 PRO   A CD  1 
ATOM   503  N N   . PHE   A 1 70  ? -7.259  -3.747  -7.833  1.000 17.947  0  315 PHE   A N   1 
ATOM   504  C CA  . PHE   A 1 70  ? -7.948  -3.946  -6.564  1.000 17.444  0  315 PHE   A CA  1 
ATOM   505  C C   . PHE   A 1 70  ? -8.296  -5.410  -6.327  1.000 19.059  0  315 PHE   A C   1 
ATOM   506  O O   . PHE   A 1 70  ? -8.159  -5.901  -5.201  1.000 18.179  0  315 PHE   A O   1 
ATOM   507  C CB  . PHE   A 1 70  ? -9.225  -3.118  -6.522  1.000 16.343  0  315 PHE   A CB  1 
ATOM   508  C CG  . PHE   A 1 70  ? -8.910  -1.654  -6.655  1.000 17.720  0  315 PHE   A CG  1 
ATOM   509  C CD1 . PHE   A 1 70  ? -8.152  -1.014  -5.692  1.000 17.492  0  315 PHE   A CD1 1 
ATOM   510  C CD2 . PHE   A 1 70  ? -9.253  -0.948  -7.797  1.000 19.420  0  315 PHE   A CD2 1 
ATOM   511  C CE1 . PHE   A 1 70  ? -7.803  0.311   -5.836  1.000 17.530  0  315 PHE   A CE1 1 
ATOM   512  C CE2 . PHE   A 1 70  ? -8.937  0.391   -7.922  1.000 19.059  0  315 PHE   A CE2 1 
ATOM   513  C CZ  . PHE   A 1 70  ? -8.219  1.015   -6.931  1.000 18.741  0  315 PHE   A CZ  1 
ATOM   514  N N   . THR   A 1 71  ? -8.806  -6.081  -7.372  1.000 18.986  0  316 THR   A N   1 
ATOM   515  C CA  . THR   A 1 71  ? -9.163  -7.483  -7.243  1.000 16.908  0  316 THR   A CA  1 
ATOM   516  C C   . THR   A 1 71  ? -7.923  -8.272  -6.826  1.000 15.706  0  316 THR   A C   1 
ATOM   517  O O   . THR   A 1 71  ? -7.991  -9.117  -5.928  1.000 14.861  0  316 THR   A O   1 
ATOM   518  C CB  . THR   A 1 71  ? -9.782  -7.997  -8.538  1.000 17.214  0  316 THR   A CB  1 
ATOM   519  O OG1 . THR   A 1 71  ? -11.023 -7.337  -8.778  1.000 17.343  0  316 THR   A OG1 1 
ATOM   520  C CG2 . THR   A 1 71  ? -10.011 -9.485  -8.464  1.000 19.772  0  316 THR   A CG2 1 
ATOM   521  N N   . ILE   A 1 72  ? -6.784  -7.946  -7.457  1.000 14.455  0  317 ILE   A N   1 
ATOM   522  C CA  . ILE   A 1 72  ? -5.490  -8.525  -7.119  1.000 14.742  0  317 ILE   A CA  1 
ATOM   523  C C   . ILE   A 1 72  ? -5.093  -8.127  -5.694  1.000 14.901  0  317 ILE   A C   1 
ATOM   524  O O   . ILE   A 1 72  ? -4.515  -8.937  -4.964  1.000 15.210  0  317 ILE   A O   1 
ATOM   525  C CB  . ILE   A 1 72  ? -4.419  -8.067  -8.130  1.000 15.262  0  317 ILE   A CB  1 
ATOM   526  C CG1 . ILE   A 1 72  ? -4.629  -8.719  -9.499  1.000 16.229  0  317 ILE   A CG1 1 
ATOM   527  C CG2 . ILE   A 1 72  ? -2.991  -8.269  -7.626  1.000 14.715  0  317 ILE   A CG2 1 
ATOM   528  C CD1 . ILE   A 1 72  ? -4.088  -7.900  -10.659 1.000 17.270  0  317 ILE   A CD1 1 
ATOM   529  N N   . ALA   A 1 73  ? -5.368  -6.872  -5.332  1.000 13.592  0  318 ALA   A N   1 
ATOM   530  C CA  . ALA   A 1 73  ? -5.025  -6.369  -4.017  1.000 14.611  0  318 ALA   A CA  1 
ATOM   531  C C   . ALA   A 1 73  ? -5.757  -7.194  -2.971  1.000 14.843  0  318 ALA   A C   1 
ATOM   532  O O   . ALA   A 1 73  ? -5.184  -7.527  -1.932  1.000 16.152  0  318 ALA   A O   1 
ATOM   533  C CB  . ALA   A 1 73  ? -5.319  -4.872  -3.869  1.000 14.536  0  318 ALA   A CB  1 
ATOM   534  N N   . LYS   A 1 74  ? -6.992  -7.559  -3.285  1.000 15.117  0  319 LYS   A N   1 
ATOM   535  C CA  . LYS   A 1 74  ? -7.865  -8.195  -2.321  1.000 16.690  0  319 LYS   A CA  1 
ATOM   536  C C   . LYS   A 1 74  ? -7.440  -9.644  -2.099  1.000 17.861  0  319 LYS   A C   1 
ATOM   537  O O   . LYS   A 1 74  ? -7.354  -10.136 -0.960  1.000 16.932  0  319 LYS   A O   1 
ATOM   538  C CB  . LYS   A 1 74  ? -9.284  -8.117  -2.880  1.000 17.909  0  319 LYS   A CB  1 
ATOM   539  C CG  . LYS   A 1 74  ? -10.285 -9.067  -2.252  1.000 18.677  0  319 LYS   A CG  1 
ATOM   540  C CD  . LYS   A 1 74  ? -10.473 -8.944  -0.759  1.000 19.327  0  319 LYS   A CD  1 
ATOM   541  C CE  . LYS   A 1 74  ? -11.856 -9.452  -0.414  1.000 21.818  0  319 LYS   A CE  1 
ATOM   542  N NZ  . LYS   A 1 74  ? -11.978 -9.663  1.038   1.000 24.629  0  319 LYS   A NZ  1 
ATOM   543  N N   . ALA   A 1 75  ? -7.205  -10.306 -3.237  1.000 19.141  0  320 ALA   A N   1 
ATOM   544  C CA  . ALA   A 1 75  ? -6.672  -11.655 -3.266  1.000 20.341  0  320 ALA   A CA  1 
ATOM   545  C C   . ALA   A 1 75  ? -5.379  -11.765 -2.457  1.000 19.728  0  320 ALA   A C   1 
ATOM   546  O O   . ALA   A 1 75  ? -5.284  -12.624 -1.583  1.000 22.096  0  320 ALA   A O   1 
ATOM   547  C CB  . ALA   A 1 75  ? -6.472  -12.074 -4.691  1.000 21.163  0  320 ALA   A CB  1 
ATOM   548  N N   . LEU   A 1 76  ? -4.377  -10.927 -2.737  1.000 18.905  0  321 LEU   A N   1 
ATOM   549  C CA  . LEU   A 1 76  ? -3.141  -10.987 -1.954  1.000 18.794  0  321 LEU   A CA  1 
ATOM   550  C C   . LEU   A 1 76  ? -3.403  -10.640 -0.487  1.000 18.907  0  321 LEU   A C   1 
ATOM   551  O O   . LEU   A 1 76  ? -2.698  -11.109 0.391   1.000 18.988  0  321 LEU   A O   1 
ATOM   552  C CB  . LEU   A 1 76  ? -2.093  -10.019 -2.502  1.000 17.980  0  321 LEU   A CB  1 
ATOM   553  C CG  . LEU   A 1 76  ? -1.599  -10.286 -3.920  1.000 18.471  0  321 LEU   A CG  1 
ATOM   554  C CD1 . LEU   A 1 76  ? -0.668  -9.173  -4.362  1.000 19.544  0  321 LEU   A CD1 1 
ATOM   555  C CD2 . LEU   A 1 76  ? -0.896  -11.612 -4.026  1.000 17.364  0  321 LEU   A CD2 1 
ATOM   556  N N   . ASP   A 1 77  ? -4.347  -9.739  -0.215  1.000 19.260  0  322 ASP   A N   1 
ATOM   557  C CA  . ASP   A 1 77  ? -4.475  -9.253  1.143   1.000 19.840  0  322 ASP   A CA  1 
ATOM   558  C C   . ASP   A 1 77  ? -4.998  -10.399 2.013   1.000 19.717  0  322 ASP   A C   1 
ATOM   559  O O   . ASP   A 1 77  ? -4.681  -10.493 3.193   1.000 17.056  0  322 ASP   A O   1 
ATOM   560  C CB  . ASP   A 1 77  ? -5.345  -7.994  1.234   1.000 20.949  0  322 ASP   A CB  1 
ATOM   561  C CG  . ASP   A 1 77  ? -5.113  -7.245  2.545   1.000 22.213  0  322 ASP   A CG  1 
ATOM   562  O OD1 . ASP   A 1 77  ? -3.937  -6.924  2.860   1.000 22.283  0  322 ASP   A OD1 1 
ATOM   563  O OD2 . ASP   A 1 77  ? -6.092  -6.971  3.236   1.000 23.021  0  322 ASP   A OD2 1 
ATOM   564  N N   . SER   A 1 78  ? -5.762  -11.289 1.377   1.000 19.050  0  323 SER   A N   1 
ATOM   565  C CA  . SER   A 1 78  ? -6.485  -12.351 2.045   1.000 18.128  0  323 SER   A CA  1 
ATOM   566  C C   . SER   A 1 78  ? -5.529  -13.413 2.578   1.000 19.902  0  323 SER   A C   1 
ATOM   567  O O   . SER   A 1 78  ? -5.905  -14.116 3.513   1.000 21.408  0  323 SER   A O   1 
ATOM   568  C CB  . SER   A 1 78  ? -7.497  -12.948 1.095   1.000 17.252  0  323 SER   A CB  1 
ATOM   569  O OG  . SER   A 1 78  ? -6.872  -13.688 0.060   1.000 15.855  0  323 SER   A OG  1 
ATOM   570  N N   . GLY   A 1 79  ? -4.329  -13.530 1.980   1.000 19.681  0  324 GLY   A N   1 
ATOM   571  C CA  . GLY   A 1 79  ? -3.361  -14.547 2.348   1.000 19.542  0  324 GLY   A CA  1 
ATOM   572  C C   . GLY   A 1 79  ? -3.497  -15.809 1.497   1.000 22.531  0  324 GLY   A C   1 
ATOM   573  O O   . GLY   A 1 79  ? -2.708  -16.730 1.628   1.000 24.031  0  324 GLY   A O   1 
ATOM   574  N N   . LYS   A 1 80  ? -4.496  -15.858 0.610   1.000 24.319  0  325 LYS   A N   1 
ATOM   575  C CA  . LYS   A 1 80  ? -4.847  -17.084 -0.088  1.000 23.525  0  325 LYS   A CA  1 
ATOM   576  C C   . LYS   A 1 80  ? -4.131  -17.158 -1.424  1.000 23.685  0  325 LYS   A C   1 
ATOM   577  O O   . LYS   A 1 80  ? -4.180  -18.177 -2.105  1.000 24.416  0  325 LYS   A O   1 
ATOM   578  C CB  . LYS   A 1 80  ? -6.339  -17.155 -0.403  1.000 26.131  0  325 LYS   A CB  1 
ATOM   579  C CG  . LYS   A 1 80  ? -7.271  -17.209 0.799   1.000 30.570  0  325 LYS   A CG  1 
ATOM   580  C CD  . LYS   A 1 80  ? -8.737  -17.116 0.404   1.000 33.789  0  325 LYS   A CD  1 
ATOM   581  C CE  . LYS   A 1 80  ? -9.668  -17.320 1.586   1.000 40.184  0  325 LYS   A CE  1 
ATOM   582  N NZ  . LYS   A 1 80  ? -11.067 -16.960 1.231   1.000 42.700  0  325 LYS   A NZ  1 
ATOM   583  N N   . VAL   A 1 81  ? -3.482  -16.064 -1.808  1.000 22.696  0  326 VAL   A N   1 
ATOM   584  C CA  . VAL   A 1 81  ? -2.836  -15.990 -3.101  1.000 21.629  0  326 VAL   A CA  1 
ATOM   585  C C   . VAL   A 1 81  ? -1.527  -15.256 -2.883  1.000 20.220  0  326 VAL   A C   1 
ATOM   586  O O   . VAL   A 1 81  ? -1.470  -14.285 -2.171  1.000 18.709  0  326 VAL   A O   1 
ATOM   587  C CB  . VAL   A 1 81  ? -3.716  -15.263 -4.144  1.000 21.742  0  326 VAL   A CB  1 
ATOM   588  C CG1 . VAL   A 1 81  ? -2.954  -14.930 -5.421  1.000 21.812  0  326 VAL   A CG1 1 
ATOM   589  C CG2 . VAL   A 1 81  ? -4.982  -16.036 -4.460  1.000 21.163  0  326 VAL   A CG2 1 
ATOM   590  N N   . ASP   A 1 82  ? -0.490  -15.741 -3.523  1.000 21.664  0  327 ASP   A N   1 
ATOM   591  C CA  . ASP   A 1 82  ? 0.789   -15.083 -3.553  1.000 21.420  0  327 ASP   A CA  1 
ATOM   592  C C   . ASP   A 1 82  ? 1.011   -14.633 -4.994  1.000 22.371  0  327 ASP   A C   1 
ATOM   593  O O   . ASP   A 1 82  ? 0.509   -15.244 -5.926  1.000 22.811  0  327 ASP   A O   1 
ATOM   594  C CB  . ASP   A 1 82  ? 1.788   -16.094 -3.019  1.000 22.350  0  327 ASP   A CB  1 
ATOM   595  C CG  . ASP   A 1 82  ? 3.220   -15.650 -3.061  1.000 23.594  0  327 ASP   A CG  1 
ATOM   596  O OD1 . ASP   A 1 82  ? 3.825   -15.742 -4.145  1.000 27.522  0  327 ASP   A OD1 1 
ATOM   597  O OD2 . ASP   A 1 82  ? 3.697   -15.250 -2.017  1.000 23.788  0  327 ASP   A OD2 1 
ATOM   598  N N   . ALA   A 1 83  ? 1.742   -13.538 -5.172  1.000 24.227  0  328 ALA   A N   1 
ATOM   599  C CA  . ALA   A 1 83  ? 2.074   -13.003 -6.484  1.000 25.544  0  328 ALA   A CA  1 
ATOM   600  C C   . ALA   A 1 83  ? 2.609   -14.045 -7.465  1.000 26.941  0  328 ALA   A C   1 
ATOM   601  O O   . ALA   A 1 83  ? 2.458   -13.844 -8.673  1.000 28.062  0  328 ALA   A O   1 
ATOM   602  C CB  . ALA   A 1 83  ? 3.098   -11.903 -6.322  1.000 26.472  0  328 ALA   A CB  1 
ATOM   603  N N   . THR   A 1 84  ? 3.308   -15.090 -6.975  1.000 26.154  0  329 THR   A N   1 
ATOM   604  C CA  . THR   A 1 84  ? 3.984   -16.031 -7.871  1.000 25.254  0  329 THR   A CA  1 
ATOM   605  C C   . THR   A 1 84  ? 3.035   -17.111 -8.389  1.000 25.990  0  329 THR   A C   1 
ATOM   606  O O   . THR   A 1 84  ? 3.472   -17.963 -9.144  1.000 33.659  0  329 THR   A O   1 
ATOM   607  C CB  . THR   A 1 84  ? 5.203   -16.719 -7.213  1.000 23.442  0  329 THR   A CB  1 
ATOM   608  O OG1 . THR   A 1 84  ? 4.813   -17.425 -6.019  1.000 24.663  0  329 THR   A OG1 1 
ATOM   609  C CG2 . THR   A 1 84  ? 6.334   -15.757 -6.905  1.000 19.467  0  329 THR   A CG2 1 
ATOM   610  N N   . ASP   A 1 85  ? 1.767   -17.103 -7.974  1.000 25.527  0  330 ASP   A N   1 
ATOM   611  C CA  . ASP   A 1 85  ? 0.827   -18.179 -8.259  1.000 26.628  0  330 ASP   A CA  1 
ATOM   612  C C   . ASP   A 1 85  ? 0.392   -18.105 -9.718  1.000 27.718  0  330 ASP   A C   1 
ATOM   613  O O   . ASP   A 1 85  ? 0.133   -17.017 -10.234 1.000 29.663  0  330 ASP   A O   1 
ATOM   614  C CB  . ASP   A 1 85  ? -0.438  -18.091 -7.385  1.000 26.549  0  330 ASP   A CB  1 
ATOM   615  C CG  . ASP   A 1 85  ? -0.350  -18.690 -5.987  1.000 25.290  0  330 ASP   A CG  1 
ATOM   616  O OD1 . ASP   A 1 85  ? 0.578   -19.458 -5.726  1.000 25.613  0  330 ASP   A OD1 1 
ATOM   617  O OD2 . ASP   A 1 85  ? -1.235  -18.408 -5.185  1.000 27.400  0  330 ASP   A OD2 1 
ATOM   618  N N   . THR   A 1 86  ? 0.268   -19.280 -10.339 1.000 27.683  0  331 THR   A N   1 
ATOM   619  C CA  . THR   A 1 86  ? -0.056  -19.425 -11.749 1.000 26.621  0  331 THR   A CA  1 
ATOM   620  C C   . THR   A 1 86  ? -1.531  -19.790 -11.881 1.000 25.508  0  331 THR   A C   1 
ATOM   621  O O   . THR   A 1 86  ? -2.080  -20.500 -11.049 1.000 24.695  0  331 THR   A O   1 
ATOM   622  C CB  . THR   A 1 86  ? 0.898   -20.445 -12.403 1.000 29.061  0  331 THR   A CB  1 
ATOM   623  O OG1 . THR   A 1 86  ? 2.181   -19.832 -12.389 1.000 26.644  0  331 THR   A OG1 1 
ATOM   624  C CG2 . THR   A 1 86  ? 0.589   -20.784 -13.850 1.000 31.028  0  331 THR   A CG2 1 
ATOM   625  N N   . PHE   A 1 87  ? -2.166  -19.292 -12.943 1.000 25.234  0  332 PHE   A N   1 
ATOM   626  C CA  . PHE   A 1 87  ? -3.575  -19.519 -13.192 1.000 24.797  0  332 PHE   A CA  1 
ATOM   627  C C   . PHE   A 1 87  ? -3.783  -19.950 -14.641 1.000 22.765  0  332 PHE   A C   1 
ATOM   628  O O   . PHE   A 1 87  ? -3.131  -19.453 -15.545 1.000 22.576  0  332 PHE   A O   1 
ATOM   629  C CB  . PHE   A 1 87  ? -4.373  -18.254 -12.853 1.000 26.920  0  332 PHE   A CB  1 
ATOM   630  C CG  . PHE   A 1 87  ? -4.506  -18.012 -11.369 1.000 31.398  0  332 PHE   A CG  1 
ATOM   631  C CD1 . PHE   A 1 87  ? -5.487  -18.669 -10.626 1.000 31.583  0  332 PHE   A CD1 1 
ATOM   632  C CD2 . PHE   A 1 87  ? -3.591  -17.211 -10.694 1.000 31.164  0  332 PHE   A CD2 1 
ATOM   633  C CE1 . PHE   A 1 87  ? -5.590  -18.476 -9.258  1.000 30.692  0  332 PHE   A CE1 1 
ATOM   634  C CE2 . PHE   A 1 87  ? -3.683  -17.045 -9.318  1.000 32.674  0  332 PHE   A CE2 1 
ATOM   635  C CZ  . PHE   A 1 87  ? -4.679  -17.681 -8.603  1.000 31.509  0  332 PHE   A CZ  1 
ATOM   636  N N   . ASN   A 1 88  ? -4.726  -20.860 -14.854 1.000 23.203  0  333 ASN   A N   1 
ATOM   637  C CA  . ASN   A 1 88  ? -5.165  -21.198 -16.187 1.000 27.334  0  333 ASN   A CA  1 
ATOM   638  C C   . ASN   A 1 88  ? -5.985  -19.998 -16.668 1.000 27.258  0  333 ASN   A C   1 
ATOM   639  O O   . ASN   A 1 88  ? -6.928  -19.610 -15.994 1.000 24.135  0  333 ASN   A O   1 
ATOM   640  C CB  . ASN   A 1 88  ? -5.905  -22.549 -16.219 1.000 31.605  0  333 ASN   A CB  1 
ATOM   641  C CG  . ASN   A 1 88  ? -6.471  -22.886 -17.589 1.000 34.151  0  333 ASN   A CG  1 
ATOM   642  O OD1 . ASN   A 1 88  ? -5.728  -23.219 -18.510 1.000 40.586  0  333 ASN   A OD1 1 
ATOM   643  N ND2 . ASN   A 1 88  ? -7.772  -22.746 -17.752 1.000 33.413  0  333 ASN   A ND2 1 
ATOM   644  N N   . THR   A 1 89  ? -5.588  -19.393 -17.802 1.000 25.337  0  334 THR   A N   1 
ATOM   645  C CA  . THR   A 1 89  ? -6.177  -18.144 -18.259 1.000 26.304  0  334 THR   A CA  1 
ATOM   646  C C   . THR   A 1 89  ? -6.867  -18.335 -19.615 1.000 26.117  0  334 THR   A C   1 
ATOM   647  O O   . THR   A 1 89  ? -7.144  -17.386 -20.333 1.000 22.480  0  334 THR   A O   1 
ATOM   648  C CB  . THR   A 1 89  ? -5.104  -17.053 -18.268 1.000 27.113  0  334 THR   A CB  1 
ATOM   649  O OG1 . THR   A 1 89  ? -3.927  -17.677 -18.777 1.000 31.370  0  334 THR   A OG1 1 
ATOM   650  C CG2 . THR   A 1 89  ? -4.813  -16.487 -16.896 1.000 28.551  0  334 THR   A CG2 1 
ATOM   651  N N   . LEU   A 1 90  ? -7.210  -19.581 -19.932 1.000 31.538  0  335 LEU   A N   1 
ATOM   652  C CA  . LEU   A 1 90  ? -7.933  -19.874 -21.151 1.000 32.648  0  335 LEU   A CA  1 
ATOM   653  C C   . LEU   A 1 90  ? -9.396  -19.495 -20.968 1.000 31.836  0  335 LEU   A C   1 
ATOM   654  O O   . LEU   A 1 90  ? -9.923  -19.488 -19.851 1.000 28.093  0  335 LEU   A O   1 
ATOM   655  C CB  . LEU   A 1 90  ? -7.764  -21.364 -21.474 1.000 35.731  0  335 LEU   A CB  1 
ATOM   656  C CG  . LEU   A 1 90  ? -6.332  -21.794 -21.823 1.000 35.238  0  335 LEU   A CG  1 
ATOM   657  C CD1 . LEU   A 1 90  ? -6.236  -23.301 -21.927 1.000 34.038  0  335 LEU   A CD1 1 
ATOM   658  C CD2 . LEU   A 1 90  ? -5.854  -21.156 -23.118 1.000 34.288  0  335 LEU   A CD2 1 
ATOM   659  N N   . PRO   A 1 91  ? -10.100 -19.210 -22.085 1.000 33.624  0  336 PRO   A N   1 
ATOM   660  C CA  . PRO   A 1 91  ? -11.532 -18.901 -22.048 1.000 33.213  0  336 PRO   A CA  1 
ATOM   661  C C   . PRO   A 1 91  ? -12.269 -19.959 -21.243 1.000 29.838  0  336 PRO   A C   1 
ATOM   662  O O   . PRO   A 1 91  ? -11.864 -21.107 -21.248 1.000 28.833  0  336 PRO   A O   1 
ATOM   663  C CB  . PRO   A 1 91  ? -11.956 -18.968 -23.522 1.000 32.029  0  336 PRO   A CB  1 
ATOM   664  C CG  . PRO   A 1 91  ? -10.685 -18.638 -24.286 1.000 30.884  0  336 PRO   A CG  1 
ATOM   665  C CD  . PRO   A 1 91  ? -9.575  -19.249 -23.457 1.000 32.273  0  336 PRO   A CD  1 
ATOM   666  N N   . TYR   A 1 92  ? -13.326 -19.579 -20.539 1.000 31.560  0  337 TYR   A N   1 
ATOM   667  C CA  . TYR   A 1 92  ? -14.113 -20.574 -19.833 1.000 34.309  0  337 TYR   A CA  1 
ATOM   668  C C   . TYR   A 1 92  ? -15.536 -20.055 -19.662 1.000 38.041  0  337 TYR   A C   1 
ATOM   669  O O   . TYR   A 1 92  ? -15.868 -18.931 -20.058 1.000 40.130  0  337 TYR   A O   1 
ATOM   670  C CB  . TYR   A 1 92  ? -13.443 -20.942 -18.512 1.000 36.709  0  337 TYR   A CB  1 
ATOM   671  C CG  . TYR   A 1 92  ? -13.577 -19.890 -17.438 1.000 44.242  0  337 TYR   A CG  1 
ATOM   672  C CD1 . TYR   A 1 92  ? -12.772 -18.757 -17.430 1.000 38.535  0  337 TYR   A CD1 1 
ATOM   673  C CD2 . TYR   A 1 92  ? -14.549 -20.009 -16.447 1.000 45.856  0  337 TYR   A CD2 1 
ATOM   674  C CE1 . TYR   A 1 92  ? -12.901 -17.798 -16.440 1.000 40.768  0  337 TYR   A CE1 1 
ATOM   675  C CE2 . TYR   A 1 92  ? -14.689 -19.057 -15.448 1.000 44.396  0  337 TYR   A CE2 1 
ATOM   676  C CZ  . TYR   A 1 92  ? -13.857 -17.947 -15.439 1.000 42.065  0  337 TYR   A CZ  1 
ATOM   677  O OH  . TYR   A 1 92  ? -14.011 -16.997 -14.457 1.000 32.056  0  337 TYR   A OH  1 
ATOM   678  N N   . LYS   A 1 93  ? -16.364 -20.914 -19.074 1.000 41.617  0  338 LYS   A N   1 
ATOM   679  C CA  . LYS   A 1 93  ? -17.811 -20.772 -19.097 1.000 45.974  0  338 LYS   A CA  1 
ATOM   680  C C   . LYS   A 1 93  ? -18.322 -20.515 -17.683 1.000 42.921  0  338 LYS   A C   1 
ATOM   681  O O   . LYS   A 1 93  ? -17.957 -21.213 -16.738 1.000 37.775  0  338 LYS   A O   1 
ATOM   682  C CB  . LYS   A 1 93  ? -18.438 -22.054 -19.667 1.000 48.721  0  338 LYS   A CB  1 
ATOM   683  C CG  . LYS   A 1 93  ? -18.197 -22.299 -21.150 1.000 51.582  0  338 LYS   A CG  1 
ATOM   684  C CD  . LYS   A 1 93  ? -19.036 -21.391 -22.066 1.000 57.073  0  338 LYS   A CD  1 
ATOM   685  C CE  . LYS   A 1 93  ? -20.395 -21.966 -22.438 1.000 57.518  0  338 LYS   A CE  1 
ATOM   686  N NZ  . LYS   A 1 93  ? -21.153 -21.067 -23.342 1.000 52.732  0  338 LYS   A NZ  1 
ATOM   687  N N   . ILE   A 1 94  ? -19.170 -19.500 -17.536 1.000 45.097  0  339 ILE   A N   1 
ATOM   688  C CA  . ILE   A 1 94  ? -19.974 -19.394 -16.333 1.000 47.152  0  339 ILE   A CA  1 
ATOM   689  C C   . ILE   A 1 94  ? -21.420 -19.604 -16.755 1.000 45.913  0  339 ILE   A C   1 
ATOM   690  O O   . ILE   A 1 94  ? -22.077 -18.674 -17.236 1.000 31.561  0  339 ILE   A O   1 
ATOM   691  C CB  . ILE   A 1 94  ? -19.730 -18.082 -15.561 1.000 50.803  0  339 ILE   A CB  1 
ATOM   692  C CG1 . ILE   A 1 94  ? -18.233 -17.933 -15.258 1.000 49.611  0  339 ILE   A CG1 1 
ATOM   693  C CG2 . ILE   A 1 94  ? -20.589 -18.035 -14.295 1.000 47.856  0  339 ILE   A CG2 1 
ATOM   694  C CD1 . ILE   A 1 94  ? -17.878 -16.780 -14.350 1.000 51.368  0  339 ILE   A CD1 1 
ATOM   695  N N   . GLY   A 1 95  ? -21.838 -20.864 -16.529 1.000 47.296  0  340 GLY   A N   1 
ATOM   696  C CA  . GLY   A 1 95  ? -23.019 -21.464 -17.112 1.000 46.044  0  340 GLY   A CA  1 
ATOM   697  C C   . GLY   A 1 95  ? -23.051 -21.195 -18.610 1.000 47.082  0  340 GLY   A C   1 
ATOM   698  O O   . GLY   A 1 95  ? -22.255 -21.729 -19.390 1.000 41.515  0  340 GLY   A O   1 
ATOM   699  N N   . SER   A 1 96  ? -23.938 -20.266 -18.943 1.000 44.292  0  341 SER   A N   1 
ATOM   700  C CA  . SER   A 1 96  ? -24.316 -19.956 -20.299 1.000 46.777  0  341 SER   A CA  1 
ATOM   701  C C   . SER   A 1 96  ? -23.352 -18.943 -20.930 1.000 49.268  0  341 SER   A C   1 
ATOM   702  O O   . SER   A 1 96  ? -23.450 -18.709 -22.129 1.000 52.519  0  341 SER   A O   1 
ATOM   703  C CB  . SER   A 1 96  ? -25.745 -19.469 -20.245 1.000 50.814  0  341 SER   A CB  1 
ATOM   704  O OG  . SER   A 1 96  ? -26.143 -18.892 -21.465 1.000 54.015  0  341 SER   A OG  1 
ATOM   705  N N   . ALA   A 1 97  ? -22.424 -18.356 -20.140 1.000 47.946  0  342 ALA   A N   1 
ATOM   706  C CA  . ALA   A 1 97  ? -21.591 -17.237 -20.576 1.000 40.461  0  342 ALA   A CA  1 
ATOM   707  C C   . ALA   A 1 97  ? -20.122 -17.639 -20.638 1.000 41.206  0  342 ALA   A C   1 
ATOM   708  O O   . ALA   A 1 97  ? -19.715 -18.640 -20.048 1.000 43.333  0  342 ALA   A O   1 
ATOM   709  C CB  . ALA   A 1 97  ? -21.753 -16.070 -19.642 1.000 40.579  0  342 ALA   A CB  1 
ATOM   710  N N   . THR   A 1 98  ? -19.341 -16.805 -21.342 1.000 43.302  0  343 THR   A N   1 
ATOM   711  C CA  . THR   A 1 98  ? -17.943 -17.077 -21.652 1.000 45.161  0  343 THR   A CA  1 
ATOM   712  C C   . THR   A 1 98  ? -17.058 -15.912 -21.202 1.000 40.828  0  343 THR   A C   1 
ATOM   713  O O   . THR   A 1 98  ? -17.228 -14.793 -21.679 1.000 38.097  0  343 THR   A O   1 
ATOM   714  C CB  . THR   A 1 98  ? -17.767 -17.362 -23.156 1.000 45.412  0  343 THR   A CB  1 
ATOM   715  O OG1 . THR   A 1 98  ? -18.271 -18.687 -23.347 1.000 50.430  0  343 THR   A OG1 1 
ATOM   716  C CG2 . THR   A 1 98  ? -16.334 -17.278 -23.646 1.000 40.563  0  343 THR   A CG2 1 
ATOM   717  N N   . VAL   A 1 99  ? -16.086 -16.191 -20.317 1.000 36.397  0  344 VAL   A N   1 
ATOM   718  C CA  . VAL   A 1 99  ? -15.069 -15.206 -19.977 1.000 33.830  0  344 VAL   A CA  1 
ATOM   719  C C   . VAL   A 1 99  ? -13.821 -15.464 -20.812 1.000 32.118  0  344 VAL   A C   1 
ATOM   720  O O   . VAL   A 1 99  ? -13.339 -16.598 -20.829 1.000 30.046  0  344 VAL   A O   1 
ATOM   721  C CB  . VAL   A 1 99  ? -14.712 -15.253 -18.481 1.000 34.504  0  344 VAL   A CB  1 
ATOM   722  C CG1 . VAL   A 1 99  ? -13.723 -14.154 -18.101 1.000 32.727  0  344 VAL   A CG1 1 
ATOM   723  C CG2 . VAL   A 1 99  ? -15.950 -15.212 -17.606 1.000 33.619  0  344 VAL   A CG2 1 
ATOM   724  N N   . GLN   A 1 100 ? -13.288 -14.407 -21.450 1.000 32.649  0  345 GLN   A N   1 
ATOM   725  C CA  . GLN   A 1 100 ? -12.142 -14.546 -22.341 1.000 34.801  0  345 GLN   A CA  1 
ATOM   726  C C   . GLN   A 1 100 ? -11.405 -13.218 -22.520 1.000 33.643  0  345 GLN   A C   1 
ATOM   727  O O   . GLN   A 1 100 ? -11.965 -12.134 -22.357 1.000 26.935  0  345 GLN   A O   1 
ATOM   728  C CB  . GLN   A 1 100 ? -12.550 -15.118 -23.704 1.000 38.562  0  345 GLN   A CB  1 
ATOM   729  C CG  . GLN   A 1 100 ? -13.352 -14.187 -24.626 1.000 44.608  0  345 GLN   A CG  1 
ATOM   730  C CD  . GLN   A 1 100 ? -13.888 -14.953 -25.824 1.000 51.780  0  345 GLN   A CD  1 
ATOM   731  O OE1 . GLN   A 1 100 ? -13.193 -15.776 -26.431 1.000 54.126  0  345 GLN   A OE1 1 
ATOM   732  N NE2 . GLN   A 1 100 ? -15.164 -14.760 -26.128 1.000 48.271  0  345 GLN   A NE2 1 
ATOM   733  N N   . ASP   A 1 101 ? -10.118 -13.334 -22.874 1.000 33.874  0  346 ASP   A N   1 
ATOM   734  C CA  . ASP   A 1 101 ? -9.312  -12.169 -23.180 1.000 33.025  0  346 ASP   A CA  1 
ATOM   735  C C   . ASP   A 1 101 ? -9.288  -11.960 -24.692 1.000 34.234  0  346 ASP   A C   1 
ATOM   736  O O   . ASP   A 1 101 ? -9.549  -12.878 -25.474 1.000 35.787  0  346 ASP   A O   1 
ATOM   737  C CB  . ASP   A 1 101 ? -7.888  -12.308 -22.636 1.000 32.023  0  346 ASP   A CB  1 
ATOM   738  C CG  . ASP   A 1 101 ? -7.792  -12.763 -21.187 1.000 30.486  0  346 ASP   A CG  1 
ATOM   739  O OD1 . ASP   A 1 101 ? -8.823  -12.732 -20.486 1.000 27.579  0  346 ASP   A OD1 1 
ATOM   740  O OD2 . ASP   A 1 101 ? -6.679  -13.178 -20.782 1.000 27.339  0  346 ASP   A OD2 1 
ATOM   741  N N   . THR   A 1 102 ? -8.931  -10.729 -25.055 1.000 35.264  0  347 THR   A N   1 
ATOM   742  C CA  . THR   A 1 102 ? -8.537  -10.339 -26.396 1.000 40.566  0  347 THR   A CA  1 
ATOM   743  C C   . THR   A 1 102 ? -7.373  -11.199 -26.918 1.000 40.929  0  347 THR   A C   1 
ATOM   744  O O   . THR   A 1 102 ? -7.526  -11.856 -27.940 1.000 40.310  0  347 THR   A O   1 
ATOM   745  C CB  . THR   A 1 102 ? -8.224  -8.839  -26.355 1.000 45.899  0  347 THR   A CB  1 
ATOM   746  O OG1 . THR   A 1 102 ? -9.466  -8.183  -26.098 1.000 42.688  0  347 THR   A OG1 1 
ATOM   747  C CG2 . THR   A 1 102 ? -7.574  -8.320  -27.615 1.000 50.677  0  347 THR   A CG2 1 
ATOM   748  N N   . HIS   A 1 103 ? -6.204  -11.181 -26.254 1.000 43.108  0  348 HIS   A N   1 
ATOM   749  C CA  . HIS   A 1 103 ? -5.106  -12.087 -26.587 1.000 40.462  0  348 HIS   A CA  1 
ATOM   750  C C   . HIS   A 1 103 ? -5.045  -13.191 -25.533 1.000 35.171  0  348 HIS   A C   1 
ATOM   751  O O   . HIS   A 1 103 ? -5.054  -12.916 -24.339 1.000 32.748  0  348 HIS   A O   1 
ATOM   752  C CB  . HIS   A 1 103 ? -3.779  -11.335 -26.800 1.000 44.666  0  348 HIS   A CB  1 
ATOM   753  C CG  . HIS   A 1 103 ? -2.613  -12.196 -27.257 1.000 59.512  0  348 HIS   A CG  1 
ATOM   754  N ND1 . HIS   A 1 103 ? -2.226  -12.362 -28.576 1.000 66.412  0  348 HIS   A ND1 1 
ATOM   755  C CD2 . HIS   A 1 103 ? -1.742  -12.967 -26.543 1.000 64.164  0  348 HIS   A CD2 1 
