data_8UWR
# 
_entry.id   8UWR 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.398 
_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   8UWR         pdb_00008uwr 10.2210/pdb8uwr/pdb 
WWPDB D_1000278965 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2024-11-06 
# 
_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                        8UWR 
_pdbx_database_status.recvd_initial_deposition_date   2023-11-07 
_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           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              jkim@blueprintmedicines.com 
_pdbx_contact_author.name_first         Joseph 
_pdbx_contact_author.name_last          Kim 
_pdbx_contact_author.name_mi            L 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-7739-2343 
# 
_audit_author.name               'Kim, J.L.' 
_audit_author.pdbx_ordinal       1 
_audit_author.identifier_ORCID   ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Sci Transl Med' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1946-6242 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            16 
_citation.language                  ? 
_citation.page_first                eabp8334 
_citation.page_last                 eabp8334 
_citation.title                     
'An ALK2 inhibitor, BLU-782, prevents heterotopic ossification in a mouse model of fibrodysplasia ossificans progressiva.' 
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1126/scitranslmed.abp8334 
_citation.pdbx_database_id_PubMed   38809966 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Davis, A.J.'     1  0000-0003-4425-7871 
primary 'Brooijmans, N.'  2  0000-0003-3514-4189 
primary 'Brubaker, J.D.'  3  ?                   
primary 'Stevison, F.'    4  0000-0002-7318-060X 
primary 'LaBranche, T.P.' 5  0000-0003-4715-638X 
primary 'Albayya, F.'     6  0009-0008-2271-6348 
primary 'Fleming, P.'     7  0000-0002-3009-0858 
primary 'Hodous, B.L.'    8  ?                   
primary 'Kim, J.L.'       9  0000-0002-7739-2343 
primary 'Kim, S.'         10 ?                   
primary 'Lobbardi, R.'    11 ?                   
primary 'Palmer, M.'      12 0009-0001-7284-833X 
primary 'Sheets, M.P.'    13 ?                   
primary 'Vassiliadis, J.' 14 0009-0001-0965-5009 
primary 'Wang, R.'        15 ?                   
primary 'Williams, B.D.'  16 ?                   
primary 'Wilson, D.'      17 0009-0003-8468-0284 
primary 'Xu, L.'          18 ?                   
primary 'Zhu, X.J.'       19 0000-0003-4422-9766 
primary 'Bouchard, K.'    20 ?                   
primary 'Hunter, J.W.'    21 0000-0002-3898-6632 
primary 'Graul, C.'       22 0009-0003-4728-0927 
primary 'Greenblatt, E.'  23 0009-0009-6848-0817 
primary 'Hussein, A.'     24 ?                   
primary 'Lyon, M.'        25 0000-0002-1148-0674 
primary 'Russo, J.'       26 ?                   
primary 'Stewart, R.'     27 0009-0003-2794-2460 
primary 'Dorsch, M.'      28 ?                   
primary 'Guzi, T.J.'      29 0009-0004-7458-4245 
primary 'Kadambi, V.'     30 ?                   
primary 'Lengauer, C.'    31 ?                   
primary 'Garner, A.P.'    32 ?                   
# 
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 'Activin receptor type-1'                                                                               
37066.340 1   2.7.11.30 Q207D ? ? 
2 non-polymer syn 'SULFATE ION'                                                                                           96.063 6 
?         ?     ? ? 
3 non-polymer syn 'cyclopropyl(4-{(8R)-6-[4-(piperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl}piperazin-1-yl)methanone' 430.545 
1   ?         ?     ? ? 
4 water       nat water                                                                                                   18.015 
163 ?         ?     ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;Activin receptor type I,ACTR-I,Activin receptor-like kinase 2,ALK-2,Serine/threonine-protein kinase receptor R1,SKR1,TGF-B superfamily receptor type I,TSR-I
;
# 
_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       
;MGHHHHHHSSGVDLGTENLYFQSMQRTVARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVM
LRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFGTQGKPAIAHRD
LKSKNILVKKNGQCCIADLGLAVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVAR
RMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLT
KID
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MGHHHHHHSSGVDLGTENLYFQSMQRTVARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVM
LRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFGTQGKPAIAHRD
LKSKNILVKKNGQCCIADLGLAVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVAR
RMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLT
KID
;
_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 'SULFATE ION'                                                                                           SO4 
3 'cyclopropyl(4-{(8R)-6-[4-(piperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl}piperazin-1-yl)methanone' XQX 
4 water                                                                                                   HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   GLY n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   HIS n 
1 9   SER n 
1 10  SER n 
1 11  GLY n 
1 12  VAL n 
1 13  ASP n 
1 14  LEU n 
1 15  GLY n 
1 16  THR n 
1 17  GLU n 
1 18  ASN n 
1 19  LEU n 
1 20  TYR n 
1 21  PHE n 
1 22  GLN n 
1 23  SER n 
1 24  MET n 
1 25  GLN n 
1 26  ARG n 
1 27  THR n 
1 28  VAL n 
1 29  ALA n 
1 30  ARG n 
1 31  ASP n 
1 32  ILE n 
1 33  THR n 
1 34  LEU n 
1 35  LEU n 
1 36  GLU n 
1 37  CYS n 
1 38  VAL n 
1 39  GLY n 
1 40  LYS n 
1 41  GLY n 
1 42  ARG n 
1 43  TYR n 
1 44  GLY n 
1 45  GLU n 
1 46  VAL n 
1 47  TRP n 
1 48  ARG n 
1 49  GLY n 
1 50  SER n 
1 51  TRP n 
1 52  GLN n 
1 53  GLY n 
1 54  GLU n 
1 55  ASN n 
1 56  VAL n 
1 57  ALA n 
1 58  VAL n 
1 59  LYS n 
1 60  ILE n 
1 61  PHE n 
1 62  SER n 
1 63  SER n 
1 64  ARG n 
1 65  ASP n 
1 66  GLU n 
1 67  LYS n 
1 68  SER n 
1 69  TRP n 
1 70  PHE n 
1 71  ARG n 
1 72  GLU n 
1 73  THR n 
1 74  GLU n 
1 75  LEU n 
1 76  TYR n 
1 77  ASN n 
1 78  THR n 
1 79  VAL n 
1 80  MET n 
1 81  LEU n 
1 82  ARG n 
1 83  HIS n 
1 84  GLU n 
1 85  ASN n 
1 86  ILE n 
1 87  LEU n 
1 88  GLY n 
1 89  PHE n 
1 90  ILE n 
1 91  ALA n 
1 92  SER n 
1 93  ASP n 
1 94  MET n 
1 95  THR n 
1 96  SER n 
1 97  ARG n 
1 98  HIS n 
1 99  SER n 
1 100 SER n 
1 101 THR n 
1 102 GLN n 
1 103 LEU n 
1 104 TRP n 
1 105 LEU n 
1 106 ILE n 
1 107 THR n 
1 108 HIS n 
1 109 TYR n 
1 110 HIS n 
1 111 GLU n 
1 112 MET n 
1 113 GLY n 
1 114 SER n 
1 115 LEU n 
1 116 TYR n 
1 117 ASP n 
1 118 TYR n 
1 119 LEU n 
1 120 GLN n 
1 121 LEU n 
1 122 THR n 
1 123 THR n 
1 124 LEU n 
1 125 ASP n 
1 126 THR n 
1 127 VAL n 
1 128 SER n 
1 129 CYS n 
1 130 LEU n 
1 131 ARG n 
1 132 ILE n 
1 133 VAL n 
1 134 LEU n 
1 135 SER n 
1 136 ILE n 
1 137 ALA n 
1 138 SER n 
1 139 GLY n 
1 140 LEU n 
1 141 ALA n 
1 142 HIS n 
1 143 LEU n 
1 144 HIS n 
1 145 ILE n 
1 146 GLU n 
1 147 ILE n 
1 148 PHE n 
1 149 GLY n 
1 150 THR n 
1 151 GLN n 
1 152 GLY n 
1 153 LYS n 
1 154 PRO n 
1 155 ALA n 
1 156 ILE n 
1 157 ALA n 
1 158 HIS n 
1 159 ARG n 
1 160 ASP n 
1 161 LEU n 
1 162 LYS n 
1 163 SER n 
1 164 LYS n 
1 165 ASN n 
1 166 ILE n 
1 167 LEU n 
1 168 VAL n 
1 169 LYS n 
1 170 LYS n 
1 171 ASN n 
1 172 GLY n 
1 173 GLN n 
1 174 CYS n 
1 175 CYS n 
1 176 ILE n 
1 177 ALA n 
1 178 ASP n 
1 179 LEU n 
1 180 GLY n 
1 181 LEU n 
1 182 ALA n 
1 183 VAL n 
1 184 MET n 
1 185 HIS n 
1 186 SER n 
1 187 GLN n 
1 188 SER n 
1 189 THR n 
1 190 ASN n 
1 191 GLN n 
1 192 LEU n 
1 193 ASP n 
1 194 VAL n 
1 195 GLY n 
1 196 ASN n 
1 197 ASN n 
1 198 PRO n 
1 199 ARG n 
1 200 VAL n 
1 201 GLY n 
1 202 THR n 
1 203 LYS n 
1 204 ARG n 
1 205 TYR n 
1 206 MET n 
1 207 ALA n 
1 208 PRO n 
1 209 GLU n 
1 210 VAL n 
1 211 LEU n 
1 212 ASP n 
1 213 GLU n 
1 214 THR n 
1 215 ILE n 
1 216 GLN n 
1 217 VAL n 
1 218 ASP n 
1 219 CYS n 
1 220 PHE n 
1 221 ASP n 
1 222 SER n 
1 223 TYR n 
1 224 LYS n 
1 225 ARG n 
1 226 VAL n 
1 227 ASP n 
1 228 ILE n 
1 229 TRP n 
1 230 ALA n 
1 231 PHE n 
1 232 GLY n 
1 233 LEU n 
1 234 VAL n 
1 235 LEU n 
1 236 TRP n 
1 237 GLU n 
1 238 VAL n 
1 239 ALA n 
1 240 ARG n 
1 241 ARG n 
1 242 MET n 
1 243 VAL n 
1 244 SER n 
1 245 ASN n 
1 246 GLY n 
1 247 ILE n 
1 248 VAL n 
1 249 GLU n 
1 250 ASP n 
1 251 TYR n 
1 252 LYS n 
1 253 PRO n 
1 254 PRO n 
1 255 PHE n 
1 256 TYR n 
1 257 ASP n 
1 258 VAL n 
1 259 VAL n 
1 260 PRO n 
1 261 ASN n 
1 262 ASP n 
1 263 PRO n 
1 264 SER n 
1 265 PHE n 
1 266 GLU n 
1 267 ASP n 
1 268 MET n 
1 269 ARG n 
1 270 LYS n 
1 271 VAL n 
1 272 VAL n 
1 273 CYS n 
1 274 VAL n 
1 275 ASP n 
1 276 GLN n 
1 277 GLN n 
1 278 ARG n 
1 279 PRO n 
1 280 ASN n 
1 281 ILE n 
1 282 PRO n 
1 283 ASN n 
1 284 ARG n 
1 285 TRP n 
1 286 PHE n 
1 287 SER n 
1 288 ASP n 
1 289 PRO n 
1 290 THR n 
1 291 LEU n 
1 292 THR n 
1 293 SER n 
1 294 LEU n 
1 295 ALA n 
1 296 LYS n 
1 297 LEU n 
1 298 MET n 
1 299 LYS n 
1 300 GLU n 
1 301 CYS n 
1 302 TRP n 
1 303 TYR n 
1 304 GLN n 
1 305 ASN n 
1 306 PRO n 
1 307 SER n 
1 308 ALA n 
1 309 ARG n 
1 310 LEU n 
1 311 THR n 
1 312 ALA n 
1 313 LEU n 
1 314 ARG n 
1 315 ILE n 
1 316 LYS n 
1 317 LYS n 
1 318 THR n 
1 319 LEU n 
1 320 THR n 
1 321 LYS n 
1 322 ILE n 
1 323 ASP 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                   323 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'ACVR1, ACVRLK2' 
_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      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_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      'Spodoptera frugiperda' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     7108 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                                                                                 
? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                                                                                                
? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                                                                                              
? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                                                                         
? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                                                                                                
? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE                                                                                               
? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                                                                         
? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                                                                                                 
? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                                                                                               
? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                                                                                                   
? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                                                                              
? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                                                                                                 
? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                                                                                                  
? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                                                                                              
? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                                                                                           
? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                                                                                                 
? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                                                                                                  
? 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'                                                                                           
? 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE                                                                                               
? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                                                                              
? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                                                                                                
? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                                                                                                  
? 'C5 H11 N O2'    117.146 
XQX non-polymer         . 'cyclopropyl(4-{(8R)-6-[4-(piperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl}piperazin-1-yl)methanone' 
? 'C25 H30 N6 O'   430.545 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   177 ?   ?   ?   A . n 
A 1 2   GLY 2   178 ?   ?   ?   A . n 
A 1 3   HIS 3   179 ?   ?   ?   A . n 
A 1 4   HIS 4   180 ?   ?   ?   A . n 
A 1 5   HIS 5   181 ?   ?   ?   A . n 
A 1 6   HIS 6   182 ?   ?   ?   A . n 
A 1 7   HIS 7   183 ?   ?   ?   A . n 
A 1 8   HIS 8   184 ?   ?   ?   A . n 
A 1 9   SER 9   185 ?   ?   ?   A . n 
A 1 10  SER 10  186 ?   ?   ?   A . n 
A 1 11  GLY 11  187 ?   ?   ?   A . n 
A 1 12  VAL 12  188 ?   ?   ?   A . n 
A 1 13  ASP 13  189 ?   ?   ?   A . n 
A 1 14  LEU 14  190 ?   ?   ?   A . n 
A 1 15  GLY 15  191 ?   ?   ?   A . n 
A 1 16  THR 16  192 ?   ?   ?   A . n 
A 1 17  GLU 17  193 ?   ?   ?   A . n 
A 1 18  ASN 18  194 ?   ?   ?   A . n 
A 1 19  LEU 19  195 ?   ?   ?   A . n 
A 1 20  TYR 20  196 ?   ?   ?   A . n 
A 1 21  PHE 21  197 ?   ?   ?   A . n 
A 1 22  GLN 22  198 ?   ?   ?   A . n 
A 1 23  SER 23  199 ?   ?   ?   A . n 
A 1 24  MET 24  200 ?   ?   ?   A . n 
A 1 25  GLN 25  201 ?   ?   ?   A . n 
A 1 26  ARG 26  202 ?   ?   ?   A . n 
A 1 27  THR 27  203 203 THR THR A . n 
A 1 28  VAL 28  204 204 VAL VAL A . n 
A 1 29  ALA 29  205 205 ALA ALA A . n 
A 1 30  ARG 30  206 206 ARG ARG A . n 
A 1 31  ASP 31  207 207 ASP ASP A . n 
A 1 32  ILE 32  208 208 ILE ILE A . n 
A 1 33  THR 33  209 209 THR THR A . n 
A 1 34  LEU 34  210 210 LEU LEU A . n 
A 1 35  LEU 35  211 211 LEU LEU A . n 
A 1 36  GLU 36  212 212 GLU GLU A . n 
A 1 37  CYS 37  213 213 CYS CYS A . n 
A 1 38  VAL 38  214 214 VAL VAL A . n 
A 1 39  GLY 39  215 215 GLY GLY A . n 
A 1 40  LYS 40  216 216 LYS LYS A . n 
A 1 41  GLY 41  217 217 GLY GLY A . n 
A 1 42  ARG 42  218 218 ARG ARG A . n 
A 1 43  TYR 43  219 219 TYR TYR A . n 
A 1 44  GLY 44  220 220 GLY GLY A . n 
A 1 45  GLU 45  221 221 GLU GLU A . n 
A 1 46  VAL 46  222 222 VAL VAL A . n 
A 1 47  TRP 47  223 223 TRP TRP A . n 
A 1 48  ARG 48  224 224 ARG ARG A . n 
A 1 49  GLY 49  225 225 GLY GLY A . n 
A 1 50  SER 50  226 226 SER SER A . n 
A 1 51  TRP 51  227 227 TRP TRP A . n 
A 1 52  GLN 52  228 228 GLN GLN A . n 
A 1 53  GLY 53  229 229 GLY GLY A . n 
A 1 54  GLU 54  230 230 GLU GLU A . n 
A 1 55  ASN 55  231 231 ASN ASN A . n 
A 1 56  VAL 56  232 232 VAL VAL A . n 
A 1 57  ALA 57  233 233 ALA ALA A . n 
A 1 58  VAL 58  234 234 VAL VAL A . n 
A 1 59  LYS 59  235 235 LYS LYS A . n 
A 1 60  ILE 60  236 236 ILE ILE A . n 
A 1 61  PHE 61  237 237 PHE PHE A . n 
A 1 62  SER 62  238 238 SER SER A . n 
A 1 63  SER 63  239 239 SER SER A . n 
A 1 64  ARG 64  240 240 ARG ARG A . n 
A 1 65  ASP 65  241 241 ASP ASP A . n 
A 1 66  GLU 66  242 242 GLU GLU A . n 
A 1 67  LYS 67  243 243 LYS LYS A . n 
A 1 68  SER 68  244 244 SER SER A . n 
A 1 69  TRP 69  245 245 TRP TRP A . n 
A 1 70  PHE 70  246 246 PHE PHE A . n 
A 1 71  ARG 71  247 247 ARG ARG A . n 
A 1 72  GLU 72  248 248 GLU GLU A . n 
A 1 73  THR 73  249 249 THR THR A . n 
A 1 74  GLU 74  250 250 GLU GLU A . n 
A 1 75  LEU 75  251 251 LEU LEU A . n 
A 1 76  TYR 76  252 252 TYR TYR A . n 
A 1 77  ASN 77  253 253 ASN ASN A . n 
A 1 78  THR 78  254 254 THR THR A . n 
A 1 79  VAL 79  255 255 VAL VAL A . n 
A 1 80  MET 80  256 256 MET MET A . n 
A 1 81  LEU 81  257 257 LEU LEU A . n 
A 1 82  ARG 82  258 258 ARG ARG A . n 
A 1 83  HIS 83  259 259 HIS HIS A . n 
A 1 84  GLU 84  260 260 GLU GLU A . n 
A 1 85  ASN 85  261 261 ASN ASN A . n 
A 1 86  ILE 86  262 262 ILE ILE A . n 
A 1 87  LEU 87  263 263 LEU LEU A . n 
A 1 88  GLY 88  264 264 GLY GLY A . n 
A 1 89  PHE 89  265 265 PHE PHE A . n 
A 1 90  ILE 90  266 266 ILE ILE A . n 
A 1 91  ALA 91  267 267 ALA ALA A . n 
A 1 92  SER 92  268 268 SER SER A . n 
A 1 93  ASP 93  269 269 ASP ASP A . n 
A 1 94  MET 94  270 270 MET MET A . n 
A 1 95  THR 95  271 271 THR THR A . n 
A 1 96  SER 96  272 272 SER SER A . n 
A 1 97  ARG 97  273 273 ARG ARG A . n 
A 1 98  HIS 98  274 274 HIS HIS A . n 
A 1 99  SER 99  275 275 SER SER A . n 
A 1 100 SER 100 276 276 SER SER A . n 
A 1 101 THR 101 277 277 THR THR A . n 
A 1 102 GLN 102 278 278 GLN GLN A . n 
A 1 103 LEU 103 279 279 LEU LEU A . n 
A 1 104 TRP 104 280 280 TRP TRP A . n 
A 1 105 LEU 105 281 281 LEU LEU A . n 
A 1 106 ILE 106 282 282 ILE ILE A . n 
A 1 107 THR 107 283 283 THR THR A . n 
A 1 108 HIS 108 284 284 HIS HIS A . n 
A 1 109 TYR 109 285 285 TYR TYR A . n 
A 1 110 HIS 110 286 286 HIS HIS A . n 
A 1 111 GLU 111 287 287 GLU GLU A . n 
A 1 112 MET 112 288 288 MET MET A . n 
A 1 113 GLY 113 289 289 GLY GLY A . n 
A 1 114 SER 114 290 290 SER SER A . n 
A 1 115 LEU 115 291 291 LEU LEU A . n 
A 1 116 TYR 116 292 292 TYR TYR A . n 
A 1 117 ASP 117 293 293 ASP ASP A . n 
A 1 118 TYR 118 294 294 TYR TYR A . n 
A 1 119 LEU 119 295 295 LEU LEU A . n 
A 1 120 GLN 120 296 296 GLN GLN A . n 
A 1 121 LEU 121 297 297 LEU LEU A . n 
A 1 122 THR 122 298 298 THR THR A . n 
A 1 123 THR 123 299 299 THR THR A . n 
A 1 124 LEU 124 300 300 LEU LEU A . n 
A 1 125 ASP 125 301 301 ASP ASP A . n 
A 1 126 THR 126 302 302 THR THR A . n 
A 1 127 VAL 127 303 303 VAL VAL A . n 
A 1 128 SER 128 304 304 SER SER A . n 
A 1 129 CYS 129 305 305 CYS CYS A . n 
A 1 130 LEU 130 306 306 LEU LEU A . n 
A 1 131 ARG 131 307 307 ARG ARG A . n 
A 1 132 ILE 132 308 308 ILE ILE A . n 
A 1 133 VAL 133 309 309 VAL VAL A . n 
A 1 134 LEU 134 310 310 LEU LEU A . n 
A 1 135 SER 135 311 311 SER SER A . n 
A 1 136 ILE 136 312 312 ILE ILE A . n 
A 1 137 ALA 137 313 313 ALA ALA A . n 
A 1 138 SER 138 314 314 SER SER A . n 
A 1 139 GLY 139 315 315 GLY GLY A . n 
A 1 140 LEU 140 316 316 LEU LEU A . n 
A 1 141 ALA 141 317 317 ALA ALA A . n 
A 1 142 HIS 142 318 318 HIS HIS A . n 
A 1 143 LEU 143 319 319 LEU LEU A . n 
A 1 144 HIS 144 320 320 HIS HIS A . n 
A 1 145 ILE 145 321 321 ILE ILE A . n 
A 1 146 GLU 146 322 322 GLU GLU A . n 
A 1 147 ILE 147 323 323 ILE ILE A . n 
A 1 148 PHE 148 324 324 PHE PHE A . n 
A 1 149 GLY 149 325 325 GLY GLY A . n 
A 1 150 THR 150 326 326 THR THR A . n 
A 1 151 GLN 151 327 327 GLN GLN A . n 
A 1 152 GLY 152 328 328 GLY GLY A . n 
A 1 153 LYS 153 329 329 LYS LYS A . n 
A 1 154 PRO 154 330 330 PRO PRO A . n 
A 1 155 ALA 155 331 331 ALA ALA A . n 
A 1 156 ILE 156 332 332 ILE ILE A . n 
A 1 157 ALA 157 333 333 ALA ALA A . n 
A 1 158 HIS 158 334 334 HIS HIS A . n 
A 1 159 ARG 159 335 335 ARG ARG A . n 
A 1 160 ASP 160 336 336 ASP ASP A . n 
A 1 161 LEU 161 337 337 LEU LEU A . n 
A 1 162 LYS 162 338 338 LYS LYS A . n 
A 1 163 SER 163 339 339 SER SER A . n 
A 1 164 LYS 164 340 340 LYS LYS A . n 
A 1 165 ASN 165 341 341 ASN ASN A . n 
A 1 166 ILE 166 342 342 ILE ILE A . n 
A 1 167 LEU 167 343 343 LEU LEU A . n 
A 1 168 VAL 168 344 344 VAL VAL A . n 
A 1 169 LYS 169 345 345 LYS LYS A . n 
A 1 170 LYS 170 346 346 LYS LYS A . n 
A 1 171 ASN 171 347 347 ASN ASN A . n 
A 1 172 GLY 172 348 348 GLY GLY A . n 
A 1 173 GLN 173 349 349 GLN GLN A . n 
A 1 174 CYS 174 350 350 CYS CYS A . n 
A 1 175 CYS 175 351 351 CYS CYS A . n 
A 1 176 ILE 176 352 352 ILE ILE A . n 
A 1 177 ALA 177 353 353 ALA ALA A . n 
A 1 178 ASP 178 354 354 ASP ASP A . n 
A 1 179 LEU 179 355 355 LEU LEU A . n 
A 1 180 GLY 180 356 356 GLY GLY A . n 
A 1 181 LEU 181 357 357 LEU LEU A . n 
A 1 182 ALA 182 358 358 ALA ALA A . n 
A 1 183 VAL 183 359 359 VAL VAL A . n 
A 1 184 MET 184 360 360 MET MET A . n 
A 1 185 HIS 185 361 361 HIS HIS A . n 
A 1 186 SER 186 362 362 SER SER A . n 
A 1 187 GLN 187 363 363 GLN GLN A . n 
A 1 188 SER 188 364 364 SER SER A . n 
A 1 189 THR 189 365 365 THR THR A . n 
A 1 190 ASN 190 366 366 ASN ASN A . n 
A 1 191 GLN 191 367 367 GLN GLN A . n 
A 1 192 LEU 192 368 368 LEU LEU A . n 
A 1 193 ASP 193 369 369 ASP ASP A . n 
A 1 194 VAL 194 370 370 VAL VAL A . n 
A 1 195 GLY 195 371 371 GLY GLY A . n 
A 1 196 ASN 196 372 372 ASN ASN A . n 
A 1 197 ASN 197 373 373 ASN ASN A . n 
A 1 198 PRO 198 374 374 PRO PRO A . n 
A 1 199 ARG 199 375 375 ARG ARG A . n 
A 1 200 VAL 200 376 376 VAL VAL A . n 
A 1 201 GLY 201 377 377 GLY GLY A . n 
A 1 202 THR 202 378 378 THR THR A . n 
A 1 203 LYS 203 379 379 LYS LYS A . n 
A 1 204 ARG 204 380 380 ARG ARG A . n 
A 1 205 TYR 205 381 381 TYR TYR A . n 
A 1 206 MET 206 382 382 MET MET A . n 
A 1 207 ALA 207 383 383 ALA ALA A . n 
A 1 208 PRO 208 384 384 PRO PRO A . n 
A 1 209 GLU 209 385 385 GLU GLU A . n 
A 1 210 VAL 210 386 386 VAL VAL A . n 
A 1 211 LEU 211 387 387 LEU LEU A . n 
A 1 212 ASP 212 388 388 ASP ASP A . n 
A 1 213 GLU 213 389 389 GLU GLU A . n 
A 1 214 THR 214 390 390 THR THR A . n 
A 1 215 ILE 215 391 391 ILE ILE A . n 
A 1 216 GLN 216 392 392 GLN GLN A . n 
A 1 217 VAL 217 393 393 VAL VAL A . n 
A 1 218 ASP 218 394 394 ASP ASP A . n 
A 1 219 CYS 219 395 395 CYS CYS A . n 
A 1 220 PHE 220 396 396 PHE PHE A . n 
A 1 221 ASP 221 397 397 ASP ASP A . n 
A 1 222 SER 222 398 398 SER SER A . n 
A 1 223 TYR 223 399 399 TYR TYR A . n 
A 1 224 LYS 224 400 400 LYS LYS A . n 
A 1 225 ARG 225 401 401 ARG ARG A . n 
A 1 226 VAL 226 402 402 VAL VAL A . n 
A 1 227 ASP 227 403 403 ASP ASP A . n 
A 1 228 ILE 228 404 404 ILE ILE A . n 
A 1 229 TRP 229 405 405 TRP TRP A . n 
A 1 230 ALA 230 406 406 ALA ALA A . n 
A 1 231 PHE 231 407 407 PHE PHE A . n 
A 1 232 GLY 232 408 408 GLY GLY A . n 
A 1 233 LEU 233 409 409 LEU LEU A . n 
A 1 234 VAL 234 410 410 VAL VAL A . n 
A 1 235 LEU 235 411 411 LEU LEU A . n 
A 1 236 TRP 236 412 412 TRP TRP A . n 
A 1 237 GLU 237 413 413 GLU GLU A . n 
A 1 238 VAL 238 414 414 VAL VAL A . n 
A 1 239 ALA 239 415 415 ALA ALA A . n 
A 1 240 ARG 240 416 416 ARG ARG A . n 
A 1 241 ARG 241 417 417 ARG ARG A . n 
A 1 242 MET 242 418 418 MET MET A . n 
A 1 243 VAL 243 419 419 VAL VAL A . n 
A 1 244 SER 244 420 420 SER SER A . n 
A 1 245 ASN 245 421 421 ASN ASN A . n 
A 1 246 GLY 246 422 422 GLY GLY A . n 
A 1 247 ILE 247 423 423 ILE ILE A . n 
A 1 248 VAL 248 424 424 VAL VAL A . n 
A 1 249 GLU 249 425 425 GLU GLU A . n 
A 1 250 ASP 250 426 426 ASP ASP A . n 
A 1 251 TYR 251 427 427 TYR TYR A . n 
A 1 252 LYS 252 428 428 LYS LYS A . n 
A 1 253 PRO 253 429 429 PRO PRO A . n 
A 1 254 PRO 254 430 430 PRO PRO A . n 
A 1 255 PHE 255 431 431 PHE PHE A . n 
A 1 256 TYR 256 432 432 TYR TYR A . n 
A 1 257 ASP 257 433 433 ASP ASP A . n 
A 1 258 VAL 258 434 434 VAL VAL A . n 
A 1 259 VAL 259 435 435 VAL VAL A . n 
A 1 260 PRO 260 436 436 PRO PRO A . n 
A 1 261 ASN 261 437 437 ASN ASN A . n 
A 1 262 ASP 262 438 438 ASP ASP A . n 
A 1 263 PRO 263 439 439 PRO PRO A . n 
A 1 264 SER 264 440 440 SER SER A . n 
A 1 265 PHE 265 441 441 PHE PHE A . n 
A 1 266 GLU 266 442 442 GLU GLU A . n 
A 1 267 ASP 267 443 443 ASP ASP A . n 
A 1 268 MET 268 444 444 MET MET A . n 
A 1 269 ARG 269 445 445 ARG ARG A . n 
A 1 270 LYS 270 446 446 LYS LYS A . n 
A 1 271 VAL 271 447 447 VAL VAL A . n 
A 1 272 VAL 272 448 448 VAL VAL A . n 
A 1 273 CYS 273 449 449 CYS CYS A . n 
A 1 274 VAL 274 450 450 VAL VAL A . n 
A 1 275 ASP 275 451 451 ASP ASP A . n 
A 1 276 GLN 276 452 452 GLN GLN A . n 
A 1 277 GLN 277 453 453 GLN GLN A . n 
A 1 278 ARG 278 454 454 ARG ARG A . n 
A 1 279 PRO 279 455 455 PRO PRO A . n 
A 1 280 ASN 280 456 456 ASN ASN A . n 
A 1 281 ILE 281 457 457 ILE ILE A . n 
A 1 282 PRO 282 458 458 PRO PRO A . n 
A 1 283 ASN 283 459 459 ASN ASN A . n 
A 1 284 ARG 284 460 460 ARG ARG A . n 
A 1 285 TRP 285 461 461 TRP TRP A . n 
A 1 286 PHE 286 462 462 PHE PHE A . n 
A 1 287 SER 287 463 463 SER SER A . n 
A 1 288 ASP 288 464 464 ASP ASP A . n 
A 1 289 PRO 289 465 465 PRO PRO A . n 
A 1 290 THR 290 466 466 THR THR A . n 
A 1 291 LEU 291 467 467 LEU LEU A . n 
A 1 292 THR 292 468 468 THR THR A . n 
A 1 293 SER 293 469 469 SER SER A . n 
A 1 294 LEU 294 470 470 LEU LEU A . n 
A 1 295 ALA 295 471 471 ALA ALA A . n 
A 1 296 LYS 296 472 472 LYS LYS A . n 
A 1 297 LEU 297 473 473 LEU LEU A . n 
A 1 298 MET 298 474 474 MET MET A . n 
A 1 299 LYS 299 475 475 LYS LYS A . n 
A 1 300 GLU 300 476 476 GLU GLU A . n 
A 1 301 CYS 301 477 477 CYS CYS A . n 
A 1 302 TRP 302 478 478 TRP TRP A . n 
A 1 303 TYR 303 479 479 TYR TYR A . n 
A 1 304 GLN 304 480 480 GLN GLN A . n 
A 1 305 ASN 305 481 481 ASN ASN A . n 
A 1 306 PRO 306 482 482 PRO PRO A . n 
A 1 307 SER 307 483 483 SER SER A . n 
A 1 308 ALA 308 484 484 ALA ALA A . n 
A 1 309 ARG 309 485 485 ARG ARG A . n 
A 1 310 LEU 310 486 486 LEU LEU A . n 
A 1 311 THR 311 487 487 THR THR A . n 
A 1 312 ALA 312 488 488 ALA ALA A . n 
A 1 313 LEU 313 489 489 LEU LEU A . n 
A 1 314 ARG 314 490 490 ARG ARG A . n 
A 1 315 ILE 315 491 491 ILE ILE A . n 
A 1 316 LYS 316 492 492 LYS LYS A . n 
A 1 317 LYS 317 493 493 LYS LYS A . n 
A 1 318 THR 318 494 494 THR THR A . n 
A 1 319 LEU 319 495 495 LEU LEU A . n 
A 1 320 THR 320 496 496 THR THR A . n 
A 1 321 LYS 321 497 497 LYS LYS A . n 
A 1 322 ILE 322 498 498 ILE ILE A . n 
A 1 323 ASP 323 499 499 ASP ASP A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        XQX 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   XQX 
_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 SO4 1   1001 1001 SO4 SO4 A . 
C 2 SO4 1   1002 1002 SO4 SO4 A . 
D 2 SO4 1   1003 1003 SO4 SO4 A . 
E 2 SO4 1   1004 1004 SO4 SO4 A . 
F 2 SO4 1   1005 1005 SO4 SO4 A . 
G 2 SO4 1   1006 1006 SO4 SO4 A . 
H 3 XQX 1   1007 2001 XQX BLU A . 
I 4 HOH 1   1101 9    HOH HOH A . 
I 4 HOH 2   1102 70   HOH HOH A . 
I 4 HOH 3   1103 162  HOH HOH A . 
I 4 HOH 4   1104 144  HOH HOH A . 
I 4 HOH 5   1105 65   HOH HOH A . 
I 4 HOH 6   1106 161  HOH HOH A . 
I 4 HOH 7   1107 64   HOH HOH A . 
I 4 HOH 8   1108 56   HOH HOH A . 
I 4 HOH 9   1109 8    HOH HOH A . 
I 4 HOH 10  1110 84   HOH HOH A . 
I 4 HOH 11  1111 38   HOH HOH A . 
I 4 HOH 12  1112 57   HOH HOH A . 
I 4 HOH 13  1113 81   HOH HOH A . 
I 4 HOH 14  1114 4    HOH HOH A . 
I 4 HOH 15  1115 151  HOH HOH A . 
I 4 HOH 16  1116 23   HOH HOH A . 
I 4 HOH 17  1117 47   HOH HOH A . 
I 4 HOH 18  1118 142  HOH HOH A . 
I 4 HOH 19  1119 98   HOH HOH A . 
I 4 HOH 20  1120 15   HOH HOH A . 
I 4 HOH 21  1121 94   HOH HOH A . 
I 4 HOH 22  1122 80   HOH HOH A . 
I 4 HOH 23  1123 116  HOH HOH A . 
I 4 HOH 24  1124 16   HOH HOH A . 
I 4 HOH 25  1125 163  HOH HOH A . 
I 4 HOH 26  1126 93   HOH HOH A . 
I 4 HOH 27  1127 106  HOH HOH A . 
I 4 HOH 28  1128 48   HOH HOH A . 
I 4 HOH 29  1129 27   HOH HOH A . 
I 4 HOH 30  1130 22   HOH HOH A . 
I 4 HOH 31  1131 97   HOH HOH A . 
I 4 HOH 32  1132 44   HOH HOH A . 
I 4 HOH 33  1133 37   HOH HOH A . 
I 4 HOH 34  1134 107  HOH HOH A . 
I 4 HOH 35  1135 29   HOH HOH A . 
I 4 HOH 36  1136 55   HOH HOH A . 
I 4 HOH 37  1137 108  HOH HOH A . 
I 4 HOH 38  1138 78   HOH HOH A . 
I 4 HOH 39  1139 26   HOH HOH A . 
I 4 HOH 40  1140 53   HOH HOH A . 
I 4 HOH 41  1141 2    HOH HOH A . 
I 4 HOH 42  1142 99   HOH HOH A . 
I 4 HOH 43  1143 5    HOH HOH A . 
I 4 HOH 44  1144 105  HOH HOH A . 
I 4 HOH 45  1145 18   HOH HOH A . 
I 4 HOH 46  1146 86   HOH HOH A . 
I 4 HOH 47  1147 129  HOH HOH A . 
I 4 HOH 48  1148 115  HOH HOH A . 
I 4 HOH 49  1149 160  HOH HOH A . 
I 4 HOH 50  1150 7    HOH HOH A . 
I 4 HOH 51  1151 42   HOH HOH A . 
I 4 HOH 52  1152 11   HOH HOH A . 
I 4 HOH 53  1153 111  HOH HOH A . 
I 4 HOH 54  1154 100  HOH HOH A . 
I 4 HOH 55  1155 125  HOH HOH A . 
I 4 HOH 56  1156 88   HOH HOH A . 
I 4 HOH 57  1157 3    HOH HOH A . 
I 4 HOH 58  1158 122  HOH HOH A . 
I 4 HOH 59  1159 62   HOH HOH A . 
I 4 HOH 60  1160 101  HOH HOH A . 
I 4 HOH 61  1161 75   HOH HOH A . 
I 4 HOH 62  1162 156  HOH HOH A . 
I 4 HOH 63  1163 59   HOH HOH A . 
I 4 HOH 64  1164 128  HOH HOH A . 
I 4 HOH 65  1165 25   HOH HOH A . 
I 4 HOH 66  1166 90   HOH HOH A . 
I 4 HOH 67  1167 41   HOH HOH A . 
I 4 HOH 68  1168 51   HOH HOH A . 
I 4 HOH 69  1169 112  HOH HOH A . 
I 4 HOH 70  1170 30   HOH HOH A . 
I 4 HOH 71  1171 1    HOH HOH A . 
I 4 HOH 72  1172 120  HOH HOH A . 
I 4 HOH 73  1173 17   HOH HOH A . 
I 4 HOH 74  1174 150  HOH HOH A . 
I 4 HOH 75  1175 32   HOH HOH A . 
I 4 HOH 76  1176 10   HOH HOH A . 
I 4 HOH 77  1177 87   HOH HOH A . 
I 4 HOH 78  1178 109  HOH HOH A . 
I 4 HOH 79  1179 35   HOH HOH A . 
I 4 HOH 80  1180 34   HOH HOH A . 
I 4 HOH 81  1181 119  HOH HOH A . 
I 4 HOH 82  1182 46   HOH HOH A . 
I 4 HOH 83  1183 28   HOH HOH A . 
I 4 HOH 84  1184 149  HOH HOH A . 
I 4 HOH 85  1185 159  HOH HOH A . 
I 4 HOH 86  1186 63   HOH HOH A . 
I 4 HOH 87  1187 96   HOH HOH A . 
I 4 HOH 88  1188 135  HOH HOH A . 
I 4 HOH 89  1189 113  HOH HOH A . 
I 4 HOH 90  1190 76   HOH HOH A . 
I 4 HOH 91  1191 6    HOH HOH A . 
I 4 HOH 92  1192 85   HOH HOH A . 
I 4 HOH 93  1193 92   HOH HOH A . 
I 4 HOH 94  1194 43   HOH HOH A . 
I 4 HOH 95  1195 13   HOH HOH A . 
I 4 HOH 96  1196 82   HOH HOH A . 
I 4 HOH 97  1197 134  HOH HOH A . 
I 4 HOH 98  1198 36   HOH HOH A . 
I 4 HOH 99  1199 103  HOH HOH A . 
I 4 HOH 100 1200 73   HOH HOH A . 
I 4 HOH 101 1201 31   HOH HOH A . 
I 4 HOH 102 1202 140  HOH HOH A . 
I 4 HOH 103 1203 71   HOH HOH A . 
I 4 HOH 104 1204 154  HOH HOH A . 
I 4 HOH 105 1205 95   HOH HOH A . 
I 4 HOH 106 1206 138  HOH HOH A . 
I 4 HOH 107 1207 91   HOH HOH A . 
I 4 HOH 108 1208 66   HOH HOH A . 
I 4 HOH 109 1209 136  HOH HOH A . 
I 4 HOH 110 1210 152  HOH HOH A . 
I 4 HOH 111 1211 79   HOH HOH A . 
I 4 HOH 112 1212 117  HOH HOH A . 
I 4 HOH 113 1213 69   HOH HOH A . 
I 4 HOH 114 1214 124  HOH HOH A . 
I 4 HOH 115 1215 130  HOH HOH A . 
I 4 HOH 116 1216 118  HOH HOH A . 
I 4 HOH 117 1217 20   HOH HOH A . 
I 4 HOH 118 1218 58   HOH HOH A . 
I 4 HOH 119 1219 52   HOH HOH A . 
I 4 HOH 120 1220 24   HOH HOH A . 
I 4 HOH 121 1221 19   HOH HOH A . 
I 4 HOH 122 1222 74   HOH HOH A . 
I 4 HOH 123 1223 148  HOH HOH A . 
I 4 HOH 124 1224 143  HOH HOH A . 
I 4 HOH 125 1225 104  HOH HOH A . 
I 4 HOH 126 1226 67   HOH HOH A . 
I 4 HOH 127 1227 110  HOH HOH A . 
I 4 HOH 128 1228 33   HOH HOH A . 
I 4 HOH 129 1229 153  HOH HOH A . 
I 4 HOH 130 1230 83   HOH HOH A . 
I 4 HOH 131 1231 61   HOH HOH A . 
I 4 HOH 132 1232 121  HOH HOH A . 
I 4 HOH 133 1233 126  HOH HOH A . 
I 4 HOH 134 1234 45   HOH HOH A . 
I 4 HOH 135 1235 158  HOH HOH A . 
I 4 HOH 136 1236 89   HOH HOH A . 
I 4 HOH 137 1237 72   HOH HOH A . 
I 4 HOH 138 1238 146  HOH HOH A . 
I 4 HOH 139 1239 21   HOH HOH A . 
I 4 HOH 140 1240 12   HOH HOH A . 
I 4 HOH 141 1241 157  HOH HOH A . 
I 4 HOH 142 1242 14   HOH HOH A . 
I 4 HOH 143 1243 133  HOH HOH A . 
I 4 HOH 144 1244 60   HOH HOH A . 
I 4 HOH 145 1245 155  HOH HOH A . 
I 4 HOH 146 1246 123  HOH HOH A . 
I 4 HOH 147 1247 137  HOH HOH A . 
I 4 HOH 148 1248 68   HOH HOH A . 
I 4 HOH 149 1249 132  HOH HOH A . 
I 4 HOH 150 1250 139  HOH HOH A . 
I 4 HOH 151 1251 39   HOH HOH A . 
I 4 HOH 152 1252 131  HOH HOH A . 
I 4 HOH 153 1253 54   HOH HOH A . 
I 4 HOH 154 1254 77   HOH HOH A . 
I 4 HOH 155 1255 102  HOH HOH A . 
I 4 HOH 156 1256 127  HOH HOH A . 
I 4 HOH 157 1257 49   HOH HOH A . 
I 4 HOH 158 1258 40   HOH HOH A . 
I 4 HOH 159 1259 141  HOH HOH A . 
I 4 HOH 160 1260 50   HOH HOH A . 
I 4 HOH 161 1261 147  HOH HOH A . 
I 4 HOH 162 1262 114  HOH HOH A . 
I 4 HOH 163 1263 145  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 ? ? ? 5.8.0123 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? SCALA  ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .        4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8UWR 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     51.610 
_cell.length_a_esd                 ? 
_cell.length_b                     66.360 
_cell.length_b_esd                 ? 
_cell.length_c                     162.140 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         8UWR 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                23 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'I 2 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8UWR 
_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             1.87 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          34.32 
_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, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_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    '1.5 M Ammonium Sulphate, 0.1 M Sodium Citrate, pH 5.6' 
_exptl_crystal_grow.pdbx_pH_range   5.6-7.5 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     110 
_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                      'Osmic mirrors' 
_diffrn_detector.detector                     'IMAGE PLATE' 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'MAR scanner 345 mm plate' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2016-11-15 
_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   1.5418 
_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                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'BRUKER AXS MICROSTAR' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.5418 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8UWR 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.04 
_reflns.d_resolution_low                               20 
_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                                     16767 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           93 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                2.5 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          4.8 
_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                                0.148 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.04 
_reflns_shell.d_res_low                                     2.15 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.2 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             2500 
_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                               2.4 
_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                               0.703 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          95.8 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -0.03 
_refine.aniso_B[1][2]                            0.00 
_refine.aniso_B[1][3]                            -0.00 
_refine.aniso_B[2][2]                            -0.09 
_refine.aniso_B[2][3]                            -0.00 
_refine.aniso_B[3][3]                            0.12 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               39.804 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.954 
_refine.correlation_coeff_Fo_to_Fc_free          0.909 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8UWR 
_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                            2.04 
_refine.ls_d_res_low                             20.00 
_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                     15959 
_refine.ls_number_reflns_R_free                  807 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    92.03 
_refine.ls_percent_reflns_R_free                 4.8 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.21439 
_refine.ls_R_factor_R_free                       0.28071 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.21080 
_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 
_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          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.314 
_refine.pdbx_overall_ESU_R_Free                  0.243 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_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                             19.937 
_refine.overall_SU_ML                            0.267 
_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                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.04 
_refine_hist.d_res_low                        20.00 
_refine_hist.number_atoms_solvent             163 
_refine_hist.number_atoms_total               2614 
_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        2389 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         62 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.012  0.019  2511 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.020  2374 ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.610  1.975  3415 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 1.013  3.000  5458 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 6.795  5.000  300  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 36.366 23.482 112  ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 16.546 15.000 435  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? 18.297 15.000 19   ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.096  0.200  380  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.007  0.020  2782 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.020  584  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 1.771  2.104  1192 ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 1.770  2.107  1193 ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 2.901  3.141  1488 ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 2.901  3.143  1489 ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 2.078  2.360  1318 ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 2.077  2.362  1319 ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 3.197  3.469  1923 ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 8.302  18.020 3080 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 8.183  17.627 3028 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       2.040 
_refine_ls_shell.d_res_low                        2.093 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             56 
_refine_ls_shell.number_reflns_R_work             1197 
_refine_ls_shell.percent_reflns_obs               95.29 
_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                  0.356 
_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   20 
_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                  0.349 
# 
_struct.entry_id                     8UWR 
_struct.title                        'Crystal structure of human ACVR1 (ALK2) kinase in complex with compound 3' 
_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        8UWR 
_struct_keywords.text            'Kinase, Inhibitor, Transferase, SIGNALING PROTEIN' 
_struct_keywords.pdbx_keywords   'SIGNALING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 2 ? 