ATOM   756  C CE1 . HIS   A 1 103 ? -1.167  -13.178 -28.636 1.000 65.173  0  348 HIS   A CE1 1 
ATOM   757  N NE2 . HIS   A 1 103 ? -0.845  -13.548 -27.412 1.000 59.682  0  348 HIS   A NE2 1 
ATOM   758  N N   . VAL   A 1 104 ? -4.963  -14.448 -25.989 1.000 34.186  0  349 VAL   A N   1 
ATOM   759  C CA  . VAL   A 1 104 ? -5.107  -15.616 -25.127 1.000 33.196  0  349 VAL   A CA  1 
ATOM   760  C C   . VAL   A 1 104 ? -3.734  -16.103 -24.660 1.000 32.563  0  349 VAL   A C   1 
ATOM   761  O O   . VAL   A 1 104 ? -2.829  -16.386 -25.443 1.000 31.430  0  349 VAL   A O   1 
ATOM   762  C CB  . VAL   A 1 104 ? -5.902  -16.733 -25.837 1.000 33.983  0  349 VAL   A CB  1 
ATOM   763  C CG1 . VAL   A 1 104 ? -5.932  -18.017 -25.014 1.000 31.727  0  349 VAL   A CG1 1 
ATOM   764  C CG2 . VAL   A 1 104 ? -7.325  -16.279 -26.184 1.000 32.637  0  349 VAL   A CG2 1 
ATOM   765  N N   . TYR   A 1 105 ? -3.580  -16.171 -23.343 1.000 31.813  0  350 TYR   A N   1 
ATOM   766  C CA  . TYR   A 1 105 ? -2.417  -16.788 -22.736 1.000 27.342  0  350 TYR   A CA  1 
ATOM   767  C C   . TYR   A 1 105 ? -2.899  -18.058 -22.039 1.000 25.691  0  350 TYR   A C   1 
ATOM   768  O O   . TYR   A 1 105 ? -3.917  -18.017 -21.355 1.000 24.191  0  350 TYR   A O   1 
ATOM   769  C CB  . TYR   A 1 105 ? -1.756  -15.789 -21.792 1.000 26.649  0  350 TYR   A CB  1 
ATOM   770  C CG  . TYR   A 1 105 ? -1.100  -14.623 -22.489 1.000 27.030  0  350 TYR   A CG  1 
ATOM   771  C CD1 . TYR   A 1 105 ? 0.189   -14.720 -22.991 1.000 24.880  0  350 TYR   A CD1 1 
ATOM   772  C CD2 . TYR   A 1 105 ? -1.778  -13.423 -22.680 1.000 27.023  0  350 TYR   A CD2 1 
ATOM   773  C CE1 . TYR   A 1 105 ? 0.790   -13.654 -23.651 1.000 25.335  0  350 TYR   A CE1 1 
ATOM   774  C CE2 . TYR   A 1 105 ? -1.180  -12.344 -23.328 1.000 26.359  0  350 TYR   A CE2 1 
ATOM   775  C CZ  . TYR   A 1 105 ? 0.110   -12.457 -23.816 1.000 26.017  0  350 TYR   A CZ  1 
ATOM   776  O OH  . TYR   A 1 105 ? 0.718   -11.384 -24.452 1.000 30.530  0  350 TYR   A OH  1 
ATOM   777  N N   . PRO   A 1 106 ? -2.276  -19.241 -22.291 1.000 24.230  0  351 PRO   A N   1 
ATOM   778  C CA  . PRO   A 1 106 ? -2.607  -20.458 -21.541 1.000 21.992  0  351 PRO   A CA  1 
ATOM   779  C C   . PRO   A 1 106 ? -2.548  -20.306 -20.024 1.000 20.257  0  351 PRO   A C   1 
ATOM   780  O O   . PRO   A 1 106 ? -3.442  -20.747 -19.312 1.000 22.068  0  351 PRO   A O   1 
ATOM   781  C CB  . PRO   A 1 106 ? -1.589  -21.504 -22.019 1.000 20.819  0  351 PRO   A CB  1 
ATOM   782  C CG  . PRO   A 1 106 ? -0.635  -20.779 -22.934 1.000 21.457  0  351 PRO   A CG  1 
ATOM   783  C CD  . PRO   A 1 106 ? -1.294  -19.494 -23.366 1.000 21.697  0  351 PRO   A CD  1 
ATOM   784  N N   . THR   A 1 107 ? -1.465  -19.731 -19.516 1.000 21.851  0  352 THR   A N   1 
ATOM   785  C CA  . THR   A 1 107 ? -1.370  -19.488 -18.081 1.000 22.848  0  352 THR   A CA  1 
ATOM   786  C C   . THR   A 1 107 ? -0.651  -18.159 -17.834 1.000 21.136  0  352 THR   A C   1 
ATOM   787  O O   . THR   A 1 107 ? 0.165   -17.711 -18.641 1.000 21.502  0  352 THR   A O   1 
ATOM   788  C CB  . THR   A 1 107 ? -0.732  -20.674 -17.325 1.000 22.187  0  352 THR   A CB  1 
ATOM   789  O OG1 . THR   A 1 107 ? 0.678   -20.634 -17.507 1.000 21.994  0  352 THR   A OG1 1 
ATOM   790  C CG2 . THR   A 1 107 ? -1.249  -22.030 -17.749 1.000 21.372  0  352 THR   A CG2 1 
ATOM   791  N N   . LEU   A 1 108 ? -1.028  -17.498 -16.740 1.000 19.563  0  353 LEU   A N   1 
ATOM   792  C CA  . LEU   A 1 108 ? -0.325  -16.313 -16.261 1.000 19.982  0  353 LEU   A CA  1 
ATOM   793  C C   . LEU   A 1 108 ? -0.149  -16.429 -14.755 1.000 19.924  0  353 LEU   A C   1 
ATOM   794  O O   . LEU   A 1 108 ? -0.996  -17.012 -14.075 1.000 18.960  0  353 LEU   A O   1 
ATOM   795  C CB  . LEU   A 1 108 ? -1.159  -15.074 -16.570 1.000 18.757  0  353 LEU   A CB  1 
ATOM   796  C CG  . LEU   A 1 108 ? -1.459  -14.825 -18.037 1.000 18.836  0  353 LEU   A CG  1 
ATOM   797  C CD1 . LEU   A 1 108 ? -2.545  -13.757 -18.202 1.000 18.840  0  353 LEU   A CD1 1 
ATOM   798  C CD2 . LEU   A 1 108 ? -0.182  -14.411 -18.747 1.000 19.298  0  353 LEU   A CD2 1 
ATOM   799  N N   . ASP   A 1 109 ? 0.926   -15.846 -14.231 1.000 21.312  0  354 ASP   A N   1 
ATOM   800  C CA  . ASP   A 1 109 ? 0.959   -15.618 -12.792 1.000 22.691  0  354 ASP   A CA  1 
ATOM   801  C C   . ASP   A 1 109 ? 0.317   -14.251 -12.525 1.000 22.616  0  354 ASP   A C   1 
ATOM   802  O O   . ASP   A 1 109 ? -0.174  -13.599 -13.455 1.000 20.497  0  354 ASP   A O   1 
ATOM   803  C CB  . ASP   A 1 109 ? 2.352   -15.864 -12.218 1.000 23.552  0  354 ASP   A CB  1 
ATOM   804  C CG  . ASP   A 1 109 ? 3.380   -14.841 -12.642 1.000 28.145  0  354 ASP   A CG  1 
ATOM   805  O OD1 . ASP   A 1 109 ? 3.024   -13.932 -13.406 1.000 33.723  0  354 ASP   A OD1 1 
ATOM   806  O OD2 . ASP   A 1 109 ? 4.530   -14.951 -12.187 1.000 33.904  0  354 ASP   A OD2 1 
ATOM   807  N N   . VAL   A 1 110 ? 0.274   -13.841 -11.244 1.000 21.113  0  355 VAL   A N   1 
ATOM   808  C CA  . VAL   A 1 110 ? -0.488  -12.670 -10.842 1.000 18.220  0  355 VAL   A CA  1 
ATOM   809  C C   . VAL   A 1 110 ? 0.097   -11.451 -11.563 1.000 18.096  0  355 VAL   A C   1 
ATOM   810  O O   . VAL   A 1 110 ? -0.636  -10.577 -12.024 1.000 16.725  0  355 VAL   A O   1 
ATOM   811  C CB  . VAL   A 1 110 ? -0.487  -12.515 -9.304  1.000 17.635  0  355 VAL   A CB  1 
ATOM   812  C CG1 . VAL   A 1 110 ? -1.069  -11.172 -8.856  1.000 16.732  0  355 VAL   A CG1 1 
ATOM   813  C CG2 . VAL   A 1 110 ? -1.197  -13.671 -8.603  1.000 17.412  0  355 VAL   A CG2 1 
ATOM   814  N N   . ARG   A 1 111 ? 1.434   -11.402 -11.656 1.000 17.456  0  356 ARG   A N   1 
ATOM   815  C CA  . ARG   A 1 111 ? 2.122   -10.313 -12.326 1.000 16.861  0  356 ARG   A CA  1 
ATOM   816  C C   . ARG   A 1 111 ? 1.715   -10.263 -13.811 1.000 16.105  0  356 ARG   A C   1 
ATOM   817  O O   . ARG   A 1 111 ? 1.483   -9.189  -14.358 1.000 15.281  0  356 ARG   A O   1 
ATOM   818  C CB  . ARG   A 1 111 ? 3.623   -10.486 -12.080 1.000 17.953  0  356 ARG   A CB  1 
ATOM   819  C CG  . ARG   A 1 111 ? 4.477   -9.312  -12.548 1.000 20.615  0  356 ARG   A CG  1 
ATOM   820  C CD  . ARG   A 1 111 ? 5.957   -9.674  -12.724 1.000 22.353  0  356 ARG   A CD  1 
ATOM   821  N NE  . ARG   A 1 111 ? 6.736   -8.497  -13.075 1.000 25.518  0  356 ARG   A NE  1 
ATOM   822  C CZ  . ARG   A 1 111 ? 7.207   -8.231  -14.295 1.000 29.734  0  356 ARG   A CZ  1 
ATOM   823  N NH1 . ARG   A 1 111 ? 7.732   -7.042  -14.577 1.000 29.470  0  356 ARG   A NH1 1 
ATOM   824  N NH2 . ARG   A 1 111 ? 7.073   -9.132  -15.256 1.000 30.960  0  356 ARG   A NH2 1 
ATOM   825  N N   . GLY   A 1 112 ? 1.583   -11.428 -14.471 1.000 15.947  0  357 GLY   A N   1 
ATOM   826  C CA  . GLY   A 1 112 ? 1.106   -11.507 -15.847 1.000 16.115  0  357 GLY   A CA  1 
ATOM   827  C C   . GLY   A 1 112 ? -0.330  -11.002 -16.036 1.000 16.775  0  357 GLY   A C   1 
ATOM   828  O O   . GLY   A 1 112 ? -0.643  -10.326 -17.008 1.000 15.900  0  357 GLY   A O   1 
ATOM   829  N N   . ILE   A 1 113 ? -1.217  -11.347 -15.105 1.000 18.332  0  358 ILE   A N   1 
ATOM   830  C CA  . ILE   A 1 113 ? -2.589  -10.861 -15.111 1.000 20.142  0  358 ILE   A CA  1 
ATOM   831  C C   . ILE   A 1 113 ? -2.586  -9.324  -15.076 1.000 21.907  0  358 ILE   A C   1 
ATOM   832  O O   . ILE   A 1 113 ? -3.311  -8.666  -15.831 1.000 22.571  0  358 ILE   A O   1 
ATOM   833  C CB  . ILE   A 1 113 ? -3.368  -11.494 -13.928 1.000 20.083  0  358 ILE   A CB  1 
ATOM   834  C CG1 . ILE   A 1 113 ? -3.239  -13.027 -13.941 1.000 20.041  0  358 ILE   A CG1 1 
ATOM   835  C CG2 . ILE   A 1 113 ? -4.819  -11.040 -13.914 1.000 20.715  0  358 ILE   A CG2 1 
ATOM   836  C CD1 . ILE   A 1 113 ? -4.190  -13.787 -13.040 1.000 19.664  0  358 ILE   A CD1 1 
ATOM   837  N N   . MET   A 1 114 ? -1.786  -8.743  -14.172 1.000 22.845  0  359 MET   A N   1 
ATOM   838  C CA  . MET   A 1 114 ? -1.649  -7.294  -14.090 1.000 23.146  0  359 MET   A CA  1 
ATOM   839  C C   . MET   A 1 114 ? -1.066  -6.757  -15.393 1.000 21.674  0  359 MET   A C   1 
ATOM   840  O O   . MET   A 1 114 ? -1.690  -5.906  -16.025 1.000 20.866  0  359 MET   A O   1 
ATOM   841  C CB  . MET   A 1 114 ? -0.736  -6.867  -12.935 1.000 24.913  0  359 MET   A CB  1 
ATOM   842  C CG  . MET   A 1 114 ? -0.657  -5.351  -12.751 1.000 26.080  0  359 MET   A CG  1 
ATOM   843  S SD  . MET   A 1 114 ? -2.120  -4.683  -11.894 1.000 27.717  0  359 MET   A SD  1 
ATOM   844  C CE  . MET   A 1 114 ? -1.774  -5.158  -10.197 1.000 28.710  0  359 MET   A CE  1 
ATOM   845  N N   . GLN   A 1 115 ? 0.116   -7.291  -15.771 1.000 23.135  0  360 GLN   A N   1 
ATOM   846  C CA  . GLN   A 1 115 ? 0.888   -6.854  -16.928 1.000 22.377  0  360 GLN   A CA  1 
ATOM   847  C C   . GLN   A 1 115 ? 0.059   -6.906  -18.208 1.000 20.874  0  360 GLN   A C   1 
ATOM   848  O O   . GLN   A 1 115 ? 0.009   -5.924  -18.947 1.000 20.502  0  360 GLN   A O   1 
ATOM   849  C CB  . GLN   A 1 115 ? 2.147   -7.714  -17.090 1.000 23.958  0  360 GLN   A CB  1 
ATOM   850  C CG  . GLN   A 1 115 ? 3.095   -7.230  -18.198 1.000 24.232  0  360 GLN   A CG  1 
ATOM   851  C CD  . GLN   A 1 115 ? 4.212   -8.215  -18.430 1.000 24.466  0  360 GLN   A CD  1 
ATOM   852  O OE1 . GLN   A 1 115 ? 3.971   -9.411  -18.459 1.000 24.486  0  360 GLN   A OE1 1 
ATOM   853  N NE2 . GLN   A 1 115 ? 5.442   -7.730  -18.546 1.000 25.101  0  360 GLN   A NE2 1 
ATOM   854  N N   . LYS   A 1 116 ? -0.555  -8.061  -18.471 1.000 22.281  0  361 LYS   A N   1 
ATOM   855  C CA  . LYS   A 1 116 ? -1.291  -8.328  -19.708 1.000 24.868  0  361 LYS   A CA  1 
ATOM   856  C C   . LYS   A 1 116 ? -2.775  -7.987  -19.571 1.000 24.135  0  361 LYS   A C   1 
ATOM   857  O O   . LYS   A 1 116 ? -3.525  -8.135  -20.540 1.000 21.836  0  361 LYS   A O   1 
ATOM   858  C CB  . LYS   A 1 116 ? -1.291  -9.828  -20.054 1.000 26.310  0  361 LYS   A CB  1 
ATOM   859  C CG  . LYS   A 1 116 ? 0.067   -10.514 -20.125 1.000 29.107  0  361 LYS   A CG  1 
ATOM   860  C CD  . LYS   A 1 116 ? 1.069   -9.826  -21.033 1.000 32.322  0  361 LYS   A CD  1 
ATOM   861  C CE  . LYS   A 1 116 ? 2.274   -10.693 -21.352 1.000 32.723  0  361 LYS   A CE  1 
ATOM   862  N NZ  . LYS   A 1 116 ? 3.340   -9.870  -21.979 1.000 34.771  0  361 LYS   A NZ  1 
ATOM   863  N N   . SER   A 1 117 ? -3.213  -7.630  -18.346 1.000 22.244  0  362 SER   A N   1 
ATOM   864  C CA  . SER   A 1 117 ? -4.579  -7.170  -18.143 1.000 20.671  0  362 SER   A CA  1 
ATOM   865  C C   . SER   A 1 117 ? -5.580  -8.252  -18.545 1.000 19.876  0  362 SER   A C   1 
ATOM   866  O O   . SER   A 1 117 ? -6.446  -7.965  -19.355 1.000 22.381  0  362 SER   A O   1 
ATOM   867  C CB  . SER   A 1 117 ? -4.808  -5.908  -18.942 1.000 19.619  0  362 SER   A CB  1 
ATOM   868  O OG  . SER   A 1 117 ? -5.976  -5.247  -18.524 1.000 19.816  0  362 SER   A OG  1 
ATOM   869  N N   . SER   A 1 118 ? -5.474  -9.460  -17.960 1.000 19.991  0  363 SER   A N   1 
ATOM   870  C CA  . SER   A 1 118 ? -6.318  -10.629 -18.233 1.000 19.381  0  363 SER   A CA  1 
ATOM   871  C C   . SER   A 1 118 ? -7.603  -10.673 -17.381 1.000 20.611  0  363 SER   A C   1 
ATOM   872  O O   . SER   A 1 118 ? -7.530  -10.811 -16.139 1.000 19.737  0  363 SER   A O   1 
ATOM   873  C CB  . SER   A 1 118 ? -5.513  -11.904 -18.023 1.000 19.363  0  363 SER   A CB  1 
ATOM   874  O OG  . SER   A 1 118 ? -6.361  -13.043 -17.877 1.000 18.930  0  363 SER   A OG  1 
ATOM   875  N N   . ASN   A 1 119 ? -8.765  -10.621 -18.082 1.000 20.014  0  364 ASN   A N   1 
ATOM   876  C CA  . ASN   A 1 119 ? -10.110 -10.774 -17.529 1.000 19.055  0  364 ASN   A CA  1 
ATOM   877  C C   . ASN   A 1 119 ? -10.257 -12.147 -16.876 1.000 19.674  0  364 ASN   A C   1 
ATOM   878  O O   . ASN   A 1 119 ? -10.775 -12.305 -15.742 1.000 19.254  0  364 ASN   A O   1 
ATOM   879  C CB  . ASN   A 1 119 ? -11.213 -10.597 -18.586 1.000 18.936  0  364 ASN   A CB  1 
ATOM   880  C CG  . ASN   A 1 119 ? -11.429 -9.153  -19.026 1.000 20.740  0  364 ASN   A CG  1 
ATOM   881  O OD1 . ASN   A 1 119 ? -10.704 -8.243  -18.626 1.000 22.766  0  364 ASN   A OD1 1 
ATOM   882  N ND2 . ASN   A 1 119 ? -12.446 -8.895  -19.830 1.000 21.580  0  364 ASN   A ND2 1 
ATOM   883  N N   . VAL   A 1 120 ? -9.787  -13.158 -17.606 1.000 18.876  0  365 VAL   A N   1 
ATOM   884  C CA  . VAL   A 1 120 ? -9.924  -14.517 -17.106 1.000 19.976  0  365 VAL   A CA  1 
ATOM   885  C C   . VAL   A 1 120 ? -9.239  -14.653 -15.747 1.000 20.260  0  365 VAL   A C   1 
ATOM   886  O O   . VAL   A 1 120 ? -9.859  -15.118 -14.776 1.000 19.098  0  365 VAL   A O   1 
ATOM   887  C CB  . VAL   A 1 120 ? -9.422  -15.536 -18.134 1.000 18.969  0  365 VAL   A CB  1 
ATOM   888  C CG1 . VAL   A 1 120 ? -9.335  -16.924 -17.543 1.000 18.700  0  365 VAL   A CG1 1 
ATOM   889  C CG2 . VAL   A 1 120 ? -10.317 -15.532 -19.368 1.000 20.390  0  365 VAL   A CG2 1 
ATOM   890  N N   . GLY   A 1 121 ? -7.967  -14.234 -15.703 1.000 20.369  0  366 GLY   A N   1 
ATOM   891  C CA  . GLY   A 1 121 ? -7.172  -14.346 -14.495 1.000 21.365  0  366 GLY   A CA  1 
ATOM   892  C C   . GLY   A 1 121 ? -7.838  -13.617 -13.338 1.000 21.392  0  366 GLY   A C   1 
ATOM   893  O O   . GLY   A 1 121 ? -8.026  -14.168 -12.269 1.000 19.944  0  366 GLY   A O   1 
ATOM   894  N N   . THR   A 1 122 ? -8.258  -12.386 -13.609 1.000 23.791  0  367 THR   A N   1 
ATOM   895  C CA  . THR   A 1 122 ? -8.858  -11.521 -12.608 1.000 24.112  0  367 THR   A CA  1 
ATOM   896  C C   . THR   A 1 122 ? -10.124 -12.132 -12.010 1.000 23.069  0  367 THR   A C   1 
ATOM   897  O O   . THR   A 1 122 ? -10.407 -11.896 -10.835 1.000 20.664  0  367 THR   A O   1 
ATOM   898  C CB  . THR   A 1 122 ? -9.165  -10.149 -13.227 1.000 25.614  0  367 THR   A CB  1 
ATOM   899  O OG1 . THR   A 1 122 ? -7.920  -9.594  -13.657 1.000 24.188  0  367 THR   A OG1 1 
ATOM   900  C CG2 . THR   A 1 122 ? -9.839  -9.205  -12.251 1.000 28.160  0  367 THR   A CG2 1 
ATOM   901  N N   . SER   A 1 123 ? -10.892 -12.842 -12.857 1.000 24.083  0  368 SER   A N   1 
ATOM   902  C CA  . SER   A 1 123 ? -12.196 -13.388 -12.498 1.000 24.914  0  368 SER   A CA  1 
ATOM   903  C C   . SER   A 1 123 ? -12.030 -14.670 -11.688 1.000 23.780  0  368 SER   A C   1 
ATOM   904  O O   . SER   A 1 123 ? -12.930 -15.033 -10.944 1.000 23.755  0  368 SER   A O   1 
ATOM   905  C CB  . SER   A 1 123 ? -13.056 -13.629 -13.726 1.000 26.232  0  368 SER   A CB  1 
ATOM   906  O OG  . SER   A 1 123 ? -12.616 -14.777 -14.455 1.000 26.697  0  368 SER   A OG  1 
ATOM   907  N N   . LYS   A 1 124 ? -10.895 -15.351 -11.870 1.000 24.220  0  369 LYS   A N   1 
ATOM   908  C CA  . LYS   A 1 124 ? -10.520 -16.515 -11.082 1.000 24.495  0  369 LYS   A CA  1 
ATOM   909  C C   . LYS   A 1 124 ? -10.117 -16.112 -9.675  1.000 24.217  0  369 LYS   A C   1 
ATOM   910  O O   . LYS   A 1 124 ? -10.329 -16.891 -8.733  1.000 24.651  0  369 LYS   A O   1 
ATOM   911  C CB  . LYS   A 1 124 ? -9.248  -17.199 -11.600 1.000 27.815  0  369 LYS   A CB  1 
ATOM   912  C CG  . LYS   A 1 124 ? -9.339  -17.893 -12.957 1.000 30.706  0  369 LYS   A CG  1 
ATOM   913  C CD  . LYS   A 1 124 ? -10.286 -19.052 -12.983 1.000 32.817  0  369 LYS   A CD  1 
ATOM   914  C CE  . LYS   A 1 124 ? -10.566 -19.535 -14.391 1.000 35.507  0  369 LYS   A CE  1 
ATOM   915  N NZ  . LYS   A 1 124 ? -9.419  -20.275 -14.965 1.000 37.529  0  369 LYS   A NZ  1 
ATOM   916  N N   . LEU   A 1 125 ? -9.396  -14.981 -9.586  1.000 21.930  0  370 LEU   A N   1 
ATOM   917  C CA  . LEU   A 1 125 ? -8.997  -14.424 -8.307  1.000 21.932  0  370 LEU   A CA  1 
ATOM   918  C C   . LEU   A 1 125 ? -10.239 -14.044 -7.510  1.000 22.833  0  370 LEU   A C   1 
ATOM   919  O O   . LEU   A 1 125 ? -10.357 -14.371 -6.336  1.000 21.245  0  370 LEU   A O   1 
ATOM   920  C CB  . LEU   A 1 125 ? -8.135  -13.194 -8.561  1.000 23.390  0  370 LEU   A CB  1 
ATOM   921  C CG  . LEU   A 1 125 ? -6.729  -13.472 -9.089  1.000 23.837  0  370 LEU   A CG  1 
ATOM   922  C CD1 . LEU   A 1 125 ? -6.049  -12.164 -9.464  1.000 23.790  0  370 LEU   A CD1 1 
ATOM   923  C CD2 . LEU   A 1 125 ? -5.909  -14.242 -8.064  1.000 22.306  0  370 LEU   A CD2 1 
ATOM   924  N N   . SER   A 1 126 ? -11.183 -13.393 -8.201  1.000 23.305  0  371 SER   A N   1 
ATOM   925  C CA  . SER   A 1 126 ? -12.438 -12.976 -7.611  1.000 22.206  0  371 SER   A CA  1 
ATOM   926  C C   . SER   A 1 126 ? -13.239 -14.201 -7.203  1.000 20.881  0  371 SER   A C   1 
ATOM   927  O O   . SER   A 1 126 ? -13.860 -14.214 -6.150  1.000 20.543  0  371 SER   A O   1 
ATOM   928  C CB  . SER   A 1 126 ? -13.203 -12.115 -8.578  1.000 22.141  0  371 SER   A CB  1 
ATOM   929  O OG  . SER   A 1 126 ? -14.515 -11.836 -8.093  1.000 21.456  0  371 SER   A OG  1 
ATOM   930  N N   . ALA   A 1 127 ? -13.225 -15.212 -8.071  1.000 20.772  0  372 ALA   A N   1 
ATOM   931  C CA  . ALA   A 1 127 ? -14.067 -16.382 -7.916  1.000 20.524  0  372 ALA   A CA  1 
ATOM   932  C C   . ALA   A 1 127 ? -13.750 -17.070 -6.594  1.000 21.948  0  372 ALA   A C   1 
ATOM   933  O O   . ALA   A 1 127 ? -14.547 -17.878 -6.135  1.000 23.846  0  372 ALA   A O   1 
ATOM   934  C CB  . ALA   A 1 127 ? -13.864 -17.336 -9.066  1.000 20.311  0  372 ALA   A CB  1 
ATOM   935  N N   . MET   A 1 128 ? -12.617 -16.721 -5.962  1.000 22.541  0  373 MET   A N   1 
ATOM   936  C CA  . MET   A 1 128 ? -12.216 -17.351 -4.719  1.000 21.355  0  373 MET   A CA  1 
ATOM   937  C C   . MET   A 1 128 ? -12.913 -16.736 -3.518  1.000 20.816  0  373 MET   A C   1 
ATOM   938  O O   . MET   A 1 128 ? -12.633 -17.170 -2.424  1.000 21.853  0  373 MET   A O   1 
ATOM   939  C CB  . MET   A 1 128 ? -10.715 -17.191 -4.515  1.000 24.348  0  373 MET   A CB  1 
ATOM   940  C CG  . MET   A 1 128 ? -9.897  -17.892 -5.576  1.000 25.853  0  373 MET   A CG  1 
ATOM   941  S SD  . MET   A 1 128 ? -8.144  -17.729 -5.233  1.000 28.885  0  373 MET   A SD  1 
ATOM   942  C CE  . MET   A 1 128 ? -8.049  -18.692 -3.717  1.000 33.295  0  373 MET   A CE  1 
ATOM   943  N N   . PHE   A 1 129 ? -13.769 -15.719 -3.707  1.000 21.072  0  374 PHE   A N   1 
ATOM   944  C CA  . PHE   A 1 129 ? -14.442 -15.022 -2.628  1.000 19.270  0  374 PHE   A CA  1 
ATOM   945  C C   . PHE   A 1 129 ? -15.936 -14.963 -2.890  1.000 19.346  0  374 PHE   A C   1 
ATOM   946  O O   . PHE   A 1 129 ? -16.371 -15.072 -4.022  1.000 20.501  0  374 PHE   A O   1 
ATOM   947  C CB  . PHE   A 1 129 ? -13.968 -13.575 -2.540  1.000 20.085  0  374 PHE   A CB  1 
ATOM   948  C CG  . PHE   A 1 129 ? -12.506 -13.468 -2.244  1.000 22.694  0  374 PHE   A CG  1 
ATOM   949  C CD1 . PHE   A 1 129 ? -12.035 -13.693 -0.954  1.000 22.325  0  374 PHE   A CD1 1 
ATOM   950  C CD2 . PHE   A 1 129 ? -11.589 -13.291 -3.278  1.000 22.897  0  374 PHE   A CD2 1 
ATOM   951  C CE1 . PHE   A 1 129 ? -10.679 -13.641 -0.681  1.000 21.345  0  374 PHE   A CE1 1 
ATOM   952  C CE2 . PHE   A 1 129 ? -10.230 -13.292 -3.005  1.000 20.823  0  374 PHE   A CE2 1 
ATOM   953  C CZ  . PHE   A 1 129 ? -9.785  -13.470 -1.715  1.000 21.800  0  374 PHE   A CZ  1 
ATOM   954  N N   . THR   A 1 130 ? -16.686 -14.683 -1.826  1.000 19.104  0  375 THR   A N   1 
ATOM   955  C CA  . THR   A 1 130 ? -18.129 -14.597 -1.852  1.000 20.266  0  375 THR   A CA  1 
ATOM   956  C C   . THR   A 1 130 ? -18.580 -13.315 -2.558  1.000 20.591  0  375 THR   A C   1 
ATOM   957  O O   . THR   A 1 130 ? -17.828 -12.346 -2.689  1.000 19.521  0  375 THR   A O   1 
ATOM   958  C CB  . THR   A 1 130 ? -18.690 -14.728 -0.418  1.000 22.289  0  375 THR   A CB  1 
ATOM   959  O OG1 . THR   A 1 130 ? -18.272 -13.687 0.479   1.000 19.278  0  375 THR   A OG1 1 
ATOM   960  C CG2 . THR   A 1 130 ? -18.303 -16.058 0.209   1.000 21.081  0  375 THR   A CG2 1 
ATOM   961  N N   . PRO   A 1 131 ? -19.833 -13.273 -3.080  1.000 19.475  0  376 PRO   A N   1 
ATOM   962  C CA  . PRO   A 1 131 ? -20.479 -11.999 -3.410  1.000 18.521  0  376 PRO   A CA  1 
ATOM   963  C C   . PRO   A 1 131 ? -20.308 -10.928 -2.329  1.000 15.959  0  376 PRO   A C   1 
ATOM   964  O O   . PRO   A 1 131 ? -19.910 -9.822  -2.630  1.000 15.881  0  376 PRO   A O   1 
ATOM   965  C CB  . PRO   A 1 131 ? -21.954 -12.432 -3.616  1.000 17.863  0  376 PRO   A CB  1 
ATOM   966  C CG  . PRO   A 1 131 ? -21.811 -13.797 -4.221  1.000 17.587  0  376 PRO   A CG  1 
ATOM   967  C CD  . PRO   A 1 131 ? -20.675 -14.425 -3.434  1.000 17.992  0  376 PRO   A CD  1 
ATOM   968  N N   . LYS   A 1 132 ? -20.555 -11.271 -1.070  1.000 15.932  0  377 LYS   A N   1 
ATOM   969  C CA  . LYS   A 1 132 ? -20.521 -10.306 0.013   1.000 16.872  0  377 LYS   A CA  1 
ATOM   970  C C   . LYS   A 1 132 ? -19.112 -9.762  0.261   1.000 17.091  0  377 LYS   A C   1 
ATOM   971  O O   . LYS   A 1 132 ? -18.925 -8.562  0.368   1.000 18.399  0  377 LYS   A O   1 
ATOM   972  C CB  . LYS   A 1 132 ? -21.021 -10.942 1.305   1.000 17.398  0  377 LYS   A CB  1 
ATOM   973  C CG  . LYS   A 1 132 ? -21.211 -9.955  2.437   1.000 17.106  0  377 LYS   A CG  1 
ATOM   974  C CD  . LYS   A 1 132 ? -21.288 -10.589 3.748   1.000 17.441  0  377 LYS   A CD  1 
ATOM   975  C CE  . LYS   A 1 132 ? -21.646 -9.608  4.841   1.000 18.772  0  377 LYS   A CE  1 
ATOM   976  N NZ  . LYS   A 1 132 ? -21.845 -10.355 6.118   1.000 21.150  0  377 LYS   A NZ  1 
ATOM   977  N N   . GLU   A 1 133 ? -18.118 -10.629 0.368   1.000 18.336  0  378 GLU   A N   1 
ATOM   978  C CA  . GLU   A 1 133 ? -16.740 -10.187 0.523   1.000 21.170  0  378 GLU   A CA  1 
ATOM   979  C C   . GLU   A 1 133 ? -16.304 -9.237  -0.603  1.000 21.033  0  378 GLU   A C   1 
ATOM   980  O O   . GLU   A 1 133 ? -15.598 -8.257  -0.316  1.000 20.845  0  378 GLU   A O   1 
ATOM   981  C CB  . GLU   A 1 133 ? -15.799 -11.383 0.594   1.000 23.105  0  378 GLU   A CB  1 
ATOM   982  C CG  . GLU   A 1 133 ? -15.960 -12.207 1.859   1.000 25.536  0  378 GLU   A CG  1 
ATOM   983  C CD  . GLU   A 1 133 ? -15.262 -13.566 1.858   1.000 28.322  0  378 GLU   A CD  1 
ATOM   984  O OE1 . GLU   A 1 133 ? -14.990 -14.130 0.761   1.000 28.706  0  378 GLU   A OE1 1 
ATOM   985  O OE2 . GLU   A 1 133 ? -14.991 -14.070 2.969   1.000 32.593  0  378 GLU   A OE2 1 
ATOM   986  N N   . MET   A 1 134 ? -16.716 -9.483  -1.861  1.000 18.356  0  379 MET   A N   1 
ATOM   987  C CA  . MET   A 1 134 ? -16.337 -8.556  -2.924  1.000 19.812  0  379 MET   A CA  1 
ATOM   988  C C   . MET   A 1 134 ? -17.145 -7.247  -2.889  1.000 20.226  0  379 MET   A C   1 
ATOM   989  O O   . MET   A 1 134 ? -16.611 -6.152  -3.117  1.000 19.885  0  379 MET   A O   1 
ATOM   990  C CB  . MET   A 1 134 ? -16.468 -9.178  -4.315  1.000 19.550  0  379 MET   A CB  1 
ATOM   991  C CG  . MET   A 1 134 ? -15.585 -10.381 -4.524  1.000 19.458  0  379 MET   A CG  1 
ATOM   992  S SD  . MET   A 1 134 ? -13.828 -10.071 -4.320  1.000 20.949  0  379 MET   A SD  1 
ATOM   993  C CE  . MET   A 1 134 ? -13.570 -8.701  -5.450  1.000 22.844  0  379 MET   A CE  1 
ATOM   994  N N   . TYR   A 1 135 ? -18.450 -7.318  -2.630  1.000 20.425  0  380 TYR   A N   1 
ATOM   995  C CA  . TYR   A 1 135 ? -19.186 -6.074  -2.464  1.000 21.446  0  380 TYR   A CA  1 
ATOM   996  C C   . TYR   A 1 135 ? -18.630 -5.236  -1.291  1.000 21.914  0  380 TYR   A C   1 
ATOM   997  O O   . TYR   A 1 135 ? -18.440 -4.028  -1.412  1.000 25.131  0  380 TYR   A O   1 
ATOM   998  C CB  . TYR   A 1 135 ? -20.673 -6.380  -2.331  1.000 20.806  0  380 TYR   A CB  1 
ATOM   999  C CG  . TYR   A 1 135 ? -21.522 -5.188  -1.990  1.000 21.649  0  380 TYR   A CG  1 
ATOM   1000 C CD1 . TYR   A 1 135 ? -21.518 -4.640  -0.709  1.000 22.386  0  380 TYR   A CD1 1 
ATOM   1001 C CD2 . TYR   A 1 135 ? -22.353 -4.623  -2.943  1.000 22.501  0  380 TYR   A CD2 1 
ATOM   1002 C CE1 . TYR   A 1 135 ? -22.306 -3.548  -0.391  1.000 22.442  0  380 TYR   A CE1 1 
ATOM   1003 C CE2 . TYR   A 1 135 ? -23.142 -3.522  -2.642  1.000 23.827  0  380 TYR   A CE2 1 
ATOM   1004 C CZ  . TYR   A 1 135 ? -23.114 -2.985  -1.364  1.000 23.300  0  380 TYR   A CZ  1 
ATOM   1005 O OH  . TYR   A 1 135 ? -23.924 -1.923  -1.080  1.000 24.957  0  380 TYR   A OH  1 
ATOM   1006 N N   . ASP   A 1 136 ? -18.374 -5.843  -0.133  1.000 20.311  0  381 ASP   A N   1 
ATOM   1007 C CA  . ASP   A 1 136 ? -17.843 -5.098  1.002   1.000 21.080  0  381 ASP   A CA  1 
ATOM   1008 C C   . ASP   A 1 136 ? -16.542 -4.382  0.638   1.000 19.918  0  381 ASP   A C   1 