E N N 2 ? 
F N N 2 ? 
G N N 2 ? 
H N N 3 ? 
I N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    ACVR1_HUMAN 
_struct_ref.pdbx_db_accession          Q04771 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;QRTVARQITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVMLRHENILGFIASDMTSRHSSTQLW
LITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFGTQGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVM
HSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPS
FEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
;
_struct_ref.pdbx_align_begin           201 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8UWR 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 25 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 323 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q04771 
_struct_ref_seq.db_align_beg                  201 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  499 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       201 
_struct_ref_seq.pdbx_auth_seq_align_end       499 
# 
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 8UWR MET A 1  ? UNP Q04771 ?   ?   'initiating methionine' 177 1  
1 8UWR GLY A 2  ? UNP Q04771 ?   ?   'expression tag'        178 2  
1 8UWR HIS A 3  ? UNP Q04771 ?   ?   'expression tag'        179 3  
1 8UWR HIS A 4  ? UNP Q04771 ?   ?   'expression tag'        180 4  
1 8UWR HIS A 5  ? UNP Q04771 ?   ?   'expression tag'        181 5  
1 8UWR HIS A 6  ? UNP Q04771 ?   ?   'expression tag'        182 6  
1 8UWR HIS A 7  ? UNP Q04771 ?   ?   'expression tag'        183 7  
1 8UWR HIS A 8  ? UNP Q04771 ?   ?   'expression tag'        184 8  
1 8UWR SER A 9  ? UNP Q04771 ?   ?   'expression tag'        185 9  
1 8UWR SER A 10 ? UNP Q04771 ?   ?   'expression tag'        186 10 
1 8UWR GLY A 11 ? UNP Q04771 ?   ?   'expression tag'        187 11 
1 8UWR VAL A 12 ? UNP Q04771 ?   ?   'expression tag'        188 12 
1 8UWR ASP A 13 ? UNP Q04771 ?   ?   'expression tag'        189 13 
1 8UWR LEU A 14 ? UNP Q04771 ?   ?   'expression tag'        190 14 
1 8UWR GLY A 15 ? UNP Q04771 ?   ?   'expression tag'        191 15 
1 8UWR THR A 16 ? UNP Q04771 ?   ?   'expression tag'        192 16 
1 8UWR GLU A 17 ? UNP Q04771 ?   ?   'expression tag'        193 17 
1 8UWR ASN A 18 ? UNP Q04771 ?   ?   'expression tag'        194 18 
1 8UWR LEU A 19 ? UNP Q04771 ?   ?   'expression tag'        195 19 
1 8UWR TYR A 20 ? UNP Q04771 ?   ?   'expression tag'        196 20 
1 8UWR PHE A 21 ? UNP Q04771 ?   ?   'expression tag'        197 21 
1 8UWR GLN A 22 ? UNP Q04771 ?   ?   'expression tag'        198 22 
1 8UWR SER A 23 ? UNP Q04771 ?   ?   'expression tag'        199 23 
1 8UWR MET A 24 ? UNP Q04771 ?   ?   'expression tag'        200 24 
1 8UWR ASP A 31 ? UNP Q04771 GLN 207 'engineered mutation'   207 25 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I 
# 
_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 THR A 27  ? ASP A 31  ? THR A 203 ASP A 207 1 ? 5  
HELX_P HELX_P2  AA2 ASP A 65  ? VAL A 79  ? ASP A 241 VAL A 255 1 ? 15 
HELX_P HELX_P3  AA3 SER A 114 ? THR A 122 ? SER A 290 THR A 298 1 ? 9  
HELX_P HELX_P4  AA4 ASP A 125 ? ILE A 145 ? ASP A 301 ILE A 321 1 ? 21 
HELX_P HELX_P5  AA5 ALA A 207 ? ASP A 212 ? ALA A 383 ASP A 388 1 ? 6  
HELX_P HELX_P6  AA6 CYS A 219 ? ARG A 240 ? CYS A 395 ARG A 416 1 ? 22 
HELX_P HELX_P7  AA7 SER A 264 ? CYS A 273 ? SER A 440 CYS A 449 1 ? 10 
HELX_P HELX_P8  AA8 PRO A 282 ? SER A 287 ? PRO A 458 SER A 463 5 ? 6  
HELX_P HELX_P9  AA9 ASP A 288 ? GLU A 300 ? ASP A 464 GLU A 476 1 ? 13 
HELX_P HELX_P10 AB1 ASN A 305 ? ARG A 309 ? ASN A 481 ARG A 485 5 ? 5  
HELX_P HELX_P11 AB2 THR A 311 ? ILE A 322 ? THR A 487 ILE A 498 1 ? 12 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 5 ? 
AA2 ? 3 ? 
AA3 ? 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 
AA2 2 3 ? anti-parallel 
AA3 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 32  ? GLY A 41  ? ILE A 208 GLY A 217 
AA1 2 GLY A 44  ? TRP A 51  ? GLY A 220 TRP A 227 
AA1 3 GLU A 54  ? PHE A 61  ? GLU A 230 PHE A 237 
AA1 4 THR A 101 ? HIS A 108 ? THR A 277 HIS A 284 
AA1 5 PHE A 89  ? SER A 96  ? PHE A 265 SER A 272 
AA2 1 ALA A 155 ? ALA A 157 ? ALA A 331 ALA A 333 
AA2 2 VAL A 183 ? SER A 186 ? VAL A 359 SER A 362 
AA2 3 GLN A 191 ? ASP A 193 ? GLN A 367 ASP A 369 
AA3 1 ILE A 166 ? VAL A 168 ? ILE A 342 VAL A 344 
AA3 2 CYS A 174 ? ILE A 176 ? CYS A 350 ILE A 352 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N GLU A 36  ? N GLU A 212 O ARG A 48  ? O ARG A 224 
AA1 2 3 N GLU A 45  ? N GLU A 221 O ILE A 60  ? O ILE A 236 
AA1 3 4 N ALA A 57  ? N ALA A 233 O THR A 107 ? O THR A 283 
AA1 4 5 O GLN A 102 ? O GLN A 278 N THR A 95  ? N THR A 271 
AA2 1 2 N ALA A 157 ? N ALA A 333 O VAL A 183 ? O VAL A 359 
AA2 2 3 N MET A 184 ? N MET A 360 O ASP A 193 ? O ASP A 369 
AA3 1 2 N LEU A 167 ? N LEU A 343 O CYS A 175 ? O CYS A 351 
# 
_pdbx_entry_details.entry_id                   8UWR 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    1101 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    1148 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             1.92 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     1136 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     1136 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   2_455 
_pdbx_validate_symm_contact.dist              2.12 
# 
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 ARG A 258 ? ? -34.32  120.38  
2 1 HIS A 274 ? ? 69.13   -122.98 
3 1 HIS A 284 ? ? -46.69  153.44  
4 1 ASP A 336 ? ? -167.12 40.80   
5 1 ASN A 347 ? ? -67.81  0.31    
6 1 ASP A 354 ? ? 71.58   63.25   
7 1 ASN A 372 ? ? -150.04 49.09   
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A SO4 1003 ? D SO4 . 
2 1 A SO4 1004 ? E SO4 . 
# 
_pdbx_refine_tls.id               1 
_pdbx_refine_tls.pdbx_refine_id   'X-RAY DIFFRACTION' 
_pdbx_refine_tls.details          ? 
_pdbx_refine_tls.method           refined 
_pdbx_refine_tls.origin_x         -17.6290 
_pdbx_refine_tls.origin_y         -15.7750 
_pdbx_refine_tls.origin_z         -21.5850 
_pdbx_refine_tls.T[1][1]          0.0031 
_pdbx_refine_tls.T[1][1]_esd      ? 
_pdbx_refine_tls.T[1][2]          0.0094 
_pdbx_refine_tls.T[1][2]_esd      ? 
_pdbx_refine_tls.T[1][3]          -0.0038 
_pdbx_refine_tls.T[1][3]_esd      ? 
_pdbx_refine_tls.T[2][2]          0.3419 
_pdbx_refine_tls.T[2][2]_esd      ? 
_pdbx_refine_tls.T[2][3]          0.0165 
_pdbx_refine_tls.T[2][3]_esd      ? 
_pdbx_refine_tls.T[3][3]          0.0127 
_pdbx_refine_tls.T[3][3]_esd      ? 
_pdbx_refine_tls.L[1][1]          2.0117 
_pdbx_refine_tls.L[1][1]_esd      ? 
_pdbx_refine_tls.L[1][2]          0.0234 
_pdbx_refine_tls.L[1][2]_esd      ? 
_pdbx_refine_tls.L[1][3]          -0.6984 
_pdbx_refine_tls.L[1][3]_esd      ? 
_pdbx_refine_tls.L[2][2]          0.7857 
_pdbx_refine_tls.L[2][2]_esd      ? 
_pdbx_refine_tls.L[2][3]          0.1403 
_pdbx_refine_tls.L[2][3]_esd      ? 
_pdbx_refine_tls.L[3][3]          1.6938 
_pdbx_refine_tls.L[3][3]_esd      ? 
_pdbx_refine_tls.S[1][1]          -0.0166 
_pdbx_refine_tls.S[1][1]_esd      ? 
_pdbx_refine_tls.S[1][2]          0.0323 
_pdbx_refine_tls.S[1][2]_esd      ? 
_pdbx_refine_tls.S[1][3]          0.1100 
_pdbx_refine_tls.S[1][3]_esd      ? 
_pdbx_refine_tls.S[2][1]          0.0222 
_pdbx_refine_tls.S[2][1]_esd      ? 
_pdbx_refine_tls.S[2][2]          0.0085 
_pdbx_refine_tls.S[2][2]_esd      ? 
_pdbx_refine_tls.S[2][3]          -0.0433 
_pdbx_refine_tls.S[2][3]_esd      ? 
_pdbx_refine_tls.S[3][1]          -0.0436 
_pdbx_refine_tls.S[3][1]_esd      ? 
_pdbx_refine_tls.S[3][2]          0.0152 
_pdbx_refine_tls.S[3][2]_esd      ? 
_pdbx_refine_tls.S[3][3]          0.0081 
_pdbx_refine_tls.S[3][3]_esd      ? 
# 
_pdbx_refine_tls_group.id                  1 
_pdbx_refine_tls_group.pdbx_refine_id      'X-RAY DIFFRACTION' 
_pdbx_refine_tls_group.refine_tls_id       1 
_pdbx_refine_tls_group.beg_label_asym_id   ? 
_pdbx_refine_tls_group.beg_label_seq_id    ? 
_pdbx_refine_tls_group.beg_auth_asym_id    A 
_pdbx_refine_tls_group.beg_auth_seq_id     203 
_pdbx_refine_tls_group.beg_PDB_ins_code    ? 
_pdbx_refine_tls_group.end_label_asym_id   ? 
_pdbx_refine_tls_group.end_label_seq_id    ? 
_pdbx_refine_tls_group.end_auth_asym_id    A 
_pdbx_refine_tls_group.end_auth_seq_id     499 
_pdbx_refine_tls_group.end_PDB_ins_code    ? 
_pdbx_refine_tls_group.selection           ? 
_pdbx_refine_tls_group.selection_details   ? 
# 
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 MET 177 ? A MET 1  
2  1 Y 1 A GLY 178 ? A GLY 2  
3  1 Y 1 A HIS 179 ? A HIS 3  
4  1 Y 1 A HIS 180 ? A HIS 4  
5  1 Y 1 A HIS 181 ? A HIS 5  
6  1 Y 1 A HIS 182 ? A HIS 6  
7  1 Y 1 A HIS 183 ? A HIS 7  
8  1 Y 1 A HIS 184 ? A HIS 8  
9  1 Y 1 A SER 185 ? A SER 9  
10 1 Y 1 A SER 186 ? A SER 10 
11 1 Y 1 A GLY 187 ? A GLY 11 
12 1 Y 1 A VAL 188 ? A VAL 12 
13 1 Y 1 A ASP 189 ? A ASP 13 
14 1 Y 1 A LEU 190 ? A LEU 14 
15 1 Y 1 A GLY 191 ? A GLY 15 
16 1 Y 1 A THR 192 ? A THR 16 
17 1 Y 1 A GLU 193 ? A GLU 17 
18 1 Y 1 A ASN 194 ? A ASN 18 
19 1 Y 1 A LEU 195 ? A LEU 19 
20 1 Y 1 A TYR 196 ? A TYR 20 
21 1 Y 1 A PHE 197 ? A PHE 21 
22 1 Y 1 A GLN 198 ? A GLN 22 
23 1 Y 1 A SER 199 ? A SER 23 
24 1 Y 1 A MET 200 ? A MET 24 
25 1 Y 1 A GLN 201 ? A GLN 25 
26 1 Y 1 A ARG 202 ? A ARG 26 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
LEU N    N N N 183 
LEU CA   C N S 184 
LEU C    C N N 185 
LEU O    O N N 186 
LEU CB   C N N 187 
LEU CG   C N N 188 
LEU CD1  C N N 189 
LEU CD2  C N N 190 
LEU OXT  O N N 191 
LEU H    H N N 192 
LEU H2   H N N 193 
LEU HA   H N N 194 
LEU HB2  H N N 195 
LEU HB3  H N N 196 
LEU HG   H N N 197 
LEU HD11 H N N 198 
LEU HD12 H N N 199 
LEU HD13 H N N 200 
LEU HD21 H N N 201 
LEU HD22 H N N 202 
LEU HD23 H N N 203 
LEU HXT  H N N 204 
LYS N    N N N 205 
LYS CA   C N S 206 
LYS C    C N N 207 
LYS O    O N N 208 
LYS CB   C N N 209 
LYS CG   C N N 210 
LYS CD   C N N 211 
LYS CE   C N N 212 
LYS NZ   N N N 213 
LYS OXT  O N N 214 
LYS H    H N N 215 
LYS H2   H N N 216 
LYS HA   H N N 217 
LYS HB2  H N N 218 
LYS HB3  H N N 219 
LYS HG2  H N N 220 
LYS HG3  H N N 221 
LYS HD2  H N N 222 
LYS HD3  H N N 223 
LYS HE2  H N N 224 
LYS HE3  H N N 225 
LYS HZ1  H N N 226 
LYS HZ2  H N N 227 
LYS HZ3  H N N 228 
LYS HXT  H N N 229 
MET N    N N N 230 
MET CA   C N S 231 
MET C    C N N 232 
MET O    O N N 233 
MET CB   C N N 234 
MET CG   C N N 235 
MET SD   S N N 236 
MET CE   C N N 237 
MET OXT  O N N 238 
MET H    H N N 239 
MET H2   H N N 240 
MET HA   H N N 241 
MET HB2  H N N 242 
MET HB3  H N N 243 
MET HG2  H N N 244 
MET HG3  H N N 245 
MET HE1  H N N 246 
MET HE2  H N N 247 
MET HE3  H N N 248 
MET HXT  H N N 249 
PHE N    N N N 250 
PHE CA   C N S 251 
PHE C    C N N 252 
PHE O    O N N 253 
PHE CB   C N N 254 
PHE CG   C Y N 255 
PHE CD1  C Y N 256 
PHE CD2  C Y N 257 
PHE CE1  C Y N 258 
PHE CE2  C Y N 259 
PHE CZ   C Y N 260 
PHE OXT  O N N 261 
PHE H    H N N 262 
PHE H2   H N N 263 
PHE HA   H N N 264 
PHE HB2  H N N 265 
PHE HB3  H N N 266 
PHE HD1  H N N 267 
PHE HD2  H N N 268 
PHE HE1  H N N 269 
PHE HE2  H N N 270 
PHE HZ   H N N 271 
PHE HXT  H N N 272 
PRO N    N N N 273 
PRO CA   C N S 274 
PRO C    C N N 275 
PRO O    O N N 276 
PRO CB   C N N 277 
PRO CG   C N N 278 
PRO CD   C N N 279 
PRO OXT  O N N 280 
PRO H    H N N 281 
PRO HA   H N N 282 
PRO HB2  H N N 283 
PRO HB3  H N N 284 
PRO HG2  H N N 285 
PRO HG3  H N N 286 
PRO HD2  H N N 287 
PRO HD3  H N N 288 
PRO HXT  H N N 289 
SER N    N N N 290 
SER CA   C N S 291 
SER C    C N N 292 
SER O    O N N 293 
SER CB   C N N 294 
SER OG   O N N 295 
SER OXT  O N N 296 
SER H    H N N 297 
SER H2   H N N 298 
SER HA   H N N 299 
SER HB2  H N N 300 
SER HB3  H N N 301 
SER HG   H N N 302 
SER HXT  H N N 303 
SO4 S    S N N 304 
SO4 O1   O N N 305 
SO4 O2   O N N 306 
SO4 O3   O N N 307 
SO4 O4   O N N 308 
THR N    N N N 309 
THR CA   C N S 310 
THR C    C N N 311 
THR O    O N N 312 
THR CB   C N R 313 
THR OG1  O N N 314 
THR CG2  C N N 315 
THR OXT  O N N 316 
THR H    H N N 317 
THR H2   H N N 318 
THR HA   H N N 319 
THR HB   H N N 320 
THR HG1  H N N 321 
THR HG21 H N N 322 
THR HG22 H N N 323 
THR HG23 H N N 324 
THR HXT  H N N 325 
TRP N    N N N 326 
TRP CA   C N S 327 
TRP C    C N N 328 
TRP O    O N N 329 
TRP CB   C N N 330 
TRP CG   C Y N 331 
TRP CD1  C Y N 332 
TRP CD2  C Y N 333 
TRP NE1  N Y N 334 
TRP CE2  C Y N 335 
TRP CE3  C Y N 336 
TRP CZ2  C Y N 337 
TRP CZ3  C Y N 338 
TRP CH2  C Y N 339 
TRP OXT  O N N 340 
TRP H    H N N 341 
TRP H2   H N N 342 
TRP HA   H N N 343 
TRP HB2  H N N 344 
TRP HB3  H N N 345 
TRP HD1  H N N 346 
TRP HE1  H N N 347 
TRP HE3  H N N 348 
TRP HZ2  H N N 349 
TRP HZ3  H N N 350 
TRP HH2  H N N 351 
TRP HXT  H N N 352 
TYR N    N N N 353 
TYR CA   C N S 354 
TYR C    C N N 355 
TYR O    O N N 356 
TYR CB   C N N 357 
TYR CG   C Y N 358 
TYR CD1  C Y N 359 
TYR CD2  C Y N 360 
TYR CE1  C Y N 361 
TYR CE2  C Y N 362 
TYR CZ   C Y N 363 
TYR OH   O N N 364 
TYR OXT  O N N 365 
TYR H    H N N 366 
TYR H2   H N N 367 
TYR HA   H N N 368 
TYR HB2  H N N 369 
TYR HB3  H N N 370 
TYR HD1  H N N 371 
TYR HD2  H N N 372 
TYR HE1  H N N 373 
TYR HE2  H N N 374 
TYR HH   H N N 375 
TYR HXT  H N N 376 
VAL N    N N N 377 
VAL CA   C N S 378 
VAL C    C N N 379 
VAL O    O N N 380 
VAL CB   C N N 381 
VAL CG1  C N N 382 
VAL CG2  C N N 383 
VAL OXT  O N N 384 
VAL H    H N N 385 
VAL H2   H N N 386 
VAL HA   H N N 387 
VAL HB   H N N 388 
VAL HG11 H N N 389 
VAL HG12 H N N 390 
VAL HG13 H N N 391 
VAL HG21 H N N 392 
VAL HG22 H N N 393 
VAL HG23 H N N 394 
VAL HXT  H N N 395 
XQX O    O N N 396 
XQX C21  C N N 397 
XQX C22  C N N 398 
XQX C24  C N N 399 
XQX C23  C N N 400 
XQX N4   N N N 401 
XQX C17  C N N 402 
XQX C19  C N N 403 
XQX C20  C N N 404 
XQX N5   N N N 405 
XQX C18  C N N 406 
XQX C12  C Y N 407 
XQX C10  C Y N 408 
XQX C13  C Y N 409 
XQX C14  C Y N 410 
XQX C15  C Y N 411 
XQX C16  C Y N 412 
XQX N3   N Y N 413 
XQX N2   N Y N 414 
XQX C11  C Y N 415 
XQX C4   C Y N 416 
XQX C6   C Y N 417 
XQX C8   C Y N 418 
XQX C9   C Y N 419 
XQX C7   C Y N 420 
XQX C5   C Y N 421 
XQX N    N N N 422 
XQX C1   C N N 423 
XQX C3   C N N 424 
XQX N1   N N N 425 
XQX C2   C N N 426 
XQX C    C N N 427 
XQX H1   H N N 428 
XQX H2   H N N 429 
XQX H3   H N N 430 
XQX H4   H N N 431 
XQX H5   H N N 432 
XQX H6   H N N 433 
XQX H7   H N N 434 
XQX H8   H N N 435 
XQX H9   H N N 436 
XQX H10  H N N 437 
XQX H11  H N N 438 
XQX H12  H N N 439 
XQX H13  H N N 440 
XQX H14  H N N 441 
XQX H15  H N N 442 
XQX H16  H N N 443 
XQX H17  H N N 444 
XQX H18  H N N 445 
XQX H19  H N N 446 
XQX H20  H N N 447 
XQX H21  H N N 448 