ATOM   1009 O O   . ASP   A 1 136 ? -16.323 -3.273  1.121   1.000 16.898  0  381 ASP   A O   1 
ATOM   1010 C CB  . ASP   A 1 136 ? -17.595 -6.000  2.217   1.000 21.127  0  381 ASP   A CB  1 
ATOM   1011 C CG  . ASP   A 1 136 ? -18.882 -6.343  2.937   1.000 23.774  0  381 ASP   A CG  1 
ATOM   1012 O OD1 . ASP   A 1 136 ? -19.970 -5.769  2.588   1.000 21.881  0  381 ASP   A OD1 1 
ATOM   1013 O OD2 . ASP   A 1 136 ? -18.799 -7.203  3.832   1.000 30.644  0  381 ASP   A OD2 1 
ATOM   1014 N N   . PHE   A 1 137 ? -15.702 -5.062  -0.168  1.000 18.994  0  382 PHE   A N   1 
ATOM   1015 C CA  . PHE   A 1 137 ? -14.418 -4.558  -0.601  1.000 18.481  0  382 PHE   A CA  1 
ATOM   1016 C C   . PHE   A 1 137 ? -14.601 -3.383  -1.533  1.000 20.564  0  382 PHE   A C   1 
ATOM   1017 O O   . PHE   A 1 137 ? -13.993 -2.336  -1.278  1.000 22.003  0  382 PHE   A O   1 
ATOM   1018 C CB  . PHE   A 1 137 ? -13.602 -5.591  -1.384  1.000 18.774  0  382 PHE   A CB  1 
ATOM   1019 C CG  . PHE   A 1 137 ? -12.208 -5.142  -1.758  1.000 16.966  0  382 PHE   A CG  1 
ATOM   1020 C CD1 . PHE   A 1 137 ? -11.299 -4.762  -0.774  1.000 16.693  0  382 PHE   A CD1 1 
ATOM   1021 C CD2 . PHE   A 1 137 ? -11.804 -5.130  -3.082  1.000 16.935  0  382 PHE   A CD2 1 
ATOM   1022 C CE1 . PHE   A 1 137 ? -10.005 -4.385  -1.104  1.000 17.154  0  382 PHE   A CE1 1 
ATOM   1023 C CE2 . PHE   A 1 137 ? -10.516 -4.728  -3.423  1.000 17.851  0  382 PHE   A CE2 1 
ATOM   1024 C CZ  . PHE   A 1 137 ? -9.622  -4.344  -2.438  1.000 17.567  0  382 PHE   A CZ  1 
ATOM   1025 N N   . TYR   A 1 138 ? -15.407 -3.572  -2.603  1.000 19.646  0  383 TYR   A N   1 
ATOM   1026 C CA  . TYR   A 1 138 ? -15.634 -2.474  -3.531  1.000 19.964  0  383 TYR   A CA  1 
ATOM   1027 C C   . TYR   A 1 138 ? -16.170 -1.277  -2.748  1.000 18.726  0  383 TYR   A C   1 
ATOM   1028 O O   . TYR   A 1 138 ? -15.760 -0.151  -3.039  1.000 16.372  0  383 TYR   A O   1 
ATOM   1029 C CB  . TYR   A 1 138 ? -16.540 -2.860  -4.713  1.000 21.887  0  383 TYR   A CB  1 
ATOM   1030 C CG  . TYR   A 1 138 ? -16.004 -3.956  -5.607  1.000 24.454  0  383 TYR   A CG  1 
ATOM   1031 C CD1 . TYR   A 1 138 ? -14.677 -3.975  -6.024  1.000 25.180  0  383 TYR   A CD1 1 
ATOM   1032 C CD2 . TYR   A 1 138 ? -16.824 -4.994  -6.029  1.000 24.899  0  383 TYR   A CD2 1 
ATOM   1033 C CE1 . TYR   A 1 138 ? -14.189 -4.992  -6.836  1.000 27.116  0  383 TYR   A CE1 1 
ATOM   1034 C CE2 . TYR   A 1 138 ? -16.356 -6.002  -6.862  1.000 24.876  0  383 TYR   A CE2 1 
ATOM   1035 C CZ  . TYR   A 1 138 ? -15.026 -6.022  -7.246  1.000 25.938  0  383 TYR   A CZ  1 
ATOM   1036 O OH  . TYR   A 1 138 ? -14.563 -7.045  -8.062  1.000 25.049  0  383 TYR   A OH  1 
ATOM   1037 N N   . HIS   A 1 139 ? -17.074 -1.550  -1.776  1.000 18.375  0  384 HIS   A N   1 
ATOM   1038 C CA  . HIS   A 1 139 ? -17.706 -0.535  -0.936  1.000 19.000  0  384 HIS   A CA  1 
ATOM   1039 C C   . HIS   A 1 139 ? -16.667 0.251   -0.123  1.000 18.958  0  384 HIS   A C   1 
ATOM   1040 O O   . HIS   A 1 139 ? -16.776 1.468   0.010   1.000 17.983  0  384 HIS   A O   1 
ATOM   1041 C CB  . HIS   A 1 139 ? -18.821 -1.150  -0.064  1.000 19.402  0  384 HIS   A CB  1 
ATOM   1042 C CG  . HIS   A 1 139 ? -19.395 -0.208  0.964   1.000 19.797  0  384 HIS   A CG  1 
ATOM   1043 N ND1 . HIS   A 1 139 ? -20.451 0.639   0.703   1.000 18.620  0  384 HIS   A ND1 1 
ATOM   1044 C CD2 . HIS   A 1 139 ? -18.970 0.098   2.216   1.000 19.522  0  384 HIS   A CD2 1 
ATOM   1045 C CE1 . HIS   A 1 139 ? -20.677 1.392   1.765   1.000 18.114  0  384 HIS   A CE1 1 
ATOM   1046 N NE2 . HIS   A 1 139 ? -19.809 1.060   2.700   1.000 19.641  0  384 HIS   A NE2 1 
ATOM   1047 N N   . ASP   A 1 140 ? -15.635 -0.433  0.376   1.000 19.404  0  385 ASP   A N   1 
ATOM   1048 C CA  . ASP   A 1 140 ? -14.603 0.181   1.198   1.000 20.385  0  385 ASP   A CA  1 
ATOM   1049 C C   . ASP   A 1 140 ? -13.609 1.015   0.384   1.000 19.727  0  385 ASP   A C   1 
ATOM   1050 O O   . ASP   A 1 140 ? -12.878 1.777   0.985   1.000 18.707  0  385 ASP   A O   1 
ATOM   1051 C CB  . ASP   A 1 140 ? -13.853 -0.884  1.997   1.000 23.262  0  385 ASP   A CB  1 
ATOM   1052 C CG  . ASP   A 1 140 ? -14.717 -1.559  3.054   1.000 27.253  0  385 ASP   A CG  1 
ATOM   1053 O OD1 . ASP   A 1 140 ? -15.749 -0.941  3.406   1.000 33.333  0  385 ASP   A OD1 1 
ATOM   1054 O OD2 . ASP   A 1 140 ? -14.399 -2.731  3.453   1.000 24.585  0  385 ASP   A OD2 1 
ATOM   1055 N N   . LEU   A 1 141 ? -13.542 0.828   -0.946  1.000 19.070  0  386 LEU   A N   1 
ATOM   1056 C CA  . LEU   A 1 141 ? -12.782 1.669   -1.859  1.000 19.148  0  386 LEU   A CA  1 
ATOM   1057 C C   . LEU   A 1 141 ? -13.568 2.935   -2.210  1.000 21.678  0  386 LEU   A C   1 
ATOM   1058 O O   . LEU   A 1 141 ? -13.013 3.863   -2.842  1.000 20.269  0  386 LEU   A O   1 
ATOM   1059 C CB  . LEU   A 1 141 ? -12.538 0.907   -3.168  1.000 19.482  0  386 LEU   A CB  1 
ATOM   1060 C CG  . LEU   A 1 141 ? -11.754 -0.390  -3.032  1.000 18.663  0  386 LEU   A CG  1 
ATOM   1061 C CD1 . LEU   A 1 141 ? -11.730 -1.132  -4.342  1.000 18.110  0  386 LEU   A CD1 1 
ATOM   1062 C CD2 . LEU   A 1 141 ? -10.337 -0.106  -2.551  1.000 19.359  0  386 LEU   A CD2 1 
ATOM   1063 N N   . GLY   A 1 142 ? -14.887 2.901   -1.919  1.000 20.934  0  387 GLY   A N   1 
ATOM   1064 C CA  . GLY   A 1 142 ? -15.743 4.064   -2.121  1.000 21.024  0  387 GLY   A CA  1 
ATOM   1065 C C   . GLY   A 1 142 ? -16.730 3.938   -3.282  1.000 20.573  0  387 GLY   A C   1 
ATOM   1066 O O   . GLY   A 1 142 ? -17.483 4.861   -3.557  1.000 22.208  0  387 GLY   A O   1 
ATOM   1067 N N   . VAL   A 1 143 ? -16.778 2.787   -3.950  1.000 21.736  0  388 VAL   A N   1 
ATOM   1068 C CA  . VAL   A 1 143 ? -17.742 2.603   -5.020  1.000 20.574  0  388 VAL   A CA  1 
ATOM   1069 C C   . VAL   A 1 143 ? -19.136 2.652   -4.400  1.000 20.926  0  388 VAL   A C   1 
ATOM   1070 O O   . VAL   A 1 143 ? -19.425 1.896   -3.471  1.000 21.995  0  388 VAL   A O   1 
ATOM   1071 C CB  . VAL   A 1 143 ? -17.511 1.293   -5.804  1.000 18.884  0  388 VAL   A CB  1 
ATOM   1072 C CG1 . VAL   A 1 143 ? -18.392 1.226   -7.050  1.000 18.548  0  388 VAL   A CG1 1 
ATOM   1073 C CG2 . VAL   A 1 143 ? -16.051 1.096   -6.158  1.000 17.808  0  388 VAL   A CG2 1 
ATOM   1074 N N   . GLY   A 1 144 ? -19.974 3.562   -4.925  1.000 22.179  0  389 GLY   A N   1 
ATOM   1075 C CA  . GLY   A 1 144 ? -21.376 3.638   -4.557  1.000 21.486  0  389 GLY   A CA  1 
ATOM   1076 C C   . GLY   A 1 144 ? -21.586 4.540   -3.341  1.000 23.263  0  389 GLY   A C   1 
ATOM   1077 O O   . GLY   A 1 144 ? -22.724 4.703   -2.898  1.000 20.659  0  389 GLY   A O   1 
ATOM   1078 N N   . VAL   A 1 145 ? -20.479 5.149   -2.863  1.000 23.191  0  390 VAL   A N   1 
ATOM   1079 C CA  . VAL   A 1 145 ? -20.446 5.952   -1.646  1.000 23.490  0  390 VAL   A CA  1 
ATOM   1080 C C   . VAL   A 1 145 ? -20.153 7.407   -2.016  1.000 24.039  0  390 VAL   A C   1 
ATOM   1081 O O   . VAL   A 1 145 ? -19.316 7.683   -2.881  1.000 24.138  0  390 VAL   A O   1 
ATOM   1082 C CB  . VAL   A 1 145 ? -19.378 5.426   -0.657  1.000 22.469  0  390 VAL   A CB  1 
ATOM   1083 C CG1 . VAL   A 1 145 ? -19.412 6.154   0.690   1.000 21.475  0  390 VAL   A CG1 1 
ATOM   1084 C CG2 . VAL   A 1 145 ? -19.479 3.919   -0.461  1.000 21.612  0  390 VAL   A CG2 1 
ATOM   1085 N N   . ARG   A 1 146 ? -20.809 8.339   -1.316  1.000 25.516  0  391 ARG   A N   1 
ATOM   1086 C CA  . ARG   A 1 146 ? -20.550 9.760   -1.526  1.000 29.369  0  391 ARG   A CA  1 
ATOM   1087 C C   . ARG   A 1 146 ? -19.232 10.174  -0.852  1.000 27.963  0  391 ARG   A C   1 
ATOM   1088 O O   . ARG   A 1 146 ? -18.972 9.806   0.295   1.000 27.065  0  391 ARG   A O   1 
ATOM   1089 C CB  . ARG   A 1 146 ? -21.715 10.614  -1.000  1.000 32.199  0  391 ARG   A CB  1 
ATOM   1090 C CG  . ARG   A 1 146 ? -23.037 10.405  -1.723  1.000 31.518  0  391 ARG   A CG  1 
ATOM   1091 C CD  . ARG   A 1 146 ? -23.999 11.566  -1.548  1.000 32.779  0  391 ARG   A CD  1 
ATOM   1092 N NE  . ARG   A 1 146 ? -25.286 11.290  -2.190  1.000 32.980  0  391 ARG   A NE  1 
ATOM   1093 C CZ  . ARG   A 1 146 ? -25.531 11.309  -3.508  1.000 38.333  0  391 ARG   A CZ  1 
ATOM   1094 N NH1 . ARG   A 1 146 ? -24.576 11.571  -4.399  1.000 35.813  0  391 ARG   A NH1 1 
ATOM   1095 N NH2 . ARG   A 1 146 ? -26.771 11.080  -3.925  1.000 40.977  0  391 ARG   A NH2 1 
ATOM   1096 N N   . MET   A 1 147 ? -18.427 10.953  -1.589  1.000 25.211  0  392 MET   A N   1 
ATOM   1097 C CA  . MET   A 1 147 ? -17.127 11.453  -1.162  1.000 25.346  0  392 MET   A CA  1 
ATOM   1098 C C   . MET   A 1 147 ? -17.283 12.661  -0.237  1.000 25.266  0  392 MET   A C   1 
ATOM   1099 O O   . MET   A 1 147 ? -16.412 12.912  0.585   1.000 21.421  0  392 MET   A O   1 
ATOM   1100 C CB  . MET   A 1 147 ? -16.266 11.898  -2.361  1.000 25.238  0  392 MET   A CB  1 
ATOM   1101 C CG  . MET   A 1 147 ? -15.474 10.763  -2.971  1.000 26.629  0  392 MET   A CG  1 
ATOM   1102 S SD  . MET   A 1 147 ? -14.535 11.178  -4.468  1.000 27.917  0  392 MET   A SD  1 
ATOM   1103 C CE  . MET   A 1 147 ? -15.833 11.717  -5.584  1.000 32.171  0  392 MET   A CE  1 
ATOM   1104 N N   . HIS   A 1 148 ? -18.363 13.439  -0.416  1.000 27.728  0  393 HIS   A N   1 
ATOM   1105 C CA  . HIS   A 1 148 ? -18.585 14.662  0.350   1.000 29.542  0  393 HIS   A CA  1 
ATOM   1106 C C   . HIS   A 1 148 ? -17.447 15.660  0.073   1.000 33.080  0  393 HIS   A C   1 
ATOM   1107 O O   . HIS   A 1 148 ? -16.952 16.322  0.996   1.000 28.227  0  393 HIS   A O   1 
ATOM   1108 C CB  . HIS   A 1 148 ? -18.812 14.351  1.839   1.000 30.244  0  393 HIS   A CB  1 
ATOM   1109 C CG  . HIS   A 1 148 ? -19.848 13.293  2.099   1.000 31.189  0  393 HIS   A CG  1 
ATOM   1110 N ND1 . HIS   A 1 148 ? -21.215 13.486  1.961   1.000 32.380  0  393 HIS   A ND1 1 
ATOM   1111 C CD2 . HIS   A 1 148 ? -19.672 12.009  2.495   1.000 28.485  0  393 HIS   A CD2 1 
ATOM   1112 C CE1 . HIS   A 1 148 ? -21.843 12.349  2.257   1.000 32.841  0  393 HIS   A CE1 1 
ATOM   1113 N NE2 . HIS   A 1 148 ? -20.919 11.433  2.555   1.000 32.969  0  393 HIS   A NE2 1 
ATOM   1114 N N   . SER   A 1 149 ? -17.040 15.759  -1.211  1.000 30.560  0  394 SER   A N   1 
ATOM   1115 C CA  . SER   A 1 149 ? -15.959 16.642  -1.618  1.000 31.893  0  394 SER   A CA  1 
ATOM   1116 C C   . SER   A 1 149 ? -16.439 18.092  -1.601  1.000 37.861  0  394 SER   A C   1 
ATOM   1117 O O   . SER   A 1 149 ? -15.624 19.014  -1.617  1.000 40.469  0  394 SER   A O   1 
ATOM   1118 C CB  . SER   A 1 149 ? -15.428 16.272  -2.991  1.000 33.175  0  394 SER   A CB  1 
ATOM   1119 O OG  . SER   A 1 149 ? -16.393 16.440  -4.047  1.000 31.407  0  394 SER   A OG  1 
ATOM   1120 N N   . GLY   A 1 150 ? -17.768 18.279  -1.640  1.000 36.345  0  395 GLY   A N   1 
ATOM   1121 C CA  . GLY   A 1 150 ? -18.339 19.606  -1.726  1.000 35.373  0  395 GLY   A CA  1 
ATOM   1122 C C   . GLY   A 1 150 ? -18.554 20.071  -3.162  1.000 35.686  0  395 GLY   A C   1 
ATOM   1123 O O   . GLY   A 1 150 ? -19.123 21.139  -3.359  1.000 37.905  0  395 GLY   A O   1 
ATOM   1124 N N   . PHE   A 1 151 ? -18.126 19.304  -4.172  1.000 33.306  0  396 PHE   A N   1 
ATOM   1125 C CA  . PHE   A 1 151 ? -18.469 19.689  -5.537  1.000 36.772  0  396 PHE   A CA  1 
ATOM   1126 C C   . PHE   A 1 151 ? -19.980 19.551  -5.765  1.000 38.896  0  396 PHE   A C   1 
ATOM   1127 O O   . PHE   A 1 151 ? -20.613 18.570  -5.357  1.000 36.322  0  396 PHE   A O   1 
ATOM   1128 C CB  . PHE   A 1 151 ? -17.735 18.855  -6.589  1.000 36.096  0  396 PHE   A CB  1 
ATOM   1129 C CG  . PHE   A 1 151 ? -16.297 19.241  -6.783  1.000 34.897  0  396 PHE   A CG  1 
ATOM   1130 C CD1 . PHE   A 1 151 ? -15.965 20.401  -7.462  1.000 36.889  0  396 PHE   A CD1 1 
ATOM   1131 C CD2 . PHE   A 1 151 ? -15.280 18.464  -6.259  1.000 34.858  0  396 PHE   A CD2 1 
ATOM   1132 C CE1 . PHE   A 1 151 ? -14.639 20.767  -7.627  1.000 36.921  0  396 PHE   A CE1 1 
ATOM   1133 C CE2 . PHE   A 1 151 ? -13.952 18.824  -6.431  1.000 35.745  0  396 PHE   A CE2 1 
ATOM   1134 C CZ  . PHE   A 1 151 ? -13.634 19.971  -7.119  1.000 36.319  0  396 PHE   A CZ  1 
ATOM   1135 N N   . PRO   A 1 152 ? -20.616 20.538  -6.433  1.000 39.570  0  397 PRO   A N   1 
ATOM   1136 C CA  . PRO   A 1 152 ? -22.018 20.389  -6.842  1.000 38.254  0  397 PRO   A CA  1 
ATOM   1137 C C   . PRO   A 1 152 ? -22.214 19.283  -7.889  1.000 33.791  0  397 PRO   A C   1 
ATOM   1138 O O   . PRO   A 1 152 ? -21.468 19.222  -8.860  1.000 37.658  0  397 PRO   A O   1 
ATOM   1139 C CB  . PRO   A 1 152 ? -22.405 21.773  -7.404  1.000 37.866  0  397 PRO   A CB  1 
ATOM   1140 C CG  . PRO   A 1 152 ? -21.090 22.541  -7.627  1.000 35.822  0  397 PRO   A CG  1 
ATOM   1141 C CD  . PRO   A 1 152 ? -20.015 21.826  -6.827  1.000 37.047  0  397 PRO   A CD  1 
ATOM   1142 N N   . GLY   A 1 153 ? -23.234 18.427  -7.692  1.000 32.223  0  398 GLY   A N   1 
ATOM   1143 C CA  . GLY   A 1 153 ? -23.599 17.366  -8.628  1.000 30.243  0  398 GLY   A CA  1 
ATOM   1144 C C   . GLY   A 1 153 ? -22.806 16.065  -8.450  1.000 30.612  0  398 GLY   A C   1 
ATOM   1145 O O   . GLY   A 1 153 ? -22.838 15.188  -9.316  1.000 36.401  0  398 GLY   A O   1 
ATOM   1146 N N   . GLU   A 1 154 ? -22.112 15.917  -7.319  1.000 28.499  0  399 GLU   A N   1 
ATOM   1147 C CA  . GLU   A 1 154 ? -21.211 14.801  -7.097  1.000 28.368  0  399 GLU   A CA  1 
ATOM   1148 C C   . GLU   A 1 154 ? -22.003 13.493  -7.118  1.000 25.754  0  399 GLU   A C   1 
ATOM   1149 O O   . GLU   A 1 154 ? -22.865 13.251  -6.270  1.000 25.728  0  399 GLU   A O   1 
ATOM   1150 C CB  . GLU   A 1 154 ? -20.413 15.031  -5.806  1.000 30.891  0  399 GLU   A CB  1 
ATOM   1151 C CG  . GLU   A 1 154 ? -19.828 13.769  -5.191  1.000 33.845  0  399 GLU   A CG  1 
ATOM   1152 C CD  . GLU   A 1 154 ? -19.159 13.978  -3.846  1.000 33.416  0  399 GLU   A CD  1 
ATOM   1153 O OE1 . GLU   A 1 154 ? -19.787 13.617  -2.796  1.000 36.146  0  399 GLU   A OE1 1 
ATOM   1154 O OE2 . GLU   A 1 154 ? -18.016 14.477  -3.852  1.000 33.316  0  399 GLU   A OE2 1 
ATOM   1155 N N   . THR   A 1 155 ? -21.676 12.639  -8.099  1.000 23.595  0  400 THR   A N   1 
ATOM   1156 C CA  . THR   A 1 155 ? -22.272 11.316  -8.182  1.000 21.461  0  400 THR   A CA  1 
ATOM   1157 C C   . THR   A 1 155 ? -21.573 10.421  -7.162  1.000 20.726  0  400 THR   A C   1 
ATOM   1158 O O   . THR   A 1 155 ? -20.423 10.663  -6.812  1.000 22.091  0  400 THR   A O   1 
ATOM   1159 C CB  . THR   A 1 155 ? -22.259 10.813  -9.635  1.000 21.521  0  400 THR   A CB  1 
ATOM   1160 O OG1 . THR   A 1 155 ? -22.919 9.554   -9.576  1.000 21.887  0  400 THR   A OG1 1 
ATOM   1161 C CG2 . THR   A 1 155 ? -20.891 10.620  -10.264 1.000 21.311  0  400 THR   A CG2 1 
ATOM   1162 N N   . ALA   A 1 156 ? -22.294 9.420   -6.649  1.000 21.140  0  401 ALA   A N   1 
ATOM   1163 C CA  . ALA   A 1 156 ? -21.763 8.408   -5.737  1.000 19.676  0  401 ALA   A CA  1 
ATOM   1164 C C   . ALA   A 1 156 ? -21.424 7.137   -6.507  1.000 20.918  0  401 ALA   A C   1 
ATOM   1165 O O   . ALA   A 1 156 ? -20.850 6.205   -5.940  1.000 20.402  0  401 ALA   A O   1 
ATOM   1166 C CB  . ALA   A 1 156 ? -22.789 8.077   -4.677  1.000 18.661  0  401 ALA   A CB  1 
ATOM   1167 N N   . GLY   A 1 157 ? -21.834 7.107   -7.787  1.000 23.021  0  402 GLY   A N   1 
ATOM   1168 C CA  . GLY   A 1 157 ? -21.717 5.946   -8.650  1.000 24.658  0  402 GLY   A CA  1 
ATOM   1169 C C   . GLY   A 1 157 ? -22.703 4.854   -8.253  1.000 25.601  0  402 GLY   A C   1 
ATOM   1170 O O   . GLY   A 1 157 ? -23.709 5.108   -7.596  1.000 24.598  0  402 GLY   A O   1 
ATOM   1171 N N   . LEU   A 1 158 ? -22.353 3.618   -8.613  1.000 28.970  0  403 LEU   A N   1 
ATOM   1172 C CA  . LEU   A 1 158 ? -23.306 2.520   -8.684  1.000 28.246  0  403 LEU   A CA  1 
ATOM   1173 C C   . LEU   A 1 158 ? -22.651 1.231   -8.190  1.000 23.600  0  403 LEU   A C   1 
ATOM   1174 O O   . LEU   A 1 158 ? -21.684 0.746   -8.766  1.000 20.771  0  403 LEU   A O   1 
ATOM   1175 C CB  . LEU   A 1 158 ? -23.777 2.411   -10.141 1.000 28.900  0  403 LEU   A CB  1 
ATOM   1176 C CG  . LEU   A 1 158 ? -24.849 1.361   -10.429 1.000 32.027  0  403 LEU   A CG  1 
ATOM   1177 C CD1 . LEU   A 1 158 ? -26.171 1.732   -9.778  1.000 29.904  0  403 LEU   A CD1 1 
ATOM   1178 C CD2 . LEU   A 1 158 ? -25.016 1.159   -11.940 1.000 32.904  0  403 LEU   A CD2 1 
ATOM   1179 N N   . LEU   A 1 159 ? -23.180 0.699   -7.090  1.000 22.673  0  404 LEU   A N   1 
ATOM   1180 C CA  . LEU   A 1 159 ? -22.773 -0.606  -6.600  1.000 22.128  0  404 LEU   A CA  1 
ATOM   1181 C C   . LEU   A 1 159 ? -24.036 -1.378  -6.214  1.000 22.172  0  404 LEU   A C   1 
ATOM   1182 O O   . LEU   A 1 159 ? -24.496 -1.230  -5.096  1.000 26.526  0  404 LEU   A O   1 
ATOM   1183 C CB  . LEU   A 1 159 ? -21.765 -0.450  -5.442  1.000 19.121  0  404 LEU   A CB  1 
ATOM   1184 C CG  . LEU   A 1 159 ? -21.103 -1.753  -4.991  1.000 18.287  0  404 LEU   A CG  1 
ATOM   1185 C CD1 . LEU   A 1 159 ? -20.230 -2.327  -6.104  1.000 17.704  0  404 LEU   A CD1 1 
ATOM   1186 C CD2 . LEU   A 1 159 ? -20.291 -1.587  -3.711  1.000 17.957  0  404 LEU   A CD2 1 
ATOM   1187 N N   . ARG   A 1 160 ? -24.565 -2.187  -7.157  1.000 24.082  0  405 ARG   A N   1 
ATOM   1188 C CA  . ARG   A 1 160 ? -25.665 -3.115  -6.933  1.000 26.078  0  405 ARG   A CA  1 
ATOM   1189 C C   . ARG   A 1 160 ? -25.329 -4.065  -5.785  1.000 25.273  0  405 ARG   A C   1 
ATOM   1190 O O   . ARG   A 1 160 ? -24.206 -4.541  -5.657  1.000 26.394  0  405 ARG   A O   1 
ATOM   1191 C CB  . ARG   A 1 160 ? -25.974 -3.965  -8.169  1.000 29.653  0  405 ARG   A CB  1 
ATOM   1192 C CG  . ARG   A 1 160 ? -26.513 -3.185  -9.359  1.000 39.487  0  405 ARG   A CG  1 
ATOM   1193 C CD  . ARG   A 1 160 ? -26.667 -4.025  -10.621 1.000 44.736  0  405 ARG   A CD  1 
ATOM   1194 N NE  . ARG   A 1 160 ? -27.575 -5.156  -10.458 1.000 49.526  0  405 ARG   A NE  1 
ATOM   1195 C CZ  . ARG   A 1 160 ? -27.213 -6.443  -10.497 1.000 58.391  0  405 ARG   A CZ  1 
ATOM   1196 N NH1 . ARG   A 1 160 ? -28.120 -7.396  -10.368 1.000 54.569  0  405 ARG   A NH1 1 
ATOM   1197 N NH2 . ARG   A 1 160 ? -25.943 -6.786  -10.654 1.000 63.258  0  405 ARG   A NH2 1 
ATOM   1198 N N   . SER   A 1 161 ? -26.344 -4.349  -4.970  1.000 23.368  0  406 SER   A N   1 
ATOM   1199 C CA  . SER   A 1 161 ? -26.217 -5.198  -3.807  1.000 23.471  0  406 SER   A CA  1 
ATOM   1200 C C   . SER   A 1 161 ? -25.814 -6.622  -4.203  1.000 23.558  0  406 SER   A C   1 
ATOM   1201 O O   . SER   A 1 161 ? -26.324 -7.181  -5.164  1.000 26.601  0  406 SER   A O   1 
ATOM   1202 C CB  . SER   A 1 161 ? -27.509 -5.174  -3.041  1.000 23.019  0  406 SER   A CB  1 
ATOM   1203 O OG  . SER   A 1 161 ? -27.563 -6.292  -2.170  1.000 27.546  0  406 SER   A OG  1 
ATOM   1204 N N   . TRP   A 1 162 ? -24.924 -7.225  -3.419  1.000 23.466  0  407 TRP   A N   1 
ATOM   1205 C CA  . TRP   A 1 162 ? -24.437 -8.569  -3.676  1.000 23.576  0  407 TRP   A CA  1 
ATOM   1206 C C   . TRP   A 1 162 ? -25.579 -9.575  -3.616  1.000 25.886  0  407 TRP   A C   1 
ATOM   1207 O O   . TRP   A 1 162 ? -25.514 -10.612 -4.279  1.000 23.392  0  407 TRP   A O   1 
ATOM   1208 C CB  . TRP   A 1 162 ? -23.337 -8.932  -2.683  1.000 21.395  0  407 TRP   A CB  1 
ATOM   1209 C CG  . TRP   A 1 162 ? -23.763 -8.856  -1.247  1.000 22.637  0  407 TRP   A CG  1 
ATOM   1210 C CD1 . TRP   A 1 162 ? -23.571 -7.807  -0.402  1.000 22.694  0  407 TRP   A CD1 1 
ATOM   1211 C CD2 . TRP   A 1 162 ? -24.368 -9.889  -0.446  1.000 24.081  0  407 TRP   A CD2 1 
ATOM   1212 N NE1 . TRP   A 1 162 ? -24.048 -8.096  0.846   1.000 23.518  0  407 TRP   A NE1 1 
ATOM   1213 C CE2 . TRP   A 1 162 ? -24.529 -9.367  0.860   1.000 24.281  0  407 TRP   A CE2 1 
ATOM   1214 C CE3 . TRP   A 1 162 ? -24.824 -11.187 -0.710  1.000 24.847  0  407 TRP   A CE3 1 
ATOM   1215 C CZ2 . TRP   A 1 162 ? -25.124 -10.081 1.900   1.000 25.471  0  407 TRP   A CZ2 1 
ATOM   1216 C CZ3 . TRP   A 1 162 ? -25.385 -11.912 0.322   1.000 25.752  0  407 TRP   A CZ3 1 
ATOM   1217 C CH2 . TRP   A 1 162 ? -25.537 -11.363 1.609   1.000 26.987  0  407 TRP   A CH2 1 
ATOM   1218 N N   . ARG   A 1 163 ? -26.617 -9.218  -2.837  1.000 29.423  0  408 ARG   A N   1 
ATOM   1219 C CA  . ARG   A 1 163 ? -27.756 -10.084 -2.583  1.000 29.895  0  408 ARG   A CA  1 
ATOM   1220 C C   . ARG   A 1 163 ? -28.453 -10.495 -3.875  1.000 33.373  0  408 ARG   A C   1 
ATOM   1221 O O   . ARG   A 1 163 ? -29.267 -11.413 -3.826  1.000 39.215  0  408 ARG   A O   1 
ATOM   1222 C CB  . ARG   A 1 163 ? -28.752 -9.405  -1.641  1.000 27.976  0  408 ARG   A CB  1 
ATOM   1223 C CG  . ARG   A 1 163 ? -28.298 -9.433  -0.192  1.000 31.126  0  408 ARG   A CG  1 
ATOM   1224 C CD  . ARG   A 1 163 ? -29.334 -8.921  0.801   1.000 35.501  0  408 ARG   A CD  1 
ATOM   1225 N NE  . ARG   A 1 163 ? -28.776 -7.999  1.810   1.000 37.137  0  408 ARG   A NE  1 
ATOM   1226 C CZ  . ARG   A 1 163 ? -27.992 -8.325  2.844   1.000 43.133  0  408 ARG   A CZ  1 
ATOM   1227 N NH1 . ARG   A 1 163 ? -27.462 -7.360  3.566   1.000 50.062  0  408 ARG   A NH1 1 
ATOM   1228 N NH2 . ARG   A 1 163 ? -27.704 -9.582  3.162   1.000 46.768  0  408 ARG   A NH2 1 
ATOM   1229 N N   . ARG   A 1 164 ? -28.156 -9.833  -5.005  1.000 33.212  0  409 ARG   A N   1 
ATOM   1230 C CA  . ARG   A 1 164 ? -28.831 -10.132 -6.255  1.000 37.820  0  409 ARG   A CA  1 
ATOM   1231 C C   . ARG   A 1 164 ? -27.838 -10.253 -7.400  1.000 33.811  0  409 ARG   A C   1 
ATOM   1232 O O   . ARG   A 1 164 ? -28.149 -9.835  -8.498  1.000 35.963  0  409 ARG   A O   1 
ATOM   1233 C CB  . ARG   A 1 164 ? -29.844 -9.039  -6.605  1.000 47.725  0  409 ARG   A CB  1 
ATOM   1234 C CG  . ARG   A 1 164 ? -31.005 -8.940  -5.622  1.000 58.679  0  409 ARG   A CG  1 
ATOM   1235 C CD  . ARG   A 1 164 ? -32.141 -8.052  -6.108  1.000 66.541  0  409 ARG   A CD  1 
ATOM   1236 N NE  . ARG   A 1 164 ? -31.680 -6.755  -6.600  1.000 70.917  0  409 ARG   A NE  1 
ATOM   1237 C CZ  . ARG   A 1 164 ? -32.484 -5.771  -6.995  1.000 78.931  0  409 ARG   A CZ  1 
ATOM   1238 N NH1 . ARG   A 1 164 ? -31.999 -4.728  -7.648  1.000 64.153  0  409 ARG   A NH1 1 
ATOM   1239 N NH2 . ARG   A 1 164 ? -33.786 -5.871  -6.788  1.000 86.699  0  409 ARG   A NH2 1 
ATOM   1240 N N   . TRP   A 1 165 ? -26.658 -10.821 -7.137  1.000 32.481  0  410 TRP   A N   1 
ATOM   1241 C CA  . TRP   A 1 165 ? -25.657 -11.051 -8.169  1.000 31.701  0  410 TRP   A CA  1 
ATOM   1242 C C   . TRP   A 1 165 ? -25.719 -12.483 -8.691  1.000 34.630  0  410 TRP   A C   1 
ATOM   1243 O O   . TRP   A 1 165 ? -25.580 -13.426 -7.892  1.000 32.053  0  410 TRP   A O   1 
ATOM   1244 C CB  . TRP   A 1 165 ? -24.239 -10.824 -7.633  1.000 28.350  0  410 TRP   A CB  1 
ATOM   1245 C CG  . TRP   A 1 165 ? -23.843 -9.425  -7.294  1.000 25.358  0  410 TRP   A CG  1 
ATOM   1246 C CD1 . TRP   A 1 165 ? -24.592 -8.282  -7.333  1.000 22.841  0  410 TRP   A CD1 1 
ATOM   1247 C CD2 . TRP   A 1 165 ? -22.530 -9.045  -6.861  1.000 23.458  0  410 TRP   A CD2 1 
ATOM   1248 N NE1 . TRP   A 1 165 ? -23.834 -7.215  -6.937  1.000 21.280  0  410 TRP   A NE1 1 
ATOM   1249 C CE2 . TRP   A 1 165 ? -22.563 -7.658  -6.645  1.000 22.852  0  410 TRP   A CE2 1 
ATOM   1250 C CE3 . TRP   A 1 165 ? -21.350 -9.754  -6.612  1.000 24.798  0  410 TRP   A CE3 1 
ATOM   1251 C CZ2 . TRP   A 1 165 ? -21.437 -6.976  -6.185  1.000 23.374  0  410 TRP   A CZ2 1 
ATOM   1252 C CZ3 . TRP   A 1 165 ? -20.227 -9.074  -6.197  1.000 24.295  0  410 TRP   A CZ3 1 
ATOM   1253 C CH2 . TRP   A 1 165 ? -20.280 -7.699  -5.987  1.000 24.802  0  410 TRP   A CH2 1 
ATOM   1254 N N   . GLN   A 1 166 ? -25.795 -12.629 -10.029 1.000 35.605  0  411 GLN   A N   1 
ATOM   1255 C CA  . GLN   A 1 166 ? -25.461 -13.899 -10.660 1.000 35.500  0  411 GLN   A CA  1 
ATOM   1256 C C   . GLN   A 1 166 ? -23.951 -14.092 -10.510 1.000 36.702  0  411 GLN   A C   1 
ATOM   1257 O O   . GLN   A 1 166 ? -23.208 -13.149 -10.220 1.000 33.386  0  411 GLN   A O   1 
ATOM   1258 C CB  . GLN   A 1 166 ? -25.849 -13.955 -12.144 1.000 39.422  0  411 GLN   A CB  1 
ATOM   1259 C CG  . GLN   A 1 166 ? -27.262 -13.477 -12.473 1.000 43.854  0  411 GLN   A CG  1 
ATOM   1260 C CD  . GLN   A 1 166 ? -28.316 -13.948 -11.492 1.000 48.508  0  411 GLN   A CD  1 
ATOM   1261 O OE1 . GLN   A 1 166 ? -29.168 -13.171 -11.059 1.000 49.589  0  411 GLN   A OE1 1 
ATOM   1262 N NE2 . GLN   A 1 166 ? -28.286 -15.229 -11.142 1.000 45.938  0  411 GLN   A NE2 1 
ATOM   1263 N N   . LYS   A 1 167 ? -23.499 -15.323 -10.737 1.000 37.158  0  412 LYS   A N   1 
ATOM   1264 C CA  . LYS   A 1 167 ? -22.076 -15.610 -10.732 1.000 38.200  0  412 LYS   A CA  1 
ATOM   1265 C C   . LYS   A 1 167 ? -21.352 -14.855 -11.851 1.000 36.917  0  412 LYS   A C   1 
ATOM   1266 O O   . LYS   A 1 167 ? -20.172 -14.515 -11.681 1.000 35.436  0  412 LYS   A O   1 
ATOM   1267 C CB  . LYS   A 1 167 ? -21.829 -17.115 -10.865 1.000 41.268  0  412 LYS   A CB  1 
ATOM   1268 C CG  . LYS   A 1 167 ? -22.045 -17.932 -9.606  1.000 47.453  0  412 LYS   A CG  1 
ATOM   1269 C CD  . LYS   A 1 167 ? -21.137 -19.157 -9.549  1.000 52.998  0  412 LYS   A CD  1 
ATOM   1270 C CE  . LYS   A 1 167 ? -21.321 -19.963 -8.281  1.000 54.693  0  412 LYS   A CE  1 
ATOM   1271 N NZ  . LYS   A 1 167 ? -20.314 -21.040 -8.211  1.000 55.720  0  412 LYS   A NZ  1 
ATOM   1272 N N   . ILE   A 1 168 ? -22.036 -14.619 -12.995 1.000 31.841  0  413 ILE   A N   1 
ATOM   1273 C CA  . ILE   A 1 168 ? -21.407 -13.941 -14.127 1.000 28.087  0  413 ILE   A CA  1 
ATOM   1274 C C   . ILE   A 1 168 ? -21.151 -12.486 -13.740 1.000 26.276  0  413 ILE   A C   1 
ATOM   1275 O O   . ILE   A 1 168 ? -20.267 -11.839 -14.299 1.000 27.314  0  413 ILE   A O   1 
ATOM   1276 C CB  . ILE   A 1 168 ? -22.228 -14.048 -15.435 1.000 24.737  0  413 ILE   A CB  1 
ATOM   1277 C CG1 . ILE   A 1 168 ? -21.547 -13.359 -16.620 1.000 23.514  0  413 ILE   A CG1 1 
ATOM   1278 C CG2 . ILE   A 1 168 ? -23.628 -13.479 -15.248 1.000 25.671  0  413 ILE   A CG2 1 
ATOM   1279 C CD1 . ILE   A 1 168 ? -20.112 -13.751 -16.882 1.000 23.389  0  413 ILE   A CD1 1 
ATOM   1280 N N   . GLU   A 1 169 ? -21.962 -11.965 -12.819 1.000 25.699  0  414 GLU   A N   1 
ATOM   1281 C CA  . GLU   A 1 169 ? -21.892 -10.558 -12.468 1.000 27.965  0  414 GLU   A CA  1 
ATOM   1282 C C   . GLU   A 1 169 ? -20.738 -10.331 -11.494 1.000 26.530  0  414 GLU   A C   1 
ATOM   1283 O O   . GLU   A 1 169 ? -20.068 -9.299  -11.564 1.000 25.623  0  414 GLU   A O   1 
ATOM   1284 C CB  . GLU   A 1 169 ? -23.255 -10.101 -11.947 1.000 31.196  0  414 GLU   A CB  1 
ATOM   1285 C CG  . GLU   A 1 169 ? -24.265 -9.956  -13.074 1.000 33.159  0  414 GLU   A CG  1 
ATOM   1286 C CD  . GLU   A 1 169 ? -25.697 -9.731  -12.627 1.000 41.332  0  414 GLU   A CD  1 
ATOM   1287 O OE1 . GLU   A 1 169 ? -26.604 -9.841  -13.491 1.000 46.243  0  414 GLU   A OE1 1 
ATOM   1288 O OE2 . GLU   A 1 169 ? -25.910 -9.437  -11.416 1.000 47.413  0  414 GLU   A OE2 1 
ATOM   1289 N N   . GLN   A 1 170 ? -20.489 -11.300 -10.606 1.000 25.490  0  415 GLN   A N   1 
ATOM   1290 C CA  . GLN   A 1 170 ? -19.321 -11.233 -9.754  1.000 25.472  0  415 GLN   A CA  1 
ATOM   1291 C C   . GLN   A 1 170 ? -18.099 -11.124 -10.662 1.000 24.373  0  415 GLN   A C   1 
ATOM   1292 O O   . GLN   A 1 170 ? -17.191 -10.328 -10.391 1.000 24.622  0  415 GLN   A O   1 
ATOM   1293 C CB  . GLN   A 1 170 ? -19.186 -12.427 -8.796  1.000 26.555  0  415 GLN   A CB  1 
ATOM   1294 C CG  . GLN   A 1 170 ? -18.037 -12.210 -7.810  1.000 28.599  0  415 GLN   A CG  1 
ATOM   1295 C CD  . GLN   A 1 170 ? -17.858 -13.283 -6.773  1.000 29.495  0  415 GLN   A CD  1 
ATOM   1296 O OE1 . GLN   A 1 170 ? -18.830 -13.773 -6.206  1.000 37.261  0  415 GLN   A OE1 1 
ATOM   1297 N NE2 . GLN   A 1 170 ? -16.611 -13.648 -6.506  1.000 27.083  0  415 GLN   A NE2 1 
ATOM   1298 N N   . ALA   A 1 171 ? -18.100 -11.915 -11.747 1.000 21.193  0  416 ALA   A N   1 
ATOM   1299 C CA  . ALA   A 1 171 ? -16.941 -11.988 -12.616 1.000 21.303  0  416 ALA   A CA  1 
ATOM   1300 C C   . ALA   A 1 171 ? -16.745 -10.665 -13.355 1.000 20.871  0  416 ALA   A C   1 
ATOM   1301 O O   . ALA   A 1 171 ? -15.691 -10.033 -13.226 1.000 21.227  0  416 ALA   A O   1 
ATOM   1302 C CB  . ALA   A 1 171 ? -17.073 -13.139 -13.576 1.000 22.310  0  416 ALA   A CB  1 
ATOM   1303 N N   . THR   A 1 172 ? -17.770 -10.237 -14.103 1.000 20.413  0  417 THR   A N   1 
ATOM   1304 C CA  . THR   A 1 172 ? -17.657 -9.033  -14.910 1.000 21.800  0  417 THR   A CA  1 
ATOM   1305 C C   . THR   A 1 172 ? -17.388 -7.822  -14.016 1.000 20.576  0  417 THR   A C   1 
ATOM   1306 O O   . THR   A 1 172 ? -16.723 -6.889  -14.442 1.000 21.095  0  417 THR   A O   1 
ATOM   1307 C CB  . THR   A 1 172 ? -18.852 -8.857  -15.865 1.000 22.297  0  417 THR   A CB  1 
ATOM   1308 O OG1 . THR   A 1 172 ? -20.028 -8.811  -15.080 1.000 22.834  0  417 THR   A OG1 1 
ATOM   1309 C CG2 . THR   A 1 172 ? -18.991 -9.968  -16.889 1.000 23.318  0  417 THR   A CG2 1 
ATOM   1310 N N   . MET   A 1 173 ? -17.835 -7.847  -12.759 1.000 20.810  0  418 MET   A N   1 
ATOM   1311 C CA  . MET   A 1 173 ? -17.522 -6.750  -11.851 1.000 22.020  0  418 MET   A CA  1 
ATOM   1312 C C   . MET   A 1 173 ? -16.058 -6.762  -11.439 1.000 20.442  0  418 MET   A C   1 
ATOM   1313 O O   . MET   A 1 173 ? -15.495 -5.704  -11.231 1.000 20.176  0  418 MET   A O   1 
ATOM   1314 C CB  . MET   A 1 173 ? -18.414 -6.770  -10.610 1.000 23.417  0  418 MET   A CB  1 
ATOM   1315 C CG  . MET   A 1 173 ? -19.797 -6.250  -10.947 1.000 24.817  0  418 MET   A CG  1 
ATOM   1316 S SD  . MET   A 1 173 ? -21.053 -6.511  -9.677  1.000 25.481  0  418 MET   A SD  1 
ATOM   1317 C CE  . MET   A 1 173 ? -20.665 -5.024  -8.770  1.000 26.032  0  418 MET   A CE  1 
ATOM   1318 N N   . SER   A 1 174 ? -15.430 -7.931  -11.379 1.000 21.997  0  419 SER   A N   1 
ATOM   1319 C CA  . SER   A 1 174 ? -14.059 -8.000  -10.896 1.000 24.635  0  419 SER   A CA  1 
ATOM   1320 C C   . SER   A 1 174 ? -13.115 -7.363  -11.910 1.000 23.794  0  419 SER   A C   1 
ATOM   1321 O O   . SER   A 1 174 ? -12.022 -6.947  -11.534 1.000 22.203  0  419 SER   A O   1 
ATOM   1322 C CB  . SER   A 1 174 ? -13.637 -9.409  -10.578 1.000 24.310  0  419 SER   A CB  1 
ATOM   1323 O OG  . SER   A 1 174 ? -13.320 -10.109 -11.774 1.000 23.700  0  419 SER   A OG  1 
ATOM   1324 N N   . PHE   A 1 175 ? -13.551 -7.302  -13.173 1.000 23.236  0  420 PHE   A N   1 
ATOM   1325 C CA  . PHE   A 1 175 ? -12.752 -6.689  -14.224 1.000 24.556  0  420 PHE   A CA  1 
ATOM   1326 C C   . PHE   A 1 175 ? -13.488 -5.486  -14.813 1.000 25.003  0  420 PHE   A C   1 
ATOM   1327 O O   . PHE   A 1 175 ? -13.214 -5.074  -15.951 1.000 24.973  0  420 PHE   A O   1 
ATOM   1328 C CB  . PHE   A 1 175 ? -12.309 -7.721  -15.277 1.000 24.969  0  420 PHE   A CB  1 
ATOM   1329 C CG  . PHE   A 1 175 ? -13.356 -8.544  -16.001 1.000 26.143  0  420 PHE   A CG  1 
ATOM   1330 C CD1 . PHE   A 1 175 ? -14.162 -7.980  -16.993 1.000 26.997  0  420 PHE   A CD1 1 
ATOM   1331 C CD2 . PHE   A 1 175 ? -13.449 -9.924  -15.797 1.000 25.988  0  420 PHE   A CD2 1 
ATOM   1332 C CE1 . PHE   A 1 175 ? -15.084 -8.759  -17.694 1.000 26.299  0  420 PHE   A CE1 1 
ATOM   1333 C CE2 . PHE   A 1 175 ? -14.380 -10.693 -16.493 1.000 26.624  0  420 PHE   A CE2 1 
ATOM   1334 C CZ  . PHE   A 1 175 ? -15.209 -10.109 -17.434 1.000 23.824  0  420 PHE   A CZ  1 
ATOM   1335 N N   . GLY   A 1 176 ? -14.426 -4.942  -14.018 1.000 24.541  0  421 GLY   A N   1 
ATOM   1336 C CA  . GLY   A 1 176 ? -14.760 -3.522  -14.046 1.000 22.862  0  421 GLY   A CA  1 
ATOM   1337 C C   . GLY   A 1 176 ? -16.071 -3.139  -14.746 1.000 21.170  0  421 GLY   A C   1 
ATOM   1338 O O   . GLY   A 1 176 ? -16.267 -1.947  -14.984 1.000 18.765  0  421 GLY   A O   1 
ATOM   1339 N N   . TYR   A 1 177 ? -16.975 -4.101  -15.006 1.000 19.552  0  422 TYR   A N   1 
ATOM   1340 C CA  . TYR   A 1 177 ? -18.260 -3.812  -15.627 1.000 20.176  0  422 TYR   A CA  1 
ATOM   1341 C C   . TYR   A 1 177 ? -19.375 -4.139  -14.633 1.000 21.013  0  422 TYR   A C   1 
ATOM   1342 O O   . TYR   A 1 177 ? -19.256 -5.081  -13.875 1.000 22.093  0  422 TYR   A O   1 
ATOM   1343 C CB  . TYR   A 1 177 ? -18.387 -4.552  -16.964 1.000 20.449  0  422 TYR   A CB  1 
ATOM   1344 C CG  . TYR   A 1 177 ? -17.229 -4.261  -17.863 1.000 20.497  0  422 TYR   A CG  1 
ATOM   1345 C CD1 . TYR   A 1 177 ? -17.128 -3.033  -18.481 1.000 22.084  0  422 TYR   A CD1 1 
ATOM   1346 C CD2 . TYR   A 1 177 ? -16.187 -5.153  -17.997 1.000 22.088  0  422 TYR   A CD2 1 
ATOM   1347 C CE1 . TYR   A 1 177 ? -16.016 -2.687  -19.230 1.000 23.095  0  422 TYR   A CE1 1 
ATOM   1348 C CE2 . TYR   A 1 177 ? -15.066 -4.830  -18.746 1.000 23.544  0  422 TYR   A CE2 1 
ATOM   1349 C CZ  . TYR   A 1 177 ? -14.984 -3.595  -19.364 1.000 23.022  0  422 TYR   A CZ  1 
ATOM   1350 O OH  . TYR   A 1 177 ? -13.885 -3.237  -20.094 1.000 26.081  0  422 TYR   A OH  1 
ATOM   1351 N N   . GLY   A 1 178 ? -20.462 -3.356  -14.630 1.000 22.055  0  423 GLY   A N   1 
ATOM   1352 C CA  . GLY   A 1 178 ? -21.604 -3.623  -13.773 1.000 22.006  0  423 GLY   A CA  1 
ATOM   1353 C C   . GLY   A 1 178 ? -21.712 -2.637  -12.617 1.000 23.677  0  423 GLY   A C   1 
ATOM   1354 O O   . GLY   A 1 178 ? -22.782 -2.482  -12.019 1.000 27.959  0  423 GLY   A O   1 
ATOM   1355 N N   . LEU   A 1 179 ? -20.567 -2.019  -12.310 1.000 22.589  0  424 LEU   A N   1 
ATOM   1356 C CA  . LEU   A 1 179 ? -20.429 -0.997  -11.289 1.000 20.709  0  424 LEU   A CA  1 
ATOM   1357 C C   . LEU   A 1 179 ? -19.822 0.238   -11.947 1.000 20.841  0  424 LEU   A C   1 
ATOM   1358 O O   . LEU   A 1 179 ? -19.208 0.136   -13.014 1.000 19.319  0  424 LEU   A O   1 
ATOM   1359 C CB  . LEU   A 1 179 ? -19.590 -1.511  -10.107 1.000 20.127  0  424 LEU   A CB  1 
ATOM   1360 C CG  . LEU   A 1 179 ? -18.053 -1.599  -10.205 1.000 20.675  0  424 LEU   A CG  1 
ATOM   1361 C CD1 . LEU   A 1 179 ? -17.526 -2.391  -9.009  1.000 21.091  0  424 LEU   A CD1 1 
ATOM   1362 C CD2 . LEU   A 1 179 ? -17.535 -2.263  -11.485 1.000 20.666  0  424 LEU   A CD2 1 
ATOM   1363 N N   . GLN   A 1 180 ? -20.046 1.398   -11.309 1.000 21.401  0  425 GLN   A N   1 
ATOM   1364 C CA  . GLN   A 1 180 ? -19.724 2.685   -11.906 1.000 21.352  0  425 GLN   A CA  1 
ATOM   1365 C C   . GLN   A 1 180 ? -19.177 3.624   -10.847 1.000 18.755  0  425 GLN   A C   1 
ATOM   1366 O O   . GLN   A 1 180 ? -19.596 3.586   -9.700  1.000 18.282  0  425 GLN   A O   1 
ATOM   1367 C CB  . GLN   A 1 180 ? -20.947 3.261   -12.632 1.000 21.814  0  425 GLN   A CB  1 
ATOM   1368 C CG  . GLN   A 1 180 ? -21.361 2.459   -13.862 1.000 22.745  0  425 GLN   A CG  1 
ATOM   1369 C CD  . GLN   A 1 180 ? -22.635 2.995   -14.478 1.000 24.730  0  425 GLN   A CD  1 
ATOM   1370 O OE1 . GLN   A 1 180 ? -22.703 4.147   -14.903 1.000 30.402  0  425 GLN   A OE1 1 
ATOM   1371 N NE2 . GLN   A 1 180 ? -23.663 2.169   -14.534 1.000 22.607  0  425 GLN   A NE2 1 
ATOM   1372 N N   . LEU   A 1 181 ? -18.221 4.455   -11.264 1.000 21.372  0  426 LEU   A N   1 
ATOM   1373 C CA  . LEU   A 1 181 ? -17.749 5.576   -10.455 1.000 22.870  0  426 LEU   A CA  1 
ATOM   1374 C C   . LEU   A 1 181 ? -17.223 6.703   -11.342 1.000 21.222  0  426 LEU   A C   1 
ATOM   1375 O O   . LEU   A 1 181 ? -17.087 6.531   -12.549 1.000 19.185  0  426 LEU   A O   1 
ATOM   1376 C CB  . LEU   A 1 181 ? -16.696 5.122   -9.438  1.000 24.568  0  426 LEU   A CB  1 
ATOM   1377 C CG  . LEU   A 1 181 ? -15.430 4.414   -9.915  1.000 25.621  0  426 LEU   A CG  1 
ATOM   1378 C CD1 . LEU   A 1 181 ? -14.582 3.987   -8.718  1.000 26.508  0  426 LEU   A CD1 1 
ATOM   1379 C CD2 . LEU   A 1 181 ? -15.725 3.176   -10.725 1.000 28.198  0  426 LEU   A CD2 1 
ATOM   1380 N N   . SER   A 1 182 ? -17.035 7.878   -10.712 1.000 20.009  0  427 SER   A N   1 
ATOM   1381 C CA  . SER   A 1 182 ? -16.465 9.055   -11.341 1.000 16.976  0  427 SER   A CA  1 
ATOM   1382 C C   . SER   A 1 182 ? -14.965 8.851   -11.443 1.000 16.692  0  427 SER   A C   1 
ATOM   1383 O O   . SER   A 1 182 ? -14.379 8.071   -10.691 1.000 15.971  0  427 SER   A O   1 
ATOM   1384 C CB  . SER   A 1 182 ? -16.768 10.319  -10.562 1.000 17.280  0  427 SER   A CB  1 
ATOM   1385 O OG  . SER   A 1 182 ? -16.230 10.322  -9.243  1.000 16.233  0  427 SER   A OG  1 
ATOM   1386 N N   . LEU   A 1 183 ? -14.345 9.594   -12.349 1.000 17.066  0  428 LEU   A N   1 
ATOM   1387 C CA  . LEU   A 1 183 ? -12.903 9.534   -12.418 1.000 17.833  0  428 LEU   A CA  1 
ATOM   1388 C C   . LEU   A 1 183 ? -12.268 9.931   -11.076 1.000 16.787  0  428 LEU   A C   1 
ATOM   1389 O O   . LEU   A 1 183 ? -11.216 9.404   -10.741 1.000 15.510  0  428 LEU   A O   1 
ATOM   1390 C CB  . LEU   A 1 183 ? -12.420 10.416  -13.571 1.000 18.278  0  428 LEU   A CB  1 
ATOM   1391 C CG  . LEU   A 1 183 ? -10.927 10.259  -13.829 1.000 19.226  0  428 LEU   A CG  1 
ATOM   1392 C CD1 . LEU   A 1 183 ? -10.620 8.830   -14.239 1.000 21.252  0  428 LEU   A CD1 1 
ATOM   1393 C CD2 . LEU   A 1 183 ? -10.442 11.221  -14.872 1.000 20.360  0  428 LEU   A CD2 1 
ATOM   1394 N N   . LEU   A 1 184 ? -12.904 10.838  -10.310 1.000 16.451  0  429 LEU   A N   1 
ATOM   1395 C CA  . LEU   A 1 184 ? -12.359 11.297  -9.035  1.000 17.197  0  429 LEU   A CA  1 
ATOM   1396 C C   . LEU   A 1 184 ? -12.485 10.211  -7.947  1.000 17.117  0  429 LEU   A C   1 
ATOM   1397 O O   . LEU   A 1 184 ? -11.546 10.039  -7.148  1.000 14.962  0  429 LEU   A O   1 
ATOM   1398 C CB  . LEU   A 1 184 ? -13.045 12.611  -8.630  1.000 17.255  0  429 LEU   A CB  1 
ATOM   1399 C CG  . LEU   A 1 184 ? -12.619 13.207  -7.285  1.000 17.704  0  429 LEU   A CG  1 
ATOM   1400 C CD1 . LEU   A 1 184 ? -11.160 13.667  -7.298  1.000 17.887  0  429 LEU   A CD1 1 
ATOM   1401 C CD2 . LEU   A 1 184 ? -13.500 14.389  -6.896  1.000 18.745  0  429 LEU   A CD2 1 
ATOM   1402 N N   . GLN   A 1 185 ? -13.626 9.485   -7.920  1.000 15.776  0  430 GLN   A N   1 
ATOM   1403 C CA  . GLN   A 1 185 ? -13.761 8.326   -7.040  1.000 16.434  0  430 GLN   A CA  1 
ATOM   1404 C C   . GLN   A 1 185 ? -12.678 7.291   -7.369  1.000 15.645  0  430 GLN   A C   1 
ATOM   1405 O O   . GLN   A 1 185 ? -12.152 6.633   -6.474  1.000 14.416  0  430 GLN   A O   1 
ATOM   1406 C CB  . GLN   A 1 185 ? -15.114 7.611   -7.179  1.000 16.505  0  430 GLN   A CB  1 
ATOM   1407 C CG  . GLN   A 1 185 ? -16.287 8.290   -6.494  1.000 17.569  0  430 GLN   A CG  1 
ATOM   1408 C CD  . GLN   A 1 185 ? -17.620 7.620   -6.767  1.000 18.615  0  430 GLN   A CD  1 
ATOM   1409 O OE1 . GLN   A 1 185 ? -18.156 7.663   -7.898  1.000 17.106  0  430 GLN   A OE1 1 
ATOM   1410 N NE2 . GLN   A 1 185 ? -18.165 7.017   -5.708  1.000 15.781  0  430 GLN   A NE2 1 
ATOM   1411 N N   . LEU   A 1 186 ? -12.414 7.101   -8.671  1.000 14.515  0  431 LEU   A N   1 
ATOM   1412 C CA  . LEU   A 1 186 ? -11.435 6.128   -9.114  1.000 14.538  0  431 LEU   A CA  1 
ATOM   1413 C C   . LEU   A 1 186 ? -10.031 6.548   -8.675  1.000 15.093  0  431 LEU   A C   1 
ATOM   1414 O O   . LEU   A 1 186 ? -9.290  5.745   -8.132  1.000 13.652  0  431 LEU   A O   1 
ATOM   1415 C CB  . LEU   A 1 186 ? -11.502 5.979   -10.633 1.000 13.925  0  431 LEU   A CB  1 
ATOM   1416 C CG  . LEU   A 1 186 ? -10.584 4.894   -11.209 1.000 14.282  0  431 LEU   A CG  1 
ATOM   1417 C CD1 . LEU   A 1 186 ? -10.907 3.547   -10.598 1.000 13.284  0  431 LEU   A CD1 1 
ATOM   1418 C CD2 . LEU   A 1 186 ? -10.688 4.822   -12.740 1.000 15.179  0  431 LEU   A CD2 1 
ATOM   1419 N N   . ALA   A 1 187 ? -9.679  7.819   -8.879  1.000 16.589  0  432 ALA   A N   1 
ATOM   1420 C CA  . ALA   A 1 187 ? -8.382  8.309   -8.421  1.000 17.857  0  432 ALA   A CA  1 
ATOM   1421 C C   . ALA   A 1 187 ? -8.281  8.183   -6.893  1.000 17.569  0  432 ALA   A C   1 
ATOM   1422 O O   . ALA   A 1 187 ? -7.275  7.716   -6.373  1.000 17.120  0  432 ALA   A O   1 
ATOM   1423 C CB  . ALA   A 1 187 ? -8.167  9.727   -8.897  1.000 17.617  0  432 ALA   A CB  1 
ATOM   1424 N N   . ARG   A 1 188 ? -9.344  8.580   -6.187  1.000 17.433  0  433 ARG   A N   1 
ATOM   1425 C CA  . ARG   A 1 188 ? -9.417  8.457   -4.745  1.000 17.843  0  433 ARG   A CA  1 
ATOM   1426 C C   . ARG   A 1 188 ? -9.159  7.020   -4.309  1.000 16.926  0  433 ARG   A C   1 
ATOM   1427 O O   . ARG   A 1 188 ? -8.320  6.764   -3.429  1.000 14.715  0  433 ARG   A O   1 
ATOM   1428 C CB  . ARG   A 1 188 ? -10.794 8.883   -4.252  1.000 19.896  0  433 ARG   A CB  1 
ATOM   1429 C CG  . ARG   A 1 188 ? -11.097 8.349   -2.869  1.000 21.666  0  433 ARG   A CG  1 
ATOM   1430 C CD  . ARG   A 1 188 ? -12.375 8.928   -2.329  1.000 23.352  0  433 ARG   A CD  1 
ATOM   1431 N NE  . ARG   A 1 188 ? -12.332 8.742   -0.896  1.000 24.406  0  433 ARG   A NE  1 
ATOM   1432 C CZ  . ARG   A 1 188 ? -13.285 8.183   -0.175  1.000 23.925  0  433 ARG   A CZ  1 
ATOM   1433 N NH1 . ARG   A 1 188 ? -14.368 7.723   -0.766  1.000 22.295  0  433 ARG   A NH1 1 
ATOM   1434 N NH2 . ARG   A 1 188 ? -13.138 8.101   1.139   1.000 24.155  0  433 ARG   A NH2 1 
ATOM   1435 N N   . ALA   A 1 189 ? -9.853  6.087   -4.972  1.000 15.755  0  434 ALA   A N   1 
ATOM   1436 C CA  . ALA   A 1 189 ? -9.663  4.671   -4.697  1.000 15.525  0  434 ALA   A CA  1 
ATOM   1437 C C   . ALA   A 1 189 ? -8.172  4.254   -4.717  1.000 16.157  0  434 ALA   A C   1 
ATOM   1438 O O   . ALA   A 1 189 ? -7.721  3.472   -3.860  1.000 13.550  0  434 ALA   A O   1 
ATOM   1439 C CB  . ALA   A 1 189 ? -10.471 3.884   -5.685  1.000 15.163  0  434 ALA   A CB  1 
ATOM   1440 N N   . TYR   A 1 190 ? -7.408  4.752   -5.712  1.000 16.465  0  435 TYR   A N   1 
ATOM   1441 C CA  . TYR   A 1 190 ? -5.979  4.479   -5.813  1.000 17.226  0  435 TYR   A CA  1 
ATOM   1442 C C   . TYR   A 1 190 ? -5.173  4.996   -4.608  1.000 16.426  0  435 TYR   A C   1 
ATOM   1443 O O   . TYR   A 1 190 ? -4.003  4.631   -4.454  1.000 14.724  0  435 TYR   A O   1 
ATOM   1444 C CB  . TYR   A 1 190 ? -5.445  4.987   -7.152  1.000 18.404  0  435 TYR   A CB  1 
ATOM   1445 C CG  . TYR   A 1 190 ? -5.614  3.985   -8.266  1.000 20.689  0  435 TYR   A CG  1 
ATOM   1446 C CD1 . TYR   A 1 190 ? -6.819  3.812   -8.929  1.000 21.497  0  435 TYR   A CD1 1 
ATOM   1447 C CD2 . TYR   A 1 190 ? -4.584  3.124   -8.603  1.000 24.160  0  435 TYR   A CD2 1 
ATOM   1448 C CE1 . TYR   A 1 190 ? -6.982  2.844   -9.915  1.000 21.537  0  435 TYR   A CE1 1 
ATOM   1449 C CE2 . TYR   A 1 190 ? -4.720  2.168   -9.603  1.000 24.138  0  435 TYR   A CE2 1 
ATOM   1450 C CZ  . TYR   A 1 190 ? -5.926  2.019   -10.266 1.000 23.480  0  435 TYR   A CZ  1 
ATOM   1451 O OH  . TYR   A 1 190 ? -6.033  1.057   -11.258 1.000 23.409  0  435 TYR   A OH  1 
ATOM   1452 N N   . THR   A 1 191 ? -5.787  5.766   -3.691  1.000 16.667  0  436 THR   A N   1 
ATOM   1453 C CA  . THR   A 1 191 ? -5.064  6.188   -2.486  1.000 17.361  0  436 THR   A CA  1 
ATOM   1454 C C   . THR   A 1 191 ? -4.808  5.000   -1.567  1.000 16.455  0  436 THR   A C   1 
ATOM   1455 O O   . THR   A 1 191 ? -3.895  5.017   -0.749  1.000 17.437  0  436 THR   A O   1 
ATOM   1456 C CB  . THR   A 1 191 ? -5.762  7.319   -1.709  1.000 17.428  0  436 THR   A CB  1 
ATOM   1457 O OG1 . THR   A 1 191 ? -7.033  6.900   -1.204  1.000 17.192  0  436 THR   A OG1 1 
ATOM   1458 C CG2 . THR   A 1 191 ? -5.938  8.563   -2.555  1.000 17.294  0  436 THR   A CG2 1 
ATOM   1459 N N   . VAL   A 1 192 ? -5.602  3.955   -1.736  1.000 15.978  0  437 VAL   A N   1 
ATOM   1460 C CA  . VAL   A 1 192 ? -5.378  2.696   -1.045  1.000 16.868  0  437 VAL   A CA  1 
ATOM   1461 C C   . VAL   A 1 192 ? -4.027  2.094   -1.416  1.000 17.195  0  437 VAL   A C   1 
ATOM   1462 O O   . VAL   A 1 192 ? -3.282  1.629   -0.562  1.000 17.416  0  437 VAL   A O   1 
ATOM   1463 C CB  . VAL   A 1 192 ? -6.514  1.725   -1.372  1.000 17.058  0  437 VAL   A CB  1 
ATOM   1464 C CG1 . VAL   A 1 192 ? -6.312  0.403   -0.671  1.000 17.577  0  437 VAL   A CG1 1 
ATOM   1465 C CG2 . VAL   A 1 192 ? -7.854  2.332   -0.976  1.000 17.962  0  437 VAL   A CG2 1 
ATOM   1466 N N   . LEU   A 1 193 ? -3.701  2.137   -2.705  1.000 17.982  0  438 LEU   A N   1 
ATOM   1467 C CA  . LEU   A 1 193 ? -2.419  1.675   -3.175  1.000 17.705  0  438 LEU   A CA  1 
ATOM   1468 C C   . LEU   A 1 193 ? -1.324  2.646   -2.762  1.000 19.340  0  438 LEU   A C   1 
ATOM   1469 O O   . LEU   A 1 193 ? -0.303  2.209   -2.256  1.000 21.610  0  438 LEU   A O   1 
ATOM   1470 C CB  . LEU   A 1 193 ? -2.499  1.518   -4.687  1.000 18.797  0  438 LEU   A CB  1 
ATOM   1471 C CG  . LEU   A 1 193 ? -3.592  0.561   -5.161  1.000 19.645  0  438 LEU   A CG  1 
ATOM   1472 C CD1 . LEU   A 1 193 ? -3.460  0.347   -6.653  1.000 21.436  0  438 LEU   A CD1 1 
ATOM   1473 C CD2 . LEU   A 1 193 ? -3.547  -0.769  -4.434  1.000 18.095  0  438 LEU   A CD2 1 
ATOM   1474 N N   . THR   A 1 194 ? -1.505  3.965   -2.934  1.000 19.664  0  439 THR   A N   1 
ATOM   1475 C CA  . THR   A 1 194 ? -0.379  4.864   -2.691  1.000 18.352  0  439 THR   A CA  1 
ATOM   1476 C C   . THR   A 1 194 ? -0.189  5.219   -1.205  1.000 18.806  0  439 THR   A C   1 
ATOM   1477 O O   . THR   A 1 194 ? 0.911   5.633   -0.831  1.000 18.844  0  439 THR   A O   1 
ATOM   1478 C CB  . THR   A 1 194 ? -0.471  6.118   -3.576  1.000 17.048  0  439 THR   A CB  1 
ATOM   1479 O OG1 . THR   A 1 194 ? -1.583  6.934   -3.206  1.000 15.970  0  439 THR   A OG1 1 
ATOM   1480 C CG2 . THR   A 1 194 ? -0.570  5.778   -5.041  1.000 16.773  0  439 THR   A CG2 1 
ATOM   1481 N N   . HIS   A 1 195 ? -1.250  5.187   -0.374  1.000 19.605  0  440 HIS   A N   1 
ATOM   1482 C CA  . HIS   A 1 195 ? -1.120  5.627   1.014   1.000 20.670  0  440 HIS   A CA  1 
ATOM   1483 C C   . HIS   A 1 195 ? -1.127  4.414   1.935   1.000 22.643  0  440 HIS   A C   1 
ATOM   1484 O O   . HIS   A 1 195 ? -1.896  4.343   2.895   1.000 22.924  0  440 HIS   A O   1 
ATOM   1485 C CB  . HIS   A 1 195 ? -2.250  6.554   1.439   1.000 21.078  0  440 HIS   A CB  1 
ATOM   1486 C CG  . HIS   A 1 195 ? -2.027  7.273   2.734   1.000 23.151  0  440 HIS   A CG  1 
ATOM   1487 N ND1 . HIS   A 1 195 ? -0.948  8.101   3.006   1.000 23.152  0  440 HIS   A ND1 1 
ATOM   1488 C CD2 . HIS   A 1 195 ? -2.823  7.335   3.815   1.000 22.671  0  440 HIS   A CD2 1 
ATOM   1489 C CE1 . HIS   A 1 195 ? -1.093  8.620   4.210   1.000 22.060  0  440 HIS   A CE1 1 
ATOM   1490 N NE2 . HIS   A 1 195 ? -2.236  8.191   4.705   1.000 22.070  0  440 HIS   A NE2 1 
ATOM   1491 N N   . ASP   A 1 196 ? -0.302  3.442   1.564   1.000 23.554  0  441 ASP   A N   1 
ATOM   1492 C CA  . ASP   A 1 196 ? -0.032  2.280   2.378   1.000 26.922  0  441 ASP   A CA  1 
ATOM   1493 C C   . ASP   A 1 196 ? -1.319  1.607   2.873   1.000 23.379  0  441 ASP   A C   1 
ATOM   1494 O O   . ASP   A 1 196 ? -1.391  1.169   4.011   1.000 22.877  0  441 ASP   A O   1 
ATOM   1495 C CB  . ASP   A 1 196 ? 1.051   2.675   3.385   1.000 31.121  0  441 ASP   A CB  1 
ATOM   1496 C CG  . ASP   A 1 196 ? 2.428   2.690   2.710   1.000 38.261  0  441 ASP   A CG  1 
ATOM   1497 O OD1 . ASP   A 1 196 ? 2.559   2.259   1.498   1.000 42.169  0  441 ASP   A OD1 1 
ATOM   1498 O OD2 . ASP   A 1 196 ? 3.366   3.127   3.366   1.000 39.450  0  441 ASP   A OD2 1 
ATOM   1499 N N   . GLY   A 1 197 ? -2.282  1.426   1.959   1.000 22.286  0  442 GLY   A N   1 
ATOM   1500 C CA  . GLY   A 1 197 ? -3.454  0.595   2.170   1.000 20.250  0  442 GLY   A CA  1 
ATOM   1501 C C   . GLY   A 1 197 ? -4.611  1.335   2.822   1.000 21.378  0  442 GLY   A C   1 
ATOM   1502 O O   . GLY   A 1 197 ? -5.574  0.698   3.212   1.000 22.075  0  442 GLY   A O   1 
ATOM   1503 N N   . GLU   A 1 198 ? -4.504  2.663   2.993   1.000 25.126  0  443 GLU   A N   1 
ATOM   1504 C CA  . GLU   A 1 198 ? -5.561  3.459   3.603   1.000 23.490  0  443 GLU   A CA  1 
ATOM   1505 C C   . GLU   A 1 198 ? -6.213  4.388   2.578   1.000 22.057  0  443 GLU   A C   1 
ATOM   1506 O O   . GLU   A 1 198 ? -5.535  5.080   1.798   1.000 21.791  0  443 GLU   A O   1 
ATOM   1507 C CB  . GLU   A 1 198 ? -5.023  4.283   4.767   1.000 25.141  0  443 GLU   A CB  1 
ATOM   1508 C CG  . GLU   A 1 198 ? -4.615  3.436   5.952   1.000 28.050  0  443 GLU   A CG  1 
ATOM   1509 C CD  . GLU   A 1 198 ? -4.031  4.248   7.100   1.000 30.643  0  443 GLU   A CD  1 
ATOM   1510 O OE1 . GLU   A 1 198 ? -3.018  4.910   6.880   1.000 28.392  0  443 GLU   A OE1 1 
ATOM   1511 O OE2 . GLU   A 1 198 ? -4.599  4.214   8.209   1.000 39.677  0  443 GLU   A OE2 1 
ATOM   1512 N N   . LEU   A 1 199 ? -7.548  4.436   2.648   1.000 18.540  0  444 LEU   A N   1 
ATOM   1513 C CA  . LEU   A 1 199 ? -8.322  5.252   1.737   1.000 18.337  0  444 LEU   A CA  1 