XQX H22  H N N 449 
XQX H23  H N N 450 
XQX H24  H N N 451 
XQX H25  H N N 452 
XQX H26  H N N 453 
XQX H28  H N N 454 
XQX H29  H N N 455 
XQX H30  H N N 456 
XQX H31  H N N 457 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
SO4 S   O1   doub N N 290 
SO4 S   O2   doub N N 291 
SO4 S   O3   sing N N 292 
SO4 S   O4   sing N N 293 
THR N   CA   sing N N 294 
THR N   H    sing N N 295 
THR N   H2   sing N N 296 
THR CA  C    sing N N 297 
THR CA  CB   sing N N 298 
THR CA  HA   sing N N 299 
THR C   O    doub N N 300 
THR C   OXT  sing N N 301 
THR CB  OG1  sing N N 302 
THR CB  CG2  sing N N 303 
THR CB  HB   sing N N 304 
THR OG1 HG1  sing N N 305 
THR CG2 HG21 sing N N 306 
THR CG2 HG22 sing N N 307 
THR CG2 HG23 sing N N 308 
THR OXT HXT  sing N N 309 
TRP N   CA   sing N N 310 
TRP N   H    sing N N 311 
TRP N   H2   sing N N 312 
TRP CA  C    sing N N 313 
TRP CA  CB   sing N N 314 
TRP CA  HA   sing N N 315 
TRP C   O    doub N N 316 
TRP C   OXT  sing N N 317 
TRP CB  CG   sing N N 318 
TRP CB  HB2  sing N N 319 
TRP CB  HB3  sing N N 320 
TRP CG  CD1  doub Y N 321 
TRP CG  CD2  sing Y N 322 
TRP CD1 NE1  sing Y N 323 
TRP CD1 HD1  sing N N 324 
TRP CD2 CE2  doub Y N 325 
TRP CD2 CE3  sing Y N 326 
TRP NE1 CE2  sing Y N 327 
TRP NE1 HE1  sing N N 328 
TRP CE2 CZ2  sing Y N 329 
TRP CE3 CZ3  doub Y N 330 
TRP CE3 HE3  sing N N 331 
TRP CZ2 CH2  doub Y N 332 
TRP CZ2 HZ2  sing N N 333 
TRP CZ3 CH2  sing Y N 334 
TRP CZ3 HZ3  sing N N 335 
TRP CH2 HH2  sing N N 336 
TRP OXT HXT  sing N N 337 
TYR N   CA   sing N N 338 
TYR N   H    sing N N 339 
TYR N   H2   sing N N 340 
TYR CA  C    sing N N 341 
TYR CA  CB   sing N N 342 
TYR CA  HA   sing N N 343 
TYR C   O    doub N N 344 
TYR C   OXT  sing N N 345 
TYR CB  CG   sing N N 346 
TYR CB  HB2  sing N N 347 
TYR CB  HB3  sing N N 348 
TYR CG  CD1  doub Y N 349 
TYR CG  CD2  sing Y N 350 
TYR CD1 CE1  sing Y N 351 
TYR CD1 HD1  sing N N 352 
TYR CD2 CE2  doub Y N 353 
TYR CD2 HD2  sing N N 354 
TYR CE1 CZ   doub Y N 355 
TYR CE1 HE1  sing N N 356 
TYR CE2 CZ   sing Y N 357 
TYR CE2 HE2  sing N N 358 
TYR CZ  OH   sing N N 359 
TYR OH  HH   sing N N 360 
TYR OXT HXT  sing N N 361 
VAL N   CA   sing N N 362 
VAL N   H    sing N N 363 
VAL N   H2   sing N N 364 
VAL CA  C    sing N N 365 
VAL CA  CB   sing N N 366 
VAL CA  HA   sing N N 367 
VAL C   O    doub N N 368 
VAL C   OXT  sing N N 369 
VAL CB  CG1  sing N N 370 
VAL CB  CG2  sing N N 371 
VAL CB  HB   sing N N 372 
VAL CG1 HG11 sing N N 373 
VAL CG1 HG12 sing N N 374 
VAL CG1 HG13 sing N N 375 
VAL CG2 HG21 sing N N 376 
VAL CG2 HG22 sing N N 377 
VAL CG2 HG23 sing N N 378 
VAL OXT HXT  sing N N 379 
XQX C2  N1   sing N N 380 
XQX C2  C    sing N N 381 
XQX N1  C3   sing N N 382 
XQX C   N    sing N N 383 
XQX C3  C1   sing N N 384 
XQX N   C1   sing N N 385 
XQX N   C9   sing N N 386 
XQX C9  C7   doub Y N 387 
XQX C9  C8   sing Y N 388 
XQX C7  C5   sing Y N 389 
XQX C8  C6   doub Y N 390 
XQX C5  C4   doub Y N 391 
XQX C6  C4   sing Y N 392 
XQX C4  C15  sing N N 393 
XQX C15 C16  doub Y N 394 
XQX C15 C14  sing Y N 395 
XQX C16 N3   sing Y N 396 
XQX C14 C13  doub Y N 397 
XQX N3  C13  sing Y N 398 
XQX N3  N2   sing Y N 399 
XQX C13 C12  sing Y N 400 
XQX N2  C11  doub Y N 401 
XQX C20 C19  sing N N 402 
XQX C20 N5   sing N N 403 
XQX C19 N4   sing N N 404 
XQX C12 N5   sing N N 405 
XQX C12 C10  doub Y N 406 
XQX C11 C10  sing Y N 407 
XQX N5  C18  sing N N 408 
XQX C23 C22  sing N N 409 
XQX C23 C24  sing N N 410 
XQX C22 C24  sing N N 411 
XQX C22 C21  sing N N 412 
XQX N4  C21  sing N N 413 
XQX N4  C17  sing N N 414 
XQX C21 O    doub N N 415 
XQX C18 C17  sing N N 416 
XQX C22 H1   sing N N 417 
XQX C24 H2   sing N N 418 
XQX C24 H3   sing N N 419 
XQX C23 H4   sing N N 420 
XQX C23 H5   sing N N 421 
XQX C17 H6   sing N N 422 
XQX C17 H7   sing N N 423 
XQX C19 H8   sing N N 424 
XQX C19 H9   sing N N 425 
XQX C20 H10  sing N N 426 
XQX C20 H11  sing N N 427 
XQX C18 H12  sing N N 428 
XQX C18 H13  sing N N 429 
XQX C10 H14  sing N N 430 
XQX C14 H15  sing N N 431 
XQX C16 H16  sing N N 432 
XQX C11 H17  sing N N 433 
XQX C6  H18  sing N N 434 
XQX C8  H19  sing N N 435 
XQX C7  H20  sing N N 436 
XQX C5  H21  sing N N 437 
XQX C1  H22  sing N N 438 
XQX C1  H23  sing N N 439 
XQX C3  H24  sing N N 440 
XQX C3  H25  sing N N 441 
XQX N1  H26  sing N N 442 
XQX C2  H28  sing N N 443 
XQX C2  H29  sing N N 444 
XQX C   H30  sing N N 445 
XQX C   H31  sing N N 446 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   3Q4U 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8UWR 
_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]   0.019376 
_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]   0.015069 
_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]   0.006168 
_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 
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   . THR A 1 27  ? -40.784 -16.458 -1.041  1.00 72.05  ? 203  THR A N   1 
ATOM   2    C CA  . THR A 1 27  ? -39.659 -15.925 -1.865  1.00 71.54  ? 203  THR A CA  1 
ATOM   3    C C   . THR A 1 27  ? -39.980 -15.908 -3.361  1.00 69.99  ? 203  THR A C   1 
ATOM   4    O O   . THR A 1 27  ? -41.074 -16.322 -3.786  1.00 72.49  ? 203  THR A O   1 
ATOM   5    C CB  . THR A 1 27  ? -38.378 -16.758 -1.667  1.00 74.73  ? 203  THR A CB  1 
ATOM   6    O OG1 . THR A 1 27  ? -38.607 -18.113 -2.087  1.00 72.47  ? 203  THR A OG1 1 
ATOM   7    C CG2 . THR A 1 27  ? -37.912 -16.727 -0.222  1.00 76.37  ? 203  THR A CG2 1 
ATOM   8    N N   . VAL A 1 28  ? -39.027 -15.410 -4.148  1.00 63.02  ? 204  VAL A N   1 
ATOM   9    C CA  . VAL A 1 28  ? -39.120 -15.432 -5.613  1.00 57.49  ? 204  VAL A CA  1 
ATOM   10   C C   . VAL A 1 28  ? -39.231 -16.881 -6.139  1.00 51.93  ? 204  VAL A C   1 
ATOM   11   O O   . VAL A 1 28  ? -40.080 -17.156 -6.993  1.00 47.14  ? 204  VAL A O   1 
ATOM   12   C CB  . VAL A 1 28  ? -37.953 -14.630 -6.258  1.00 56.90  ? 204  VAL A CB  1 
ATOM   13   C CG1 . VAL A 1 28  ? -37.853 -14.857 -7.766  1.00 53.54  ? 204  VAL A CG1 1 
ATOM   14   C CG2 . VAL A 1 28  ? -38.118 -13.138 -5.959  1.00 57.86  ? 204  VAL A CG2 1 
ATOM   15   N N   . ALA A 1 29  ? -38.439 -17.802 -5.584  1.00 47.28  ? 205  ALA A N   1 
ATOM   16   C CA  . ALA A 1 29  ? -38.409 -19.214 -6.047  1.00 45.21  ? 205  ALA A CA  1 
ATOM   17   C C   . ALA A 1 29  ? -39.781 -19.866 -6.094  1.00 45.09  ? 205  ALA A C   1 
ATOM   18   O O   . ALA A 1 29  ? -40.112 -20.582 -7.046  1.00 38.89  ? 205  ALA A O   1 
ATOM   19   C CB  . ALA A 1 29  ? -37.517 -20.053 -5.159  1.00 44.32  ? 205  ALA A CB  1 
ATOM   20   N N   . ARG A 1 30  ? -40.556 -19.648 -5.036  1.00 45.84  ? 206  ARG A N   1 
ATOM   21   C CA  . ARG A 1 30  ? -41.902 -20.219 -4.969  1.00 48.42  ? 206  ARG A CA  1 
ATOM   22   C C   . ARG A 1 30  ? -42.937 -19.566 -5.884  1.00 47.44  ? 206  ARG A C   1 
ATOM   23   O O   . ARG A 1 30  ? -44.001 -20.161 -6.121  1.00 48.59  ? 206  ARG A O   1 
ATOM   24   C CB  . ARG A 1 30  ? -42.446 -20.195 -3.543  1.00 50.95  ? 206  ARG A CB  1 
ATOM   25   C CG  . ARG A 1 30  ? -43.361 -21.367 -3.287  1.00 53.06  ? 206  ARG A CG  1 
ATOM   26   C CD  . ARG A 1 30  ? -43.074 -22.051 -1.954  1.00 57.22  ? 206  ARG A CD  1 
ATOM   27   N NE  . ARG A 1 30  ? -43.800 -21.434 -0.842  1.00 62.10  ? 206  ARG A NE  1 
ATOM   28   C CZ  . ARG A 1 30  ? -45.123 -21.482 -0.663  1.00 62.04  ? 206  ARG A CZ  1 
ATOM   29   N NH1 . ARG A 1 30  ? -45.914 -22.106 -1.541  1.00 61.39  ? 206  ARG A NH1 1 
ATOM   30   N NH2 . ARG A 1 30  ? -45.664 -20.891 0.407   1.00 64.15  ? 206  ARG A NH2 1 
ATOM   31   N N   . ASP A 1 31  ? -42.664 -18.338 -6.334  1.00 45.93  ? 207  ASP A N   1 
ATOM   32   C CA  . ASP A 1 31  ? -43.519 -17.651 -7.316  1.00 45.64  ? 207  ASP A CA  1 
ATOM   33   C C   . ASP A 1 31  ? -43.088 -17.918 -8.760  1.00 42.44  ? 207  ASP A C   1 
ATOM   34   O O   . ASP A 1 31  ? -43.732 -17.446 -9.687  1.00 47.55  ? 207  ASP A O   1 
ATOM   35   C CB  . ASP A 1 31  ? -43.572 -16.139 -7.033  1.00 47.12  ? 207  ASP A CB  1 
ATOM   36   C CG  . ASP A 1 31  ? -44.421 -15.789 -5.783  1.00 50.58  ? 207  ASP A CG  1 
ATOM   37   O OD1 . ASP A 1 31  ? -45.456 -16.445 -5.495  1.00 50.18  ? 207  ASP A OD1 1 
ATOM   38   O OD2 . ASP A 1 31  ? -44.049 -14.824 -5.094  1.00 52.28  ? 207  ASP A OD2 1 
ATOM   39   N N   . ILE A 1 32  ? -42.030 -18.698 -8.954  1.00 37.45  ? 208  ILE A N   1 
ATOM   40   C CA  . ILE A 1 32  ? -41.580 -19.092 -10.287 1.00 33.47  ? 208  ILE A CA  1 
ATOM   41   C C   . ILE A 1 32  ? -42.200 -20.428 -10.620 1.00 32.39  ? 208  ILE A C   1 
ATOM   42   O O   . ILE A 1 32  ? -42.267 -21.314 -9.768  1.00 31.77  ? 208  ILE A O   1 
ATOM   43   C CB  . ILE A 1 32  ? -40.054 -19.284 -10.336 1.00 32.05  ? 208  ILE A CB  1 
ATOM   44   C CG1 . ILE A 1 32  ? -39.379 -17.932 -10.076 1.00 32.38  ? 208  ILE A CG1 1 
ATOM   45   C CG2 . ILE A 1 32  ? -39.631 -19.883 -11.686 1.00 31.06  ? 208  ILE A CG2 1 
ATOM   46   C CD1 . ILE A 1 32  ? -37.860 -17.960 -9.907  1.00 31.95  ? 208  ILE A CD1 1 
ATOM   47   N N   . THR A 1 33  ? -42.642 -20.560 -11.863 1.00 31.02  ? 209  THR A N   1 
ATOM   48   C CA  . THR A 1 33  ? -43.137 -21.796 -12.365 1.00 31.25  ? 209  THR A CA  1 
ATOM   49   C C   . THR A 1 33  ? -42.119 -22.213 -13.370 1.00 31.10  ? 209  THR A C   1 
ATOM   50   O O   . THR A 1 33  ? -41.694 -21.392 -14.172 1.00 30.09  ? 209  THR A O   1 
ATOM   51   C CB  . THR A 1 33  ? -44.535 -21.614 -13.037 1.00 31.95  ? 209  THR A CB  1 
ATOM   52   O OG1 . THR A 1 33  ? -45.402 -20.874 -12.153 1.00 31.79  ? 209  THR A OG1 1 
ATOM   53   C CG2 . THR A 1 33  ? -45.135 -22.967 -13.364 1.00 32.21  ? 209  THR A CG2 1 
ATOM   54   N N   . LEU A 1 34  ? -41.710 -23.477 -13.293 1.00 32.21  ? 210  LEU A N   1 
ATOM   55   C CA  . LEU A 1 34  ? -40.648 -24.010 -14.110 1.00 32.71  ? 210  LEU A CA  1 
ATOM   56   C C   . LEU A 1 34  ? -41.306 -24.687 -15.285 1.00 34.56  ? 210  LEU A C   1 
ATOM   57   O O   . LEU A 1 34  ? -42.169 -25.531 -15.069 1.00 37.55  ? 210  LEU A O   1 
ATOM   58   C CB  . LEU A 1 34  ? -39.825 -25.069 -13.363 1.00 32.15  ? 210  LEU A CB  1 
ATOM   59   C CG  . LEU A 1 34  ? -38.806 -24.653 -12.310 1.00 31.59  ? 210  LEU A CG  1 
ATOM   60   C CD1 . LEU A 1 34  ? -38.037 -25.915 -11.921 1.00 31.92  ? 210  LEU A CD1 1 
ATOM   61   C CD2 . LEU A 1 34  ? -37.844 -23.560 -12.756 1.00 30.14  ? 210  LEU A CD2 1 
ATOM   62   N N   . LEU A 1 35  ? -40.868 -24.369 -16.500 1.00 34.53  ? 211  LEU A N   1 
ATOM   63   C CA  . LEU A 1 35  ? -41.604 -24.763 -17.725 1.00 35.91  ? 211  LEU A CA  1 
ATOM   64   C C   . LEU A 1 35  ? -40.835 -25.764 -18.587 1.00 36.42  ? 211  LEU A C   1 
ATOM   65   O O   . LEU A 1 35  ? -41.397 -26.732 -19.067 1.00 35.72  ? 211  LEU A O   1 
ATOM   66   C CB  . LEU A 1 35  ? -41.937 -23.508 -18.552 1.00 35.30  ? 211  LEU A CB  1 
ATOM   67   C CG  . LEU A 1 35  ? -42.796 -22.456 -17.826 1.00 35.66  ? 211  LEU A CG  1 
ATOM   68   C CD1 . LEU A 1 35  ? -42.838 -21.143 -18.592 1.00 35.81  ? 211  LEU A CD1 1 
ATOM   69   C CD2 . LEU A 1 35  ? -44.206 -22.954 -17.546 1.00 37.39  ? 211  LEU A CD2 1 
ATOM   70   N N   . GLU A 1 36  ? -39.537 -25.557 -18.739 1.00 36.88  ? 212  GLU A N   1 
ATOM   71   C CA  . GLU A 1 36  ? -38.769 -26.300 -19.716 1.00 38.84  ? 212  GLU A CA  1 
ATOM   72   C C   . GLU A 1 36  ? -37.272 -26.319 -19.397 1.00 36.26  ? 212  GLU A C   1 
ATOM   73   O O   . GLU A 1 36  ? -36.668 -25.272 -19.190 1.00 34.22  ? 212  GLU A O   1 
ATOM   74   C CB  . GLU A 1 36  ? -39.065 -25.612 -21.049 1.00 41.59  ? 212  GLU A CB  1 
ATOM   75   C CG  . GLU A 1 36  ? -38.129 -25.829 -22.203 1.00 44.00  ? 212  GLU A CG  1 
ATOM   76   C CD  . GLU A 1 36  ? -38.642 -25.139 -23.458 1.00 46.56  ? 212  GLU A CD  1 
ATOM   77   O OE1 . GLU A 1 36  ? -39.565 -24.297 -23.342 1.00 49.33  ? 212  GLU A OE1 1 
ATOM   78   O OE2 . GLU A 1 36  ? -38.123 -25.425 -24.559 1.00 49.73  ? 212  GLU A OE2 1 
ATOM   79   N N   . CYS A 1 37  ? -36.678 -27.506 -19.358 1.00 35.81  ? 213  CYS A N   1 
ATOM   80   C CA  . CYS A 1 37  ? -35.242 -27.608 -19.177 1.00 36.93  ? 213  CYS A CA  1 
ATOM   81   C C   . CYS A 1 37  ? -34.517 -27.293 -20.495 1.00 37.65  ? 213  CYS A C   1 
ATOM   82   O O   . CYS A 1 37  ? -34.693 -28.004 -21.473 1.00 37.88  ? 213  CYS A O   1 
ATOM   83   C CB  . CYS A 1 37  ? -34.846 -28.991 -18.677 1.00 37.89  ? 213  CYS A CB  1 
ATOM   84   S SG  . CYS A 1 37  ? -33.096 -29.070 -18.187 1.00 38.89  ? 213  CYS A SG  1 
ATOM   85   N N   . VAL A 1 38  ? -33.702 -26.242 -20.510 1.00 38.35  ? 214  VAL A N   1 
ATOM   86   C CA  . VAL A 1 38  ? -33.000 -25.800 -21.746 1.00 39.79  ? 214  VAL A CA  1 
ATOM   87   C C   . VAL A 1 38  ? -31.480 -26.011 -21.737 1.00 40.78  ? 214  VAL A C   1 
ATOM   88   O O   . VAL A 1 38  ? -30.779 -25.482 -22.606 1.00 43.11  ? 214  VAL A O   1 
ATOM   89   C CB  . VAL A 1 38  ? -33.295 -24.311 -22.049 1.00 38.26  ? 214  VAL A CB  1 
ATOM   90   C CG1 . VAL A 1 38  ? -34.799 -24.103 -22.169 1.00 39.26  ? 214  VAL A CG1 1 
ATOM   91   C CG2 . VAL A 1 38  ? -32.673 -23.382 -20.999 1.00 35.49  ? 214  VAL A CG2 1 
ATOM   92   N N   . GLY A 1 39  ? -30.975 -26.757 -20.760 1.00 38.98  ? 215  GLY A N   1 
ATOM   93   C CA  . GLY A 1 39  ? -29.534 -26.946 -20.584 1.00 38.84  ? 215  GLY A CA  1 
ATOM   94   C C   . GLY A 1 39  ? -29.210 -27.841 -19.402 1.00 39.08  ? 215  GLY A C   1 
ATOM   95   O O   . GLY A 1 39  ? -29.792 -27.676 -18.334 1.00 36.80  ? 215  GLY A O   1 
ATOM   96   N N   . LYS A 1 40  ? -28.272 -28.769 -19.592 1.00 40.02  ? 216  LYS A N   1 
ATOM   97   C CA  . LYS A 1 40  ? -27.907 -29.781 -18.585 1.00 42.91  ? 216  LYS A CA  1 
ATOM   98   C C   . LYS A 1 40  ? -26.384 -30.029 -18.656 1.00 44.87  ? 216  LYS A C   1 
ATOM   99   O O   . LYS A 1 40  ? -25.866 -30.501 -19.678 1.00 44.74  ? 216  LYS A O   1 
ATOM   100  C CB  . LYS A 1 40  ? -28.679 -31.060 -18.897 1.00 45.82  ? 216  LYS A CB  1 
ATOM   101  C CG  . LYS A 1 40  ? -28.487 -32.222 -17.938 1.00 50.28  ? 216  LYS A CG  1 
ATOM   102  C CD  . LYS A 1 40  ? -29.417 -32.148 -16.727 1.00 52.32  ? 216  LYS A CD  1 
ATOM   103  C CE  . LYS A 1 40  ? -28.801 -32.735 -15.449 1.00 54.77  ? 216  LYS A CE  1 
ATOM   104  N NZ  . LYS A 1 40  ? -27.618 -31.989 -14.907 1.00 54.79  ? 216  LYS A NZ  1 
ATOM   105  N N   . GLY A 1 41  ? -25.656 -29.719 -17.588 1.00 45.31  ? 217  GLY A N   1 
ATOM   106  C CA  . GLY A 1 41  ? -24.220 -29.961 -17.582 1.00 45.57  ? 217  GLY A CA  1 
ATOM   107  C C   . GLY A 1 41  ? -23.645 -30.118 -16.201 1.00 47.70  ? 217  GLY A C   1 
ATOM   108  O O   . GLY A 1 41  ? -24.364 -30.134 -15.204 1.00 46.84  ? 217  GLY A O   1 
ATOM   109  N N   . ARG A 1 42  ? -22.317 -30.217 -16.165 1.00 48.90  ? 218  ARG A N   1 