ATOM   1514 C C   . LEU   A 1 199 ? -8.409  6.668   2.289   1.000 19.793  0  444 LEU   A C   1 
ATOM   1515 O O   . LEU   A 1 199 ? -8.954  6.889   3.375   1.000 22.242  0  444 LEU   A O   1 
ATOM   1516 C CB  . LEU   A 1 199 ? -9.731  4.670   1.577   1.000 16.728  0  444 LEU   A CB  1 
ATOM   1517 C CG  . LEU   A 1 199 ? -10.590 5.393   0.535   1.000 15.794  0  444 LEU   A CG  1 
ATOM   1518 C CD1 . LEU   A 1 199 ? -10.107 5.091   -0.891  1.000 14.387  0  444 LEU   A CD1 1 
ATOM   1519 C CD2 . LEU   A 1 199 ? -12.065 5.031   0.728   1.000 15.641  0  444 LEU   A CD2 1 
ATOM   1520 N N   . LEU   A 1 200 ? -7.932  7.629   1.504   1.000 18.922  0  445 LEU   A N   1 
ATOM   1521 C CA  . LEU   A 1 200 ? -7.984  9.020   1.903   1.000 19.699  0  445 LEU   A CA  1 
ATOM   1522 C C   . LEU   A 1 200 ? -9.280  9.703   1.454   1.000 21.963  0  445 LEU   A C   1 
ATOM   1523 O O   . LEU   A 1 200 ? -9.848  9.408   0.386   1.000 24.434  0  445 LEU   A O   1 
ATOM   1524 C CB  . LEU   A 1 200 ? -6.774  9.705   1.271   1.000 20.166  0  445 LEU   A CB  1 
ATOM   1525 C CG  . LEU   A 1 200 ? -5.435  9.342   1.888   1.000 21.066  0  445 LEU   A CG  1 
ATOM   1526 C CD1 . LEU   A 1 200 ? -4.284  9.993   1.135   1.000 20.386  0  445 LEU   A CD1 1 
ATOM   1527 C CD2 . LEU   A 1 200 ? -5.436  9.729   3.364   1.000 22.882  0  445 LEU   A CD2 1 
ATOM   1528 N N   . PRO   A 1 201 ? -9.745  10.726  2.210   1.000 23.913  0  446 PRO   A N   1 
ATOM   1529 C CA  . PRO   A 1 201 ? -10.800 11.619  1.713   1.000 25.730  0  446 PRO   A CA  1 
ATOM   1530 C C   . PRO   A 1 201 ? -10.176 12.525  0.654   1.000 27.451  0  446 PRO   A C   1 
ATOM   1531 O O   . PRO   A 1 201 ? -8.976  12.779  0.707   1.000 24.471  0  446 PRO   A O   1 
ATOM   1532 C CB  . PRO   A 1 201 ? -11.238 12.400  2.949   1.000 23.468  0  446 PRO   A CB  1 
ATOM   1533 C CG  . PRO   A 1 201 ? -10.000 12.396  3.849   1.000 22.753  0  446 PRO   A CG  1 
ATOM   1534 C CD  . PRO   A 1 201 ? -9.233  11.132  3.531   1.000 22.641  0  446 PRO   A CD  1 
ATOM   1535 N N   . VAL   A 1 202 ? -10.971 12.972  -0.325  1.000 28.207  0  447 VAL   A N   1 
ATOM   1536 C CA  . VAL   A 1 202 ? -10.461 13.946  -1.274  1.000 30.266  0  447 VAL   A CA  1 
ATOM   1537 C C   . VAL   A 1 202 ? -10.903 15.348  -0.867  1.000 29.729  0  447 VAL   A C   1 
ATOM   1538 O O   . VAL   A 1 202 ? -11.951 15.523  -0.248  1.000 28.878  0  447 VAL   A O   1 
ATOM   1539 C CB  . VAL   A 1 202 ? -10.880 13.642  -2.720  1.000 30.973  0  447 VAL   A CB  1 
ATOM   1540 C CG1 . VAL   A 1 202 ? -10.087 12.480  -3.277  1.000 31.969  0  447 VAL   A CG1 1 
ATOM   1541 C CG2 . VAL   A 1 202 ? -12.372 13.405  -2.842  1.000 33.035  0  447 VAL   A CG2 1 
ATOM   1542 N N   . SER   A 1 203 ? -10.111 16.340  -1.286  1.000 31.375  0  448 SER   A N   1 
ATOM   1543 C CA  . SER   A 1 203 ? -10.341 17.723  -0.913  1.000 33.039  0  448 SER   A CA  1 
ATOM   1544 C C   . SER   A 1 203 ? -9.861  18.667  -2.022  1.000 33.779  0  448 SER   A C   1 
ATOM   1545 O O   . SER   A 1 203 ? -8.797  18.459  -2.609  1.000 31.205  0  448 SER   A O   1 
ATOM   1546 C CB  . SER   A 1 203 ? -9.658  17.982  0.407   1.000 34.566  0  448 SER   A CB  1 
ATOM   1547 O OG  . SER   A 1 203 ? -10.213 19.106  1.047   1.000 37.678  0  448 SER   A OG  1 
ATOM   1548 N N   . PHE   A 1 204 ? -10.679 19.697  -2.316  1.000 35.492  0  449 PHE   A N   1 
ATOM   1549 C CA  . PHE   A 1 204 ? -10.241 20.841  -3.109  1.000 33.188  0  449 PHE   A CA  1 
ATOM   1550 C C   . PHE   A 1 204 ? -9.581  21.922  -2.242  1.000 30.280  0  449 PHE   A C   1 
ATOM   1551 O O   . PHE   A 1 204 ? -9.084  22.873  -2.810  1.000 27.958  0  449 PHE   A O   1 
ATOM   1552 C CB  . PHE   A 1 204 ? -11.341 21.389  -4.043  1.000 31.498  0  449 PHE   A CB  1 
ATOM   1553 C CG  . PHE   A 1 204 ? -12.642 21.876  -3.449  1.000 35.035  0  449 PHE   A CG  1 
ATOM   1554 C CD1 . PHE   A 1 204 ? -12.691 22.984  -2.610  1.000 37.993  0  449 PHE   A CD1 1 
ATOM   1555 C CD2 . PHE   A 1 204 ? -13.846 21.268  -3.787  1.000 35.606  0  449 PHE   A CD2 1 
ATOM   1556 C CE1 . PHE   A 1 204 ? -13.893 23.440  -2.091  1.000 33.180  0  449 PHE   A CE1 1 
ATOM   1557 C CE2 . PHE   A 1 204 ? -15.054 21.730  -3.282  1.000 32.794  0  449 PHE   A CE2 1 
ATOM   1558 C CZ  . PHE   A 1 204 ? -15.071 22.820  -2.444  1.000 35.368  0  449 PHE   A CZ  1 
ATOM   1559 N N   . GLU   A 1 205 ? -9.471  21.733  -0.916  1.000 34.977  0  450 GLU   A N   1 
ATOM   1560 C CA  . GLU   A 1 205 ? -8.956  22.726  0.029   1.000 37.467  0  450 GLU   A CA  1 
ATOM   1561 C C   . GLU   A 1 205 ? -7.598  22.261  0.565   1.000 36.305  0  450 GLU   A C   1 
ATOM   1562 O O   . GLU   A 1 205 ? -7.409  21.071  0.741   1.000 39.675  0  450 GLU   A O   1 
ATOM   1563 C CB  . GLU   A 1 205 ? -9.948  22.885  1.196   1.000 40.181  0  450 GLU   A CB  1 
ATOM   1564 C CG  . GLU   A 1 205 ? -11.355 23.336  0.768   1.000 45.062  0  450 GLU   A CG  1 
ATOM   1565 C CD  . GLU   A 1 205 ? -12.539 23.146  1.736   1.000 52.674  0  450 GLU   A CD  1 
ATOM   1566 O OE1 . GLU   A 1 205 ? -12.898 21.976  2.055   1.000 49.411  0  450 GLU   A OE1 1 
ATOM   1567 O OE2 . GLU   A 1 205 ? -13.172 24.171  2.144   1.000 51.654  0  450 GLU   A OE2 1 
ATOM   1568 N N   . LYS   A 1 206 ? -6.647  23.168  0.837   1.000 38.662  0  451 LYS   A N   1 
ATOM   1569 C CA  . LYS   A 1 206 ? -5.424  22.768  1.521   1.000 41.509  0  451 LYS   A CA  1 
ATOM   1570 C C   . LYS   A 1 206 ? -5.792  22.242  2.903   1.000 37.919  0  451 LYS   A C   1 
ATOM   1571 O O   . LYS   A 1 206 ? -6.617  22.814  3.581   1.000 36.313  0  451 LYS   A O   1 
ATOM   1572 C CB  . LYS   A 1 206 ? -4.441  23.915  1.767   1.000 46.269  0  451 LYS   A CB  1 
ATOM   1573 C CG  . LYS   A 1 206 ? -3.753  24.514  0.552   1.000 57.235  0  451 LYS   A CG  1 
ATOM   1574 C CD  . LYS   A 1 206 ? -2.638  25.494  0.935   1.000 64.297  0  451 LYS   A CD  1 
ATOM   1575 C CE  . LYS   A 1 206 ? -2.236  26.477  -0.155  1.000 70.200  0  451 LYS   A CE  1 
ATOM   1576 N NZ  . LYS   A 1 206 ? -1.694  25.795  -1.361  1.000 68.854  0  451 LYS   A NZ  1 
ATOM   1577 N N   . GLN   A 1 207 ? -5.218  21.125  3.312   1.000 38.119  0  452 GLN   A N   1 
ATOM   1578 C CA  . GLN   A 1 207 ? -5.510  20.609  4.633   1.000 40.880  0  452 GLN   A CA  1 
ATOM   1579 C C   . GLN   A 1 207 ? -4.484  21.200  5.592   1.000 44.304  0  452 GLN   A C   1 
ATOM   1580 O O   . GLN   A 1 207 ? -3.287  21.135  5.312   1.000 42.695  0  452 GLN   A O   1 
ATOM   1581 C CB  . GLN   A 1 207 ? -5.477  19.079  4.639   1.000 39.805  0  452 GLN   A CB  1 
ATOM   1582 C CG  . GLN   A 1 207 ? -6.407  18.434  3.613   1.000 40.555  0  452 GLN   A CG  1 
ATOM   1583 C CD  . GLN   A 1 207 ? -7.877  18.427  3.982   1.000 39.852  0  452 GLN   A CD  1 
ATOM   1584 O OE1 . GLN   A 1 207 ? -8.455  19.470  4.265   1.000 36.162  0  452 GLN   A OE1 1 
ATOM   1585 N NE2 . GLN   A 1 207 ? -8.502  17.247  3.964   1.000 41.040  0  452 GLN   A NE2 1 
ATOM   1586 N N   . ALA   A 1 208 ? -4.970  21.783  6.702   1.000 44.161  0  453 ALA   A N   1 
ATOM   1587 C CA  . ALA   A 1 208 ? -4.106  22.230  7.779   1.000 41.890  0  453 ALA   A CA  1 
ATOM   1588 C C   . ALA   A 1 208 ? -3.531  20.992  8.470   1.000 43.189  0  453 ALA   A C   1 
ATOM   1589 O O   . ALA   A 1 208 ? -2.318  20.809  8.536   1.000 48.747  0  453 ALA   A O   1 
ATOM   1590 C CB  . ALA   A 1 208 ? -4.878  23.126  8.717   1.000 40.756  0  453 ALA   A CB  1 
ATOM   1591 N N   . VAL   A 1 209 ? -4.420  20.099  8.900   1.000 44.439  0  454 VAL   A N   1 
ATOM   1592 C CA  . VAL   A 1 209 ? -4.029  18.790  9.395   1.000 46.361  0  454 VAL   A CA  1 
ATOM   1593 C C   . VAL   A 1 209 ? -3.828  17.832  8.212   1.000 50.670  0  454 VAL   A C   1 
ATOM   1594 O O   . VAL   A 1 209 ? -4.644  17.819  7.283   1.000 46.157  0  454 VAL   A O   1 
ATOM   1595 C CB  . VAL   A 1 209 ? -5.100  18.259  10.361  1.000 45.416  0  454 VAL   A CB  1 
ATOM   1596 C CG1 . VAL   A 1 209 ? -4.612  17.018  11.091  1.000 48.684  0  454 VAL   A CG1 1 
ATOM   1597 C CG2 . VAL   A 1 209 ? -5.552  19.342  11.334  1.000 47.250  0  454 VAL   A CG2 1 
ATOM   1598 N N   . ALA   A 1 210 ? -2.755  17.015  8.256   1.000 50.139  0  455 ALA   A N   1 
ATOM   1599 C CA  . ALA   A 1 210 ? -2.607  15.876  7.349   1.000 45.295  0  455 ALA   A CA  1 
ATOM   1600 C C   . ALA   A 1 210 ? -3.742  14.864  7.597   1.000 45.622  0  455 ALA   A C   1 
ATOM   1601 O O   . ALA   A 1 210 ? -3.979  14.415  8.724   1.000 38.843  0  455 ALA   A O   1 
ATOM   1602 C CB  . ALA   A 1 210 ? -1.240  15.238  7.485   1.000 40.636  0  455 ALA   A CB  1 
ATOM   1603 N N   . PRO   A 1 211 ? -4.551  14.545  6.558   1.000 46.092  0  456 PRO   A N   1 
ATOM   1604 C CA  . PRO   A 1 211 ? -5.754  13.737  6.755   1.000 46.406  0  456 PRO   A CA  1 
ATOM   1605 C C   . PRO   A 1 211 ? -5.452  12.272  7.005   1.000 40.293  0  456 PRO   A C   1 
ATOM   1606 O O   . PRO   A 1 211 ? -4.497  11.771  6.443   1.000 40.946  0  456 PRO   A O   1 
ATOM   1607 C CB  . PRO   A 1 211 ? -6.566  13.936  5.464   1.000 51.408  0  456 PRO   A CB  1 
ATOM   1608 C CG  . PRO   A 1 211 ? -5.546  14.394  4.425   1.000 51.598  0  456 PRO   A CG  1 
ATOM   1609 C CD  . PRO   A 1 211 ? -4.441  15.087  5.188   1.000 49.188  0  456 PRO   A CD  1 
ATOM   1610 N N   . LYS   A 1 212 ? -6.288  11.646  7.854   1.000 39.981  0  457 LYS   A N   1 
ATOM   1611 C CA  . LYS   A 1 212 ? -6.269  10.225  8.171   1.000 43.611  0  457 LYS   A CA  1 
ATOM   1612 C C   . LYS   A 1 212 ? -7.053  9.459   7.109   1.000 43.081  0  457 LYS   A C   1 
ATOM   1613 O O   . LYS   A 1 212 ? -7.961  10.003  6.486   1.000 46.347  0  457 LYS   A O   1 
ATOM   1614 C CB  . LYS   A 1 212 ? -6.951  9.908   9.516   1.000 49.145  0  457 LYS   A CB  1 
ATOM   1615 C CG  . LYS   A 1 212 ? -6.525  10.728  10.731  1.000 56.493  0  457 LYS   A CG  1 
ATOM   1616 C CD  . LYS   A 1 212 ? -5.022  10.839  10.883  1.000 63.115  0  457 LYS   A CD  1 
ATOM   1617 C CE  . LYS   A 1 212 ? -4.592  11.304  12.258  1.000 66.538  0  457 LYS   A CE  1 
ATOM   1618 N NZ  . LYS   A 1 212 ? -3.158  10.988  12.472  1.000 71.738  0  457 LYS   A NZ  1 
ATOM   1619 N N   . GLY   A 1 213 ? -6.736  8.171   6.951   1.000 41.084  0  458 GLY   A N   1 
ATOM   1620 C CA  . GLY   A 1 213 ? -7.420  7.318   5.991   1.000 40.486  0  458 GLY   A CA  1 
ATOM   1621 C C   . GLY   A 1 213 ? -8.024  6.103   6.682   1.000 37.603  0  458 GLY   A C   1 
ATOM   1622 O O   . GLY   A 1 213 ? -7.576  5.730   7.753   1.000 42.472  0  458 GLY   A O   1 
ATOM   1623 N N   . LYS   A 1 214 ? -9.035  5.492   6.068   1.000 33.363  0  459 LYS   A N   1 
ATOM   1624 C CA  . LYS   A 1 214 ? -9.587  4.254   6.581   1.000 33.914  0  459 LYS   A CA  1 
ATOM   1625 C C   . LYS   A 1 214 ? -8.792  3.099   5.957   1.000 32.025  0  459 LYS   A C   1 
ATOM   1626 O O   . LYS   A 1 214 ? -8.632  3.044   4.743   1.000 30.869  0  459 LYS   A O   1 
ATOM   1627 C CB  . LYS   A 1 214 ? -11.096 4.264   6.324   1.000 36.221  0  459 LYS   A CB  1 
ATOM   1628 C CG  . LYS   A 1 214 ? -11.823 2.928   6.438   1.000 44.777  0  459 LYS   A CG  1 
ATOM   1629 C CD  . LYS   A 1 214 ? -13.337 3.026   6.161   1.000 53.419  0  459 LYS   A CD  1 
ATOM   1630 C CE  . LYS   A 1 214 ? -13.717 3.573   4.787   1.000 54.348  0  459 LYS   A CE  1 
ATOM   1631 N NZ  . LYS   A 1 214 ? -13.457 2.596   3.699   1.000 51.493  0  459 LYS   A NZ  1 
ATOM   1632 N N   . ARG   A 1 215 ? -8.248  2.219   6.811   1.000 28.820  0  460 ARG   A N   1 
ATOM   1633 C CA  . ARG   A 1 215 ? -7.516  1.024   6.416   1.000 28.160  0  460 ARG   A CA  1 
ATOM   1634 C C   . ARG   A 1 215 ? -8.437  0.054   5.669   1.000 27.224  0  460 ARG   A C   1 
ATOM   1635 O O   . ARG   A 1 215 ? -9.529  -0.229  6.156   1.000 25.288  0  460 ARG   A O   1 
ATOM   1636 C CB  . ARG   A 1 215 ? -6.916  0.401   7.683   1.000 30.193  0  460 ARG   A CB  1 
ATOM   1637 C CG  . ARG   A 1 215 ? -6.466  -1.056  7.596   1.000 33.833  0  460 ARG   A CG  1 
ATOM   1638 C CD  . ARG   A 1 215 ? -5.063  -1.326  7.111   1.000 32.180  0  460 ARG   A CD  1 
ATOM   1639 N NE  . ARG   A 1 215 ? -4.106  -0.480  7.801   1.000 32.553  0  460 ARG   A NE  1 
ATOM   1640 C CZ  . ARG   A 1 215 ? -3.105  0.173   7.197   1.000 31.798  0  460 ARG   A CZ  1 
ATOM   1641 N NH1 . ARG   A 1 215 ? -2.480  1.162   7.808   1.000 29.975  0  460 ARG   A NH1 1 
ATOM   1642 N NH2 . ARG   A 1 215 ? -2.775  -0.107  5.948   1.000 28.234  0  460 ARG   A NH2 1 
ATOM   1643 N N   . VAL   A 1 216 ? -7.957  -0.474  4.514   1.000 24.273  0  461 VAL   A N   1 
ATOM   1644 C CA  . VAL   A 1 216 ? -8.687  -1.415  3.654   1.000 20.708  0  461 VAL   A CA  1 
ATOM   1645 C C   . VAL   A 1 216 ? -7.865  -2.693  3.389   1.000 18.945  0  461 VAL   A C   1 
ATOM   1646 O O   . VAL   A 1 216 ? -8.400  -3.789  3.362   1.000 15.879  0  461 VAL   A O   1 
ATOM   1647 C CB  . VAL   A 1 216 ? -9.094  -0.717  2.339   1.000 19.392  0  461 VAL   A CB  1 
ATOM   1648 C CG1 . VAL   A 1 216 ? -9.615  -1.681  1.296   1.000 18.623  0  461 VAL   A CG1 1 
ATOM   1649 C CG2 . VAL   A 1 216 ? -10.110 0.390   2.572   1.000 20.173  0  461 VAL   A CG2 1 
ATOM   1650 N N   . ILE   A 1 217 ? -6.561  -2.550  3.141   1.000 18.092  0  462 ILE   A N   1 
ATOM   1651 C CA  . ILE   A 1 217 ? -5.639  -3.656  2.955   1.000 17.626  0  462 ILE   A CA  1 
ATOM   1652 C C   . ILE   A 1 217 ? -4.410  -3.314  3.789   1.000 18.860  0  462 ILE   A C   1 
ATOM   1653 O O   . ILE   A 1 217 ? -4.255  -2.174  4.220   1.000 17.970  0  462 ILE   A O   1 
ATOM   1654 C CB  . ILE   A 1 217 ? -5.258  -3.836  1.471   1.000 17.292  0  462 ILE   A CB  1 
ATOM   1655 C CG1 . ILE   A 1 217 ? -4.509  -2.606  0.946   1.000 17.819  0  462 ILE   A CG1 1 
ATOM   1656 C CG2 . ILE   A 1 217 ? -6.462  -4.177  0.620   1.000 16.477  0  462 ILE   A CG2 1 
ATOM   1657 C CD1 . ILE   A 1 217 ? -4.049  -2.691  -0.498  1.000 18.206  0  462 ILE   A CD1 1 
ATOM   1658 N N   . LYS   A 1 218 ? -3.542  -4.292  4.035   1.000 20.365  0  463 LYS   A N   1 
ATOM   1659 C CA  . LYS   A 1 218 ? -2.316  -4.001  4.754   1.000 22.449  0  463 LYS   A CA  1 
ATOM   1660 C C   . LYS   A 1 218 ? -1.325  -3.238  3.861   1.000 22.352  0  463 LYS   A C   1 
ATOM   1661 O O   . LYS   A 1 218 ? -1.325  -3.351  2.642   1.000 21.249  0  463 LYS   A O   1 
ATOM   1662 C CB  . LYS   A 1 218 ? -1.632  -5.294  5.181   1.000 24.219  0  463 LYS   A CB  1 
ATOM   1663 C CG  . LYS   A 1 218 ? -2.476  -6.242  6.003   1.000 26.002  0  463 LYS   A CG  1 
ATOM   1664 C CD  . LYS   A 1 218 ? -1.651  -7.433  6.436   1.000 30.861  0  463 LYS   A CD  1 
ATOM   1665 C CE  . LYS   A 1 218 ? -1.279  -8.381  5.305   1.000 32.571  0  463 LYS   A CE  1 
ATOM   1666 N NZ  . LYS   A 1 218 ? -2.453  -9.186  4.864   1.000 33.877  0  463 LYS   A NZ  1 
ATOM   1667 N N   . ALA   A 1 219 ? -0.436  -2.492  4.511   1.000 22.060  0  464 ALA   A N   1 
ATOM   1668 C CA  . ALA   A 1 219 ? 0.663   -1.781  3.870   1.000 21.504  0  464 ALA   A CA  1 
ATOM   1669 C C   . ALA   A 1 219 ? 1.512   -2.677  2.960   1.000 18.208  0  464 ALA   A C   1 
ATOM   1670 O O   . ALA   A 1 219 ? 1.846   -2.282  1.853   1.000 18.015  0  464 ALA   A O   1 
ATOM   1671 C CB  . ALA   A 1 219 ? 1.531   -1.139  4.944   1.000 20.158  0  464 ALA   A CB  1 
ATOM   1672 N N   . SER   A 1 220 ? 1.906   -3.849  3.447   1.000 17.529  0  465 SER   A N   1 
ATOM   1673 C CA  . SER   A 1 220 ? 2.734   -4.769  2.684   1.000 17.857  0  465 SER   A CA  1 
ATOM   1674 C C   . SER   A 1 220 ? 2.043   -5.170  1.375   1.000 18.406  0  465 SER   A C   1 
ATOM   1675 O O   . SER   A 1 220 ? 2.723   -5.374  0.369   1.000 19.173  0  465 SER   A O   1 
ATOM   1676 C CB  . SER   A 1 220 ? 3.088   -5.970  3.507   1.000 17.047  0  465 SER   A CB  1 
ATOM   1677 O OG  . SER   A 1 220 ? 1.925   -6.744  3.778   1.000 17.808  0  465 SER   A OG  1 
ATOM   1678 N N   . THR   A 1 221 ? 0.699   -5.259  1.379   1.000 17.174  0  466 THR   A N   1 
ATOM   1679 C CA  . THR   A 1 221 ? -0.027  -5.576  0.161   1.000 17.794  0  466 THR   A CA  1 
ATOM   1680 C C   . THR   A 1 221 ? 0.012   -4.415  -0.847  1.000 18.027  0  466 THR   A C   1 
ATOM   1681 O O   . THR   A 1 221 ? 0.208   -4.593  -2.060  1.000 16.438  0  466 THR   A O   1 
ATOM   1682 C CB  . THR   A 1 221 ? -1.499  -5.889  0.444   1.000 17.953  0  466 THR   A CB  1 
ATOM   1683 O OG1 . THR   A 1 221 ? -1.575  -6.846  1.502   1.000 16.761  0  466 THR   A OG1 1 
ATOM   1684 C CG2 . THR   A 1 221 ? -2.217  -6.341  -0.814  1.000 17.956  0  466 THR   A CG2 1 
ATOM   1685 N N   . ALA   A 1 222 ? -0.288  -3.220  -0.350  1.000 17.713  0  467 ALA   A N   1 
ATOM   1686 C CA  . ALA   A 1 222 ? -0.202  -2.050  -1.188  1.000 19.226  0  467 ALA   A CA  1 
ATOM   1687 C C   . ALA   A 1 222 ? 1.189   -2.061  -1.830  1.000 20.934  0  467 ALA   A C   1 
ATOM   1688 O O   . ALA   A 1 222 ? 1.320   -1.869  -3.046  1.000 20.529  0  467 ALA   A O   1 
ATOM   1689 C CB  . ALA   A 1 222 ? -0.488  -0.813  -0.367  1.000 18.383  0  467 ALA   A CB  1 
ATOM   1690 N N   . LYS   A 1 223 ? 2.208   -2.385  -1.015  1.000 21.806  0  468 LYS   A N   1 
ATOM   1691 C CA  . LYS   A 1 223 ? 3.591   -2.231  -1.433  1.000 23.556  0  468 LYS   A CA  1 
ATOM   1692 C C   . LYS   A 1 223 ? 3.842   -3.158  -2.621  1.000 20.708  0  468 LYS   A C   1 
ATOM   1693 O O   . LYS   A 1 223 ? 4.382   -2.746  -3.651  1.000 17.968  0  468 LYS   A O   1 
ATOM   1694 C CB  . LYS   A 1 223 ? 4.521   -2.502  -0.245  1.000 26.916  0  468 LYS   A CB  1 
ATOM   1695 C CG  . LYS   A 1 223 ? 6.006   -2.448  -0.578  1.000 30.735  0  468 LYS   A CG  1 
ATOM   1696 C CD  . LYS   A 1 223 ? 6.941   -2.621  0.631   1.000 35.803  0  468 LYS   A CD  1 
ATOM   1697 C CE  . LYS   A 1 223 ? 8.410   -2.404  0.302   1.000 34.921  0  468 LYS   A CE  1 
ATOM   1698 N NZ  . LYS   A 1 223 ? 9.209   -3.566  0.767   1.000 34.974  0  468 LYS   A NZ  1 
ATOM   1699 N N   . LYS   A 1 224 ? 3.362   -4.394  -2.463  1.000 19.790  0  469 LYS   A N   1 
ATOM   1700 C CA  . LYS   A 1 224 ? 3.533   -5.436  -3.451  1.000 20.856  0  469 LYS   A CA  1 
ATOM   1701 C C   . LYS   A 1 224 ? 2.793   -5.115  -4.745  1.000 19.026  0  469 LYS   A C   1 
ATOM   1702 O O   . LYS   A 1 224 ? 3.298   -5.413  -5.819  1.000 18.779  0  469 LYS   A O   1 
ATOM   1703 C CB  . LYS   A 1 224 ? 2.984   -6.746  -2.895  1.000 24.282  0  469 LYS   A CB  1 
ATOM   1704 C CG  . LYS   A 1 224 ? 3.409   -7.994  -3.656  1.000 28.214  0  469 LYS   A CG  1 
ATOM   1705 C CD  . LYS   A 1 224 ? 4.904   -8.284  -3.477  1.000 32.923  0  469 LYS   A CD  1 
ATOM   1706 C CE  . LYS   A 1 224 ? 5.450   -9.253  -4.506  1.000 37.376  0  469 LYS   A CE  1 
ATOM   1707 N NZ  . LYS   A 1 224 ? 6.926   -9.209  -4.560  1.000 39.603  0  469 LYS   A NZ  1 
ATOM   1708 N N   . VAL   A 1 225 ? 1.580   -4.579  -4.629  1.000 16.680  0  470 VAL   A N   1 
ATOM   1709 C CA  . VAL   A 1 225 ? 0.777   -4.272  -5.797  1.000 17.808  0  470 VAL   A CA  1 
ATOM   1710 C C   . VAL   A 1 225 ? 1.419   -3.142  -6.608  1.000 17.647  0  470 VAL   A C   1 
ATOM   1711 O O   . VAL   A 1 225 ? 1.450   -3.180  -7.844  1.000 14.879  0  470 VAL   A O   1 
ATOM   1712 C CB  . VAL   A 1 225 ? -0.668  -3.904  -5.410  1.000 17.119  0  470 VAL   A CB  1 
ATOM   1713 C CG1 . VAL   A 1 225 ? -1.406  -3.308  -6.595  1.000 16.952  0  470 VAL   A CG1 1 
ATOM   1714 C CG2 . VAL   A 1 225 ? -1.412  -5.097  -4.828  1.000 16.571  0  470 VAL   A CG2 1 
ATOM   1715 N N   . ARG   A 1 226 ? 1.911   -2.122  -5.898  1.000 17.887  0  471 ARG   A N   1 
ATOM   1716 C CA  . ARG   A 1 226 ? 2.663   -1.070  -6.567  1.000 17.909  0  471 ARG   A CA  1 
ATOM   1717 C C   . ARG   A 1 226 ? 3.817   -1.678  -7.374  1.000 19.415  0  471 ARG   A C   1 
ATOM   1718 O O   . ARG   A 1 226 ? 4.020   -1.304  -8.540  1.000 19.196  0  471 ARG   A O   1 
ATOM   1719 C CB  . ARG   A 1 226 ? 3.145   -0.016  -5.568  1.000 16.542  0  471 ARG   A CB  1 
ATOM   1720 C CG  . ARG   A 1 226 ? 2.027   0.848   -5.009  1.000 16.694  0  471 ARG   A CG  1 
ATOM   1721 C CD  . ARG   A 1 226 ? 2.454   2.119   -4.279  1.000 17.140  0  471 ARG   A CD  1 
ATOM   1722 N NE  . ARG   A 1 226 ? 3.614   1.963   -3.402  1.000 16.813  0  471 ARG   A NE  1 
ATOM   1723 C CZ  . ARG   A 1 226 ? 3.585   1.794   -2.085  1.000 16.712  0  471 ARG   A CZ  1 
ATOM   1724 N NH1 . ARG   A 1 226 ? 2.447   1.632   -1.434  1.000 15.598  0  471 ARG   A NH1 1 
ATOM   1725 N NH2 . ARG   A 1 226 ? 4.725   1.799   -1.418  1.000 16.519  0  471 ARG   A NH2 1 
ATOM   1726 N N   . GLU   A 1 227 ? 4.527   -2.656  -6.787  1.000 19.968  0  472 GLU   A N   1 
ATOM   1727 C CA  . GLU   A 1 227 ? 5.631   -3.283  -7.485  1.000 22.102  0  472 GLU   A CA  1 
ATOM   1728 C C   . GLU   A 1 227 ? 5.107   -3.946  -8.755  1.000 20.112  0  472 GLU   A C   1 
ATOM   1729 O O   . GLU   A 1 227 ? 5.664   -3.730  -9.825  1.000 20.349  0  472 GLU   A O   1 
ATOM   1730 C CB  . GLU   A 1 227 ? 6.340   -4.243  -6.546  1.000 28.844  0  472 GLU   A CB  1 
ATOM   1731 C CG  . GLU   A 1 227 ? 7.496   -5.001  -7.180  1.000 38.481  0  472 GLU   A CG  1 
ATOM   1732 C CD  . GLU   A 1 227 ? 7.709   -6.379  -6.547  1.000 51.746  0  472 GLU   A CD  1 
ATOM   1733 O OE1 . GLU   A 1 227 ? 7.126   -6.626  -5.461  1.000 63.644  0  472 GLU   A OE1 1 
ATOM   1734 O OE2 . GLU   A 1 227 ? 8.416   -7.227  -7.144  1.000 57.669  0  472 GLU   A OE2 1 
ATOM   1735 N N   . LEU   A 1 228 ? 3.999   -4.690  -8.643  1.000 18.753  0  473 LEU   A N   1 
ATOM   1736 C CA  . LEU   A 1 228 ? 3.414   -5.404  -9.773  1.000 19.194  0  473 LEU   A CA  1 
ATOM   1737 C C   . LEU   A 1 228 ? 2.961   -4.428  -10.860 1.000 18.199  0  473 LEU   A C   1 
ATOM   1738 O O   . LEU   A 1 228 ? 2.990   -4.774  -12.034 1.000 16.857  0  473 LEU   A O   1 
ATOM   1739 C CB  . LEU   A 1 228 ? 2.207   -6.258  -9.334  1.000 20.382  0  473 LEU   A CB  1 
ATOM   1740 C CG  . LEU   A 1 228 ? 2.505   -7.428  -8.392  1.000 21.052  0  473 LEU   A CG  1 
ATOM   1741 C CD1 . LEU   A 1 228 ? 1.219   -8.059  -7.886  1.000 21.211  0  473 LEU   A CD1 1 
ATOM   1742 C CD2 . LEU   A 1 228 ? 3.379   -8.492  -9.053  1.000 20.993  0  473 LEU   A CD2 1 
ATOM   1743 N N   . MET   A 1 229 ? 2.514   -3.231  -10.474 1.000 17.315  0  474 MET   A N   1 
ATOM   1744 C CA  . MET   A 1 229 ? 1.913   -2.337  -11.438 1.000 17.937  0  474 MET   A CA  1 
ATOM   1745 C C   . MET   A 1 229 ? 2.966   -1.669  -12.324 1.000 18.410  0  474 MET   A C   1 
ATOM   1746 O O   . MET   A 1 229 ? 2.667   -1.229  -13.452 1.000 18.147  0  474 MET   A O   1 
ATOM   1747 C CB  . MET   A 1 229 ? 1.068   -1.294  -10.718 1.000 18.802  0  474 MET   A CB  1 
ATOM   1748 C CG  . MET   A 1 229 ? -0.289  -1.853  -10.344 1.000 19.391  0  474 MET   A CG  1 
ATOM   1749 S SD  . MET   A 1 229 ? -1.356  -0.722  -9.406  1.000 19.622  0  474 MET   A SD  1 
ATOM   1750 C CE  . MET   A 1 229 ? -1.669  0.502   -10.680 1.000 18.051  0  474 MET   A CE  1 
ATOM   1751 N N   . VAL   A 1 230 ? 4.205   -1.648  -11.829 1.000 17.517  0  475 VAL   A N   1 
ATOM   1752 C CA  . VAL   A 1 230 ? 5.326   -1.170  -12.617 1.000 17.972  0  475 VAL   A CA  1 
ATOM   1753 C C   . VAL   A 1 230 ? 5.466   -2.001  -13.902 1.000 18.963  0  475 VAL   A C   1 
ATOM   1754 O O   . VAL   A 1 230 ? 5.911   -1.477  -14.944 1.000 18.854  0  475 VAL   A O   1 
ATOM   1755 C CB  . VAL   A 1 230 ? 6.635   -1.174  -11.792 1.000 16.767  0  475 VAL   A CB  1 
ATOM   1756 C CG1 . VAL   A 1 230 ? 7.841   -0.806  -12.664 1.000 16.328  0  475 VAL   A CG1 1 
ATOM   1757 C CG2 . VAL   A 1 230 ? 6.536   -0.265  -10.580 1.000 15.595  0  475 VAL   A CG2 1 
ATOM   1758 N N   . SER   A 1 231 ? 5.094   -3.288  -13.827 1.000 18.324  0  476 SER   A N   1 
ATOM   1759 C CA  . SER   A 1 231 ? 5.105   -4.161  -14.999 1.000 20.108  0  476 SER   A CA  1 
ATOM   1760 C C   . SER   A 1 231 ? 4.301   -3.571  -16.159 1.000 20.801  0  476 SER   A C   1 
ATOM   1761 O O   . SER   A 1 231 ? 4.513   -3.935  -17.307 1.000 23.193  0  476 SER   A O   1 
ATOM   1762 C CB  . SER   A 1 231 ? 4.609   -5.564  -14.672 1.000 20.309  0  476 SER   A CB  1 
ATOM   1763 O OG  . SER   A 1 231 ? 3.190   -5.579  -14.472 1.000 21.575  0  476 SER   A OG  1 
ATOM   1764 N N   . VAL   A 1 232 ? 3.333   -2.698  -15.867 1.000 22.175  0  477 VAL   A N   1 
ATOM   1765 C CA  . VAL   A 1 232 ? 2.393   -2.252  -16.882 1.000 20.440  0  477 VAL   A CA  1 
ATOM   1766 C C   . VAL   A 1 232 ? 3.104   -1.304  -17.821 1.000 21.473  0  477 VAL   A C   1 