ATOM   110  C CA  . ARG A 1 42  ? -21.523 -30.400 -14.937 1.00 48.74  ? 218  ARG A CA  1 
ATOM   111  C C   . ARG A 1 42  ? -21.797 -29.298 -13.887 1.00 43.33  ? 218  ARG A C   1 
ATOM   112  O O   . ARG A 1 42  ? -21.800 -29.549 -12.672 1.00 40.37  ? 218  ARG A O   1 
ATOM   113  C CB  . ARG A 1 42  ? -20.030 -30.456 -15.300 1.00 52.83  ? 218  ARG A CB  1 
ATOM   114  C CG  . ARG A 1 42  ? -19.159 -31.241 -14.325 1.00 59.13  ? 218  ARG A CG  1 
ATOM   115  C CD  . ARG A 1 42  ? -18.849 -32.641 -14.861 1.00 63.58  ? 218  ARG A CD  1 
ATOM   116  N NE  . ARG A 1 42  ? -17.798 -32.616 -15.883 1.00 66.28  ? 218  ARG A NE  1 
ATOM   117  C CZ  . ARG A 1 42  ? -17.427 -33.658 -16.633 1.00 69.88  ? 218  ARG A CZ  1 
ATOM   118  N NH1 . ARG A 1 42  ? -18.027 -34.846 -16.513 1.00 73.84  ? 218  ARG A NH1 1 
ATOM   119  N NH2 . ARG A 1 42  ? -16.449 -33.511 -17.522 1.00 64.41  ? 218  ARG A NH2 1 
ATOM   120  N N   . TYR A 1 43  ? -22.037 -28.090 -14.394 1.00 39.26  ? 219  TYR A N   1 
ATOM   121  C CA  . TYR A 1 43  ? -22.568 -26.961 -13.613 1.00 36.20  ? 219  TYR A CA  1 
ATOM   122  C C   . TYR A 1 43  ? -23.994 -27.155 -12.990 1.00 35.72  ? 219  TYR A C   1 
ATOM   123  O O   . TYR A 1 43  ? -24.379 -26.335 -12.175 1.00 36.51  ? 219  TYR A O   1 
ATOM   124  C CB  . TYR A 1 43  ? -22.584 -25.695 -14.489 1.00 33.74  ? 219  TYR A CB  1 
ATOM   125  C CG  . TYR A 1 43  ? -23.583 -25.821 -15.571 1.00 33.90  ? 219  TYR A CG  1 
ATOM   126  C CD1 . TYR A 1 43  ? -24.934 -25.525 -15.319 1.00 32.47  ? 219  TYR A CD1 1 
ATOM   127  C CD2 . TYR A 1 43  ? -23.233 -26.306 -16.823 1.00 31.83  ? 219  TYR A CD2 1 
ATOM   128  C CE1 . TYR A 1 43  ? -25.870 -25.697 -16.292 1.00 31.69  ? 219  TYR A CE1 1 
ATOM   129  C CE2 . TYR A 1 43  ? -24.196 -26.489 -17.806 1.00 30.72  ? 219  TYR A CE2 1 
ATOM   130  C CZ  . TYR A 1 43  ? -25.492 -26.169 -17.546 1.00 31.20  ? 219  TYR A CZ  1 
ATOM   131  O OH  . TYR A 1 43  ? -26.475 -26.353 -18.488 1.00 30.52  ? 219  TYR A OH  1 
ATOM   132  N N   . GLY A 1 44  ? -24.757 -28.185 -13.375 1.00 35.98  ? 220  GLY A N   1 
ATOM   133  C CA  . GLY A 1 44  ? -26.185 -28.359 -12.963 1.00 36.80  ? 220  GLY A CA  1 
ATOM   134  C C   . GLY A 1 44  ? -27.177 -28.249 -14.121 1.00 37.79  ? 220  GLY A C   1 
ATOM   135  O O   . GLY A 1 44  ? -26.984 -28.901 -15.158 1.00 33.73  ? 220  GLY A O   1 
ATOM   136  N N   . GLU A 1 45  ? -28.235 -27.431 -13.950 1.00 37.76  ? 221  GLU A N   1 
ATOM   137  C CA  . GLU A 1 45  ? -29.284 -27.232 -14.987 1.00 34.66  ? 221  GLU A CA  1 
ATOM   138  C C   . GLU A 1 45  ? -29.670 -25.792 -15.233 1.00 31.45  ? 221  GLU A C   1 
ATOM   139  O O   . GLU A 1 45  ? -29.545 -24.955 -14.348 1.00 29.11  ? 221  GLU A O   1 
ATOM   140  C CB  . GLU A 1 45  ? -30.539 -27.964 -14.593 1.00 37.96  ? 221  GLU A CB  1 
ATOM   141  C CG  . GLU A 1 45  ? -30.514 -29.425 -14.926 1.00 41.17  ? 221  GLU A CG  1 
ATOM   142  C CD  . GLU A 1 45  ? -31.576 -30.201 -14.168 1.00 46.45  ? 221  GLU A CD  1 
ATOM   143  O OE1 . GLU A 1 45  ? -32.742 -29.752 -14.142 1.00 48.76  ? 221  GLU A OE1 1 
ATOM   144  O OE2 . GLU A 1 45  ? -31.247 -31.260 -13.601 1.00 50.27  ? 221  GLU A OE2 1 
ATOM   145  N N   . VAL A 1 46  ? -30.193 -25.526 -16.431 1.00 30.31  ? 222  VAL A N   1 
ATOM   146  C CA  . VAL A 1 46  ? -30.845 -24.257 -16.750 1.00 30.35  ? 222  VAL A CA  1 
ATOM   147  C C   . VAL A 1 46  ? -32.294 -24.569 -17.185 1.00 31.43  ? 222  VAL A C   1 
ATOM   148  O O   . VAL A 1 46  ? -32.520 -25.466 -18.002 1.00 31.61  ? 222  VAL A O   1 
ATOM   149  C CB  . VAL A 1 46  ? -30.103 -23.466 -17.843 1.00 31.64  ? 222  VAL A CB  1 
ATOM   150  C CG1 . VAL A 1 46  ? -30.592 -22.023 -17.888 1.00 32.32  ? 222  VAL A CG1 1 
ATOM   151  C CG2 . VAL A 1 46  ? -28.598 -23.461 -17.597 1.00 32.70  ? 222  VAL A CG2 1 
ATOM   152  N N   . TRP A 1 47  ? -33.271 -23.881 -16.570 1.00 30.79  ? 223  TRP A N   1 
ATOM   153  C CA  . TRP A 1 47  ? -34.687 -23.985 -16.916 1.00 30.04  ? 223  TRP A CA  1 
ATOM   154  C C   . TRP A 1 47  ? -35.205 -22.643 -17.418 1.00 29.57  ? 223  TRP A C   1 
ATOM   155  O O   . TRP A 1 47  ? -34.746 -21.582 -16.998 1.00 27.53  ? 223  TRP A O   1 
ATOM   156  C CB  . TRP A 1 47  ? -35.521 -24.440 -15.702 1.00 31.46  ? 223  TRP A CB  1 
ATOM   157  C CG  . TRP A 1 47  ? -35.339 -25.890 -15.392 1.00 31.86  ? 223  TRP A CG  1 
ATOM   158  C CD1 . TRP A 1 47  ? -34.224 -26.464 -14.878 1.00 32.18  ? 223  TRP A CD1 1 
ATOM   159  C CD2 . TRP A 1 47  ? -36.279 -26.954 -15.593 1.00 33.88  ? 223  TRP A CD2 1 
ATOM   160  N NE1 . TRP A 1 47  ? -34.396 -27.813 -14.736 1.00 33.11  ? 223  TRP A NE1 1 
ATOM   161  C CE2 . TRP A 1 47  ? -35.649 -28.149 -15.168 1.00 34.12  ? 223  TRP A CE2 1 
ATOM   162  C CE3 . TRP A 1 47  ? -37.605 -27.020 -16.067 1.00 34.90  ? 223  TRP A CE3 1 
ATOM   163  C CZ2 . TRP A 1 47  ? -36.288 -29.400 -15.222 1.00 35.75  ? 223  TRP A CZ2 1 
ATOM   164  C CZ3 . TRP A 1 47  ? -38.244 -28.262 -16.105 1.00 35.41  ? 223  TRP A CZ3 1 
ATOM   165  C CH2 . TRP A 1 47  ? -37.588 -29.432 -15.688 1.00 36.09  ? 223  TRP A CH2 1 
ATOM   166  N N   . ARG A 1 48  ? -36.157 -22.696 -18.348 1.00 30.05  ? 224  ARG A N   1 
ATOM   167  C CA  . ARG A 1 48  ? -37.002 -21.537 -18.627 1.00 30.19  ? 224  ARG A CA  1 
ATOM   168  C C   . ARG A 1 48  ? -38.121 -21.697 -17.636 1.00 30.46  ? 224  ARG A C   1 
ATOM   169  O O   . ARG A 1 48  ? -38.678 -22.772 -17.515 1.00 32.07  ? 224  ARG A O   1 
ATOM   170  C CB  . ARG A 1 48  ? -37.573 -21.548 -20.045 1.00 30.87  ? 224  ARG A CB  1 
ATOM   171  C CG  . ARG A 1 48  ? -38.590 -20.450 -20.356 1.00 31.20  ? 224  ARG A CG  1 
ATOM   172  C CD  . ARG A 1 48  ? -38.886 -20.406 -21.857 1.00 31.02  ? 224  ARG A CD  1 
ATOM   173  N NE  . ARG A 1 48  ? -39.754 -21.526 -22.175 1.00 32.15  ? 224  ARG A NE  1 
ATOM   174  C CZ  . ARG A 1 48  ? -41.078 -21.513 -22.032 1.00 32.18  ? 224  ARG A CZ  1 
ATOM   175  N NH1 . ARG A 1 48  ? -41.716 -20.422 -21.609 1.00 32.03  ? 224  ARG A NH1 1 
ATOM   176  N NH2 . ARG A 1 48  ? -41.758 -22.605 -22.305 1.00 32.97  ? 224  ARG A NH2 1 
ATOM   177  N N   . GLY A 1 49  ? -38.408 -20.635 -16.908 1.00 29.83  ? 225  GLY A N   1 
ATOM   178  C CA  . GLY A 1 49  ? -39.581 -20.593 -16.071 1.00 30.73  ? 225  GLY A CA  1 
ATOM   179  C C   . GLY A 1 49  ? -40.237 -19.252 -16.226 1.00 30.95  ? 225  GLY A C   1 
ATOM   180  O O   . GLY A 1 49  ? -39.779 -18.421 -16.979 1.00 29.49  ? 225  GLY A O   1 
ATOM   181  N N   . SER A 1 50  ? -41.326 -19.058 -15.492 1.00 33.11  ? 226  SER A N   1 
ATOM   182  C CA  . SER A 1 50  ? -42.064 -17.819 -15.522 1.00 33.97  ? 226  SER A CA  1 
ATOM   183  C C   . SER A 1 50  ? -42.185 -17.301 -14.111 1.00 34.49  ? 226  SER A C   1 
ATOM   184  O O   . SER A 1 50  ? -42.284 -18.087 -13.195 1.00 33.76  ? 226  SER A O   1 
ATOM   185  C CB  . SER A 1 50  ? -43.469 -18.072 -16.085 1.00 36.01  ? 226  SER A CB  1 
ATOM   186  O OG  . SER A 1 50  ? -44.253 -16.911 -15.921 1.00 37.06  ? 226  SER A OG  1 
ATOM   187  N N   . TRP A 1 51  ? -42.226 -15.977 -13.976 1.00 35.20  ? 227  TRP A N   1 
ATOM   188  C CA  . TRP A 1 51  ? -42.242 -15.286 -12.712 1.00 37.04  ? 227  TRP A CA  1 
ATOM   189  C C   . TRP A 1 51  ? -42.874 -13.915 -12.973 1.00 38.32  ? 227  TRP A C   1 
ATOM   190  O O   . TRP A 1 51  ? -42.382 -13.155 -13.810 1.00 38.26  ? 227  TRP A O   1 
ATOM   191  C CB  . TRP A 1 51  ? -40.791 -15.093 -12.197 1.00 37.37  ? 227  TRP A CB  1 
ATOM   192  C CG  . TRP A 1 51  ? -40.739 -14.283 -10.950 1.00 39.60  ? 227  TRP A CG  1 
ATOM   193  C CD1 . TRP A 1 51  ? -41.200 -14.643 -9.702  1.00 40.34  ? 227  TRP A CD1 1 
ATOM   194  C CD2 . TRP A 1 51  ? -40.268 -12.932 -10.829 1.00 41.55  ? 227  TRP A CD2 1 
ATOM   195  N NE1 . TRP A 1 51  ? -41.023 -13.605 -8.823  1.00 40.73  ? 227  TRP A NE1 1 
ATOM   196  C CE2 . TRP A 1 51  ? -40.457 -12.544 -9.482  1.00 41.48  ? 227  TRP A CE2 1 
ATOM   197  C CE3 . TRP A 1 51  ? -39.699 -12.008 -11.733 1.00 42.35  ? 227  TRP A CE3 1 
ATOM   198  C CZ2 . TRP A 1 51  ? -40.083 -11.276 -9.007  1.00 43.02  ? 227  TRP A CZ2 1 
ATOM   199  C CZ3 . TRP A 1 51  ? -39.339 -10.739 -11.261 1.00 42.54  ? 227  TRP A CZ3 1 
ATOM   200  C CH2 . TRP A 1 51  ? -39.529 -10.389 -9.907  1.00 41.79  ? 227  TRP A CH2 1 
ATOM   201  N N   . GLN A 1 52  ? -43.960 -13.610 -12.279 1.00 40.69  ? 228  GLN A N   1 
ATOM   202  C CA  . GLN A 1 52  ? -44.762 -12.431 -12.567 1.00 43.40  ? 228  GLN A CA  1 
ATOM   203  C C   . GLN A 1 52  ? -45.090 -12.297 -14.071 1.00 41.95  ? 228  GLN A C   1 
ATOM   204  O O   . GLN A 1 52  ? -44.986 -11.209 -14.649 1.00 40.20  ? 228  GLN A O   1 
ATOM   205  C CB  . GLN A 1 52  ? -44.064 -11.195 -12.024 1.00 45.16  ? 228  GLN A CB  1 
ATOM   206  C CG  . GLN A 1 52  ? -44.033 -11.235 -10.503 1.00 48.72  ? 228  GLN A CG  1 
ATOM   207  C CD  . GLN A 1 52  ? -43.492 -9.971  -9.885  1.00 51.61  ? 228  GLN A CD  1 
ATOM   208  O OE1 . GLN A 1 52  ? -43.090 -9.026  -10.581 1.00 52.88  ? 228  GLN A OE1 1 
ATOM   209  N NE2 . GLN A 1 52  ? -43.490 -9.936  -8.557  1.00 56.83  ? 228  GLN A NE2 1 
ATOM   210  N N   . GLY A 1 53  ? -45.459 -13.428 -14.680 1.00 41.15  ? 229  GLY A N   1 
ATOM   211  C CA  . GLY A 1 53  ? -45.793 -13.483 -16.106 1.00 42.56  ? 229  GLY A CA  1 
ATOM   212  C C   . GLY A 1 53  ? -44.680 -13.224 -17.124 1.00 42.83  ? 229  GLY A C   1 
ATOM   213  O O   . GLY A 1 53  ? -44.967 -13.073 -18.292 1.00 43.81  ? 229  GLY A O   1 
ATOM   214  N N   . GLU A 1 54  ? -43.414 -13.207 -16.697 1.00 45.00  ? 230  GLU A N   1 
ATOM   215  C CA  . GLU A 1 54  ? -42.264 -12.917 -17.557 1.00 44.36  ? 230  GLU A CA  1 
ATOM   216  C C   . GLU A 1 54  ? -41.367 -14.119 -17.559 1.00 41.70  ? 230  GLU A C   1 
ATOM   217  O O   . GLU A 1 54  ? -41.216 -14.756 -16.525 1.00 40.06  ? 230  GLU A O   1 
ATOM   218  C CB  . GLU A 1 54  ? -41.462 -11.768 -16.962 1.00 48.43  ? 230  GLU A CB  1 
ATOM   219  C CG  . GLU A 1 54  ? -42.143 -10.424 -17.079 1.00 52.83  ? 230  GLU A CG  1 
ATOM   220  C CD  . GLU A 1 54  ? -41.988 -9.856  -18.462 1.00 56.92  ? 230  GLU A CD  1 
ATOM   221  O OE1 . GLU A 1 54  ? -40.838 -9.564  -18.859 1.00 59.63  ? 230  GLU A OE1 1 
ATOM   222  O OE2 . GLU A 1 54  ? -43.007 -9.721  -19.160 1.00 65.28  ? 230  GLU A OE2 1 
ATOM   223  N N   . ASN A 1 55  ? -40.731 -14.419 -18.695 1.00 39.06  ? 231  ASN A N   1 
ATOM   224  C CA  . ASN A 1 55  ? -39.826 -15.547 -18.726 1.00 37.93  ? 231  ASN A CA  1 
ATOM   225  C C   . ASN A 1 55  ? -38.586 -15.183 -17.940 1.00 33.50  ? 231  ASN A C   1 
ATOM   226  O O   . ASN A 1 55  ? -38.178 -14.021 -17.917 1.00 33.54  ? 231  ASN A O   1 
ATOM   227  C CB  . ASN A 1 55  ? -39.430 -15.969 -20.144 1.00 40.29  ? 231  ASN A CB  1 
ATOM   228  C CG  . ASN A 1 55  ? -40.523 -16.788 -20.835 1.00 43.34  ? 231  ASN A CG  1 
ATOM   229  O OD1 . ASN A 1 55  ? -41.000 -17.823 -20.327 1.00 41.38  ? 231  ASN A OD1 1 
ATOM   230  N ND2 . ASN A 1 55  ? -40.908 -16.342 -22.008 1.00 46.49  ? 231  ASN A ND2 1 
ATOM   231  N N   . VAL A 1 56  ? -38.023 -16.190 -17.287 1.00 29.59  ? 232  VAL A N   1 
ATOM   232  C CA  . VAL A 1 56  ? -36.754 -16.070 -16.588 1.00 27.76  ? 232  VAL A CA  1 
ATOM   233  C C   . VAL A 1 56  ? -35.973 -17.344 -16.841 1.00 26.80  ? 232  VAL A C   1 
ATOM   234  O O   . VAL A 1 56  ? -36.581 -18.396 -17.084 1.00 28.18  ? 232  VAL A O   1 
ATOM   235  C CB  . VAL A 1 56  ? -36.962 -15.888 -15.052 1.00 26.58  ? 232  VAL A CB  1 
ATOM   236  C CG1 . VAL A 1 56  ? -37.648 -14.578 -14.785 1.00 27.52  ? 232  VAL A CG1 1 
ATOM   237  C CG2 . VAL A 1 56  ? -37.719 -17.038 -14.430 1.00 25.88  ? 232  VAL A CG2 1 
ATOM   238  N N   . ALA A 1 57  ? -34.649 -17.248 -16.762 1.00 25.38  ? 233  ALA A N   1 
ATOM   239  C CA  . ALA A 1 57  ? -33.788 -18.437 -16.666 1.00 24.41  ? 233  ALA A CA  1 
ATOM   240  C C   . ALA A 1 57  ? -33.520 -18.707 -15.188 1.00 24.44  ? 233  ALA A C   1 
ATOM   241  O O   . ALA A 1 57  ? -33.250 -17.803 -14.433 1.00 24.33  ? 233  ALA A O   1 
ATOM   242  C CB  . ALA A 1 57  ? -32.516 -18.209 -17.402 1.00 23.35  ? 233  ALA A CB  1 
ATOM   243  N N   . VAL A 1 58  ? -33.646 -19.963 -14.800 1.00 25.31  ? 234  VAL A N   1 
ATOM   244  C CA  . VAL A 1 58  ? -33.357 -20.425 -13.487 1.00 26.48  ? 234  VAL A CA  1 
ATOM   245  C C   . VAL A 1 58  ? -32.216 -21.403 -13.660 1.00 26.29  ? 234  VAL A C   1 
ATOM   246  O O   . VAL A 1 58  ? -32.421 -22.477 -14.224 1.00 26.52  ? 234  VAL A O   1 
ATOM   247  C CB  . VAL A 1 58  ? -34.579 -21.112 -12.846 1.00 28.85  ? 234  VAL A CB  1 
ATOM   248  C CG1 . VAL A 1 58  ? -34.238 -21.633 -11.448 1.00 29.72  ? 234  VAL A CG1 1 
ATOM   249  C CG2 . VAL A 1 58  ? -35.736 -20.122 -12.721 1.00 29.47  ? 234  VAL A CG2 1 
ATOM   250  N N   . LYS A 1 59  ? -31.024 -21.004 -13.205 1.00 24.99  ? 235  LYS A N   1 
ATOM   251  C CA  . LYS A 1 59  ? -29.882 -21.886 -13.166 1.00 24.76  ? 235  LYS A CA  1 
ATOM   252  C C   . LYS A 1 59  ? -29.891 -22.558 -11.800 1.00 26.32  ? 235  LYS A C   1 
ATOM   253  O O   . LYS A 1 59  ? -29.815 -21.883 -10.749 1.00 25.20  ? 235  LYS A O   1 
ATOM   254  C CB  . LYS A 1 59  ? -28.575 -21.096 -13.366 1.00 23.51  ? 235  LYS A CB  1 
ATOM   255  C CG  . LYS A 1 59  ? -27.319 -21.951 -13.439 1.00 23.66  ? 235  LYS A CG  1 
ATOM   256  C CD  . LYS A 1 59  ? -26.118 -21.150 -13.923 1.00 22.58  ? 235  LYS A CD  1 
ATOM   257  C CE  . LYS A 1 59  ? -24.821 -21.924 -13.829 1.00 22.56  ? 235  LYS A CE  1 
ATOM   258  N NZ  . LYS A 1 59  ? -23.697 -20.974 -14.076 1.00 21.82  ? 235  LYS A NZ  1 
ATOM   259  N N   . ILE A 1 60  ? -29.986 -23.890 -11.841 1.00 28.17  ? 236  ILE A N   1 
ATOM   260  C CA  . ILE A 1 60  ? -29.992 -24.764 -10.674 1.00 29.49  ? 236  ILE A CA  1 
ATOM   261  C C   . ILE A 1 60  ? -28.608 -25.410 -10.607 1.00 29.86  ? 236  ILE A C   1 
ATOM   262  O O   . ILE A 1 60  ? -28.299 -26.222 -11.445 1.00 32.31  ? 236  ILE A O   1 
ATOM   263  C CB  . ILE A 1 60  ? -31.058 -25.868 -10.844 1.00 30.19  ? 236  ILE A CB  1 
ATOM   264  C CG1 . ILE A 1 60  ? -32.450 -25.221 -11.093 1.00 30.51  ? 236  ILE A CG1 1 
ATOM   265  C CG2 . ILE A 1 60  ? -31.034 -26.825 -9.651  1.00 31.21  ? 236  ILE A CG2 1 
ATOM   266  C CD1 . ILE A 1 60  ? -33.621 -26.191 -11.106 1.00 31.87  ? 236  ILE A CD1 1 
ATOM   267  N N   . PHE A 1 61  ? -27.813 -25.089 -9.593  1.00 29.98  ? 237  PHE A N   1 
ATOM   268  C CA  . PHE A 1 61  ? -26.378 -25.474 -9.565  1.00 30.54  ? 237  PHE A CA  1 
ATOM   269  C C   . PHE A 1 61  ? -26.146 -26.890 -9.012  1.00 31.89  ? 237  PHE A C   1 
ATOM   270  O O   . PHE A 1 61  ? -26.771 -27.309 -8.045  1.00 31.84  ? 237  PHE A O   1 
ATOM   271  C CB  . PHE A 1 61  ? -25.565 -24.504 -8.705  1.00 29.22  ? 237  PHE A CB  1 
ATOM   272  C CG  . PHE A 1 61  ? -25.267 -23.185 -9.349  1.00 27.29  ? 237  PHE A CG  1 
ATOM   273  C CD1 . PHE A 1 61  ? -26.270 -22.234 -9.533  1.00 27.68  ? 237  PHE A CD1 1 
ATOM   274  C CD2 . PHE A 1 61  ? -23.948 -22.847 -9.696  1.00 26.97  ? 237  PHE A CD2 1 
ATOM   275  C CE1 . PHE A 1 61  ? -25.977 -20.985 -10.110 1.00 27.54  ? 237  PHE A CE1 1 
ATOM   276  C CE2 . PHE A 1 61  ? -23.646 -21.606 -10.239 1.00 26.21  ? 237  PHE A CE2 1 
ATOM   277  C CZ  . PHE A 1 61  ? -24.658 -20.666 -10.439 1.00 27.28  ? 237  PHE A CZ  1 
ATOM   278  N N   . SER A 1 62  ? -25.205 -27.597 -9.625  1.00 32.32  ? 238  SER A N   1 
ATOM   279  C CA  . SER A 1 62  ? -24.759 -28.893 -9.144  1.00 33.80  ? 238  SER A CA  1 
ATOM   280  C C   . SER A 1 62  ? -24.059 -28.703 -7.825  1.00 35.18  ? 238  SER A C   1 
ATOM   281  O O   . SER A 1 62  ? -23.632 -27.578 -7.489  1.00 32.65  ? 238  SER A O   1 
ATOM   282  C CB  . SER A 1 62  ? -23.755 -29.489 -10.113 1.00 32.96  ? 238  SER A CB  1 
ATOM   283  O OG  . SER A 1 62  ? -22.681 -28.585 -10.271 1.00 30.70  ? 238  SER A OG  1 
ATOM   284  N N   . SER A 1 63  ? -23.938 -29.799 -7.080  1.00 38.79  ? 239  SER A N   1 
ATOM   285  C CA  . SER A 1 63  ? -23.280 -29.740 -5.776  1.00 43.00  ? 239  SER A CA  1 
ATOM   286  C C   . SER A 1 63  ? -21.822 -29.367 -6.011  1.00 45.91  ? 239  SER A C   1 
ATOM   287  O O   . SER A 1 63  ? -21.310 -28.474 -5.360  1.00 51.17  ? 239  SER A O   1 
ATOM   288  C CB  . SER A 1 63  ? -23.463 -31.025 -4.938  1.00 44.62  ? 239  SER A CB  1 
ATOM   289  O OG  . SER A 1 63  ? -23.407 -32.213 -5.706  1.00 46.76  ? 239  SER A OG  1 
ATOM   290  N N   . ARG A 1 64  ? -21.198 -29.933 -7.033  1.00 48.03  ? 240  ARG A N   1 
ATOM   291  C CA  . ARG A 1 64  ? -19.820 -29.589 -7.320  1.00 51.81  ? 240  ARG A CA  1 
ATOM   292  C C   . ARG A 1 64  ? -19.602 -28.083 -7.526  1.00 48.99  ? 240  ARG A C   1 
ATOM   293  O O   . ARG A 1 64  ? -18.547 -27.574 -7.179  1.00 49.64  ? 240  ARG A O   1 
ATOM   294  C CB  . ARG A 1 64  ? -19.276 -30.409 -8.499  1.00 55.38  ? 240  ARG A CB  1 
ATOM   295  C CG  . ARG A 1 64  ? -19.531 -29.854 -9.883  1.00 56.01  ? 240  ARG A CG  1 
ATOM   296  C CD  . ARG A 1 64  ? -18.296 -29.205 -10.511 1.00 61.42  ? 240  ARG A CD  1 
ATOM   297  N NE  . ARG A 1 64  ? -18.597 -28.760 -11.881 1.00 64.01  ? 240  ARG A NE  1 
ATOM   298  C CZ  . ARG A 1 64  ? -17.707 -28.402 -12.812 1.00 65.14  ? 240  ARG A CZ  1 
ATOM   299  N NH1 . ARG A 1 64  ? -16.396 -28.414 -12.577 1.00 67.13  ? 240  ARG A NH1 1 
ATOM   300  N NH2 . ARG A 1 64  ? -18.146 -28.028 -14.009 1.00 65.93  ? 240  ARG A NH2 1 
ATOM   301  N N   . ASP A 1 65  ? -20.594 -27.368 -8.041  1.00 46.64  ? 241  ASP A N   1 
ATOM   302  C CA  . ASP A 1 65  ? -20.431 -25.937 -8.316  1.00 43.78  ? 241  ASP A CA  1 
ATOM   303  C C   . ASP A 1 65  ? -21.114 -24.961 -7.371  1.00 39.23  ? 241  ASP A C   1 
ATOM   304  O O   . ASP A 1 65  ? -21.325 -23.794 -7.722  1.00 33.51  ? 241  ASP A O   1 
ATOM   305  C CB  . ASP A 1 65  ? -20.808 -25.652 -9.757  1.00 48.32  ? 241  ASP A CB  1 
ATOM   306  C CG  . ASP A 1 65  ? -19.609 -25.240 -10.576 1.00 58.37  ? 241  ASP A CG  1 
ATOM   307  O OD1 . ASP A 1 65  ? -18.892 -24.323 -10.101 1.00 67.65  ? 241  ASP A OD1 1 
ATOM   308  O OD2 . ASP A 1 65  ? -19.384 -25.822 -11.667 1.00 58.15  ? 241  ASP A OD2 1 
ATOM   309  N N   . GLU A 1 66  ? -21.381 -25.388 -6.134  1.00 40.16  ? 242  GLU A N   1 
ATOM   310  C CA  . GLU A 1 66  ? -22.156 -24.511 -5.252  1.00 37.25  ? 242  GLU A CA  1 
ATOM   311  C C   . GLU A 1 66  ? -21.445 -23.232 -4.815  1.00 35.06  ? 242  GLU A C   1 
ATOM   312  O O   . GLU A 1 66  ? -22.113 -22.224 -4.561  1.00 31.97  ? 242  GLU A O   1 
ATOM   313  C CB  . GLU A 1 66  ? -22.880 -25.232 -4.137  1.00 40.75  ? 242  GLU A CB  1 
ATOM   314  C CG  . GLU A 1 66  ? -22.246 -26.295 -3.284  1.00 46.19  ? 242  GLU A CG  1 
ATOM   315  C CD  . GLU A 1 66  ? -23.323 -27.025 -2.469  1.00 50.73  ? 242  GLU A CD  1 
ATOM   316  O OE1 . GLU A 1 66  ? -23.763 -26.484 -1.415  1.00 50.61  ? 242  GLU A OE1 1 
ATOM   317  O OE2 . GLU A 1 66  ? -23.753 -28.129 -2.904  1.00 53.81  ? 242  GLU A OE2 1 
ATOM   318  N N   . LYS A 1 67  ? -20.104 -23.239 -4.818  1.00 33.19  ? 243  LYS A N   1 
ATOM   319  C CA  . LYS A 1 67  ? -19.332 -22.024 -4.505  1.00 32.95  ? 243  LYS A CA  1 
ATOM   320  C C   . LYS A 1 67  ? -19.529 -20.951 -5.544  1.00 29.83  ? 243  LYS A C   1 
ATOM   321  O O   . LYS A 1 67  ? -19.532 -19.775 -5.224  1.00 28.29  ? 243  LYS A O   1 
ATOM   322  C CB  . LYS A 1 67  ? -17.826 -22.319 -4.402  1.00 35.82  ? 243  LYS A CB  1 
ATOM   323  C CG  . LYS A 1 67  ? -17.424 -22.989 -3.133  1.00 40.29  ? 243  LYS A CG  1 
ATOM   324  C CD  . LYS A 1 67  ? -17.377 -21.983 -1.994  1.00 44.10  ? 243  LYS A CD  1 
ATOM   325  C CE  . LYS A 1 67  ? -15.997 -21.375 -1.775  1.00 47.13  ? 243  LYS A CE  1 
ATOM   326  N NZ  . LYS A 1 67  ? -15.114 -22.335 -1.057  1.00 50.22  ? 243  LYS A NZ  1 
ATOM   327  N N   . SER A 1 68  ? -19.639 -21.359 -6.806  1.00 29.64  ? 244  SER A N   1 
ATOM   328  C CA  . SER A 1 68  ? -19.918 -20.418 -7.875  1.00 28.54  ? 244  SER A CA  1 
ATOM   329  C C   . SER A 1 68  ? -21.241 -19.673 -7.647  1.00 26.80  ? 244  SER A C   1 
ATOM   330  O O   . SER A 1 68  ? -21.320 -18.429 -7.682  1.00 25.29  ? 244  SER A O   1 
ATOM   331  C CB  . SER A 1 68  ? -19.907 -21.121 -9.222  1.00 28.94  ? 244  SER A CB  1 
ATOM   332  O OG  . SER A 1 68  ? -18.588 -21.328 -9.629  1.00 30.56  ? 244  SER A OG  1 
ATOM   333  N N   . TRP A 1 69  ? -22.269 -20.431 -7.334  1.00 26.91  ? 245  TRP A N   1 
ATOM   334  C CA  . TRP A 1 69  ? -23.548 -19.804 -6.984  1.00 26.91  ? 245  TRP A CA  1 
ATOM   335  C C   . TRP A 1 69  ? -23.383 -18.821 -5.832  1.00 28.00  ? 245  TRP A C   1 
ATOM   336  O O   . TRP A 1 69  ? -23.928 -17.701 -5.879  1.00 28.28  ? 245  TRP A O   1 
ATOM   337  C CB  . TRP A 1 69  ? -24.549 -20.862 -6.609  1.00 26.42  ? 245  TRP A CB  1 
ATOM   338  C CG  . TRP A 1 69  ? -25.832 -20.375 -6.041  1.00 26.20  ? 245  TRP A CG  1 
ATOM   339  C CD1 . TRP A 1 69  ? -27.016 -20.083 -6.717  1.00 26.18  ? 245  TRP A CD1 1 
ATOM   340  C CD2 . TRP A 1 69  ? -26.104 -20.185 -4.665  1.00 26.43  ? 245  TRP A CD2 1 
ATOM   341  N NE1 . TRP A 1 69  ? -27.999 -19.726 -5.792  1.00 26.48  ? 245  TRP A NE1 1 
ATOM   342  C CE2 . TRP A 1 69  ? -27.462 -19.774 -4.542  1.00 26.73  ? 245  TRP A CE2 1 
ATOM   343  C CE3 . TRP A 1 69  ? -25.340 -20.322 -3.511  1.00 27.24  ? 245  TRP A CE3 1 
ATOM   344  C CZ2 . TRP A 1 69  ? -28.044 -19.485 -3.309  1.00 27.43  ? 245  TRP A CZ2 1 
ATOM   345  C CZ3 . TRP A 1 69  ? -25.926 -20.025 -2.281  1.00 28.04  ? 245  TRP A CZ3 1 
ATOM   346  C CH2 . TRP A 1 69  ? -27.270 -19.623 -2.196  1.00 27.75  ? 245  TRP A CH2 1 
ATOM   347  N N   . PHE A 1 70  ? -22.631 -19.221 -4.800  1.00 28.94  ? 246  PHE A N   1 
ATOM   348  C CA  . PHE A 1 70  ? -22.398 -18.324 -3.691  1.00 29.41  ? 246  PHE A CA  1 
ATOM   349  C C   . PHE A 1 70  ? -21.677 -17.035 -4.098  1.00 29.69  ? 246  PHE A C   1 
ATOM   350  O O   . PHE A 1 70  ? -22.136 -15.942 -3.804  1.00 29.43  ? 246  PHE A O   1 
ATOM   351  C CB  . PHE A 1 70  ? -21.622 -19.036 -2.595  1.00 31.65  ? 246  PHE A CB  1 
ATOM   352  C CG  . PHE A 1 70  ? -21.399 -18.193 -1.392  1.00 33.21  ? 246  PHE A CG  1 
ATOM   353  C CD1 . PHE A 1 70  ? -22.483 -17.667 -0.696  1.00 33.47  ? 246  PHE A CD1 1 
ATOM   354  C CD2 . PHE A 1 70  ? -20.101 -17.887 -0.957  1.00 34.72  ? 246  PHE A CD2 1 
ATOM   355  C CE1 . PHE A 1 70  ? -22.296 -16.857 0.404   1.00 34.37  ? 246  PHE A CE1 1 
ATOM   356  C CE2 . PHE A 1 70  ? -19.919 -17.099 0.165   1.00 35.18  ? 246  PHE A CE2 1 
ATOM   357  C CZ  . PHE A 1 70  ? -21.012 -16.575 0.826   1.00 35.70  ? 246  PHE A CZ  1 
ATOM   358  N N   . ARG A 1 71  ? -20.531 -17.177 -4.752  1.00 30.70  ? 247  ARG A N   1 
ATOM   359  C CA  . ARG A 1 71  ? -19.738 -16.044 -5.230  1.00 32.99  ? 247  ARG A CA  1 
ATOM   360  C C   . ARG A 1 71  ? -20.522 -15.115 -6.174  1.00 30.38  ? 247  ARG A C   1 
ATOM   361  O O   . ARG A 1 71  ? -20.441 -13.880 -6.121  1.00 27.99  ? 247  ARG A O   1 
ATOM   362  C CB  . ARG A 1 71  ? -18.508 -16.611 -5.944  1.00 37.36  ? 247  ARG A CB  1 
ATOM   363  C CG  . ARG A 1 71  ? -17.615 -15.605 -6.682  1.00 44.03  ? 247  ARG A CG  1 
ATOM   364  C CD  . ARG A 1 71  ? -17.116 -14.453 -5.794  1.00 48.98  ? 247  ARG A CD  1 
ATOM   365  N NE  . ARG A 1 71  ? -15.901 -13.792 -6.330  1.00 52.93  ? 247  ARG A NE  1 
ATOM   366  C CZ  . ARG A 1 71  ? -15.334 -12.703 -5.802  1.00 58.76  ? 247  ARG A CZ  1 
ATOM   367  N NH1 . ARG A 1 71  ? -14.234 -12.188 -6.346  1.00 62.55  ? 247  ARG A NH1 1 
ATOM   368  N NH2 . ARG A 1 71  ? -15.845 -12.124 -4.712  1.00 60.26  ? 247  ARG A NH2 1 
ATOM   369  N N   . GLU A 1 72  ? -21.300 -15.724 -7.040  1.00 29.26  ? 248  GLU A N   1 
ATOM   370  C CA  . GLU A 1 72  ? -22.062 -14.945 -7.997  1.00 30.08  ? 248  GLU A CA  1 
ATOM   371  C C   . GLU A 1 72  ? -23.222 -14.215 -7.310  1.00 30.44  ? 248  GLU A C   1 
ATOM   372  O O   . GLU A 1 72  ? -23.457 -13.026 -7.562  1.00 29.46  ? 248  GLU A O   1 
ATOM   373  C CB  . GLU A 1 72  ? -22.525 -15.845 -9.122  1.00 29.95  ? 248  GLU A CB  1 
ATOM   374  C CG  . GLU A 1 72  ? -23.115 -15.049 -10.266 1.00 30.94  ? 248  GLU A CG  1 
ATOM   375  C CD  . GLU A 1 72  ? -23.293 -15.857 -11.523 1.00 30.13  ? 248  GLU A CD  1 
ATOM   376  O OE1 . GLU A 1 72  ? -23.367 -15.229 -12.608 1.00 30.01  ? 248  GLU A OE1 1 
ATOM   377  O OE2 . GLU A 1 72  ? -23.345 -17.112 -11.424 1.00 31.43  ? 248  GLU A OE2 1 
ATOM   378  N N   . THR A 1 73  ? -23.865 -14.899 -6.361  1.00 31.46  ? 249  THR A N   1 
ATOM   379  C CA  . THR A 1 73  ? -24.876 -14.264 -5.505  1.00 31.97  ? 249  THR A CA  1 
ATOM   380  C C   . THR A 1 73  ? -24.296 -13.071 -4.779  1.00 34.42  ? 249  THR A C   1 
ATOM   381  O O   . THR A 1 73  ? -24.889 -11.991 -4.797  1.00 33.75  ? 249  THR A O   1 
ATOM   382  C CB  . THR A 1 73  ? -25.425 -15.226 -4.484  1.00 31.20  ? 249  THR A CB  1 
ATOM   383  O OG1 . THR A 1 73  ? -25.955 -16.371 -5.155  1.00 29.00  ? 249  THR A OG1 1 
ATOM   384  C CG2 . THR A 1 73  ? -26.522 -14.549 -3.676  1.00 33.13  ? 249  THR A CG2 1 
ATOM   385  N N   . GLU A 1 74  ? -23.148 -13.298 -4.127  1.00 36.90  ? 250  GLU A N   1 
ATOM   386  C CA  . GLU A 1 74  ? -22.353 -12.249 -3.491  1.00 40.04  ? 250  GLU A CA  1 
ATOM   387  C C   . GLU A 1 74  ? -22.058 -11.106 -4.460  1.00 38.50  ? 250  GLU A C   1 
ATOM   388  O O   . GLU A 1 74  ? -22.289 -9.948  -4.158  1.00 38.56  ? 250  GLU A O   1 
ATOM   389  C CB  . GLU A 1 74  ? -21.023 -12.843 -2.979  1.00 43.77  ? 250  GLU A CB  1 
ATOM   390  C CG  . GLU A 1 74  ? -19.997 -11.815 -2.484  1.00 49.21  ? 250  GLU A CG  1 
ATOM   391  C CD  . GLU A 1 74  ? -18.565 -12.344 -2.369  1.00 52.71  ? 250  GLU A CD  1 
ATOM   392  O OE1 . GLU A 1 74  ? -18.359 -13.532 -2.011  1.00 54.52  ? 250  GLU A OE1 1 
ATOM   393  O OE2 . GLU A 1 74  ? -17.640 -11.544 -2.627  1.00 52.20  ? 250  GLU A OE2 1 
ATOM   394  N N   . LEU A 1 75  ? -21.489 -11.435 -5.602  1.00 37.74  ? 251  LEU A N   1 
ATOM   395  C CA  . LEU A 1 75  ? -21.069 -10.403 -6.547  1.00 40.24  ? 251  LEU A CA  1 
ATOM   396  C C   . LEU A 1 75  ? -22.263 -9.526  -6.931  1.00 41.39  ? 251  LEU A C   1 
ATOM   397  O O   . LEU A 1 75  ? -22.253 -8.303  -6.742  1.00 40.16  ? 251  LEU A O   1 
ATOM   398  C CB  . LEU A 1 75  ? -20.459 -11.049 -7.798  1.00 42.57  ? 251  LEU A CB  1 
ATOM   399  C CG  . LEU A 1 75  ? -19.382 -10.345 -8.613  1.00 44.44  ? 251  LEU A CG  1 
ATOM   400  C CD1 . LEU A 1 75  ? -19.549 -10.771 -10.057 1.00 45.71  ? 251  LEU A CD1 1 
ATOM   401  C CD2 . LEU A 1 75  ? -19.379 -8.827  -8.472  1.00 47.06  ? 251  LEU A CD2 1 
ATOM   402  N N   . TYR A 1 76  ? -23.315 -10.182 -7.418  1.00 42.03  ? 252  TYR A N   1 
ATOM   403  C CA  . TYR A 1 76  ? -24.523 -9.503  -7.832  1.00 44.18  ? 252  TYR A CA  1 
ATOM   404  C C   . TYR A 1 76  ? -25.202 -8.690  -6.758  1.00 48.29  ? 252  TYR A C   1 
ATOM   405  O O   . TYR A 1 76  ? -25.925 -7.743  -7.068  1.00 52.90  ? 252  TYR A O   1 
ATOM   406  C CB  . TYR A 1 76  ? -25.535 -10.516 -8.332  1.00 44.02  ? 252  TYR A CB  1 
ATOM   407  C CG  . TYR A 1 76  ? -25.311 -10.932 -9.738  1.00 42.32  ? 252  TYR A CG  1 
ATOM   408  C CD1 . TYR A 1 76  ? -25.159 -9.983  -10.725 1.00 45.34  ? 252  TYR A CD1 1 
ATOM   409  C CD2 . TYR A 1 76  ? -25.287 -12.268 -10.093 1.00 42.98  ? 252  TYR A CD2 1 
ATOM   410  C CE1 . TYR A 1 76  ? -24.967 -10.340 -12.041 1.00 51.25  ? 252  TYR A CE1 1 
ATOM   411  C CE2 . TYR A 1 76  ? -25.080 -12.645 -11.405 1.00 48.65  ? 252  TYR A CE2 1 
ATOM   412  C CZ  . TYR A 1 76  ? -24.921 -11.673 -12.381 1.00 52.15  ? 252  TYR A CZ  1 
ATOM   413  O OH  . TYR A 1 76  ? -24.759 -12.001 -13.711 1.00 59.33  ? 252  TYR A OH  1 
ATOM   414  N N   . ASN A 1 77  ? -25.004 -9.088  -5.509  1.00 48.46  ? 253  ASN A N   1 
ATOM   415  C CA  . ASN A 1 77  ? -25.550 -8.379  -4.381  1.00 48.46  ? 253  ASN A CA  1 
ATOM   416  C C   . ASN A 1 77  ? -24.645 -7.331  -3.754  1.00 48.14  ? 253  ASN A C   1 
ATOM   417  O O   . ASN A 1 77  ? -25.058 -6.672  -2.811  1.00 53.33  ? 253  ASN A O   1 
ATOM   418  C CB  . ASN A 1 77  ? -26.028 -9.421  -3.366  1.00 52.09  ? 253  ASN A CB  1 
ATOM   419  C CG  . ASN A 1 77  ? -27.336 -10.063 -3.807  1.00 51.50  ? 253  ASN A CG  1 
ATOM   420  O OD1 . ASN A 1 77  ? -27.429 -11.256 -4.140  1.00 51.13  ? 253  ASN A OD1 1 
ATOM   421  N ND2 . ASN A 1 77  ? -28.349 -9.234  -3.877  1.00 51.57  ? 253  ASN A ND2 1 
ATOM   422  N N   . THR A 1 78  ? -23.440 -7.149  -4.287  1.00 45.21  ? 254  THR A N   1 
ATOM   423  C CA  . THR A 1 78  ? -22.495 -6.148  -3.793  1.00 46.83  ? 254  THR A CA  1 
ATOM   424  C C   . THR A 1 78  ? -22.076 -5.116  -4.851  1.00 46.70  ? 254  THR A C   1 
ATOM   425  O O   . THR A 1 78  ? -21.909 -3.936  -4.535  1.00 49.08  ? 254  THR A O   1 
ATOM   426  C CB  . THR A 1 78  ? -21.215 -6.818  -3.214  1.00 46.41  ? 254  THR A CB  1 
ATOM   427  O OG1 . THR A 1 78  ? -20.556 -7.582  -4.225  1.00 47.87  ? 254  THR A OG1 1 
ATOM   428  C CG2 . THR A 1 78  ? -21.553 -7.743  -2.077  1.00 47.49  ? 254  THR A CG2 1 
ATOM   429  N N   . VAL A 1 79  ? -21.877 -5.561  -6.086  1.00 44.36  ? 255  VAL A N   1 
ATOM   430  C CA  . VAL A 1 79  ? -21.407 -4.710  -7.150  1.00 45.95  ? 255  VAL A CA  1 
ATOM   431  C C   . VAL A 1 79  ? -22.524 -4.455  -8.148  1.00 46.19  ? 255  VAL A C   1 
ATOM   432  O O   . VAL A 1 79  ? -23.177 -5.401  -8.614  1.00 42.39  ? 255  VAL A O   1 
ATOM   433  C CB  . VAL A 1 79  ? -20.249 -5.391  -7.914  1.00 46.00  ? 255  VAL A CB  1 
ATOM   434  C CG1 . VAL A 1 79  ? -19.717 -4.485  -9.020  1.00 46.97  ? 255  VAL A CG1 1 
ATOM   435  C CG2 . VAL A 1 79  ? -19.129 -5.774  -6.957  1.00 47.27  ? 255  VAL A CG2 1 