ATOM   1767 O O   . VAL   A 1 232 ? 2.769   -1.253  -18.998 1.000 21.648  0  477 VAL   A O   1 
ATOM   1768 C CB  . VAL   A 1 232 ? 1.154   -1.606  -16.244 1.000 18.770  0  477 VAL   A CB  1 
ATOM   1769 C CG1 . VAL   A 1 232 ? 0.252   -0.906  -17.252 1.000 18.540  0  477 VAL   A CG1 1 
ATOM   1770 C CG2 . VAL   A 1 232 ? 0.382   -2.649  -15.474 1.000 19.434  0  477 VAL   A CG2 1 
ATOM   1771 N N   . THR   A 1 233 ? 4.088   -0.574  -17.278 1.000 23.885  0  478 THR   A N   1 
ATOM   1772 C CA  . THR   A 1 233 ? 4.751   0.496   -18.014 1.000 24.465  0  478 THR   A CA  1 
ATOM   1773 C C   . THR   A 1 233 ? 6.104   0.038   -18.553 1.000 24.095  0  478 THR   A C   1 
ATOM   1774 O O   . THR   A 1 233 ? 6.754   0.783   -19.261 1.000 24.302  0  478 THR   A O   1 
ATOM   1775 C CB  . THR   A 1 233 ? 4.856   1.754   -17.146 1.000 22.268  0  478 THR   A CB  1 
ATOM   1776 O OG1 . THR   A 1 233 ? 5.600   1.460   -15.971 1.000 23.614  0  478 THR   A OG1 1 
ATOM   1777 C CG2 . THR   A 1 233 ? 3.500   2.244   -16.721 1.000 23.156  0  478 THR   A CG2 1 
ATOM   1778 N N   . GLU   A 1 234 ? 6.516   -1.187  -18.213 1.000 29.176  0  479 GLU   A N   1 
ATOM   1779 C CA  . GLU   A 1 234 ? 7.764   -1.771  -18.688 1.000 28.585  0  479 GLU   A CA  1 
ATOM   1780 C C   . GLU   A 1 234 ? 7.451   -2.634  -19.905 1.000 28.602  0  479 GLU   A C   1 
ATOM   1781 O O   . GLU   A 1 234 ? 6.291   -2.908  -20.193 1.000 32.510  0  479 GLU   A O   1 
ATOM   1782 C CB  . GLU   A 1 234 ? 8.417   -2.596  -17.581 1.000 26.456  0  479 GLU   A CB  1 
ATOM   1783 C CG  . GLU   A 1 234 ? 9.092   -1.750  -16.527 1.000 28.265  0  479 GLU   A CG  1 
ATOM   1784 C CD  . GLU   A 1 234 ? 9.758   -2.561  -15.413 1.000 33.564  0  479 GLU   A CD  1 
ATOM   1785 O OE1 . GLU   A 1 234 ? 10.574  -1.974  -14.646 1.000 31.654  0  479 GLU   A OE1 1 
ATOM   1786 O OE2 . GLU   A 1 234 ? 9.439   -3.779  -15.280 1.000 35.129  0  479 GLU   A OE2 1 
ATOM   1787 N N   . ALA   A 1 235 ? 8.487   -3.050  -20.622 1.000 28.107  0  480 ALA   A N   1 
ATOM   1788 C CA  . ALA   A 1 235 ? 8.306   -3.769  -21.874 1.000 28.172  0  480 ALA   A CA  1 
ATOM   1789 C C   . ALA   A 1 235 ? 7.571   -5.069  -21.587 1.000 27.193  0  480 ALA   A C   1 
ATOM   1790 O O   . ALA   A 1 235 ? 7.943   -5.787  -20.655 1.000 28.515  0  480 ALA   A O   1 
ATOM   1791 C CB  . ALA   A 1 235 ? 9.651   -4.017  -22.511 1.000 27.754  0  480 ALA   A CB  1 
ATOM   1792 N N   . GLY   A 1 236 ? 6.517   -5.340  -22.365 1.000 26.529  0  481 GLY   A N   1 
ATOM   1793 C CA  . GLY   A 1 236 ? 5.652   -6.497  -22.126 1.000 27.312  0  481 GLY   A CA  1 
ATOM   1794 C C   . GLY   A 1 236 ? 4.241   -6.156  -21.623 1.000 26.019  0  481 GLY   A C   1 
ATOM   1795 O O   . GLY   A 1 236 ? 3.335   -6.997  -21.681 1.000 25.837  0  481 GLY   A O   1 
ATOM   1796 N N   . GLY   A 1 237 ? 4.071   -4.935  -21.111 1.000 25.769  0  482 GLY   A N   1 
ATOM   1797 C CA  . GLY   A 1 237 ? 2.814   -4.504  -20.528 1.000 28.463  0  482 GLY   A CA  1 
ATOM   1798 C C   . GLY   A 1 237 ? 2.007   -3.614  -21.471 1.000 27.495  0  482 GLY   A C   1 
ATOM   1799 O O   . GLY   A 1 237 ? 2.530   -3.071  -22.439 1.000 31.434  0  482 GLY   A O   1 
ATOM   1800 N N   . THR   A 1 238 ? 0.739   -3.423  -21.108 1.000 26.652  0  483 THR   A N   1 
ATOM   1801 C CA  . THR   A 1 238 ? -0.246  -2.638  -21.847 1.000 24.811  0  483 THR   A CA  1 
ATOM   1802 C C   . THR   A 1 238 ? 0.107   -1.147  -21.864 1.000 25.597  0  483 THR   A C   1 
ATOM   1803 O O   . THR   A 1 238 ? -0.315  -0.421  -22.770 1.000 25.090  0  483 THR   A O   1 
ATOM   1804 C CB  . THR   A 1 238 ? -1.647  -2.885  -21.245 1.000 24.053  0  483 THR   A CB  1 
ATOM   1805 O OG1 . THR   A 1 238 ? -1.657  -2.770  -19.807 1.000 25.335  0  483 THR   A OG1 1 
ATOM   1806 C CG2 . THR   A 1 238 ? -2.173  -4.263  -21.596 1.000 22.752  0  483 THR   A CG2 1 
ATOM   1807 N N   . GLY   A 1 239 ? 0.898   -0.679  -20.881 1.000 25.796  0  484 GLY   A N   1 
ATOM   1808 C CA  . GLY   A 1 239 ? 0.944   0.741   -20.555 1.000 24.986  0  484 GLY   A CA  1 
ATOM   1809 C C   . GLY   A 1 239 ? 2.298   1.418   -20.722 1.000 25.083  0  484 GLY   A C   1 
ATOM   1810 O O   . GLY   A 1 239 ? 2.557   2.398   -20.022 1.000 24.526  0  484 GLY   A O   1 
ATOM   1811 N N   . THR   A 1 240 ? 3.102   0.968   -21.697 1.000 26.505  0  485 THR   A N   1 
ATOM   1812 C CA  . THR   A 1 240 ? 4.444   1.501   -21.914 1.000 25.565  0  485 THR   A CA  1 
ATOM   1813 C C   . THR   A 1 240 ? 4.388   2.936   -22.423 1.000 24.121  0  485 THR   A C   1 
ATOM   1814 O O   . THR   A 1 240 ? 5.342   3.691   -22.265 1.000 28.888  0  485 THR   A O   1 
ATOM   1815 C CB  . THR   A 1 240 ? 5.290   0.651   -22.886 1.000 25.619  0  485 THR   A CB  1 
ATOM   1816 O OG1 . THR   A 1 240 ? 4.701   0.675   -24.188 1.000 24.173  0  485 THR   A OG1 1 
ATOM   1817 C CG2 . THR   A 1 240 ? 5.478   -0.778  -22.422 1.000 22.928  0  485 THR   A CG2 1 
ATOM   1818 N N   . ALA   A 1 241 ? 3.278   3.340   -23.032 1.000 24.603  0  486 ALA   A N   1 
ATOM   1819 C CA  . ALA   A 1 241 ? 3.154   4.726   -23.489 1.000 24.340  0  486 ALA   A CA  1 
ATOM   1820 C C   . ALA   A 1 241 ? 3.239   5.713   -22.314 1.000 23.702  0  486 ALA   A C   1 
ATOM   1821 O O   . ALA   A 1 241 ? 3.487   6.907   -22.495 1.000 24.935  0  486 ALA   A O   1 
ATOM   1822 C CB  . ALA   A 1 241 ? 1.853   4.874   -24.257 1.000 23.932  0  486 ALA   A CB  1 
ATOM   1823 N N   . GLY   A 1 242 ? 2.978   5.223   -21.095 1.000 23.560  0  487 GLY   A N   1 
ATOM   1824 C CA  . GLY   A 1 242 ? 2.942   6.074   -19.919 1.000 22.711  0  487 GLY   A CA  1 
ATOM   1825 C C   . GLY   A 1 242 ? 4.238   6.049   -19.107 1.000 21.207  0  487 GLY   A C   1 
ATOM   1826 O O   . GLY   A 1 242 ? 4.258   6.614   -18.012 1.000 21.681  0  487 GLY   A O   1 
ATOM   1827 N N   . ALA   A 1 243 ? 5.308   5.412   -19.615 1.000 19.865  0  488 ALA   A N   1 
ATOM   1828 C CA  . ALA   A 1 243 ? 6.563   5.425   -18.873 1.000 21.225  0  488 ALA   A CA  1 
ATOM   1829 C C   . ALA   A 1 243 ? 7.146   6.852   -18.836 1.000 20.934  0  488 ALA   A C   1 
ATOM   1830 O O   . ALA   A 1 243 ? 7.026   7.612   -19.779 1.000 22.534  0  488 ALA   A O   1 
ATOM   1831 C CB  . ALA   A 1 243 ? 7.521   4.398   -19.428 1.000 20.018  0  488 ALA   A CB  1 
ATOM   1832 N N   . VAL   A 1 244 ? 7.760   7.243   -17.719 1.000 20.971  0  489 VAL   A N   1 
ATOM   1833 C CA  . VAL   A 1 244 ? 8.351   8.568   -17.581 1.000 21.068  0  489 VAL   A CA  1 
ATOM   1834 C C   . VAL   A 1 244 ? 9.843   8.391   -17.348 1.000 22.997  0  489 VAL   A C   1 
ATOM   1835 O O   . VAL   A 1 244 ? 10.249  7.592   -16.510 1.000 25.869  0  489 VAL   A O   1 
ATOM   1836 C CB  . VAL   A 1 244 ? 7.723   9.376   -16.431 1.000 19.130  0  489 VAL   A CB  1 
ATOM   1837 C CG1 . VAL   A 1 244 ? 8.456   10.673  -16.140 1.000 17.714  0  489 VAL   A CG1 1 
ATOM   1838 C CG2 . VAL   A 1 244 ? 6.261   9.640   -16.692 1.000 19.857  0  489 VAL   A CG2 1 
ATOM   1839 N N   . ASP   A 1 245 ? 10.641  9.187   -18.055 1.000 25.390  0  490 ASP   A N   1 
ATOM   1840 C CA  . ASP   A 1 245 ? 12.083  9.081   -17.965 1.000 28.077  0  490 ASP   A CA  1 
ATOM   1841 C C   . ASP   A 1 245 ? 12.497  9.448   -16.536 1.000 26.890  0  490 ASP   A C   1 
ATOM   1842 O O   . ASP   A 1 245 ? 11.983  10.401  -15.960 1.000 29.160  0  490 ASP   A O   1 
ATOM   1843 C CB  . ASP   A 1 245 ? 12.698  9.951   -19.062 1.000 32.688  0  490 ASP   A CB  1 
ATOM   1844 C CG  . ASP   A 1 245 ? 14.154  9.658   -19.353 1.000 40.856  0  490 ASP   A CG  1 
ATOM   1845 O OD1 . ASP   A 1 245 ? 14.520  8.437   -19.491 1.000 44.073  0  490 ASP   A OD1 1 
ATOM   1846 O OD2 . ASP   A 1 245 ? 14.909  10.653  -19.452 1.000 44.311  0  490 ASP   A OD2 1 
ATOM   1847 N N   . GLY   A 1 246 ? 13.361  8.646   -15.917 1.000 24.467  0  491 GLY   A N   1 
ATOM   1848 C CA  . GLY   A 1 246 ? 13.912  9.003   -14.617 1.000 24.315  0  491 GLY   A CA  1 
ATOM   1849 C C   . GLY   A 1 246 ? 13.152  8.406   -13.432 1.000 23.596  0  491 GLY   A C   1 
ATOM   1850 O O   . GLY   A 1 246 ? 13.550  8.639   -12.294 1.000 19.902  0  491 GLY   A O   1 
ATOM   1851 N N   . PHE   A 1 247 ? 12.098  7.612   -13.716 1.000 22.460  0  492 PHE   A N   1 
ATOM   1852 C CA  . PHE   A 1 247 ? 11.225  7.068   -12.683 1.000 21.541  0  492 PHE   A CA  1 
ATOM   1853 C C   . PHE   A 1 247 ? 10.640  5.689   -13.033 1.000 22.948  0  492 PHE   A C   1 
ATOM   1854 O O   . PHE   A 1 247 ? 10.502  5.284   -14.194 1.000 21.510  0  492 PHE   A O   1 
ATOM   1855 C CB  . PHE   A 1 247 ? 10.020  7.978   -12.471 1.000 20.303  0  492 PHE   A CB  1 
ATOM   1856 C CG  . PHE   A 1 247 ? 10.339  9.358   -11.965 1.000 20.016  0  492 PHE   A CG  1 
ATOM   1857 C CD1 . PHE   A 1 247 ? 10.555  9.583   -10.613 1.000 19.258  0  492 PHE   A CD1 1 
ATOM   1858 C CD2 . PHE   A 1 247 ? 10.411  10.432  -12.841 1.000 20.451  0  492 PHE   A CD2 1 
ATOM   1859 C CE1 . PHE   A 1 247 ? 10.846  10.852  -10.132 1.000 19.549  0  492 PHE   A CE1 1 
ATOM   1860 C CE2 . PHE   A 1 247 ? 10.680  11.705  -12.359 1.000 20.831  0  492 PHE   A CE2 1 
ATOM   1861 C CZ  . PHE   A 1 247 ? 10.903  11.913  -11.004 1.000 20.170  0  492 PHE   A CZ  1 
ATOM   1862 N N   . ASP   A 1 248 ? 10.252  4.980   -11.972 1.000 22.761  0  493 ASP   A N   1 
ATOM   1863 C CA  . ASP   A 1 248 ? 9.327   3.870   -12.081 1.000 22.949  0  493 ASP   A CA  1 
ATOM   1864 C C   . ASP   A 1 248 ? 7.900   4.380   -11.868 1.000 21.406  0  493 ASP   A C   1 
ATOM   1865 O O   . ASP   A 1 248 ? 7.610   5.152   -10.943 1.000 22.551  0  493 ASP   A O   1 
ATOM   1866 C CB  . ASP   A 1 248 ? 9.742   2.742   -11.136 1.000 23.819  0  493 ASP   A CB  1 
ATOM   1867 C CG  . ASP   A 1 248 ? 11.210  2.335   -11.284 1.000 26.448  0  493 ASP   A CG  1 
ATOM   1868 O OD1 . ASP   A 1 248 ? 11.690  2.170   -12.448 1.000 26.948  0  493 ASP   A OD1 1 
ATOM   1869 O OD2 . ASP   A 1 248 ? 11.874  2.163   -10.225 1.000 26.906  0  493 ASP   A OD2 1 
ATOM   1870 N N   . VAL   A 1 249 ? 7.025   3.946   -12.774 1.000 19.519  0  494 VAL   A N   1 
ATOM   1871 C CA  . VAL   A 1 249 ? 5.630   4.326   -12.762 1.000 18.494  0  494 VAL   A CA  1 
ATOM   1872 C C   . VAL   A 1 249 ? 4.734   3.094   -12.650 1.000 18.037  0  494 VAL   A C   1 
ATOM   1873 O O   . VAL   A 1 249 ? 4.816   2.170   -13.469 1.000 16.418  0  494 VAL   A O   1 
ATOM   1874 C CB  . VAL   A 1 249 ? 5.306   5.128   -14.022 1.000 18.924  0  494 VAL   A CB  1 
ATOM   1875 C CG1 . VAL   A 1 249 ? 3.877   5.594   -14.002 1.000 19.397  0  494 VAL   A CG1 1 
ATOM   1876 C CG2 . VAL   A 1 249 ? 6.248   6.313   -14.173 1.000 20.560  0  494 VAL   A CG2 1 
ATOM   1877 N N   . GLY   A 1 250 ? 3.862   3.112   -11.623 1.000 18.006  0  495 GLY   A N   1 
ATOM   1878 C CA  . GLY   A 1 250 ? 2.780   2.149   -11.480 1.000 17.195  0  495 GLY   A CA  1 
ATOM   1879 C C   . GLY   A 1 250 ? 1.554   2.676   -12.207 1.000 17.373  0  495 GLY   A C   1 
ATOM   1880 O O   . GLY   A 1 250 ? 1.141   3.790   -11.948 1.000 19.239  0  495 GLY   A O   1 
ATOM   1881 N N   . ALA   A 1 251 ? 1.035   1.929   -13.176 1.000 17.083  0  496 ALA   A N   1 
ATOM   1882 C CA  . ALA   A 1 251 ? -0.110  2.399   -13.921 1.000 17.235  0  496 ALA   A CA  1 
ATOM   1883 C C   . ALA   A 1 251 ? -0.981  1.215   -14.332 1.000 17.146  0  496 ALA   A C   1 
ATOM   1884 O O   . ALA   A 1 251 ? -0.582  0.070   -14.250 1.000 16.840  0  496 ALA   A O   1 
ATOM   1885 C CB  . ALA   A 1 251 ? 0.347   3.206   -15.107 1.000 17.648  0  496 ALA   A CB  1 
ATOM   1886 N N   . LYS   A 1 252 ? -2.219  1.506   -14.696 1.000 18.015  0  497 LYS   A N   1 
ATOM   1887 C CA  . LYS   A 1 252 ? -3.108  0.510   -15.250 1.000 18.823  0  497 LYS   A CA  1 
ATOM   1888 C C   . LYS   A 1 252 ? -3.828  1.192   -16.393 1.000 19.405  0  497 LYS   A C   1 
ATOM   1889 O O   . LYS   A 1 252 ? -4.312  2.296   -16.214 1.000 19.511  0  497 LYS   A O   1 
ATOM   1890 C CB  . LYS   A 1 252 ? -4.097  -0.014  -14.203 1.000 18.921  0  497 LYS   A CB  1 
ATOM   1891 C CG  . LYS   A 1 252 ? -4.865  -1.269  -14.598 1.000 19.000  0  497 LYS   A CG  1 
ATOM   1892 C CD  . LYS   A 1 252 ? -3.997  -2.509  -14.877 1.000 19.658  0  497 LYS   A CD  1 
ATOM   1893 C CE  . LYS   A 1 252 ? -4.707  -3.586  -15.672 1.000 20.645  0  497 LYS   A CE  1 
ATOM   1894 N NZ  . LYS   A 1 252 ? -5.042  -3.110  -17.046 1.000 23.181  0  497 LYS   A NZ  1 
ATOM   1895 N N   . THR   A 1 253 ? -3.810  0.551   -17.564 1.000 22.411  0  498 THR   A N   1 
ATOM   1896 C CA  . THR   A 1 253 ? -4.635  0.948   -18.698 1.000 23.944  0  498 THR   A CA  1 
ATOM   1897 C C   . THR   A 1 253 ? -6.078  0.450   -18.555 1.000 24.585  0  498 THR   A C   1 
ATOM   1898 O O   . THR   A 1 253 ? -6.333  -0.586  -17.933 1.000 30.704  0  498 THR   A O   1 
ATOM   1899 C CB  . THR   A 1 253 ? -4.062  0.359   -19.992 1.000 24.547  0  498 THR   A CB  1 
ATOM   1900 O OG1 . THR   A 1 253 ? -3.691  -0.974  -19.624 1.000 23.992  0  498 THR   A OG1 1 
ATOM   1901 C CG2 . THR   A 1 253 ? -2.922  1.170   -20.587 1.000 23.832  0  498 THR   A CG2 1 
ATOM   1902 N N   . GLY   A 1 254 ? -7.012  1.136   -19.226 1.000 24.179  0  499 GLY   A N   1 
ATOM   1903 C CA  . GLY   A 1 254 ? -8.339  0.592   -19.450 1.000 24.862  0  499 GLY   A CA  1 
ATOM   1904 C C   . GLY   A 1 254 ? -8.953  1.035   -20.776 1.000 23.768  0  499 GLY   A C   1 
ATOM   1905 O O   . GLY   A 1 254 ? -9.095  2.230   -21.049 1.000 21.370  0  499 GLY   A O   1 
ATOM   1906 N N   . THR   A 1 255 ? -9.362  0.033   -21.551 1.000 24.933  0  500 THR   A N   1 
ATOM   1907 C CA  . THR   A 1 255 ? -10.081 0.222   -22.802 1.000 28.323  0  500 THR   A CA  1 
ATOM   1908 C C   . THR   A 1 255 ? -11.445 -0.470  -22.664 1.000 30.067  0  500 THR   A C   1 
ATOM   1909 O O   . THR   A 1 255 ? -11.498 -1.694  -22.494 1.000 29.192  0  500 THR   A O   1 
ATOM   1910 C CB  . THR   A 1 255 ? -9.243  -0.292  -23.991 1.000 29.527  0  500 THR   A CB  1 
ATOM   1911 O OG1 . THR   A 1 255 ? -7.921  0.248   -23.940 1.000 24.711  0  500 THR   A OG1 1 
ATOM   1912 C CG2 . THR   A 1 255 ? -9.848  0.065   -25.336 1.000 30.457  0  500 THR   A CG2 1 
ATOM   1913 N N   . ALA   A 1 256 ? -12.535 0.314   -22.674 1.000 29.623  0  501 ALA   A N   1 
ATOM   1914 C CA  . ALA   A 1 256 ? -13.868 -0.230  -22.426 1.000 37.317  0  501 ALA   A CA  1 
ATOM   1915 C C   . ALA   A 1 256 ? -14.798 0.111   -23.595 1.000 40.555  0  501 ALA   A C   1 
ATOM   1916 O O   . ALA   A 1 256 ? -14.763 1.225   -24.112 1.000 39.928  0  501 ALA   A O   1 
ATOM   1917 C CB  . ALA   A 1 256 ? -14.435 0.285   -21.112 1.000 35.351  0  501 ALA   A CB  1 
ATOM   1918 N N   . ARG   A 1 257 ? -15.611 -0.862  -24.029 1.000 41.764  0  502 ARG   A N   1 
ATOM   1919 C CA  . ARG   A 1 257 ? -16.768 -0.568  -24.863 1.000 44.043  0  502 ARG   A CA  1 
ATOM   1920 C C   . ARG   A 1 257 ? -17.775 0.232   -24.033 1.000 43.095  0  502 ARG   A C   1 
ATOM   1921 O O   . ARG   A 1 257 ? -17.872 0.029   -22.813 1.000 37.987  0  502 ARG   A O   1 
ATOM   1922 C CB  . ARG   A 1 257 ? -17.434 -1.852  -25.375 1.000 47.941  0  502 ARG   A CB  1 
ATOM   1923 C CG  . ARG   A 1 257 ? -16.577 -2.712  -26.293 1.000 49.512  0  502 ARG   A CG  1 
ATOM   1924 C CD  . ARG   A 1 257 ? -17.332 -3.982  -26.658 1.000 55.388  0  502 ARG   A CD  1 
ATOM   1925 N NE  . ARG   A 1 257 ? -16.477 -5.011  -27.243 1.000 59.982  0  502 ARG   A NE  1 
ATOM   1926 C CZ  . ARG   A 1 257 ? -16.196 -6.186  -26.679 1.000 63.092  0  502 ARG   A CZ  1 
ATOM   1927 N NH1 . ARG   A 1 257 ? -15.277 -6.963  -27.219 1.000 69.146  0  502 ARG   A NH1 1 
ATOM   1928 N NH2 . ARG   A 1 257 ? -16.785 -6.567  -25.556 1.000 61.733  0  502 ARG   A NH2 1 
ATOM   1929 N N   . LYS   A 1 258 ? -18.540 1.102   -24.723 1.000 46.910  0  503 LYS   A N   1 
ATOM   1930 C CA  . LYS   A 1 258 ? -19.444 2.058   -24.088 1.000 47.486  0  503 LYS   A CA  1 
ATOM   1931 C C   . LYS   A 1 258 ? -20.814 1.448   -23.796 1.000 45.502  0  503 LYS   A C   1 
ATOM   1932 O O   . LYS   A 1 258 ? -21.471 0.973   -24.722 1.000 41.113  0  503 LYS   A O   1 
ATOM   1933 C CB  . LYS   A 1 258 ? -19.635 3.322   -24.938 1.000 49.395  0  503 LYS   A CB  1 
ATOM   1934 C CG  . LYS   A 1 258 ? -18.780 4.514   -24.517 1.000 48.614  0  503 LYS   A CG  1 
ATOM   1935 C CD  . LYS   A 1 258 ? -19.277 5.854   -25.015 1.000 46.945  0  503 LYS   A CD  1 
ATOM   1936 C CE  . LYS   A 1 258 ? -20.149 6.620   -24.041 1.000 45.321  0  503 LYS   A CE  1 
ATOM   1937 N NZ  . LYS   A 1 258 ? -20.049 8.091   -24.258 1.000 43.669  0  503 LYS   A NZ  1 
ATOM   1938 N N   . LEU   A 1 259 ? -21.197 1.499   -22.497 1.000 48.360  0  504 LEU   A N   1 
ATOM   1939 C CA  . LEU   A 1 259 ? -22.564 1.345   -22.015 1.000 53.446  0  504 LEU   A CA  1 
ATOM   1940 C C   . LEU   A 1 259 ? -23.349 2.631   -22.270 1.000 63.543  0  504 LEU   A C   1 
ATOM   1941 O O   . LEU   A 1 259 ? -23.055 3.663   -21.657 1.000 61.278  0  504 LEU   A O   1 
ATOM   1942 C CB  . LEU   A 1 259 ? -22.554 1.022   -20.515 1.000 49.512  0  504 LEU   A CB  1 
ATOM   1943 C CG  . LEU   A 1 259 ? -23.885 0.517   -19.946 1.000 48.473  0  504 LEU   A CG  1 
ATOM   1944 C CD1 . LEU   A 1 259 ? -24.274 -0.831  -20.558 1.000 47.315  0  504 LEU   A CD1 1 
ATOM   1945 C CD2 . LEU   A 1 259 ? -23.835 0.411   -18.431 1.000 45.161  0  504 LEU   A CD2 1 
ATOM   1946 N N   . VAL   A 1 260 ? -24.345 2.540   -23.173 1.000 74.279  0  505 VAL   A N   1 
ATOM   1947 C CA  . VAL   A 1 260 ? -25.221 3.651   -23.535 1.000 85.762  0  505 VAL   A CA  1 
ATOM   1948 C C   . VAL   A 1 260 ? -26.649 3.338   -23.049 1.000 96.919  0  505 VAL   A C   1 
ATOM   1949 O O   . VAL   A 1 260 ? -27.473 2.830   -23.817 1.000 92.922  0  505 VAL   A O   1 
ATOM   1950 C CB  . VAL   A 1 260 ? -25.141 3.926   -25.056 1.000 82.859  0  505 VAL   A CB  1 
ATOM   1951 C CG1 . VAL   A 1 260 ? -26.100 5.026   -25.509 1.000 82.358  0  505 VAL   A CG1 1 
ATOM   1952 C CG2 . VAL   A 1 260 ? -23.717 4.242   -25.498 1.000 72.230  0  505 VAL   A CG2 1 
ATOM   1953 N N   . ASN   A 1 261 ? -26.913 3.665   -21.761 1.000 103.851 0  506 ASN   A N   1 
ATOM   1954 C CA  . ASN   A 1 261 ? -28.112 3.332   -20.984 1.000 97.609  0  506 ASN   A CA  1 
ATOM   1955 C C   . ASN   A 1 261 ? -28.703 1.978   -21.402 1.000 94.762  0  506 ASN   A C   1 
ATOM   1956 O O   . ASN   A 1 261 ? -29.721 1.931   -22.086 1.000 95.673  0  506 ASN   A O   1 
ATOM   1957 C CB  . ASN   A 1 261 ? -29.133 4.498   -20.929 1.000 97.395  0  506 ASN   A CB  1 
ATOM   1958 C CG  . ASN   A 1 261 ? -29.436 5.251   -22.223 1.000 87.944  0  506 ASN   A CG  1 
ATOM   1959 O OD1 . ASN   A 1 261 ? -29.406 4.693   -23.319 1.000 74.256  0  506 ASN   A OD1 1 
ATOM   1960 N ND2 . ASN   A 1 261 ? -29.788 6.527   -22.107 1.000 67.655  0  506 ASN   A ND2 1 
ATOM   1961 N N   . GLY   A 1 262 ? -28.073 0.869   -20.975 1.000 88.828  0  507 GLY   A N   1 
ATOM   1962 C CA  . GLY   A 1 262 ? -28.575 -0.471  -21.279 1.000 82.159  0  507 GLY   A CA  1 
ATOM   1963 C C   . GLY   A 1 262 ? -27.624 -1.335  -22.119 1.000 76.682  0  507 GLY   A C   1 
ATOM   1964 O O   . GLY   A 1 262 ? -27.136 -2.352  -21.630 1.000 60.449  0  507 GLY   A O   1 
ATOM   1965 N N   . ARG   A 1 263 ? -27.386 -0.951  -23.389 1.000 78.456  0  508 ARG   A N   1 
ATOM   1966 C CA  . ARG   A 1 263 ? -26.726 -1.813  -24.371 1.000 80.639  0  508 ARG   A CA  1 
ATOM   1967 C C   . ARG   A 1 263 ? -25.241 -1.465  -24.502 1.000 73.222  0  508 ARG   A C   1 
ATOM   1968 O O   . ARG   A 1 263 ? -24.876 -0.293  -24.433 1.000 77.907  0  508 ARG   A O   1 
ATOM   1969 C CB  . ARG   A 1 263 ? -27.394 -1.674  -25.746 1.000 84.933  0  508 ARG   A CB  1 
ATOM   1970 C CG  . ARG   A 1 263 ? -28.907 -1.848  -25.728 1.000 89.025  0  508 ARG   A CG  1 
ATOM   1971 C CD  . ARG   A 1 263 ? -29.569 -1.426  -27.025 1.000 89.105  0  508 ARG   A CD  1 
ATOM   1972 N NE  . ARG   A 1 263 ? -31.012 -1.491  -26.845 1.000 93.989  0  508 ARG   A NE  1 
ATOM   1973 C CZ  . ARG   A 1 263 ? -31.749 -2.579  -27.050 1.000 92.580  0  508 ARG   A CZ  1 
ATOM   1974 N NH1 . ARG   A 1 263 ? -31.175 -3.691  -27.474 1.000 95.266  0  508 ARG   A NH1 1 
ATOM   1975 N NH2 . ARG   A 1 263 ? -33.052 -2.557  -26.823 1.000 80.052  0  508 ARG   A NH2 1 
ATOM   1976 N N   . TYR   A 1 264 ? -24.391 -2.483  -24.710 1.000 62.573  0  509 TYR   A N   1 
ATOM   1977 C CA  . TYR   A 1 264 ? -23.002 -2.272  -25.102 1.000 63.178  0  509 TYR   A CA  1 
ATOM   1978 C C   . TYR   A 1 264 ? -22.913 -2.146  -26.621 1.000 69.026  0  509 TYR   A C   1 
ATOM   1979 O O   . TYR   A 1 264 ? -23.333 -3.041  -27.356 1.000 73.119  0  509 TYR   A O   1 
ATOM   1980 C CB  . TYR   A 1 264 ? -22.087 -3.392  -24.588 1.000 58.349  0  509 TYR   A CB  1 
ATOM   1981 C CG  . TYR   A 1 264 ? -21.835 -3.318  -23.100 1.000 58.559  0  509 TYR   A CG  1 
ATOM   1982 C CD1 . TYR   A 1 264 ? -20.977 -2.362  -22.563 1.000 54.377  0  509 TYR   A CD1 1 
ATOM   1983 C CD2 . TYR   A 1 264 ? -22.527 -4.130  -22.210 1.000 54.604  0  509 TYR   A CD2 1 
ATOM   1984 C CE1 . TYR   A 1 264 ? -20.777 -2.248  -21.194 1.000 48.754  0  509 TYR   A CE1 1 
ATOM   1985 C CE2 . TYR   A 1 264 ? -22.338 -4.024  -20.839 1.000 52.170  0  509 TYR   A CE2 1 
ATOM   1986 C CZ  . TYR   A 1 264 ? -21.456 -3.087  -20.330 1.000 45.763  0  509 TYR   A CZ  1 
ATOM   1987 O OH  . TYR   A 1 264 ? -21.284 -2.988  -18.985 1.000 43.387  0  509 TYR   A OH  1 
ATOM   1988 N N   . VAL   A 1 265 ? -22.360 -1.020  -27.079 1.000 70.873  0  510 VAL   A N   1 
ATOM   1989 C CA  . VAL   A 1 265 ? -22.058 -0.846  -28.489 1.000 75.826  0  510 VAL   A CA  1 
ATOM   1990 C C   . VAL   A 1 265 ? -20.538 -0.882  -28.652 1.000 76.495  0  510 VAL   A C   1 
ATOM   1991 O O   . VAL   A 1 265 ? -19.812 -0.250  -27.882 1.000 68.448  0  510 VAL   A O   1 
ATOM   1992 C CB  . VAL   A 1 265 ? -22.714 0.433   -29.052 1.000 75.528  0  510 VAL   A CB  1 
ATOM   1993 C CG1 . VAL   A 1 265 ? -21.999 1.707   -28.637 1.000 71.971  0  510 VAL   A CG1 1 
ATOM   1994 C CG2 . VAL   A 1 265 ? -22.856 0.365   -30.562 1.000 75.870  0  510 VAL   A CG2 1 
ATOM   1995 N N   . ASP   A 1 266 ? -20.080 -1.630  -29.669 1.000 81.764  0  511 ASP   A N   1 
ATOM   1996 C CA  . ASP   A 1 266 ? -18.715 -2.145  -29.717 1.000 90.928  0  511 ASP   A CA  1 
ATOM   1997 C C   . ASP   A 1 266 ? -17.798 -1.342  -30.655 1.000 89.136  0  511 ASP   A C   1 
ATOM   1998 O O   . ASP   A 1 266 ? -16.595 -1.609  -30.701 1.000 90.619  0  511 ASP   A O   1 
ATOM   1999 C CB  . ASP   A 1 266 ? -18.692 -3.654  -30.034 1.000 97.291  0  511 ASP   A CB  1 
ATOM   2000 C CG  . ASP   A 1 266 ? -19.394 -4.129  -31.305 1.000 96.644  0  511 ASP   A CG  1 
ATOM   2001 O OD1 . ASP   A 1 266 ? -19.011 -3.682  -32.412 1.000 93.967  0  511 ASP   A OD1 1 
ATOM   2002 O OD2 . ASP   A 1 266 ? -20.291 -4.993  -31.188 1.000 89.108  0  511 ASP   A OD2 1 
ATOM   2003 N N   . TYR   A 1 267 ? -18.333 -0.356  -31.395 1.000 80.254  0  512 TYR   A N   1 
ATOM   2004 C CA  . TYR   A 1 267 ? -17.491 0.540   -32.184 1.000 72.857  0  512 TYR   A CA  1 
ATOM   2005 C C   . TYR   A 1 267 ? -17.249 1.836   -31.402 1.000 65.114  0  512 TYR   A C   1 
ATOM   2006 O O   . TYR   A 1 267 ? -16.658 2.761   -31.955 1.000 57.801  0  512 TYR   A O   1 
ATOM   2007 C CB  . TYR   A 1 267 ? -18.110 0.809   -33.563 1.000 69.755  0  512 TYR   A CB  1 
ATOM   2008 C CG  . TYR   A 1 267 ? -19.496 1.400   -33.490 1.000 69.435  0  512 TYR   A CG  1 
ATOM   2009 C CD1 . TYR   A 1 267 ? -20.616 0.582   -33.536 1.000 69.388  0  512 TYR   A CD1 1 
ATOM   2010 C CD2 . TYR   A 1 267 ? -19.692 2.767   -33.352 1.000 62.514  0  512 TYR   A CD2 1 
ATOM   2011 C CE1 . TYR   A 1 267 ? -21.897 1.105   -33.450 1.000 70.240  0  512 TYR   A CE1 1 
ATOM   2012 C CE2 . TYR   A 1 267 ? -20.966 3.307   -33.253 1.000 68.551  0  512 TYR   A CE2 1 
ATOM   2013 C CZ  . TYR   A 1 267 ? -22.074 2.473   -33.303 1.000 71.585  0  512 TYR   A CZ  1 
ATOM   2014 O OH  . TYR   A 1 267 ? -23.352 2.981   -33.213 1.000 65.730  0  512 TYR   A OH  1 
ATOM   2015 N N   . LYS   A 1 268 ? -17.726 1.891   -30.139 1.000 56.047  0  513 LYS   A N   1 
ATOM   2016 C CA  . LYS   A 1 268 ? -17.533 3.024   -29.241 1.000 51.624  0  513 LYS   A CA  1 
ATOM   2017 C C   . LYS   A 1 268 ? -16.821 2.592   -27.959 1.000 45.922  0  513 LYS   A C   1 
ATOM   2018 O O   . LYS   A 1 268 ? -17.221 1.611   -27.327 1.000 38.633  0  513 LYS   A O   1 
ATOM   2019 C CB  . LYS   A 1 268 ? -18.871 3.646   -28.845 1.000 51.835  0  513 LYS   A CB  1 
ATOM   2020 C CG  . LYS   A 1 268 ? -19.620 4.332   -29.974 1.000 53.318  0  513 LYS   A CG  1 
ATOM   2021 C CD  . LYS   A 1 268 ? -20.855 5.081   -29.513 1.000 54.569  0  513 LYS   A CD  1 
ATOM   2022 C CE  . LYS   A 1 268 ? -21.335 6.065   -30.558 1.000 59.097  0  513 LYS   A CE  1 
ATOM   2023 N NZ  . LYS   A 1 268 ? -22.633 6.654   -30.173 1.000 60.808  0  513 LYS   A NZ  1 
ATOM   2024 N N   . HIS   A 1 269 ? -15.822 3.400   -27.563 1.000 40.570  0  514 HIS   A N   1 
ATOM   2025 C CA  . HIS   A 1 269 ? -14.911 3.091   -26.470 1.000 40.596  0  514 HIS   A CA  1 
ATOM   2026 C C   . HIS   A 1 269 ? -14.706 4.291   -25.529 1.000 36.179  0  514 HIS   A C   1 
ATOM   2027 O O   . HIS   A 1 269 ? -15.088 5.410   -25.830 1.000 31.762  0  514 HIS   A O   1 
ATOM   2028 C CB  . HIS   A 1 269 ? -13.593 2.547   -27.043 1.000 42.745  0  514 HIS   A CB  1 
ATOM   2029 C CG  . HIS   A 1 269 ? -13.766 1.328   -27.908 1.000 47.118  0  514 HIS   A CG  1 
ATOM   2030 N ND1 . HIS   A 1 269 ? -14.073 1.392   -29.259 1.000 52.038  0  514 HIS   A ND1 1 
ATOM   2031 C CD2 . HIS   A 1 269 ? -13.659 0.011   -27.609 1.000 43.167  0  514 HIS   A CD2 1 
ATOM   2032 C CE1 . HIS   A 1 269 ? -14.155 0.159   -29.753 1.000 47.244  0  514 HIS   A CE1 1 
ATOM   2033 N NE2 . HIS   A 1 269 ? -13.925 -0.695  -28.764 1.000 48.781  0  514 HIS   A NE2 1 
ATOM   2034 N N   . VAL   A 1 270 ? -14.139 4.020   -24.341 1.000 38.247  0  515 VAL   A N   1 
ATOM   2035 C CA  . VAL   A 1 270 ? -13.719 5.007   -23.346 1.000 33.041  0  515 VAL   A CA  1 
ATOM   2036 C C   . VAL   A 1 270 ? -12.303 4.620   -22.926 1.000 31.113  0  515 VAL   A C   1 
ATOM   2037 O O   . VAL   A 1 270 ? -12.109 3.500   -22.444 1.000 30.949  0  515 VAL   A O   1 
ATOM   2038 C CB  . VAL   A 1 270 ? -14.636 5.055   -22.100 1.000 33.636  0  515 VAL   A CB  1 
ATOM   2039 C CG1 . VAL   A 1 270 ? -14.300 6.240   -21.191 1.000 35.227  0  515 VAL   A CG1 1 
ATOM   2040 C CG2 . VAL   A 1 270 ? -16.114 5.091   -22.443 1.000 33.682  0  515 VAL   A CG2 1 
ATOM   2041 N N   . ALA   A 1 271 ? -11.319 5.507   -23.142 1.000 27.373  0  516 ALA   A N   1 
ATOM   2042 C CA  . ALA   A 1 271 ? -9.942  5.183   -22.789 1.000 27.612  0  516 ALA   A CA  1 
ATOM   2043 C C   . ALA   A 1 271 ? -9.575  5.860   -21.465 1.000 25.892  0  516 ALA   A C   1 
ATOM   2044 O O   . ALA   A 1 271 ? -9.769  7.049   -21.299 1.000 22.036  0  516 ALA   A O   1 
ATOM   2045 C CB  . ALA   A 1 271 ? -8.997  5.580   -23.894 1.000 29.150  0  516 ALA   A CB  1 
ATOM   2046 N N   . THR   A 1 272 ? -9.046  5.081   -20.514 1.000 26.250  0  517 THR   A N   1 
ATOM   2047 C CA  . THR   A 1 272 ? -8.655  5.616   -19.223 1.000 26.493  0  517 THR   A CA  1 
ATOM   2048 C C   . THR   A 1 272 ? -7.238  5.134   -18.922 1.000 22.777  0  517 THR   A C   1 
ATOM   2049 O O   . THR   A 1 272 ? -6.834  4.037   -19.279 1.000 21.028  0  517 THR   A O   1 
ATOM   2050 C CB  . THR   A 1 272 ? -9.728  5.340   -18.142 1.000 27.187  0  517 THR   A CB  1 
ATOM   2051 O OG1 . THR   A 1 272 ? -9.668  4.019   -17.622 1.000 31.951  0  517 THR   A OG1 1 
ATOM   2052 C CG2 . THR   A 1 272 ? -11.143 5.490   -18.658 1.000 27.423  0  517 THR   A CG2 1 
ATOM   2053 N N   . PHE   A 1 273 ? -6.470  5.996   -18.280 1.000 20.147  0  518 PHE   A N   1 
ATOM   2054 C CA  . PHE   A 1 273 ? -5.118  5.660   -17.920 1.000 19.256  0  518 PHE   A CA  1 
ATOM   2055 C C   . PHE   A 1 273 ? -4.876  6.266   -16.550 1.000 17.618  0  518 PHE   A C   1 
ATOM   2056 O O   . PHE   A 1 273 ? -4.988  7.472   -16.363 1.000 17.968  0  518 PHE   A O   1 
ATOM   2057 C CB  . PHE   A 1 273 ? -4.155  6.201   -18.983 1.000 20.282  0  518 PHE   A CB  1 
ATOM   2058 C CG  . PHE   A 1 273 ? -2.798  5.544   -18.955 1.000 19.649  0  518 PHE   A CG  1 
ATOM   2059 C CD1 . PHE   A 1 273 ? -1.946  5.717   -17.882 1.000 19.589  0  518 PHE   A CD1 1 
ATOM   2060 C CD2 . PHE   A 1 273 ? -2.390  4.734   -19.989 1.000 19.475  0  518 PHE   A CD2 1 
ATOM   2061 C CE1 . PHE   A 1 273 ? -0.708  5.101   -17.849 1.000 20.000  0  518 PHE   A CE1 1 
ATOM   2062 C CE2 . PHE   A 1 273 ? -1.162  4.097   -19.942 1.000 20.179  0  518 PHE   A CE2 1 
ATOM   2063 C CZ  . PHE   A 1 273 ? -0.316  4.288   -18.877 1.000 19.041  0  518 PHE   A CZ  1 
ATOM   2064 N N   . ILE   A 1 274 ? -4.513  5.436   -15.592 1.000 15.992  0  519 ILE   A N   1 
ATOM   2065 C CA  . ILE   A 1 274 ? -4.331  5.974   -14.258 1.000 16.040  0  519 ILE   A CA  1 
ATOM   2066 C C   . ILE   A 1 274 ? -3.082  5.377   -13.642 1.000 13.951  0  519 ILE   A C   1 
ATOM   2067 O O   . ILE   A 1 274 ? -2.804  4.213   -13.842 1.000 13.246  0  519 ILE   A O   1 
ATOM   2068 C CB  . ILE   A 1 274 ? -5.593  5.731   -13.413 1.000 16.402  0  519 ILE   A CB  1 
ATOM   2069 C CG1 . ILE   A 1 274 ? -5.342  6.110   -11.968 1.000 16.696  0  519 ILE   A CG1 1 
ATOM   2070 C CG2 . ILE   A 1 274 ? -6.074  4.297   -13.546 1.000 16.875  0  519 ILE   A CG2 1 
ATOM   2071 C CD1 . ILE   A 1 274 ? -6.610  6.164   -11.184 1.000 20.175  0  519 ILE   A CD1 1 
ATOM   2072 N N   . GLY   A 1 275 ? -2.324  6.178   -12.905 1.000 13.903  0  520 GLY   A N   1 
ATOM   2073 C CA  . GLY   A 1 275 ? -1.125  5.657   -12.276 1.000 14.887  0  520 GLY   A CA  1 
ATOM   2074 C C   . GLY   A 1 275 ? -0.470  6.629   -11.303 1.000 15.137  0  520 GLY   A C   1 
ATOM   2075 O O   . GLY   A 1 275 ? -0.976  7.712   -11.075 1.000 16.172  0  520 GLY   A O   1 
ATOM   2076 N N   . PHE   A 1 276 ? 0.675   6.215   -10.754 1.000 15.714  0  521 PHE   A N   1 
ATOM   2077 C CA  . PHE   A 1 276 ? 1.374   6.945   -9.716  1.000 16.214  0  521 PHE   A CA  1 
ATOM   2078 C C   . PHE   A 1 276 ? 2.880   6.747   -9.837  1.000 17.166  0  521 PHE   A C   1 
ATOM   2079 O O   . PHE   A 1 276 ? 3.386   5.840   -10.497 1.000 15.642  0  521 PHE   A O   1 
ATOM   2080 C CB  . PHE   A 1 276 ? 0.950   6.448   -8.337  1.000 16.737  0  521 PHE   A CB  1 
ATOM   2081 C CG  . PHE   A 1 276 ? 0.974   4.947   -8.226  1.000 17.226  0  521 PHE   A CG  1 
ATOM   2082 C CD1 . PHE   A 1 276 ? 2.144   4.270   -7.924  1.000 17.285  0  521 PHE   A CD1 1 
ATOM   2083 C CD2 . PHE   A 1 276 ? -0.171  4.206   -8.454  1.000 17.389  0  521 PHE   A CD2 1 
ATOM   2084 C CE1 . PHE   A 1 276 ? 2.162   2.886   -7.864  1.000 16.908  0  521 PHE   A CE1 1 
ATOM   2085 C CE2 . PHE   A 1 276 ? -0.150  2.821   -8.372  1.000 16.999  0  521 PHE   A CE2 1 
ATOM   2086 C CZ  . PHE   A 1 276 ? 1.011   2.165   -8.097  1.000 16.233  0  521 PHE   A CZ  1 
ATOM   2087 N N   . ALA   A 1 277 ? 3.582   7.620   -9.130  1.000 18.349  0  522 ALA   A N   1 
ATOM   2088 C CA  . ALA   A 1 277 ? 5.019   7.688   -9.209  1.000 18.524  0  522 ALA   A CA  1 
ATOM   2089 C C   . ALA   A 1 277 ? 5.466   8.672   -8.141  1.000 18.401  0  522 ALA   A C   1 
ATOM   2090 O O   . ALA   A 1 277 ? 4.675   9.508   -7.732  1.000 16.233  0  522 ALA   A O   1 
ATOM   2091 C CB  . ALA   A 1 277 ? 5.430   8.107   -10.600 1.000 18.891  0  522 ALA   A CB  1 
ATOM   2092 N N   . PRO   A 1 278 ? 6.724   8.589   -7.656  1.000 20.615  0  523 PRO   A N   1 
ATOM   2093 C CA  . PRO   A 1 278 ? 7.599   7.434   -7.899  1.000 22.604  0  523 PRO   A CA  1 
ATOM   2094 C C   . PRO   A 1 278 ? 6.944   6.171   -7.356  1.000 19.897  0  523 PRO   A C   1 
ATOM   2095 O O   . PRO   A 1 278 ? 6.284   6.229   -6.354  1.000 18.068  0  523 PRO   A O   1 
ATOM   2096 C CB  . PRO   A 1 278 ? 8.932   7.761   -7.170  1.000 22.678  0  523 PRO   A CB  1 
ATOM   2097 C CG  . PRO   A 1 278 ? 8.905   9.269   -7.057  1.000 23.558  0  523 PRO   A CG  1 
ATOM   2098 C CD  . PRO   A 1 278 ? 7.430   9.660   -6.938  1.000 22.635  0  523 PRO   A CD  1 
ATOM   2099 N N   . ALA   A 1 279 ? 7.071   5.059   -8.077  1.000 21.818  0  524 ALA   A N   1 
ATOM   2100 C CA  . ALA   A 1 279 ? 6.301   3.853   -7.806  1.000 21.276  0  524 ALA   A CA  1 
ATOM   2101 C C   . ALA   A 1 279 ? 6.519   3.345   -6.375  1.000 22.076  0  524 ALA   A C   1 
ATOM   2102 O O   . ALA   A 1 279 ? 5.560   2.934   -5.721  1.000 18.692  0  524 ALA   A O   1 
ATOM   2103 C CB  . ALA   A 1 279 ? 6.684   2.809   -8.817  1.000 20.674  0  524 ALA   A CB  1 
ATOM   2104 N N   . LYS   A 1 280 ? 7.781   3.341   -5.909  1.000 23.890  0  525 LYS   A N   1 
ATOM   2105 C CA  . LYS   A 1 280 ? 8.094   2.855   -4.573  1.000 27.390  0  525 LYS   A CA  1 
ATOM   2106 C C   . LYS   A 1 280 ? 7.606   3.829   -3.490  1.000 27.036  0  525 LYS   A C   1 
ATOM   2107 O O   . LYS   A 1 280 ? 7.081   3.376   -2.470  1.000 26.016  0  525 LYS   A O   1 
ATOM   2108 C CB  . LYS   A 1 280 ? 9.589   2.549   -4.403  1.000 32.819  0  525 LYS   A CB  1 
ATOM   2109 C CG  . LYS   A 1 280 ? 10.027  1.140   -4.797  1.000 41.589  0  525 LYS   A CG  1 
ATOM   2110 C CD  . LYS   A 1 280 ? 11.514  0.848   -4.560  1.000 51.788  0  525 LYS   A CD  1 
ATOM   2111 C CE  . LYS   A 1 280 ? 11.980  1.153   -3.142  1.000 60.808  0  525 LYS   A CE  1 
ATOM   2112 N NZ  . LYS   A 1 280 ? 13.436  0.913   -2.962  1.000 61.069  0  525 LYS   A NZ  1 
ATOM   2113 N N   . ASN   A 1 281 ? 7.774   5.154   -3.692  1.000 25.778  0  526 ASN   A N   1 
ATOM   2114 C CA  . ASN   A 1 281 ? 7.409   6.154   -2.699  1.000 23.309  0  526 ASN   A CA  1 
ATOM   2115 C C   . ASN   A 1 281 ? 6.584   7.242   -3.370  1.000 21.906  0  526 ASN   A C   1 
ATOM   2116 O O   . ASN   A 1 281 ? 7.090   8.312   -3.729  1.000 21.908  0  526 ASN   A O   1 
ATOM   2117 C CB  . ASN   A 1 281 ? 8.643   6.752   -2.034  1.000 25.567  0  526 ASN   A CB  1 
ATOM   2118 C CG  . ASN   A 1 281 ? 8.307   7.778   -0.970  1.000 31.184  0  526 ASN   A CG  1 
ATOM   2119 O OD1 . ASN   A 1 281 ? 7.221   7.774   -0.381  1.000 36.456  0  526 ASN   A OD1 1 
ATOM   2120 N ND2 . ASN   A 1 281 ? 9.253   8.659   -0.700  1.000 33.710  0  526 ASN   A ND2 1 
ATOM   2121 N N   . PRO   A 1 282 ? 5.302   6.973   -3.654  1.000 19.857  0  527 PRO   A N   1 
ATOM   2122 C CA  . PRO   A 1 282 ? 4.551   7.839   -4.567  1.000 21.228  0  527 PRO   A CA  1 
ATOM   2123 C C   . PRO   A 1 282 ? 4.137   9.217   -4.042  1.000 21.954  0  527 PRO   A C   1 
ATOM   2124 O O   . PRO   A 1 282 ? 3.804   9.383   -2.870  1.000 21.804  0  527 PRO   A O   1 
ATOM   2125 C CB  . PRO   A 1 282 ? 3.341   6.983   -4.969  1.000 20.982  0  527 PRO   A CB  1 
ATOM   2126 C CG  . PRO   A 1 282 ? 3.220   5.930   -3.876  1.000 20.311  0  527 PRO   A CG  1 
ATOM   2127 C CD  . PRO   A 1 282 ? 4.603   5.741   -3.296  1.000 19.952  0  527 PRO   A CD  1 
ATOM   2128 N N   . ARG   A 1 283 ? 4.158   10.208  -4.949  1.000 21.923  0  528 ARG   A N   1 
ATOM   2129 C CA  . ARG   A 1 283 ? 3.805   11.575  -4.607  1.000 22.454  0  528 ARG   A CA  1 
ATOM   2130 C C   . ARG   A 1 283 ? 2.465   11.951  -5.243  1.000 23.785  0  528 ARG   A C   1 
ATOM   2131 O O   . ARG   A 1 283 ? 1.711   12.746  -4.668  1.000 21.398  0  528 ARG   A O   1 
ATOM   2132 C CB  . ARG   A 1 283 ? 4.911   12.556  -5.029  1.000 23.319  0  528 ARG   A CB  1 
ATOM   2133 C CG  . ARG   A 1 283 ? 6.003   12.824  -3.991  1.000 22.577  0  528 ARG   A CG  1 
ATOM   2134 C CD  . ARG   A 1 283 ? 6.750   11.580  -3.545  1.000 24.044  0  528 ARG   A CD  1 
ATOM   2135 N NE  . ARG   A 1 283 ? 7.935   11.835  -2.711  1.000 27.787  0  528 ARG   A NE  1 
ATOM   2136 C CZ  . ARG   A 1 283 ? 9.127   11.234  -2.848  1.000 26.732  0  528 ARG   A CZ  1 
ATOM   2137 N NH1 . ARG   A 1 283 ? 10.214  11.757  -2.318  1.000 20.344  0  528 ARG   A NH1 1 
ATOM   2138 N NH2 . ARG   A 1 283 ? 9.243   10.141  -3.580  1.000 30.778  0  528 ARG   A NH2 1 
ATOM   2139 N N   . VAL   A 1 284 ? 2.204   11.448  -6.460  1.000 24.822  0  529 VAL   A N   1 
ATOM   2140 C CA  . VAL   A 1 284 ? 1.010   11.864  -7.169  1.000 25.943  0  529 VAL   A CA  1 
ATOM   2141 C C   . VAL   A 1 284 ? 0.359   10.690  -7.876  1.000 22.758  0  529 VAL   A C   1 
ATOM   2142 O O   . VAL   A 1 284 ? 1.026   9.783   -8.328  1.000 21.207  0  529 VAL   A O   1 
ATOM   2143 C CB  . VAL   A 1 284 ? 1.274   13.038  -8.131  1.000 27.974  0  529 VAL   A CB  1 
ATOM   2144 C CG1 . VAL   A 1 284 ? 1.571   14.316  -7.359  1.000 30.764  0  529 VAL   A CG1 1 
ATOM   2145 C CG2 . VAL   A 1 284 ? 2.401   12.755  -9.085  1.000 28.908  0  529 VAL   A CG2 1 
ATOM   2146 N N   . ILE   A 1 285 ? -0.970  10.746  -7.906  1.000 22.044  0  530 ILE   A N   1 
ATOM   2147 C CA  . ILE   A 1 285 ? -1.790  10.011  -8.846  1.000 21.831  0  530 ILE   A CA  1 
ATOM   2148 C C   . ILE   A 1 285 ? -2.193  10.913  -10.014 1.000 19.733  0  530 ILE   A C   1 
ATOM   2149 O O   . ILE   A 1 285 ? -2.664  12.030  -9.820  1.000 19.408  0  530 ILE   A O   1 
ATOM   2150 C CB  . ILE   A 1 285 ? -3.043  9.490   -8.120  1.000 22.270  0  530 ILE   A CB  1 
ATOM   2151 C CG1 . ILE   A 1 285 ? -2.631  8.584   -6.959  1.000 22.933  0  530 ILE   A CG1 1 
ATOM   2152 C CG2 . ILE   A 1 285 ? -3.984  8.808   -9.114  1.000 22.794  0  530 ILE   A CG2 1 
ATOM   2153 C CD1 . ILE   A 1 285 ? -3.582  8.626   -5.800  1.000 23.534  0  530 ILE   A CD1 1 
ATOM   2154 N N   . VAL   A 1 286 ? -2.114  10.366  -11.216 1.000 17.275  0  531 VAL   A N   1 
ATOM   2155 C CA  . VAL   A 1 286 ? -2.684  10.988  -12.397 1.000 17.396  0  531 VAL   A CA  1 
ATOM   2156 C C   . VAL   A 1 286 ? -3.719  10.046  -13.013 1.000 16.400  0  531 VAL   A C   1 
ATOM   2157 O O   . VAL   A 1 286 ? -3.414  8.911   -13.336 1.000 15.156  0  531 VAL   A O   1 
ATOM   2158 C CB  . VAL   A 1 286 ? -1.570  11.319  -13.413 1.000 18.042  0  531 VAL   A CB  1 
ATOM   2159 C CG1 . VAL   A 1 286 ? -2.145  11.772  -14.729 1.000 17.092  0  531 VAL   A CG1 1 
ATOM   2160 C CG2 . VAL   A 1 286 ? -0.554  12.331  -12.867 1.000 18.848  0  531 VAL   A CG2 1 
ATOM   2161 N N   . ALA   A 1 287 ? -4.954  10.521  -13.174 1.000 16.999  0  532 ALA   A N   1 
ATOM   2162 C CA  . ALA   A 1 287 ? -6.005  9.767   -13.833 1.000 16.911  0  532 ALA   A CA  1 
ATOM   2163 C C   . ALA   A 1 287 ? -6.427  10.550  -15.064 1.000 17.045  0  532 ALA   A C   1 
ATOM   2164 O O   . ALA   A 1 287 ? -6.680  11.744  -14.978 1.000 15.870  0  532 ALA   A O   1 
ATOM   2165 C CB  . ALA   A 1 287 ? -7.185  9.536   -12.903 1.000 16.378  0  532 ALA   A CB  1 
ATOM   2166 N N   . VAL   A 1 288 ? -6.493  9.865   -16.202 1.000 17.911  0  533 VAL   A N   1 
ATOM   2167 C CA  . VAL   A 1 288 ? -6.922  10.505  -17.431 1.000 18.889  0  533 VAL   A CA  1 
ATOM   2168 C C   . VAL   A 1 288 ? -8.032  9.658   -18.027 1.000 20.024  0  533 VAL   A C   1 
ATOM   2169 O O   . VAL   A 1 288 ? -7.945  8.449   -18.066 1.000 20.462  0  533 VAL   A O   1 
ATOM   2170 C CB  . VAL   A 1 288 ? -5.799  10.666  -18.465 1.000 18.558  0  533 VAL   A CB  1 
ATOM   2171 C CG1 . VAL   A 1 288 ? -6.315  11.474  -19.636 1.000 19.578  0  533 VAL   A CG1 1 
ATOM   2172 C CG2 . VAL   A 1 288 ? -4.520  11.262  -17.900 1.000 19.272  0  533 VAL   A CG2 1 
ATOM   2173 N N   . THR   A 1 289 ? -9.086  10.299  -18.489 1.000 23.714  0  534 THR   A N   1 
ATOM   2174 C CA  . THR   A 1 289 ? -10.104 9.567   -19.212 1.000 25.971  0  534 THR   A CA  1 
ATOM   2175 C C   . THR   A 1 289 ? -10.442 10.349  -20.473 1.000 25.087  0  534 THR   A C   1 
ATOM   2176 O O   . THR   A 1 289 ? -10.608 11.558  -20.410 1.000 21.412  0  534 THR   A O   1 
ATOM   2177 C CB  . THR   A 1 289 ? -11.317 9.304   -18.323 1.000 25.943  0  534 THR   A CB  1 
ATOM   2178 O OG1 . THR   A 1 289 ? -12.111 8.325   -18.975 1.000 27.876  0  534 THR   A OG1 1 
ATOM   2179 C CG2 . THR   A 1 289 ? -12.150 10.536  -18.107 1.000 27.689  0  534 THR   A CG2 1 
ATOM   2180 N N   . ILE   A 1 290 ? -10.492 9.640   -21.602 1.000 25.306  0  535 ILE   A N   1 
ATOM   2181 C CA  . ILE   A 1 290 ? -10.937 10.224  -22.850 1.000 28.793  0  535 ILE   A CA  1 
ATOM   2182 C C   . ILE   A 1 290 ? -12.118 9.437   -23.420 1.000 29.821  0  535 ILE   A C   1 
ATOM   2183 O O   . ILE   A 1 290 ? -12.035 8.230   -23.605 1.000 30.537  0  535 ILE   A O   1 
ATOM   2184 C CB  . ILE   A 1 290 ? -9.742  10.323  -23.810 1.000 30.288  0  535 ILE   A CB  1 
ATOM   2185 C CG1 . ILE   A 1 290 ? -8.781  11.390  -23.273 1.000 30.126  0  535 ILE   A CG1 1 
ATOM   2186 C CG2 . ILE   A 1 290 ? -10.212 10.566  -25.250 1.000 30.361  0  535 ILE   A CG2 1 
ATOM   2187 C CD1 . ILE   A 1 290 ? -7.750  11.888  -24.245 1.000 30.669  0  535 ILE   A CD1 1 
ATOM   2188 N N   . ASP   A 1 291 ? -13.198 10.160  -23.733 1.000 30.909  0  536 ASP   A N   1 
ATOM   2189 C CA  . ASP   A 1 291 ? -14.472 9.573   -24.109 1.000 32.801  0  536 ASP   A CA  1 
ATOM   2190 C C   . ASP   A 1 291 ? -14.579 9.589   -25.629 1.000 30.460  0  536 ASP   A C   1 
ATOM   2191 O O   . ASP   A 1 291 ? -14.465 10.653  -26.218 1.000 28.576  0  536 ASP   A O   1 
ATOM   2192 C CB  . ASP   A 1 291 ? -15.592 10.370  -23.424 1.000 37.328  0  536 ASP   A CB  1 
ATOM   2193 C CG  . ASP   A 1 291 ? -16.997 9.808   -23.556 1.000 42.732  0  536 ASP   A CG  1 
ATOM   2194 O OD1 . ASP   A 1 291 ? -17.948 10.562  -23.256 1.000 49.655  0  536 ASP   A OD1 1 
ATOM   2195 O OD2 . ASP   A 1 291 ? -17.135 8.622   -23.938 1.000 50.084  0  536 ASP   A OD2 1 
ATOM   2196 N N   . GLU   A 1 292 ? -14.784 8.410   -26.238 1.000 35.298  0  537 GLU   A N   1 
ATOM   2197 C CA  . GLU   A 1 292 ? -15.102 8.231   -27.661 1.000 40.201  0  537 GLU   A CA  1 
ATOM   2198 C C   . GLU   A 1 292 ? -14.104 8.932   -28.585 1.000 38.000  0  537 GLU   A C   1 
ATOM   2199 O O   . GLU   A 1 292 ? -14.453 9.884   -29.277 1.000 30.967  0  537 GLU   A O   1 
ATOM   2200 C CB  . GLU   A 1 292 ? -16.502 8.737   -28.036 1.000 41.837  0  537 GLU   A CB  1 
ATOM   2201 C CG  . GLU   A 1 292 ? -17.612 7.705   -27.892 1.000 40.772  0  537 GLU   A CG  1 
ATOM   2202 C CD  . GLU   A 1 292 ? -18.965 8.328   -28.185 1.000 43.516  0  537 GLU   A CD  1 
ATOM   2203 O OE1 . GLU   A 1 292 ? -19.112 8.888   -29.277 1.000 45.627  0  537 GLU   A OE1 1 
ATOM   2204 O OE2 . GLU   A 1 292 ? -19.835 8.325   -27.293 1.000 45.306  0  537 GLU   A OE2 1 
ATOM   2205 N N   . PRO   A 1 293 ? -12.847 8.451   -28.654 1.000 39.231  0  538 PRO   A N   1 
ATOM   2206 C CA  . PRO   A 1 293 ? -11.917 8.876   -29.698 1.000 42.856  0  538 PRO   A CA  1 
ATOM   2207 C C   . PRO   A 1 293 ? -12.292 8.256   -31.039 1.000 44.118  0  538 PRO   A C   1 
ATOM   2208 O O   . PRO   A 1 293 ? -12.519 7.056   -31.108 1.000 42.383  0  538 PRO   A O   1 
ATOM   2209 C CB  . PRO   A 1 293 ? -10.569 8.346   -29.195 1.000 39.727  0  538 PRO   A CB  1 
ATOM   2210 C CG  . PRO   A 1 293 ? -10.974 7.088   -28.445 1.000 40.754  0  538 PRO   A CG  1 
ATOM   2211 C CD  . PRO   A 1 293 ? -12.257 7.470   -27.731 1.000 39.933  0  538 PRO   A CD  1 
ATOM   2212 N N   . THR   A 1 294 ? -12.322 9.077   -32.094 1.000 50.952  0  539 THR   A N   1 
ATOM   2213 C CA  . THR   A 1 294 ? -12.673 8.617   -33.432 1.000 56.628  0  539 THR   A CA  1 
ATOM   2214 C C   . THR   A 1 294 ? -11.414 8.389   -34.281 1.000 52.746  0  539 THR   A C   1 
ATOM   2215 O O   . THR   A 1 294 ? -11.381 7.444   -35.053 1.000 55.774  0  539 THR   A O   1 
ATOM   2216 C CB  . THR   A 1 294 ? -13.670 9.581   -34.105 1.000 60.464  0  539 THR   A CB  1 
ATOM   2217 O OG1 . THR   A 1 294 ? -13.009 10.826  -34.377 1.000 56.417  0  539 THR   A OG1 1 
ATOM   2218 C CG2 . THR   A 1 294 ? -14.922 9.800   -33.274 1.000 58.784  0  539 THR   A CG2 1 
ATOM   2219 N N   . ALA   A 1 295 ? -10.393 9.248   -34.142 1.000 52.893  0  540 ALA   A N   1 
ATOM   2220 C CA  . ALA   A 1 295 ? -9.224  9.253   -35.011 1.000 54.684  0  540 ALA   A CA  1 
ATOM   2221 C C   . ALA   A 1 295 ? -8.014  8.636   -34.295 1.000 70.165  0  540 ALA   A C   1 
ATOM   2222 O O   . ALA   A 1 295 ? -7.759  8.913   -33.112 1.000 66.205  0  540 ALA   A O   1 
ATOM   2223 C CB  . ALA   A 1 295 ? -8.948  10.673  -35.449 1.000 51.625  0  540 ALA   A CB  1 
ATOM   2224 N N   . ASN   A 1 296 ? -7.286  7.772   -35.031 1.000 78.367  0  541 ASN   A N   1 
ATOM   2225 C CA  . ASN   A 1 296 ? -5.972  7.261   -34.639 1.000 75.844  0  541 ASN   A CA  1 
ATOM   2226 C C   . ASN   A 1 296 ? -6.074  6.167   -33.557 1.000 78.001  0  541 ASN   A C   1 
ATOM   2227 O O   . ASN   A 1 296 ? -5.229  6.144   -32.654 1.000 73.992  0  541 ASN   A O   1 
ATOM   2228 C CB  . ASN   A 1 296 ? -5.026  8.389   -34.183 1.000 71.023  0  541 ASN   A CB  1 
ATOM   2229 C CG  . ASN   A 1 296 ? -4.739  9.437   -35.242 1.000 64.380  0  541 ASN   A CG  1 
ATOM   2230 O OD1 . ASN   A 1 296 ? -3.911  9.208   -36.119 1.000 59.208  0  541 ASN   A OD1 1 
ATOM   2231 N ND2 . ASN   A 1 296 ? -5.368  10.602  -35.148 1.000 51.384  0  541 ASN   A ND2 1 
ATOM   2232 N N   . GLY   A 1 297 ? -7.063  5.245   -33.671 1.000 68.092  0  542 GLY   A N   1 
ATOM   2233 C CA  . GLY   A 1 297 ? -7.228  4.115   -32.755 1.000 55.416  0  542 GLY   A CA  1 
ATOM   2234 C C   . GLY   A 1 297 ? -7.852  4.512   -31.406 1.000 52.463  0  542 GLY   A C   1 
ATOM   2235 O O   . GLY   A 1 297 ? -8.155  5.688   -31.181 1.000 41.276  0  542 GLY   A O   1 
ATOM   2236 N N   . TYR   A 1 298 ? -8.008  3.526   -30.499 1.000 49.516  0  543 TYR   A N   1 
ATOM   2237 C CA  . TYR   A 1 298 ? -8.879  3.668   -29.334 1.000 49.929  0  543 TYR   A CA  1 
ATOM   2238 C C   . TYR   A 1 298 ? -8.337  3.043   -28.032 1.000 45.996  0  543 TYR   A C   1 
ATOM   2239 O O   . TYR   A 1 298 ? -8.866  3.327   -26.939 1.000 34.054  0  543 TYR   A O   1 
ATOM   2240 C CB  . TYR   A 1 298 ? -10.257 3.102   -29.696 1.000 55.457  0  543 TYR   A CB  1 
ATOM   2241 C CG  . TYR   A 1 298 ? -10.298 1.639   -30.061 1.000 55.742  0  543 TYR   A CG  1 
ATOM   2242 C CD1 . TYR   A 1 298 ? -10.413 0.664   -29.078 1.000 54.842  0  543 TYR   A CD1 1 
ATOM   2243 C CD2 . TYR   A 1 298 ? -10.253 1.227   -31.391 1.000 56.217  0  543 TYR   A CD2 1 
ATOM   2244 C CE1 . TYR   A 1 298 ? -10.474 -0.683  -29.404 1.000 57.001  0  543 TYR   A CE1 1 
ATOM   2245 C CE2 . TYR   A 1 298 ? -10.297 -0.116  -31.733 1.000 55.574  0  543 TYR   A CE2 1 
ATOM   2246 C CZ  . TYR   A 1 298 ? -10.416 -1.073  -30.735 1.000 60.722  0  543 TYR   A CZ  1 
ATOM   2247 O OH  . TYR   A 1 298 ? -10.489 -2.410  -31.041 1.000 58.918  0  543 TYR   A OH  1 
ATOM   2248 N N   . TYR   A 1 299 ? -7.295  2.199   -28.152 1.000 45.036  0  544 TYR   A N   1 
ATOM   2249 C CA  . TYR   A 1 299 ? -6.559  1.637   -27.018 1.000 42.879  0  544 TYR   A CA  1 
ATOM   2250 C C   . TYR   A 1 299 ? -6.088  2.740   -26.061 1.000 36.562  0  544 TYR   A C   1 
ATOM   2251 O O   . TYR   A 1 299 ? -5.584  3.778   -26.498 1.000 36.111  0  544 TYR   A O   1 
ATOM   2252 C CB  . TYR   A 1 299 ? -5.397  0.758   -27.514 1.000 48.066  0  544 TYR   A CB  1 
ATOM   2253 C CG  . TYR   A 1 299 ? -5.770  -0.691  -27.752 1.000 53.548  0  544 TYR   A CG  1 
ATOM   2254 C CD1 . TYR   A 1 299 ? -6.845  -1.026  -28.569 1.000 56.155  0  544 TYR   A CD1 1 
ATOM   2255 C CD2 . TYR   A 1 299 ? -5.084  -1.728  -27.133 1.000 55.756  0  544 TYR   A CD2 1 
ATOM   2256 C CE1 . TYR   A 1 299 ? -7.230  -2.339  -28.771 1.000 54.840  0  544 TYR   A CE1 1 
ATOM   2257 C CE2 . TYR   A 1 299 ? -5.458  -3.051  -27.321 1.000 62.937  0  544 TYR   A CE2 1 
ATOM   2258 C CZ  . TYR   A 1 299 ? -6.535  -3.354  -28.143 1.000 61.764  0  544 TYR   A CZ  1 
ATOM   2259 O OH  . TYR   A 1 299 ? -6.932  -4.648  -28.363 1.000 70.276  0  544 TYR   A OH  1 
ATOM   2260 N N   A SER   A 1 300 ? -6.240  2.510   -24.753 0.290 33.864  0  545 SER   A N   1 
ATOM   2261 N N   B SER   A 1 300 ? -6.349  2.510   -24.763 0.710 31.822  0  545 SER   A N   1 
ATOM   2262 C CA  A SER   A 1 300 ? -5.861  3.509   -23.765 0.290 32.493  0  545 SER   A CA  1 
ATOM   2263 C CA  B SER   A 1 300 ? -5.851  3.322   -23.659 0.710 31.153  0  545 SER   A CA  1 
ATOM   2264 C C   A SER   A 1 300 ? -4.364  3.812   -23.842 0.290 30.803  0  545 SER   A C   1 
ATOM   2265 C C   B SER   A 1 300 ? -4.423  3.785   -23.936 0.710 29.957  0  545 SER   A C   1 
ATOM   2266 O O   A SER   A 1 300 ? -3.966  4.947   -23.593 0.290 31.539  0  545 SER   A O   1 
ATOM   2267 O O   B SER   A 1 300 ? -4.155  4.987   -23.928 0.710 31.184  0  545 SER   A O   1 
ATOM   2268 C CB  A SER   A 1 300 ? -6.277  3.114   -22.367 0.290 31.988  0  545 SER   A CB  1 
ATOM   2269 C CB  B SER   A 1 300 ? -5.910  2.547   -22.342 0.710 28.574  0  545 SER   A CB  1 
ATOM   2270 O OG  A SER   A 1 300 ? -5.853  1.798   -22.047 0.290 29.770  0  545 SER   A OG  1 
ATOM   2271 O OG  B SER   A 1 300 ? -5.148  3.183   -21.321 0.710 24.571  0  545 SER   A OG  1 
ATOM   2272 N N   . GLY   A 1 301 ? -3.541  2.810   -24.189 1.000 27.773  0  546 GLY   A N   1 