ATOM   436  N N   . MET A 1 80  ? -22.708 -3.185  -8.502  1.00 48.07  ? 256  MET A N   1 
ATOM   437  C CA  . MET A 1 80  ? -23.586 -2.839  -9.602  1.00 51.39  ? 256  MET A CA  1 
ATOM   438  C C   . MET A 1 80  ? -22.959 -3.124  -10.976 1.00 49.02  ? 256  MET A C   1 
ATOM   439  O O   . MET A 1 80  ? -22.189 -2.321  -11.516 1.00 49.38  ? 256  MET A O   1 
ATOM   440  C CB  . MET A 1 80  ? -24.041 -1.399  -9.521  1.00 57.78  ? 256  MET A CB  1 
ATOM   441  C CG  . MET A 1 80  ? -25.090 -1.083  -10.584 1.00 62.58  ? 256  MET A CG  1 
ATOM   442  S SD  . MET A 1 80  ? -26.575 -2.127  -10.692 1.00 71.61  ? 256  MET A SD  1 
ATOM   443  C CE  . MET A 1 80  ? -27.262 -1.958  -9.037  1.00 67.47  ? 256  MET A CE  1 
ATOM   444  N N   . LEU A 1 81  ? -23.348 -4.274  -11.517 1.00 46.98  ? 257  LEU A N   1 
ATOM   445  C CA  . LEU A 1 81  ? -22.879 -4.806  -12.782 1.00 48.03  ? 257  LEU A CA  1 
ATOM   446  C C   . LEU A 1 81  ? -23.736 -4.438  -13.987 1.00 46.91  ? 257  LEU A C   1 
ATOM   447  O O   . LEU A 1 81  ? -23.211 -4.398  -15.095 1.00 48.32  ? 257  LEU A O   1 
ATOM   448  C CB  . LEU A 1 81  ? -22.861 -6.335  -12.705 1.00 49.37  ? 257  LEU A CB  1 
ATOM   449  C CG  . LEU A 1 81  ? -21.869 -6.911  -11.686 1.00 50.82  ? 257  LEU A CG  1 
ATOM   450  C CD1 . LEU A 1 81  ? -22.466 -8.061  -10.887 1.00 50.80  ? 257  LEU A CD1 1 
ATOM   451  C CD2 . LEU A 1 81  ? -20.623 -7.371  -12.402 1.00 51.71  ? 257  LEU A CD2 1 
ATOM   452  N N   . ARG A 1 82  ? -25.037 -4.213  -13.770 1.00 45.80  ? 258  ARG A N   1 
ATOM   453  C CA  . ARG A 1 82  ? -26.049 -4.030  -14.841 1.00 44.42  ? 258  ARG A CA  1 
ATOM   454  C C   . ARG A 1 82  ? -25.521 -3.312  -16.093 1.00 40.40  ? 258  ARG A C   1 
ATOM   455  O O   . ARG A 1 82  ? -25.071 -2.188  -16.015 1.00 40.20  ? 258  ARG A O   1 
ATOM   456  C CB  . ARG A 1 82  ? -27.258 -3.249  -14.286 1.00 49.72  ? 258  ARG A CB  1 
ATOM   457  C CG  . ARG A 1 82  ? -28.598 -3.497  -14.986 1.00 52.53  ? 258  ARG A CG  1 
ATOM   458  C CD  . ARG A 1 82  ? -29.352 -2.208  -15.304 1.00 56.23  ? 258  ARG A CD  1 
ATOM   459  N NE  . ARG A 1 82  ? -28.979 -1.720  -16.646 1.00 64.01  ? 258  ARG A NE  1 
ATOM   460  C CZ  . ARG A 1 82  ? -28.109 -0.739  -16.944 1.00 64.67  ? 258  ARG A CZ  1 
ATOM   461  N NH1 . ARG A 1 82  ? -27.879 -0.439  -18.216 1.00 65.18  ? 258  ARG A NH1 1 
ATOM   462  N NH2 . ARG A 1 82  ? -27.471 -0.044  -16.008 1.00 69.35  ? 258  ARG A NH2 1 
ATOM   463  N N   . HIS A 1 83  ? -25.584 -3.963  -17.243 1.00 37.66  ? 259  HIS A N   1 
ATOM   464  C CA  . HIS A 1 83  ? -25.098 -3.381  -18.487 1.00 36.34  ? 259  HIS A CA  1 
ATOM   465  C C   . HIS A 1 83  ? -25.785 -4.184  -19.549 1.00 36.55  ? 259  HIS A C   1 
ATOM   466  O O   . HIS A 1 83  ? -26.165 -5.337  -19.289 1.00 36.08  ? 259  HIS A O   1 
ATOM   467  C CB  . HIS A 1 83  ? -23.550 -3.553  -18.556 1.00 36.02  ? 259  HIS A CB  1 
ATOM   468  C CG  . HIS A 1 83  ? -22.919 -3.030  -19.814 1.00 35.26  ? 259  HIS A CG  1 
ATOM   469  N ND1 . HIS A 1 83  ? -22.558 -3.850  -20.857 1.00 34.91  ? 259  HIS A ND1 1 
ATOM   470  C CD2 . HIS A 1 83  ? -22.588 -1.773  -20.197 1.00 36.97  ? 259  HIS A CD2 1 
ATOM   471  C CE1 . HIS A 1 83  ? -22.045 -3.126  -21.835 1.00 34.93  ? 259  HIS A CE1 1 
ATOM   472  N NE2 . HIS A 1 83  ? -22.060 -1.859  -21.464 1.00 36.38  ? 259  HIS A NE2 1 
ATOM   473  N N   . GLU A 1 84  ? -25.953 -3.609  -20.745 1.00 38.82  ? 260  GLU A N   1 
ATOM   474  C CA  . GLU A 1 84  ? -26.670 -4.294  -21.828 1.00 39.29  ? 260  GLU A CA  1 
ATOM   475  C C   . GLU A 1 84  ? -26.063 -5.641  -22.182 1.00 36.75  ? 260  GLU A C   1 
ATOM   476  O O   . GLU A 1 84  ? -26.756 -6.547  -22.607 1.00 33.16  ? 260  GLU A O   1 
ATOM   477  C CB  . GLU A 1 84  ? -26.741 -3.426  -23.093 1.00 45.17  ? 260  GLU A CB  1 
ATOM   478  C CG  . GLU A 1 84  ? -27.724 -3.944  -24.147 1.00 49.80  ? 260  GLU A CG  1 
ATOM   479  C CD  . GLU A 1 84  ? -27.871 -3.048  -25.364 1.00 54.57  ? 260  GLU A CD  1 
ATOM   480  O OE1 . GLU A 1 84  ? -28.682 -3.419  -26.246 1.00 54.02  ? 260  GLU A OE1 1 
ATOM   481  O OE2 . GLU A 1 84  ? -27.185 -1.995  -25.438 1.00 55.75  ? 260  GLU A OE2 1 
ATOM   482  N N   . ASN A 1 85  ? -24.748 -5.767  -22.014 1.00 35.15  ? 261  ASN A N   1 
ATOM   483  C CA  . ASN A 1 85  ? -24.049 -6.981  -22.379 1.00 33.08  ? 261  ASN A CA  1 
ATOM   484  C C   . ASN A 1 85  ? -23.596 -7.827  -21.193 1.00 30.77  ? 261  ASN A C   1 
ATOM   485  O O   . ASN A 1 85  ? -22.696 -8.657  -21.316 1.00 28.91  ? 261  ASN A O   1 
ATOM   486  C CB  . ASN A 1 85  ? -22.915 -6.613  -23.351 1.00 34.45  ? 261  ASN A CB  1 
ATOM   487  C CG  . ASN A 1 85  ? -23.420 -5.747  -24.498 1.00 35.48  ? 261  ASN A CG  1 
ATOM   488  O OD1 . ASN A 1 85  ? -23.004 -4.600  -24.650 1.00 39.97  ? 261  ASN A OD1 1 
ATOM   489  N ND2 . ASN A 1 85  ? -24.353 -6.282  -25.289 1.00 34.39  ? 261  ASN A ND2 1 
ATOM   490  N N   . ILE A 1 86  ? -24.274 -7.673  -20.062 1.00 29.50  ? 262  ILE A N   1 
ATOM   491  C CA  . ILE A 1 86  ? -24.083 -8.578  -18.932 1.00 27.86  ? 262  ILE A CA  1 
ATOM   492  C C   . ILE A 1 86  ? -25.429 -9.151  -18.667 1.00 26.01  ? 262  ILE A C   1 
ATOM   493  O O   . ILE A 1 86  ? -26.375 -8.405  -18.654 1.00 25.94  ? 262  ILE A O   1 
ATOM   494  C CB  . ILE A 1 86  ? -23.555 -7.856  -17.675 1.00 28.60  ? 262  ILE A CB  1 
ATOM   495  C CG1 . ILE A 1 86  ? -22.217 -7.155  -17.976 1.00 30.12  ? 262  ILE A CG1 1 
ATOM   496  C CG2 . ILE A 1 86  ? -23.400 -8.842  -16.524 1.00 28.07  ? 262  ILE A CG2 1 
ATOM   497  C CD1 . ILE A 1 86  ? -21.094 -8.064  -18.437 1.00 29.51  ? 262  ILE A CD1 1 
ATOM   498  N N   . LEU A 1 87  ? -25.501 -10.467 -18.481 1.00 25.22  ? 263  LEU A N   1 
ATOM   499  C CA  . LEU A 1 87  ? -26.764 -11.146 -18.203 1.00 26.54  ? 263  LEU A CA  1 
ATOM   500  C C   . LEU A 1 87  ? -27.460 -10.475 -16.995 1.00 27.65  ? 263  LEU A C   1 
ATOM   501  O O   . LEU A 1 87  ? -26.835 -10.207 -15.968 1.00 28.73  ? 263  LEU A O   1 
ATOM   502  C CB  . LEU A 1 87  ? -26.569 -12.669 -17.959 1.00 24.81  ? 263  LEU A CB  1 
ATOM   503  C CG  . LEU A 1 87  ? -27.832 -13.477 -17.614 1.00 24.02  ? 263  LEU A CG  1 
ATOM   504  C CD1 . LEU A 1 87  ? -28.848 -13.400 -18.763 1.00 24.61  ? 263  LEU A CD1 1 
ATOM   505  C CD2 . LEU A 1 87  ? -27.561 -14.937 -17.306 1.00 22.42  ? 263  LEU A CD2 1 
ATOM   506  N N   . GLY A 1 88  ? -28.727 -10.149 -17.172 1.00 28.10  ? 264  GLY A N   1 
ATOM   507  C CA  . GLY A 1 88  ? -29.498 -9.392  -16.182 1.00 29.24  ? 264  GLY A CA  1 
ATOM   508  C C   . GLY A 1 88  ? -29.903 -10.240 -15.006 1.00 28.03  ? 264  GLY A C   1 
ATOM   509  O O   . GLY A 1 88  ? -30.588 -11.230 -15.168 1.00 27.21  ? 264  GLY A O   1 
ATOM   510  N N   . PHE A 1 89  ? -29.447 -9.867  -13.816 1.00 29.16  ? 265  PHE A N   1 
ATOM   511  C CA  . PHE A 1 89  ? -29.751 -10.637 -12.581 1.00 27.15  ? 265  PHE A CA  1 
ATOM   512  C C   . PHE A 1 89  ? -31.127 -10.245 -12.002 1.00 27.47  ? 265  PHE A C   1 
ATOM   513  O O   . PHE A 1 89  ? -31.472 -9.040  -11.909 1.00 28.05  ? 265  PHE A O   1 
ATOM   514  C CB  . PHE A 1 89  ? -28.600 -10.423 -11.600 1.00 28.55  ? 265  PHE A CB  1 
ATOM   515  C CG  . PHE A 1 89  ? -28.826 -10.958 -10.196 1.00 27.96  ? 265  PHE A CG  1 
ATOM   516  C CD1 . PHE A 1 89  ? -28.740 -12.327 -9.903  1.00 27.33  ? 265  PHE A CD1 1 
ATOM   517  C CD2 . PHE A 1 89  ? -29.046 -10.087 -9.164  1.00 28.92  ? 265  PHE A CD2 1 
ATOM   518  C CE1 . PHE A 1 89  ? -28.905 -12.791 -8.596  1.00 26.97  ? 265  PHE A CE1 1 
ATOM   519  C CE2 . PHE A 1 89  ? -29.228 -10.561 -7.860  1.00 29.00  ? 265  PHE A CE2 1 
ATOM   520  C CZ  . PHE A 1 89  ? -29.151 -11.908 -7.591  1.00 27.78  ? 265  PHE A CZ  1 
ATOM   521  N N   . ILE A 1 90  ? -31.900 -11.251 -11.575 1.00 25.94  ? 266  ILE A N   1 
ATOM   522  C CA  . ILE A 1 90  ? -33.133 -10.983 -10.853 1.00 26.12  ? 266  ILE A CA  1 
ATOM   523  C C   . ILE A 1 90  ? -32.969 -11.248 -9.336  1.00 26.52  ? 266  ILE A C   1 
ATOM   524  O O   . ILE A 1 90  ? -33.176 -10.339 -8.524  1.00 26.61  ? 266  ILE A O   1 
ATOM   525  C CB  . ILE A 1 90  ? -34.310 -11.762 -11.480 1.00 25.84  ? 266  ILE A CB  1 
ATOM   526  C CG1 . ILE A 1 90  ? -34.496 -11.344 -12.953 1.00 25.65  ? 266  ILE A CG1 1 
ATOM   527  C CG2 . ILE A 1 90  ? -35.588 -11.521 -10.716 1.00 26.53  ? 266  ILE A CG2 1 
ATOM   528  C CD1 . ILE A 1 90  ? -35.607 -12.096 -13.662 1.00 25.98  ? 266  ILE A CD1 1 
ATOM   529  N N   . ALA A 1 91  ? -32.604 -12.484 -8.983  1.00 26.31  ? 267  ALA A N   1 
ATOM   530  C CA  . ALA A 1 91  ? -32.426 -12.895 -7.593  1.00 26.95  ? 267  ALA A CA  1 
ATOM   531  C C   . ALA A 1 91  ? -31.740 -14.258 -7.462  1.00 26.65  ? 267  ALA A C   1 
ATOM   532  O O   . ALA A 1 91  ? -31.649 -15.026 -8.417  1.00 26.08  ? 267  ALA A O   1 
ATOM   533  C CB  . ALA A 1 91  ? -33.768 -12.948 -6.882  1.00 27.54  ? 267  ALA A CB  1 
ATOM   534  N N   . SER A 1 92  ? -31.277 -14.554 -6.250  1.00 26.16  ? 268  SER A N   1 
ATOM   535  C CA  . SER A 1 92  ? -30.770 -15.856 -5.935  1.00 26.39  ? 268  SER A CA  1 
ATOM   536  C C   . SER A 1 92  ? -31.601 -16.407 -4.826  1.00 26.75  ? 268  SER A C   1 
ATOM   537  O O   . SER A 1 92  ? -32.036 -15.658 -4.008  1.00 27.02  ? 268  SER A O   1 
ATOM   538  C CB  . SER A 1 92  ? -29.304 -15.729 -5.477  1.00 26.77  ? 268  SER A CB  1 
ATOM   539  O OG  . SER A 1 92  ? -28.872 -16.954 -4.897  1.00 28.12  ? 268  SER A OG  1 
ATOM   540  N N   . ASP A 1 93  ? -31.791 -17.713 -4.771  1.00 27.20  ? 269  ASP A N   1 
ATOM   541  C CA  . ASP A 1 93  ? -32.595 -18.286 -3.738  1.00 29.77  ? 269  ASP A CA  1 
ATOM   542  C C   . ASP A 1 93  ? -32.283 -19.758 -3.505  1.00 31.03  ? 269  ASP A C   1 
ATOM   543  O O   . ASP A 1 93  ? -31.663 -20.410 -4.314  1.00 28.87  ? 269  ASP A O   1 
ATOM   544  C CB  . ASP A 1 93  ? -34.085 -18.080 -4.070  1.00 30.52  ? 269  ASP A CB  1 
ATOM   545  C CG  . ASP A 1 93  ? -34.973 -18.030 -2.834  1.00 33.55  ? 269  ASP A CG  1 
ATOM   546  O OD1 . ASP A 1 93  ? -34.515 -18.138 -1.645  1.00 32.25  ? 269  ASP A OD1 1 
ATOM   547  O OD2 . ASP A 1 93  ? -36.186 -17.896 -3.099  1.00 35.77  ? 269  ASP A OD2 1 
ATOM   548  N N   . MET A 1 94  ? -32.655 -20.238 -2.321  1.00 34.45  ? 270  MET A N   1 
ATOM   549  C CA  . MET A 1 94  ? -32.583 -21.663 -2.005  1.00 37.47  ? 270  MET A CA  1 
ATOM   550  C C   . MET A 1 94  ? -33.968 -22.206 -2.104  1.00 39.11  ? 270  MET A C   1 
ATOM   551  O O   . MET A 1 94  ? -34.928 -21.437 -2.066  1.00 42.57  ? 270  MET A O   1 
ATOM   552  C CB  . MET A 1 94  ? -32.091 -21.882 -0.599  1.00 39.30  ? 270  MET A CB  1 
ATOM   553  C CG  . MET A 1 94  ? -30.613 -21.780 -0.469  1.00 40.89  ? 270  MET A CG  1 
ATOM   554  S SD  . MET A 1 94  ? -30.172 -22.243 1.203   1.00 44.93  ? 270  MET A SD  1 
ATOM   555  C CE  . MET A 1 94  ? -28.403 -22.078 0.996   1.00 42.21  ? 270  MET A CE  1 
ATOM   556  N N   . THR A 1 95  ? -34.085 -23.514 -2.279  1.00 40.69  ? 271  THR A N   1 
ATOM   557  C CA  . THR A 1 95  ? -35.397 -24.123 -2.272  1.00 43.28  ? 271  THR A CA  1 
ATOM   558  C C   . THR A 1 95  ? -35.367 -25.633 -2.059  1.00 45.78  ? 271  THR A C   1 
ATOM   559  O O   . THR A 1 95  ? -34.543 -26.369 -2.638  1.00 42.69  ? 271  THR A O   1 
ATOM   560  C CB  . THR A 1 95  ? -36.252 -23.745 -3.520  1.00 43.04  ? 271  THR A CB  1 
ATOM   561  O OG1 . THR A 1 95  ? -37.585 -24.263 -3.374  1.00 43.69  ? 271  THR A OG1 1 
ATOM   562  C CG2 . THR A 1 95  ? -35.646 -24.259 -4.772  1.00 41.05  ? 271  THR A CG2 1 
ATOM   563  N N   . SER A 1 96  ? -36.344 -26.052 -1.261  1.00 46.49  ? 272  SER A N   1 
ATOM   564  C CA  . SER A 1 96  ? -36.452 -27.371 -0.719  1.00 49.76  ? 272  SER A CA  1 
ATOM   565  C C   . SER A 1 96  ? -37.123 -28.223 -1.766  1.00 52.32  ? 272  SER A C   1 
ATOM   566  O O   . SER A 1 96  ? -38.339 -28.218 -1.878  1.00 54.25  ? 272  SER A O   1 
ATOM   567  C CB  . SER A 1 96  ? -37.286 -27.267 0.555   1.00 50.74  ? 272  SER A CB  1 
ATOM   568  O OG  . SER A 1 96  ? -36.690 -26.342 1.470   1.00 50.92  ? 272  SER A OG  1 
ATOM   569  N N   . ARG A 1 97  ? -36.325 -28.943 -2.540  1.00 56.77  ? 273  ARG A N   1 
ATOM   570  C CA  . ARG A 1 97  ? -36.773 -29.446 -3.840  1.00 63.53  ? 273  ARG A CA  1 
ATOM   571  C C   . ARG A 1 97  ? -36.168 -30.814 -4.216  1.00 68.70  ? 273  ARG A C   1 
ATOM   572  O O   . ARG A 1 97  ? -34.932 -30.990 -4.258  1.00 65.28  ? 273  ARG A O   1 
ATOM   573  C CB  . ARG A 1 97  ? -36.451 -28.412 -4.942  1.00 63.02  ? 273  ARG A CB  1 
ATOM   574  C CG  . ARG A 1 97  ? -37.584 -28.043 -5.900  1.00 65.60  ? 273  ARG A CG  1 
ATOM   575  C CD  . ARG A 1 97  ? -38.356 -29.245 -6.434  1.00 68.12  ? 273  ARG A CD  1 
ATOM   576  N NE  . ARG A 1 97  ? -39.435 -29.671 -5.525  1.00 71.10  ? 273  ARG A NE  1 
ATOM   577  C CZ  . ARG A 1 97  ? -40.201 -30.756 -5.681  1.00 70.61  ? 273  ARG A CZ  1 
ATOM   578  N NH1 . ARG A 1 97  ? -41.136 -31.035 -4.766  1.00 67.05  ? 273  ARG A NH1 1 
ATOM   579  N NH2 . ARG A 1 97  ? -40.036 -31.570 -6.731  1.00 70.02  ? 273  ARG A NH2 1 
ATOM   580  N N   . HIS A 1 98  ? -37.068 -31.759 -4.505  1.00 75.33  ? 274  HIS A N   1 
ATOM   581  C CA  . HIS A 1 98  ? -36.757 -33.170 -4.743  1.00 77.98  ? 274  HIS A CA  1 
ATOM   582  C C   . HIS A 1 98  ? -36.308 -33.762 -3.386  1.00 76.16  ? 274  HIS A C   1 
ATOM   583  O O   . HIS A 1 98  ? -37.081 -33.670 -2.425  1.00 76.35  ? 274  HIS A O   1 
ATOM   584  C CB  . HIS A 1 98  ? -35.819 -33.356 -5.958  1.00 77.95  ? 274  HIS A CB  1 
ATOM   585  C CG  . HIS A 1 98  ? -36.411 -32.853 -7.250  1.00 83.12  ? 274  HIS A CG  1 
ATOM   586  N ND1 . HIS A 1 98  ? -37.338 -33.574 -7.980  1.00 85.28  ? 274  HIS A ND1 1 
ATOM   587  C CD2 . HIS A 1 98  ? -36.223 -31.696 -7.931  1.00 84.28  ? 274  HIS A CD2 1 
ATOM   588  C CE1 . HIS A 1 98  ? -37.688 -32.886 -9.053  1.00 84.28  ? 274  HIS A CE1 1 
ATOM   589  N NE2 . HIS A 1 98  ? -37.026 -31.743 -9.048  1.00 84.93  ? 274  HIS A NE2 1 
ATOM   590  N N   . SER A 1 99  ? -35.114 -34.341 -3.272  1.00 71.44  ? 275  SER A N   1 
ATOM   591  C CA  . SER A 1 99  ? -34.581 -34.706 -1.947  1.00 67.14  ? 275  SER A CA  1 
ATOM   592  C C   . SER A 1 99  ? -33.253 -33.999 -1.776  1.00 62.66  ? 275  SER A C   1 
ATOM   593  O O   . SER A 1 99  ? -32.178 -34.612 -1.702  1.00 64.91  ? 275  SER A O   1 
ATOM   594  C CB  . SER A 1 99  ? -34.478 -36.215 -1.800  1.00 70.02  ? 275  SER A CB  1 
ATOM   595  O OG  . SER A 1 99  ? -35.764 -36.746 -1.540  1.00 70.60  ? 275  SER A OG  1 
ATOM   596  N N   . SER A 1 100 ? -33.365 -32.674 -1.753  1.00 55.97  ? 276  SER A N   1 
ATOM   597  C CA  . SER A 1 100 ? -32.231 -31.769 -1.707  1.00 50.39  ? 276  SER A CA  1 
ATOM   598  C C   . SER A 1 100 ? -32.724 -30.359 -1.459  1.00 46.30  ? 276  SER A C   1 