ATOM   2273 C CA  . GLY   A 1 301 ? -2.123  3.037   -24.422 1.000 28.952  0  546 GLY   A CA  1 
ATOM   2274 C C   . GLY   A 1 301 ? -1.821  4.206   -25.373 1.000 30.706  0  546 GLY   A C   1 
ATOM   2275 O O   . GLY   A 1 301 ? -1.090  5.123   -24.995 1.000 28.880  0  546 GLY   A O   1 
ATOM   2276 N N   . VAL   A 1 302 ? -2.419  4.186   -26.578 1.000 29.056  0  547 VAL   A N   1 
ATOM   2277 C CA  . VAL   A 1 302 ? -2.158  5.192   -27.596 1.000 33.043  0  547 VAL   A CA  1 
ATOM   2278 C C   . VAL   A 1 302 ? -2.850  6.516   -27.247 1.000 31.789  0  547 VAL   A C   1 
ATOM   2279 O O   . VAL   A 1 302 ? -2.272  7.582   -27.424 1.000 35.578  0  547 VAL   A O   1 
ATOM   2280 C CB  . VAL   A 1 302 ? -2.590  4.684   -28.988 1.000 37.856  0  547 VAL   A CB  1 
ATOM   2281 C CG1 . VAL   A 1 302 ? -2.551  5.787   -30.045 1.000 40.847  0  547 VAL   A CG1 1 
ATOM   2282 C CG2 . VAL   A 1 302 ? -1.763  3.475   -29.425 1.000 36.171  0  547 VAL   A CG2 1 
ATOM   2283 N N   . VAL   A 1 303 ? -4.089  6.453   -26.755 1.000 30.145  0  548 VAL   A N   1 
ATOM   2284 C CA  . VAL   A 1 303 ? -4.925  7.633   -26.583 1.000 26.934  0  548 VAL   A CA  1 
ATOM   2285 C C   . VAL   A 1 303 ? -4.547  8.371   -25.293 1.000 25.388  0  548 VAL   A C   1 
ATOM   2286 O O   . VAL   A 1 303 ? -4.186  9.544   -25.344 1.000 27.953  0  548 VAL   A O   1 
ATOM   2287 C CB  . VAL   A 1 303 ? -6.417  7.249   -26.609 1.000 27.052  0  548 VAL   A CB  1 
ATOM   2288 C CG1 . VAL   A 1 303 ? -7.318  8.463   -26.552 1.000 26.851  0  548 VAL   A CG1 1 
ATOM   2289 C CG2 . VAL   A 1 303 ? -6.763  6.411   -27.827 1.000 29.405  0  548 VAL   A CG2 1 
ATOM   2290 N N   . THR   A 1 304 ? -4.581  7.683   -24.144 1.000 22.564  0  549 THR   A N   1 
ATOM   2291 C CA  . THR   A 1 304 ? -4.397  8.344   -22.859 1.000 22.039  0  549 THR   A CA  1 
ATOM   2292 C C   . THR   A 1 304 ? -2.970  8.225   -22.317 1.000 22.024  0  549 THR   A C   1 
ATOM   2293 O O   . THR   A 1 304 ? -2.572  9.046   -21.499 1.000 24.644  0  549 THR   A O   1 
ATOM   2294 C CB  . THR   A 1 304 ? -5.402  7.854   -21.811 1.000 21.703  0  549 THR   A CB  1 
ATOM   2295 O OG1 . THR   A 1 304 ? -5.542  6.431   -21.823 1.000 22.266  0  549 THR   A OG1 1 
ATOM   2296 C CG2 . THR   A 1 304 ? -6.759  8.472   -22.022 1.000 22.288  0  549 THR   A CG2 1 
ATOM   2297 N N   . GLY   A 1 305 ? -2.205  7.229   -22.766 1.000 21.471  0  550 GLY   A N   1 
ATOM   2298 C CA  . GLY   A 1 305 ? -0.811  7.083   -22.389 1.000 20.129  0  550 GLY   A CA  1 
ATOM   2299 C C   . GLY   A 1 305 ? -0.017  8.381   -22.504 1.000 20.308  0  550 GLY   A C   1 
ATOM   2300 O O   . GLY   A 1 305 ? 0.587   8.802   -21.522 1.000 22.382  0  550 GLY   A O   1 
ATOM   2301 N N   . PRO   A 1 306 ? 0.077   9.041   -23.685 1.000 20.719  0  551 PRO   A N   1 
ATOM   2302 C CA  . PRO   A 1 306 ? 0.928   10.232  -23.829 1.000 20.068  0  551 PRO   A CA  1 
ATOM   2303 C C   . PRO   A 1 306 ? 0.558   11.372  -22.882 1.000 20.027  0  551 PRO   A C   1 
ATOM   2304 O O   . PRO   A 1 306 ? 1.430   12.036  -22.322 1.000 20.032  0  551 PRO   A O   1 
ATOM   2305 C CB  . PRO   A 1 306 ? 0.769   10.568  -25.324 1.000 19.055  0  551 PRO   A CB  1 
ATOM   2306 C CG  . PRO   A 1 306 ? 0.577   9.188   -25.936 1.000 19.509  0  551 PRO   A CG  1 
ATOM   2307 C CD  . PRO   A 1 306 ? -0.447  8.591   -24.986 1.000 20.850  0  551 PRO   A CD  1 
ATOM   2308 N N   . VAL   A 1 307 ? -0.739  11.538  -22.633 1.000 19.933  0  552 VAL   A N   1 
ATOM   2309 C CA  . VAL   A 1 307 ? -1.174  12.624  -21.784 1.000 20.677  0  552 VAL   A CA  1 
ATOM   2310 C C   . VAL   A 1 307 ? -0.792  12.289  -20.339 1.000 20.994  0  552 VAL   A C   1 
ATOM   2311 O O   . VAL   A 1 307 ? -0.287  13.153  -19.619 1.000 21.467  0  552 VAL   A O   1 
ATOM   2312 C CB  . VAL   A 1 307 ? -2.672  12.968  -21.938 1.000 21.136  0  552 VAL   A CB  1 
ATOM   2313 C CG1 . VAL   A 1 307 ? -3.248  12.601  -23.293 1.000 20.786  0  552 VAL   A CG1 1 
ATOM   2314 C CG2 . VAL   A 1 307 ? -3.515  12.336  -20.875 1.000 23.691  0  552 VAL   A CG2 1 
ATOM   2315 N N   . PHE   A 1 308 ? -0.999  11.039  -19.911 1.000 21.084  0  553 PHE   A N   1 
ATOM   2316 C CA  . PHE   A 1 308 ? -0.529  10.615  -18.598 1.000 20.897  0  553 PHE   A CA  1 
ATOM   2317 C C   . PHE   A 1 308 ? 0.949   10.982  -18.482 1.000 20.482  0  553 PHE   A C   1 
ATOM   2318 O O   . PHE   A 1 308 ? 1.353   11.600  -17.494 1.000 17.324  0  553 PHE   A O   1 
ATOM   2319 C CB  . PHE   A 1 308 ? -0.780  9.122   -18.328 1.000 20.200  0  553 PHE   A CB  1 
ATOM   2320 C CG  . PHE   A 1 308 ? -0.207  8.645   -17.011 1.000 20.546  0  553 PHE   A CG  1 
ATOM   2321 C CD1 . PHE   A 1 308 ? 1.135   8.327   -16.888 1.000 21.385  0  553 PHE   A CD1 1 
ATOM   2322 C CD2 . PHE   A 1 308 ? -0.993  8.551   -15.875 1.000 22.494  0  553 PHE   A CD2 1 
ATOM   2323 C CE1 . PHE   A 1 308 ? 1.674   7.917   -15.675 1.000 22.978  0  553 PHE   A CE1 1 
ATOM   2324 C CE2 . PHE   A 1 308 ? -0.463  8.144   -14.656 1.000 24.064  0  553 PHE   A CE2 1 
ATOM   2325 C CZ  . PHE   A 1 308 ? 0.877   7.823   -14.555 1.000 24.554  0  553 PHE   A CZ  1 
ATOM   2326 N N   . LYS   A 1 309 ? 1.717   10.609  -19.519 1.000 21.160  0  554 LYS   A N   1 
ATOM   2327 C CA  . LYS   A 1 309 ? 3.165   10.709  -19.505 1.000 24.149  0  554 LYS   A CA  1 
ATOM   2328 C C   . LYS   A 1 309 ? 3.580   12.143  -19.207 1.000 24.727  0  554 LYS   A C   1 
ATOM   2329 O O   . LYS   A 1 309 ? 4.428   12.400  -18.343 1.000 25.644  0  554 LYS   A O   1 
ATOM   2330 C CB  . LYS   A 1 309 ? 3.724   10.291  -20.869 1.000 27.745  0  554 LYS   A CB  1 
ATOM   2331 C CG  . LYS   A 1 309 ? 5.199   10.596  -21.103 1.000 31.547  0  554 LYS   A CG  1 
ATOM   2332 C CD  . LYS   A 1 309 ? 5.785   9.909   -22.335 1.000 34.731  0  554 LYS   A CD  1 
ATOM   2333 C CE  . LYS   A 1 309 ? 7.244   10.234  -22.572 1.000 36.409  0  554 LYS   A CE  1 
ATOM   2334 N NZ  . LYS   A 1 309 ? 8.119   9.396   -21.724 1.000 40.461  0  554 LYS   A NZ  1 
ATOM   2335 N N   . GLN   A 1 310 ? 3.008   13.060  -19.992 1.000 22.765  0  555 GLN   A N   1 
ATOM   2336 C CA  . GLN   A 1 310 ? 3.462   14.431  -19.976 1.000 22.024  0  555 GLN   A CA  1 
ATOM   2337 C C   . GLN   A 1 310 ? 3.113   15.026  -18.631 1.000 21.489  0  555 GLN   A C   1 
ATOM   2338 O O   . GLN   A 1 310 ? 3.934   15.718  -18.049 1.000 25.017  0  555 GLN   A O   1 
ATOM   2339 C CB  . GLN   A 1 310 ? 2.868   15.225  -21.137 1.000 21.166  0  555 GLN   A CB  1 
ATOM   2340 C CG  . GLN   A 1 310 ? 3.427   14.799  -22.496 1.000 22.306  0  555 GLN   A CG  1 
ATOM   2341 C CD  . GLN   A 1 310 ? 4.941   14.695  -22.557 1.000 22.600  0  555 GLN   A CD  1 
ATOM   2342 O OE1 . GLN   A 1 310 ? 5.503   13.637  -22.821 1.000 25.471  0  555 GLN   A OE1 1 
ATOM   2343 N NE2 . GLN   A 1 310 ? 5.632   15.777  -22.253 1.000 20.822  0  555 GLN   A NE2 1 
ATOM   2344 N N   . VAL   A 1 311 ? 1.917   14.697  -18.142 1.000 21.085  0  556 VAL   A N   1 
ATOM   2345 C CA  . VAL   A 1 311 ? 1.360   15.341  -16.968 1.000 19.782  0  556 VAL   A CA  1 
ATOM   2346 C C   . VAL   A 1 311 ? 2.100   14.824  -15.734 1.000 20.597  0  556 VAL   A C   1 
ATOM   2347 O O   . VAL   A 1 311 ? 2.444   15.600  -14.842 1.000 18.322  0  556 VAL   A O   1 
ATOM   2348 C CB  . VAL   A 1 311 ? -0.164  15.136  -16.879 1.000 18.259  0  556 VAL   A CB  1 
ATOM   2349 C CG1 . VAL   A 1 311 ? -0.721  15.651  -15.562 1.000 18.483  0  556 VAL   A CG1 1 
ATOM   2350 C CG2 . VAL   A 1 311 ? -0.896  15.780  -18.051 1.000 18.422  0  556 VAL   A CG2 1 
ATOM   2351 N N   . MET   A 1 312 ? 2.342   13.509  -15.692 1.000 21.603  0  557 MET   A N   1 
ATOM   2352 C CA  . MET   A 1 312 ? 3.096   12.923  -14.594 1.000 23.488  0  557 MET   A CA  1 
ATOM   2353 C C   . MET   A 1 312 ? 4.516   13.495  -14.585 1.000 26.326  0  557 MET   A C   1 
ATOM   2354 O O   . MET   A 1 312 ? 4.984   13.954  -13.529 1.000 26.093  0  557 MET   A O   1 
ATOM   2355 C CB  . MET   A 1 312 ? 3.159   11.395  -14.696 1.000 23.041  0  557 MET   A CB  1 
ATOM   2356 C CG  . MET   A 1 312 ? 3.845   10.706  -13.524 1.000 22.193  0  557 MET   A CG  1 
ATOM   2357 S SD  . MET   A 1 312 ? 3.203   11.170  -11.864 1.000 23.820  0  557 MET   A SD  1 
ATOM   2358 C CE  . MET   A 1 312 ? 2.053   9.836   -11.512 1.000 22.426  0  557 MET   A CE  1 
ATOM   2359 N N   . GLY   A 1 313 ? 5.184   13.489  -15.759 1.000 24.935  0  558 GLY   A N   1 
ATOM   2360 C CA  . GLY   A 1 313 ? 6.561   13.954  -15.843 1.000 22.902  0  558 GLY   A CA  1 
ATOM   2361 C C   . GLY   A 1 313 ? 6.649   15.401  -15.375 1.000 22.702  0  558 GLY   A C   1 
ATOM   2362 O O   . GLY   A 1 313 ? 7.489   15.763  -14.544 1.000 22.964  0  558 GLY   A O   1 
ATOM   2363 N N   . GLY   A 1 314 ? 5.735   16.213  -15.911 1.000 20.743  0  559 GLY   A N   1 
ATOM   2364 C CA  . GLY   A 1 314 ? 5.695   17.627  -15.590 1.000 20.083  0  559 GLY   A CA  1 
ATOM   2365 C C   . GLY   A 1 314 ? 5.340   17.883  -14.135 1.000 20.425  0  559 GLY   A C   1 
ATOM   2366 O O   . GLY   A 1 314 ? 5.781   18.884  -13.598 1.000 26.018  0  559 GLY   A O   1 
ATOM   2367 N N   . SER   A 1 315 ? 4.566   16.978  -13.511 1.000 21.284  0  560 SER   A N   1 
ATOM   2368 C CA  . SER   A 1 315 ? 4.059   17.138  -12.153 1.000 19.935  0  560 SER   A CA  1 
ATOM   2369 C C   . SER   A 1 315 ? 5.167   16.901  -11.141 1.000 20.751  0  560 SER   A C   1 
ATOM   2370 O O   . SER   A 1 315 ? 5.252   17.608  -10.152 1.000 21.009  0  560 SER   A O   1 
ATOM   2371 C CB  . SER   A 1 315 ? 2.909   16.209  -11.862 1.000 19.571  0  560 SER   A CB  1 
ATOM   2372 O OG  . SER   A 1 315 ? 1.730   16.577  -12.570 1.000 20.195  0  560 SER   A OG  1 
ATOM   2373 N N   . LEU   A 1 316 ? 5.989   15.883  -11.394 1.000 22.010  0  561 LEU   A N   1 
ATOM   2374 C CA  . LEU   A 1 316 ? 7.125   15.553  -10.547 1.000 23.571  0  561 LEU   A CA  1 
ATOM   2375 C C   . LEU   A 1 316 ? 8.242   16.591  -10.728 1.000 25.845  0  561 LEU   A C   1 
ATOM   2376 O O   . LEU   A 1 316 ? 8.909   16.959  -9.770  1.000 27.600  0  561 LEU   A O   1 
ATOM   2377 C CB  . LEU   A 1 316 ? 7.591   14.135  -10.905 1.000 24.375  0  561 LEU   A CB  1 
ATOM   2378 C CG  . LEU   A 1 316 ? 6.566   13.007  -10.689 1.000 22.798  0  561 LEU   A CG  1 
ATOM   2379 C CD1 . LEU   A 1 316 ? 7.045   11.700  -11.294 1.000 21.562  0  561 LEU   A CD1 1 
ATOM   2380 C CD2 . LEU   A 1 316 ? 6.224   12.814  -9.218  1.000 21.801  0  561 LEU   A CD2 1 
ATOM   2381 N N   . ASN   A 1 317 ? 8.405   17.134  -11.939 1.000 27.193  0  562 ASN   A N   1 
ATOM   2382 C CA  . ASN   A 1 317 ? 9.282   18.272  -12.126 1.000 30.223  0  562 ASN   A CA  1 
ATOM   2383 C C   . ASN   A 1 317 ? 8.820   19.456  -11.257 1.000 32.532  0  562 ASN   A C   1 
ATOM   2384 O O   . ASN   A 1 317 ? 9.562   19.952  -10.408 1.000 33.942  0  562 ASN   A O   1 
ATOM   2385 C CB  . ASN   A 1 317 ? 9.348   18.605  -13.606 1.000 34.928  0  562 ASN   A CB  1 
ATOM   2386 C CG  . ASN   A 1 317 ? 10.230  19.803  -13.844 1.000 40.320  0  562 ASN   A CG  1 
ATOM   2387 O OD1 . ASN   A 1 317 ? 11.430  19.695  -13.660 1.000 47.666  0  562 ASN   A OD1 1 
ATOM   2388 N ND2 . ASN   A 1 317 ? 9.653   20.945  -14.190 1.000 47.031  0  562 ASN   A ND2 1 
ATOM   2389 N N   . ILE   A 1 318 ? 7.556   19.869  -11.409 1.000 29.904  0  563 ILE   A N   1 
ATOM   2390 C CA  . ILE   A 1 318 ? 6.999   20.999  -10.673 1.000 28.667  0  563 ILE   A CA  1 
ATOM   2391 C C   . ILE   A 1 318 ? 7.077   20.840  -9.147  1.000 27.228  0  563 ILE   A C   1 
ATOM   2392 O O   . ILE   A 1 318 ? 7.242   21.822  -8.442  1.000 26.469  0  563 ILE   A O   1 
ATOM   2393 C CB  . ILE   A 1 318 ? 5.552   21.267  -11.143 1.000 27.003  0  563 ILE   A CB  1 
ATOM   2394 C CG1 . ILE   A 1 318 ? 5.551   21.928  -12.524 1.000 28.190  0  563 ILE   A CG1 1 
ATOM   2395 C CG2 . ILE   A 1 318 ? 4.773   22.104  -10.136 1.000 24.657  0  563 ILE   A CG2 1 
ATOM   2396 C CD1 . ILE   A 1 318 ? 4.255   21.780  -13.286 1.000 28.781  0  563 ILE   A CD1 1 
ATOM   2397 N N   . LEU   A 1 319 ? 6.849   19.646  -8.597  1.000 29.554  0  564 LEU   A N   1 
ATOM   2398 C CA  . LEU   A 1 319 ? 6.877   19.476  -7.146  1.000 27.592  0  564 LEU   A CA  1 
ATOM   2399 C C   . LEU   A 1 319 ? 8.320   19.286  -6.674  1.000 26.324  0  564 LEU   A C   1 
ATOM   2400 O O   . LEU   A 1 319 ? 8.537   19.192  -5.471  1.000 22.866  0  564 LEU   A O   1 
ATOM   2401 C CB  . LEU   A 1 319 ? 6.049   18.254  -6.724  1.000 27.340  0  564 LEU   A CB  1 
ATOM   2402 C CG  . LEU   A 1 319 ? 4.568   18.241  -7.092  1.000 29.742  0  564 LEU   A CG  1 
ATOM   2403 C CD1 . LEU   A 1 319 ? 3.915   16.956  -6.579  1.000 30.125  0  564 LEU   A CD1 1 
ATOM   2404 C CD2 . LEU   A 1 319 ? 3.842   19.460  -6.548  1.000 29.309  0  564 LEU   A CD2 1 
ATOM   2405 N N   . GLY   A 1 320 ? 9.263   19.121  -7.627  1.000 25.373  0  565 GLY   A N   1 
ATOM   2406 C CA  . GLY   A 1 320 ? 10.685  19.030  -7.315  1.000 26.104  0  565 GLY   A CA  1 
ATOM   2407 C C   . GLY   A 1 320 ? 11.083  17.651  -6.774  1.000 26.486  0  565 GLY   A C   1 
ATOM   2408 O O   . GLY   A 1 320 ? 11.949  17.504  -5.909  1.000 28.696  0  565 GLY   A O   1 
ATOM   2409 N N   . VAL   A 1 321 ? 10.427  16.618  -7.280  1.000 26.709  0  566 VAL   A N   1 
ATOM   2410 C CA  . VAL   A 1 321 ? 10.793  15.254  -6.936  1.000 27.862  0  566 VAL   A CA  1 
ATOM   2411 C C   . VAL   A 1 321 ? 11.962  14.910  -7.840  1.000 27.252  0  566 VAL   A C   1 
ATOM   2412 O O   . VAL   A 1 321 ? 11.948  15.235  -9.023  1.000 28.752  0  566 VAL   A O   1 
ATOM   2413 C CB  . VAL   A 1 321 ? 9.613   14.270  -7.085  1.000 26.551  0  566 VAL   A CB  1 
ATOM   2414 C CG1 . VAL   A 1 321 ? 9.988   12.855  -6.672  1.000 27.772  0  566 VAL   A CG1 1 
ATOM   2415 C CG2 . VAL   A 1 321 ? 8.390   14.736  -6.310  1.000 27.115  0  566 VAL   A CG2 1 
ATOM   2416 N N   . SER   A 1 322 ? 13.004  14.356  -7.232  1.000 31.555  0  567 SER   A N   1 
ATOM   2417 C CA  . SER   A 1 322 ? 14.219  14.023  -7.947  1.000 33.234  0  567 SER   A CA  1 
ATOM   2418 C C   . SER   A 1 322 ? 13.979  12.700  -8.666  1.000 33.571  0  567 SER   A C   1 
ATOM   2419 O O   . SER   A 1 322 ? 13.373  11.791  -8.086  1.000 34.731  0  567 SER   A O   1 
ATOM   2420 C CB  . SER   A 1 322 ? 15.422  13.937  -7.016  1.000 36.101  0  567 SER   A CB  1 
ATOM   2421 O OG  . SER   A 1 322 ? 15.741  15.196  -6.426  1.000 39.992  0  567 SER   A OG  1 
ATOM   2422 N N   . PRO   A 1 323 ? 14.464  12.552  -9.927  1.000 31.434  0  568 PRO   A N   1 
ATOM   2423 C CA  . PRO   A 1 323 ? 14.514  11.251  -10.600 1.000 29.507  0  568 PRO   A CA  1 
ATOM   2424 C C   . PRO   A 1 323 ? 15.212  10.185  -9.762  1.000 28.183  0  568 PRO   A C   1 
ATOM   2425 O O   . PRO   A 1 323 ? 16.239  10.444  -9.144  1.000 33.669  0  568 PRO   A O   1 
ATOM   2426 C CB  . PRO   A 1 323 ? 15.331  11.563  -11.859 1.000 28.261  0  568 PRO   A CB  1 
ATOM   2427 C CG  . PRO   A 1 323 ? 14.997  12.983  -12.140 1.000 27.758  0  568 PRO   A CG  1 
ATOM   2428 C CD  . PRO   A 1 323 ? 15.006  13.627  -10.772 1.000 28.279  0  568 PRO   A CD  1 
ATOM   2429 N N   . THR   A 1 324 ? 14.634  8.992   -9.738  1.000 26.196  0  569 THR   A N   1 
ATOM   2430 C CA  . THR   A 1 324 ? 15.181  7.895   -8.975  1.000 26.710  0  569 THR   A CA  1 
ATOM   2431 C C   . THR   A 1 324 ? 16.235  7.163   -9.798  1.000 29.055  0  569 THR   A C   1 
ATOM   2432 O O   . THR   A 1 324 ? 16.931  6.332   -9.246  1.000 28.782  0  569 THR   A O   1 
ATOM   2433 C CB  . THR   A 1 324 ? 14.054  6.946   -8.546  1.000 25.566  0  569 THR   A CB  1 
ATOM   2434 O OG1 . THR   A 1 324 ? 13.291  6.674   -9.715  1.000 27.178  0  569 THR   A OG1 1 
ATOM   2435 C CG2 . THR   A 1 324 ? 13.180  7.533   -7.463  1.000 23.886  0  569 THR   A CG2 1 
ATOM   2436 N N   . LYS   A 1 325 ? 16.299  7.422   -11.116 1.000 32.797  0  570 LYS   A N   1 
ATOM   2437 C CA  . LYS   A 1 325 ? 17.249  6.744   -11.985 1.000 34.589  0  570 LYS   A CA  1 
ATOM   2438 C C   . LYS   A 1 325 ? 17.639  7.654   -13.148 1.000 35.577  0  570 LYS   A C   1 
ATOM   2439 O O   . LYS   A 1 325 ? 16.926  8.593   -13.486 1.000 39.262  0  570 LYS   A O   1 
ATOM   2440 C CB  . LYS   A 1 325 ? 16.688  5.421   -12.497 1.000 35.107  0  570 LYS   A CB  1 
ATOM   2441 C CG  . LYS   A 1 325 ? 15.609  5.584   -13.551 1.000 37.615  0  570 LYS   A CG  1 
ATOM   2442 C CD  . LYS   A 1 325 ? 14.823  4.326   -13.792 1.000 37.090  0  570 LYS   A CD  1 
ATOM   2443 C CE  . LYS   A 1 325 ? 13.791  4.556   -14.872 1.000 38.573  0  570 LYS   A CE  1 
ATOM   2444 N NZ  . LYS   A 1 325 ? 13.163  3.286   -15.287 1.000 42.253  0  570 LYS   A NZ  1 
ATOM   2445 N N   . PRO   A 1 326 ? 18.833  7.464   -13.745 1.000 34.005  0  571 PRO   A N   1 
ATOM   2446 C CA  . PRO   A 1 326 ? 19.326  8.410   -14.743 1.000 34.160  0  571 PRO   A CA  1 
ATOM   2447 C C   . PRO   A 1 326 ? 18.395  8.471   -15.946 1.000 31.432  0  571 PRO   A C   1 
ATOM   2448 O O   . PRO   A 1 326 ? 17.844  7.450   -16.348 1.000 26.422  0  571 PRO   A O   1 
ATOM   2449 C CB  . PRO   A 1 326 ? 20.721  7.875   -15.115 1.000 33.283  0  571 PRO   A CB  1 
ATOM   2450 C CG  . PRO   A 1 326 ? 21.115  7.034   -13.914 1.000 33.628  0  571 PRO   A CG  1 
ATOM   2451 C CD  . PRO   A 1 326 ? 19.815  6.416   -13.425 1.000 33.422  0  571 PRO   A CD  1 
ATOM   2452 N N   . LEU   A 1 327 ? 18.281  9.685   -16.490 1.000 33.118  0  572 LEU   A N   1 
ATOM   2453 C CA  . LEU   A 1 327 ? 17.542  9.988   -17.704 1.000 40.889  0  572 LEU   A CA  1 
ATOM   2454 C C   . LEU   A 1 327 ? 18.252  9.400   -18.927 1.000 43.458  0  572 LEU   A C   1 
ATOM   2455 O O   . LEU   A 1 327 ? 19.443  9.635   -19.090 1.000 46.882  0  572 LEU   A O   1 
ATOM   2456 C CB  . LEU   A 1 327 ? 17.473  11.516  -17.807 1.000 44.142  0  572 LEU   A CB  1 
ATOM   2457 C CG  . LEU   A 1 327 ? 16.815  12.240  -16.622 1.000 49.534  0  572 LEU   A CG  1 
ATOM   2458 C CD1 . LEU   A 1 327 ? 17.013  13.755  -16.691 1.000 46.559  0  572 LEU   A CD1 1 
ATOM   2459 C CD2 . LEU   A 1 327 ? 15.330  11.919  -16.527 1.000 48.367  0  572 LEU   A CD2 1 
ATOM   2460 N N   . THR   A 1 328 ? 17.509  8.691   -19.797 1.000 44.358  0  573 THR   A N   1 
ATOM   2461 C CA  . THR   A 1 328 ? 18.044  8.118   -21.032 1.000 52.232  0  573 THR   A CA  1 
ATOM   2462 C C   . THR   A 1 328 ? 18.474  9.219   -22.021 1.000 50.161  0  573 THR   A C   1 
ATOM   2463 O O   . THR   A 1 328 ? 17.572  9.972   -22.474 1.000 50.674  0  573 THR   A O   1 
ATOM   2464 C CB  . THR   A 1 328 ? 17.038  7.170   -21.716 1.000 52.188  0  573 THR   A CB  1 
ATOM   2465 O OG1 . THR   A 1 328 ? 15.842  7.914   -21.917 1.000 50.974  0  573 THR   A OG1 1 
ATOM   2466 C CG2 . THR   A 1 328 ? 16.704  5.922   -20.923 1.000 50.318  0  573 THR   A CG2 1 
HETATM 2467 C C10 . A1BJB B 2 .   ? -9.202  -6.045  -21.509 1.000 35.380  0  601 A1BJB A C10 1 
HETATM 2468 N N12 . A1BJB B 2 .   ? -11.080 -4.624  -21.587 1.000 42.527  0  601 A1BJB A N12 1 
HETATM 2469 C C13 . A1BJB B 2 .   ? -12.139 -5.444  -22.121 1.000 39.905  0  601 A1BJB A C13 1 
HETATM 2470 C C15 . A1BJB B 2 .   ? -13.144 -4.812  -23.087 1.000 42.596  0  601 A1BJB A C15 1 
HETATM 2471 C C17 . A1BJB B 2 .   ? -15.574 -4.745  -22.587 1.000 42.449  0  601 A1BJB A C17 1 
HETATM 2472 C C20 . A1BJB B 2 .   ? -18.157 -4.716  -21.996 1.000 43.002  0  601 A1BJB A C20 1 
HETATM 2473 C C21 . A1BJB B 2 .   ? -19.200 -5.532  -21.872 1.000 43.109  0  601 A1BJB A C21 1 
HETATM 2474 C C24 . A1BJB B 2 .   ? -21.473 -7.360  -20.675 1.000 40.703  0  601 A1BJB A C24 1 
HETATM 2475 O O01 . A1BJB B 2 .   ? -9.731  -2.633  -20.280 1.000 32.892  0  601 A1BJB A O01 1 
HETATM 2476 B B02 . A1BJB B 2 .   ? -9.153  -3.876  -20.030 1.000 37.603  0  601 A1BJB A B02 1 
HETATM 2477 O O03 . A1BJB B 2 .   ? -7.808  -3.894  -20.354 1.000 36.318  0  601 A1BJB A O03 1 
HETATM 2478 C C04 . A1BJB B 2 .   ? -7.595  -4.106  -21.774 1.000 37.217  0  601 A1BJB A C04 1 
HETATM 2479 C C05 . A1BJB B 2 .   ? -6.767  -3.257  -22.491 1.000 37.884  0  601 A1BJB A C05 1 
HETATM 2480 C C06 . A1BJB B 2 .   ? -6.574  -3.423  -23.876 1.000 38.287  0  601 A1BJB A C06 1 
HETATM 2481 C C07 . A1BJB B 2 .   ? -7.281  -4.467  -24.523 1.000 37.446  0  601 A1BJB A C07 1 
HETATM 2482 C C08 . A1BJB B 2 .   ? -8.145  -5.322  -23.812 1.000 36.549  0  601 A1BJB A C08 1 
HETATM 2483 C C09 . A1BJB B 2 .   ? -8.289  -5.157  -22.421 1.000 38.633  0  601 A1BJB A C09 1 
HETATM 2484 C C11 . A1BJB B 2 .   ? -10.011 -5.107  -20.650 1.000 40.298  0  601 A1BJB A C11 1 
HETATM 2485 O O14 . A1BJB B 2 .   ? -12.255 -6.560  -21.768 1.000 40.453  0  601 A1BJB A O14 1 
HETATM 2486 N N16 . A1BJB B 2 .   ? -14.374 -5.490  -22.765 1.000 40.670  0  601 A1BJB A N16 1 
HETATM 2487 O O18 . A1BJB B 2 .   ? -15.591 -3.568  -22.779 1.000 43.615  0  601 A1BJB A O18 1 
HETATM 2488 N N19 . A1BJB B 2 .   ? -16.773 -5.475  -22.217 1.000 46.626  0  601 A1BJB A N19 1 
HETATM 2489 N N22 . A1BJB B 2 .   ? -19.102 -6.785  -20.882 1.000 38.974  0  601 A1BJB A N22 1 
HETATM 2490 C C23 . A1BJB B 2 .   ? -20.151 -7.209  -19.963 1.000 36.497  0  601 A1BJB A C23 1 
HETATM 2491 C C25 . A1BJB B 2 .   ? -17.926 -7.369  -21.027 1.000 44.974  0  601 A1BJB A C25 1 
HETATM 2492 O O26 . A1BJB B 2 .   ? -17.646 -8.333  -20.380 1.000 47.610  0  601 A1BJB A O26 1 
HETATM 2493 C C27 . A1BJB B 2 .   ? -16.844 -6.780  -21.992 1.000 45.570  0  601 A1BJB A C27 1 
HETATM 2494 O O28 . A1BJB B 2 .   ? -16.004 -7.471  -22.439 1.000 44.556  0  601 A1BJB A O28 1 
HETATM 2495 C C29 . A1BJB B 2 .   ? -12.659 -4.873  -24.532 1.000 44.807  0  601 A1BJB A C29 1 
HETATM 2496 C C30 . A1BJB B 2 .   ? -12.037 -3.758  -25.008 1.000 45.642  0  601 A1BJB A C30 1 
HETATM 2497 C C31 . A1BJB B 2 .   ? -11.555 -3.727  -26.280 1.000 49.780  0  601 A1BJB A C31 1 
HETATM 2498 C C32 . A1BJB B 2 .   ? -11.714 -4.819  -27.091 1.000 53.536  0  601 A1BJB A C32 1 
HETATM 2499 C C33 . A1BJB B 2 .   ? -12.348 -5.958  -26.640 1.000 52.351  0  601 A1BJB A C33 1 
HETATM 2500 C C34 . A1BJB B 2 .   ? -12.825 -5.973  -25.346 1.000 49.674  0  601 A1BJB A C34 1 
HETATM 2501 C C35 . A1BJB B 2 .   ? -11.165 -4.727  -28.487 1.000 49.705  0  601 A1BJB A C35 1 
HETATM 2502 O O36 . A1BJB B 2 .   ? -10.199 -5.454  -28.748 1.000 52.807  0  601 A1BJB A O36 1 
HETATM 2503 O O37 . A1BJB B 2 .   ? -11.638 -3.931  -29.325 1.000 51.630  -1 601 A1BJB A O37 1 
HETATM 2504 C C38 . A1BJB B 2 .   ? -6.095  -2.187  -21.682 1.000 32.874  0  601 A1BJB A C38 1 
HETATM 2505 O O39 . A1BJB B 2 .   ? -6.024  -1.029  -22.113 1.000 30.059  0  601 A1BJB A O39 1 
HETATM 2506 O O40 . A1BJB B 2 .   ? -5.602  -2.522  -20.585 1.000 35.898  -1 601 A1BJB A O40 1 
HETATM 2507 O O   . HOH   C 3 .   ? -12.615 19.627  2.000   1.000 10.857  0  701 HOH   A O   1 
HETATM 2508 O O   . HOH   C 3 .   ? -9.599  -21.035 -17.605 1.000 19.412  0  702 HOH   A O   1 
HETATM 2509 O O   . HOH   C 3 .   ? -13.922 12.126  0.375   1.000 15.920  0  703 HOH   A O   1 
HETATM 2510 O O   . HOH   C 3 .   ? -13.432 6.238   -4.179  1.000 9.290   0  704 HOH   A O   1 
HETATM 2511 O O   . HOH   C 3 .   ? -18.179 11.729  -8.036  1.000 14.789  0  705 HOH   A O   1 
HETATM 2512 O O   . HOH   C 3 .   ? -19.117 10.738  -4.470  1.000 27.615  0  706 HOH   A O   1 
HETATM 2513 O O   . HOH   C 3 .   ? -22.910 -3.016  -9.378  1.000 25.468  0  707 HOH   A O   1 
HETATM 2514 O O   . HOH   C 3 .   ? -12.509 2.915   -19.807 1.000 23.390  0  708 HOH   A O   1 
HETATM 2515 O O   . HOH   C 3 .   ? -13.157 -4.947  2.430   1.000 18.495  0  709 HOH   A O   1 
HETATM 2516 O O   . HOH   C 3 .   ? -16.013 10.596  -14.279 1.000 13.019  0  710 HOH   A O   1 
HETATM 2517 O O   . HOH   C 3 .   ? 3.071   -16.265 0.473   1.000 17.395  0  711 HOH   A O   1 
HETATM 2518 O O   . HOH   C 3 .   ? -13.888 -7.878  1.967   1.000 13.174  0  712 HOH   A O   1 
HETATM 2519 O O   . HOH   C 3 .   ? -15.313 -13.716 -10.322 1.000 24.234  0  713 HOH   A O   1 
HETATM 2520 O O   . HOH   C 3 .   ? -0.404  -2.865  7.291   1.000 16.269  0  714 HOH   A O   1 
HETATM 2521 O O   . HOH   C 3 .   ? 8.397   4.925   -16.039 1.000 17.010  0  715 HOH   A O   1 
HETATM 2522 O O   . HOH   C 3 .   ? -16.496 -9.213  -7.877  1.000 24.710  0  716 HOH   A O   1 
HETATM 2523 O O   . HOH   C 3 .   ? -7.860  15.388  1.342   1.000 20.088  0  717 HOH   A O   1 
HETATM 2524 O O   . HOH   C 3 .   ? 1.530   -4.687  6.439   1.000 23.176  0  718 HOH   A O   1 
HETATM 2525 O O   . HOH   C 3 .   ? 2.239   -7.824  6.746   1.000 26.088  0  719 HOH   A O   1 
# 