ATOM   599  O O   . SER A 1 100 ? -33.916 -30.071 -1.529  1.00 43.78  ? 276  SER A O   1 
ATOM   600  C CB  . SER A 1 100 ? -31.430 -31.794 -3.030  1.00 51.17  ? 276  SER A CB  1 
ATOM   601  O OG  . SER A 1 100 ? -32.054 -31.008 -4.043  1.00 49.74  ? 276  SER A OG  1 
ATOM   602  N N   . THR A 1 101 ? -31.776 -29.494 -1.146  1.00 44.26  ? 277  THR A N   1 
ATOM   603  C CA  . THR A 1 101 ? -31.983 -28.057 -1.153  1.00 43.08  ? 277  THR A CA  1 
ATOM   604  C C   . THR A 1 101 ? -31.323 -27.541 -2.406  1.00 38.32  ? 277  THR A C   1 
ATOM   605  O O   . THR A 1 101 ? -30.091 -27.651 -2.557  1.00 39.08  ? 277  THR A O   1 
ATOM   606  C CB  . THR A 1 101 ? -31.321 -27.374 0.058   1.00 44.15  ? 277  THR A CB  1 
ATOM   607  O OG1 . THR A 1 101 ? -31.871 -27.930 1.250   1.00 47.63  ? 277  THR A OG1 1 
ATOM   608  C CG2 . THR A 1 101 ? -31.564 -25.847 0.026   1.00 43.55  ? 277  THR A CG2 1 
ATOM   609  N N   . GLN A 1 102 ? -32.109 -26.997 -3.318  1.00 34.79  ? 278  GLN A N   1 
ATOM   610  C CA  . GLN A 1 102 ? -31.541 -26.482 -4.553  1.00 33.23  ? 278  GLN A CA  1 
ATOM   611  C C   . GLN A 1 102 ? -31.095 -25.050 -4.409  1.00 31.28  ? 278  GLN A C   1 
ATOM   612  O O   . GLN A 1 102 ? -31.699 -24.265 -3.674  1.00 31.54  ? 278  GLN A O   1 
ATOM   613  C CB  . GLN A 1 102 ? -32.531 -26.588 -5.685  1.00 32.50  ? 278  GLN A CB  1 
ATOM   614  C CG  . GLN A 1 102 ? -32.985 -28.007 -5.913  1.00 33.18  ? 278  GLN A CG  1 
ATOM   615  C CD  . GLN A 1 102 ? -33.692 -28.138 -7.247  1.00 33.65  ? 278  GLN A CD  1 
ATOM   616  O OE1 . GLN A 1 102 ? -34.310 -27.196 -7.734  1.00 31.46  ? 278  GLN A OE1 1 
ATOM   617  N NE2 . GLN A 1 102 ? -33.558 -29.296 -7.861  1.00 35.47  ? 278  GLN A NE2 1 
ATOM   618  N N   . LEU A 1 103 ? -30.036 -24.749 -5.151  1.00 30.07  ? 279  LEU A N   1 
ATOM   619  C CA  . LEU A 1 103 ? -29.411 -23.453 -5.218  1.00 28.60  ? 279  LEU A CA  1 
ATOM   620  C C   . LEU A 1 103 ? -29.722 -22.896 -6.586  1.00 27.11  ? 279  LEU A C   1 
ATOM   621  O O   . LEU A 1 103 ? -29.280 -23.457 -7.582  1.00 26.85  ? 279  LEU A O   1 
ATOM   622  C CB  . LEU A 1 103 ? -27.889 -23.611 -5.083  1.00 27.89  ? 279  LEU A CB  1 
ATOM   623  C CG  . LEU A 1 103 ? -27.299 -24.184 -3.788  1.00 29.21  ? 279  LEU A CG  1 
ATOM   624  C CD1 . LEU A 1 103 ? -25.777 -24.054 -3.857  1.00 28.40  ? 279  LEU A CD1 1 
ATOM   625  C CD2 . LEU A 1 103 ? -27.801 -23.453 -2.577  1.00 29.30  ? 279  LEU A CD2 1 
ATOM   626  N N   . TRP A 1 104 ? -30.462 -21.790 -6.631  1.00 26.44  ? 280  TRP A N   1 
ATOM   627  C CA  . TRP A 1 104 ? -31.010 -21.282 -7.871  1.00 24.76  ? 280  TRP A CA  1 
ATOM   628  C C   . TRP A 1 104 ? -30.519 -19.894 -8.072  1.00 24.21  ? 280  TRP A C   1 
ATOM   629  O O   . TRP A 1 104 ? -30.554 -19.096 -7.149  1.00 22.60  ? 280  TRP A O   1 
ATOM   630  C CB  . TRP A 1 104 ? -32.529 -21.159 -7.811  1.00 24.95  ? 280  TRP A CB  1 
ATOM   631  C CG  . TRP A 1 104 ? -33.305 -22.387 -7.885  1.00 24.93  ? 280  TRP A CG  1 
ATOM   632  C CD1 . TRP A 1 104 ? -32.885 -23.663 -7.692  1.00 25.05  ? 280  TRP A CD1 1 
ATOM   633  C CD2 . TRP A 1 104 ? -34.716 -22.450 -8.099  1.00 25.03  ? 280  TRP A CD2 1 
ATOM   634  N NE1 . TRP A 1 104 ? -33.955 -24.532 -7.807  1.00 25.56  ? 280  TRP A NE1 1 
ATOM   635  C CE2 . TRP A 1 104 ? -35.092 -23.811 -8.043  1.00 25.52  ? 280  TRP A CE2 1 
ATOM   636  C CE3 . TRP A 1 104 ? -35.700 -21.482 -8.341  1.00 25.17  ? 280  TRP A CE3 1 
ATOM   637  C CZ2 . TRP A 1 104 ? -36.399 -24.245 -8.305  1.00 26.09  ? 280  TRP A CZ2 1 
ATOM   638  C CZ3 . TRP A 1 104 ? -37.034 -21.916 -8.599  1.00 25.58  ? 280  TRP A CZ3 1 
ATOM   639  C CH2 . TRP A 1 104 ? -37.358 -23.289 -8.549  1.00 26.14  ? 280  TRP A CH2 1 
ATOM   640  N N   . LEU A 1 105 ? -30.101 -19.603 -9.316  1.00 23.97  ? 281  LEU A N   1 
ATOM   641  C CA  . LEU A 1 105 ? -29.829 -18.251 -9.707  1.00 24.27  ? 281  LEU A CA  1 
ATOM   642  C C   . LEU A 1 105 ? -30.756 -17.873 -10.862 1.00 23.32  ? 281  LEU A C   1 
ATOM   643  O O   . LEU A 1 105 ? -30.723 -18.508 -11.938 1.00 23.71  ? 281  LEU A O   1 
ATOM   644  C CB  . LEU A 1 105 ? -28.352 -18.144 -10.099 1.00 25.27  ? 281  LEU A CB  1 
ATOM   645  C CG  . LEU A 1 105 ? -27.866 -16.819 -10.644 1.00 27.23  ? 281  LEU A CG  1 
ATOM   646  C CD1 . LEU A 1 105 ? -28.136 -15.722 -9.668  1.00 28.38  ? 281  LEU A CD1 1 
ATOM   647  C CD2 . LEU A 1 105 ? -26.374 -16.879 -10.958 1.00 30.18  ? 281  LEU A CD2 1 
ATOM   648  N N   . ILE A 1 106 ? -31.476 -16.772 -10.661 1.00 22.65  ? 282  ILE A N   1 
ATOM   649  C CA  . ILE A 1 106 ? -32.600 -16.401 -11.491 1.00 22.91  ? 282  ILE A CA  1 
ATOM   650  C C   . ILE A 1 106 ? -32.247 -15.117 -12.215 1.00 23.13  ? 282  ILE A C   1 
ATOM   651  O O   . ILE A 1 106 ? -31.869 -14.114 -11.624 1.00 22.03  ? 282  ILE A O   1 
ATOM   652  C CB  . ILE A 1 106 ? -33.927 -16.297 -10.659 1.00 23.06  ? 282  ILE A CB  1 
ATOM   653  C CG1 . ILE A 1 106 ? -34.245 -17.628 -9.971  1.00 23.41  ? 282  ILE A CG1 1 
ATOM   654  C CG2 . ILE A 1 106 ? -35.105 -15.968 -11.540 1.00 23.54  ? 282  ILE A CG2 1 
ATOM   655  C CD1 . ILE A 1 106 ? -34.668 -17.481 -8.502  1.00 24.03  ? 282  ILE A CD1 1 
ATOM   656  N N   . THR A 1 107 ? -32.357 -15.181 -13.535 1.00 24.98  ? 283  THR A N   1 
ATOM   657  C CA  . THR A 1 107 ? -32.008 -14.064 -14.406 1.00 25.87  ? 283  THR A CA  1 
ATOM   658  C C   . THR A 1 107 ? -32.999 -13.952 -15.528 1.00 27.15  ? 283  THR A C   1 
ATOM   659  O O   . THR A 1 107 ? -33.784 -14.880 -15.792 1.00 27.51  ? 283  THR A O   1 
ATOM   660  C CB  . THR A 1 107 ? -30.613 -14.284 -15.026 1.00 25.77  ? 283  THR A CB  1 
ATOM   661  O OG1 . THR A 1 107 ? -30.628 -15.465 -15.836 1.00 24.68  ? 283  THR A OG1 1 
ATOM   662  C CG2 . THR A 1 107 ? -29.570 -14.446 -13.911 1.00 25.63  ? 283  THR A CG2 1 
ATOM   663  N N   . HIS A 1 108 ? -32.925 -12.824 -16.222 1.00 29.70  ? 284  HIS A N   1 
ATOM   664  C CA  . HIS A 1 108 ? -33.573 -12.688 -17.542 1.00 31.49  ? 284  HIS A CA  1 
ATOM   665  C C   . HIS A 1 108 ? -33.284 -13.893 -18.444 1.00 29.99  ? 284  HIS A C   1 
ATOM   666  O O   . HIS A 1 108 ? -32.301 -14.598 -18.279 1.00 28.91  ? 284  HIS A O   1 
ATOM   667  C CB  . HIS A 1 108 ? -33.154 -11.395 -18.250 1.00 33.09  ? 284  HIS A CB  1 
ATOM   668  C CG  . HIS A 1 108 ? -33.651 -10.145 -17.578 1.00 36.75  ? 284  HIS A CG  1 
ATOM   669  N ND1 . HIS A 1 108 ? -33.006 -8.931  -17.694 1.00 37.36  ? 284  HIS A ND1 1 
ATOM   670  C CD2 . HIS A 1 108 ? -34.734 -9.920  -16.788 1.00 41.08  ? 284  HIS A CD2 1 
ATOM   671  C CE1 . HIS A 1 108 ? -33.655 -8.015  -16.995 1.00 41.03  ? 284  HIS A CE1 1 
ATOM   672  N NE2 . HIS A 1 108 ? -34.713 -8.587  -16.436 1.00 42.44  ? 284  HIS A NE2 1 
ATOM   673  N N   . TYR A 1 109 ? -34.202 -14.140 -19.367 1.00 31.54  ? 285  TYR A N   1 
ATOM   674  C CA  . TYR A 1 109 ? -34.178 -15.293 -20.266 1.00 30.84  ? 285  TYR A CA  1 
ATOM   675  C C   . TYR A 1 109 ? -33.910 -14.880 -21.720 1.00 29.33  ? 285  TYR A C   1 
ATOM   676  O O   . TYR A 1 109 ? -34.576 -13.982 -22.248 1.00 31.79  ? 285  TYR A O   1 
ATOM   677  C CB  . TYR A 1 109 ? -35.535 -15.972 -20.225 1.00 30.06  ? 285  TYR A CB  1 
ATOM   678  C CG  . TYR A 1 109 ? -35.565 -17.233 -21.062 1.00 29.17  ? 285  TYR A CG  1 
ATOM   679  C CD1 . TYR A 1 109 ? -34.896 -18.358 -20.625 1.00 27.94  ? 285  TYR A CD1 1 
ATOM   680  C CD2 . TYR A 1 109 ? -36.273 -17.301 -22.284 1.00 28.95  ? 285  TYR A CD2 1 
ATOM   681  C CE1 . TYR A 1 109 ? -34.923 -19.531 -21.346 1.00 28.15  ? 285  TYR A CE1 1 
ATOM   682  C CE2 . TYR A 1 109 ? -36.303 -18.483 -23.016 1.00 28.55  ? 285  TYR A CE2 1 
ATOM   683  C CZ  . TYR A 1 109 ? -35.622 -19.597 -22.548 1.00 28.71  ? 285  TYR A CZ  1 
ATOM   684  O OH  . TYR A 1 109 ? -35.590 -20.820 -23.221 1.00 28.84  ? 285  TYR A OH  1 
ATOM   685  N N   . HIS A 1 110 ? -32.980 -15.561 -22.377 1.00 29.36  ? 286  HIS A N   1 
ATOM   686  C CA  . HIS A 1 110 ? -32.681 -15.299 -23.815 1.00 28.34  ? 286  HIS A CA  1 
ATOM   687  C C   . HIS A 1 110 ? -32.946 -16.557 -24.589 1.00 28.84  ? 286  HIS A C   1 
ATOM   688  O O   . HIS A 1 110 ? -32.218 -17.551 -24.506 1.00 26.24  ? 286  HIS A O   1 
ATOM   689  C CB  . HIS A 1 110 ? -31.290 -14.764 -23.950 1.00 27.60  ? 286  HIS A CB  1 
ATOM   690  C CG  . HIS A 1 110 ? -31.129 -13.448 -23.256 1.00 27.39  ? 286  HIS A CG  1 
ATOM   691  N ND1 . HIS A 1 110 ? -31.812 -12.323 -23.651 1.00 28.67  ? 286  HIS A ND1 1 
ATOM   692  C CD2 . HIS A 1 110 ? -30.418 -13.087 -22.163 1.00 27.35  ? 286  HIS A CD2 1 
ATOM   693  C CE1 . HIS A 1 110 ? -31.518 -11.320 -22.841 1.00 29.23  ? 286  HIS A CE1 1 
ATOM   694  N NE2 . HIS A 1 110 ? -30.670 -11.757 -21.927 1.00 28.17  ? 286  HIS A NE2 1 
ATOM   695  N N   . GLU A 1 111 ? -34.051 -16.528 -25.343 1.00 30.83  ? 287  GLU A N   1 
ATOM   696  C CA  . GLU A 1 111 ? -34.523 -17.745 -25.987 1.00 32.49  ? 287  GLU A CA  1 
ATOM   697  C C   . GLU A 1 111 ? -33.554 -18.347 -27.011 1.00 32.99  ? 287  GLU A C   1 
ATOM   698  O O   . GLU A 1 111 ? -33.528 -19.578 -27.190 1.00 33.80  ? 287  GLU A O   1 
ATOM   699  C CB  . GLU A 1 111 ? -35.893 -17.531 -26.617 1.00 35.26  ? 287  GLU A CB  1 
ATOM   700  C CG  . GLU A 1 111 ? -35.939 -16.497 -27.728 1.00 35.45  ? 287  GLU A CG  1 
ATOM   701  C CD  . GLU A 1 111 ? -37.374 -16.176 -28.005 1.00 37.32  ? 287  GLU A CD  1 
ATOM   702  O OE1 . GLU A 1 111 ? -37.997 -17.088 -28.574 1.00 39.47  ? 287  GLU A OE1 1 
ATOM   703  O OE2 . GLU A 1 111 ? -37.869 -15.088 -27.603 1.00 35.71  ? 287  GLU A OE2 1 
ATOM   704  N N   . MET A 1 112 ? -32.750 -17.505 -27.659 1.00 33.64  ? 288  MET A N   1 
ATOM   705  C CA  . MET A 1 112 ? -31.690 -18.017 -28.565 1.00 35.31  ? 288  MET A CA  1 
ATOM   706  C C   . MET A 1 112 ? -30.698 -18.946 -27.864 1.00 32.66  ? 288  MET A C   1 
ATOM   707  O O   . MET A 1 112 ? -30.044 -19.742 -28.534 1.00 35.00  ? 288  MET A O   1 
ATOM   708  C CB  . MET A 1 112 ? -30.824 -16.900 -29.195 1.00 35.69  ? 288  MET A CB  1 
ATOM   709  C CG  . MET A 1 112 ? -31.501 -15.902 -30.114 1.00 38.49  ? 288  MET A CG  1 
ATOM   710  S SD  . MET A 1 112 ? -32.286 -16.660 -31.541 1.00 38.93  ? 288  MET A SD  1 
ATOM   711  C CE  . MET A 1 112 ? -33.971 -16.794 -30.936 1.00 39.87  ? 288  MET A CE  1 
ATOM   712  N N   . GLY A 1 113 ? -30.521 -18.800 -26.547 1.00 30.31  ? 289  GLY A N   1 
ATOM   713  C CA  . GLY A 1 113 ? -29.603 -19.646 -25.807 1.00 27.02  ? 289  GLY A CA  1 
ATOM   714  C C   . GLY A 1 113 ? -28.218 -19.042 -25.894 1.00 25.88  ? 289  GLY A C   1 
ATOM   715  O O   . GLY A 1 113 ? -28.066 -17.828 -26.118 1.00 23.75  ? 289  GLY A O   1 
ATOM   716  N N   . SER A 1 114 ? -27.212 -19.888 -25.694 1.00 24.91  ? 290  SER A N   1 
ATOM   717  C CA  . SER A 1 114 ? -25.839 -19.427 -25.726 1.00 25.25  ? 290  SER A CA  1 
ATOM   718  C C   . SER A 1 114 ? -25.349 -19.218 -27.158 1.00 25.91  ? 290  SER A C   1 
ATOM   719  O O   . SER A 1 114 ? -25.969 -19.649 -28.126 1.00 25.21  ? 290  SER A O   1 
ATOM   720  C CB  . SER A 1 114 ? -24.935 -20.416 -25.010 1.00 26.31  ? 290  SER A CB  1 
ATOM   721  O OG  . SER A 1 114 ? -24.978 -21.713 -25.610 1.00 28.05  ? 290  SER A OG  1 
ATOM   722  N N   . LEU A 1 115 ? -24.212 -18.550 -27.259 1.00 24.92  ? 291  LEU A N   1 
ATOM   723  C CA  . LEU A 1 115 ? -23.489 -18.451 -28.502 1.00 24.63  ? 291  LEU A CA  1 
ATOM   724  C C   . LEU A 1 115 ? -23.193 -19.852 -29.052 1.00 24.20  ? 291  LEU A C   1 
ATOM   725  O O   . LEU A 1 115 ? -23.324 -20.121 -30.272 1.00 24.97  ? 291  LEU A O   1 
ATOM   726  C CB  . LEU A 1 115 ? -22.216 -17.625 -28.276 1.00 24.25  ? 291  LEU A CB  1 
ATOM   727  C CG  . LEU A 1 115 ? -21.571 -16.796 -29.397 1.00 25.01  ? 291  LEU A CG  1 
ATOM   728  C CD1 . LEU A 1 115 ? -22.460 -16.344 -30.565 1.00 26.38  ? 291  LEU A CD1 1 
ATOM   729  C CD2 . LEU A 1 115 ? -20.926 -15.567 -28.777 1.00 25.51  ? 291  LEU A CD2 1 
ATOM   730  N N   . TYR A 1 116 ? -22.797 -20.743 -28.168 1.00 22.80  ? 292  TYR A N   1 
ATOM   731  C CA  . TYR A 1 116 ? -22.554 -22.120 -28.540 1.00 23.43  ? 292  TYR A CA  1 
ATOM   732  C C   . TYR A 1 116 ? -23.730 -22.678 -29.262 1.00 25.28  ? 292  TYR A C   1 
ATOM   733  O O   . TYR A 1 116 ? -23.596 -23.130 -30.400 1.00 26.13  ? 292  TYR A O   1 
ATOM   734  C CB  . TYR A 1 116 ? -22.185 -22.948 -27.329 1.00 23.71  ? 292  TYR A CB  1 
ATOM   735  C CG  . TYR A 1 116 ? -21.959 -24.420 -27.578 1.00 24.85  ? 292  TYR A CG  1 
ATOM   736  C CD1 . TYR A 1 116 ? -20.695 -24.905 -28.024 1.00 24.50  ? 292  TYR A CD1 1 
ATOM   737  C CD2 . TYR A 1 116 ? -22.969 -25.338 -27.344 1.00 24.96  ? 292  TYR A CD2 1 
ATOM   738  C CE1 . TYR A 1 116 ? -20.484 -26.259 -28.226 1.00 25.36  ? 292  TYR A CE1 1 
ATOM   739  C CE2 . TYR A 1 116 ? -22.759 -26.691 -27.540 1.00 26.55  ? 292  TYR A CE2 1 
ATOM   740  C CZ  . TYR A 1 116 ? -21.519 -27.138 -27.987 1.00 28.03  ? 292  TYR A CZ  1 
ATOM   741  O OH  . TYR A 1 116 ? -21.337 -28.491 -28.201 1.00 32.99  ? 292  TYR A OH  1 
ATOM   742  N N   . ASP A 1 117 ? -24.910 -22.569 -28.647 1.00 26.93  ? 293  ASP A N   1 
ATOM   743  C CA  . ASP A 1 117 ? -26.142 -23.135 -29.218 1.00 28.12  ? 293  ASP A CA  1 
ATOM   744  C C   . ASP A 1 117 ? -26.479 -22.487 -30.541 1.00 26.93  ? 293  ASP A C   1 
ATOM   745  O O   . ASP A 1 117 ? -26.740 -23.167 -31.502 1.00 28.02  ? 293  ASP A O   1 
ATOM   746  C CB  . ASP A 1 117 ? -27.359 -22.905 -28.292 1.00 29.14  ? 293  ASP A CB  1 
ATOM   747  C CG  . ASP A 1 117 ? -27.179 -23.465 -26.889 1.00 30.24  ? 293  ASP A CG  1 
ATOM   748  O OD1 . ASP A 1 117 ? -26.980 -24.699 -26.778 1.00 33.80  ? 293  ASP A OD1 1 
ATOM   749  O OD2 . ASP A 1 117 ? -27.281 -22.673 -25.912 1.00 28.24  ? 293  ASP A OD2 1 
ATOM   750  N N   . TYR A 1 118 ? -26.491 -21.159 -30.541 1.00 26.15  ? 294  TYR A N   1 
ATOM   751  C CA  . TYR A 1 118 ? -26.863 -20.326 -31.648 1.00 26.75  ? 294  TYR A CA  1 
ATOM   752  C C   . TYR A 1 118 ? -25.999 -20.482 -32.885 1.00 28.31  ? 294  TYR A C   1 
ATOM   753  O O   . TYR A 1 118 ? -26.504 -20.682 -33.994 1.00 28.08  ? 294  TYR A O   1 
ATOM   754  C CB  . TYR A 1 118 ? -26.802 -18.889 -31.175 1.00 27.01  ? 294  TYR A CB  1 
ATOM   755  C CG  . TYR A 1 118 ? -27.213 -17.864 -32.225 1.00 29.15  ? 294  TYR A CG  1 
ATOM   756  C CD1 . TYR A 1 118 ? -28.582 -17.687 -32.612 1.00 30.36  ? 294  TYR A CD1 1 
ATOM   757  C CD2 . TYR A 1 118 ? -26.263 -17.038 -32.783 1.00 28.18  ? 294  TYR A CD2 1 
ATOM   758  C CE1 . TYR A 1 118 ? -28.936 -16.724 -33.558 1.00 30.97  ? 294  TYR A CE1 1 
ATOM   759  C CE2 . TYR A 1 118 ? -26.593 -16.079 -33.677 1.00 30.07  ? 294  TYR A CE2 1 
ATOM   760  C CZ  . TYR A 1 118 ? -27.917 -15.913 -34.094 1.00 31.87  ? 294  TYR A CZ  1 
ATOM   761  O OH  . TYR A 1 118 ? -28.144 -14.919 -35.022 1.00 30.07  ? 294  TYR A OH  1 
ATOM   762  N N   . LEU A 1 119 ? -24.682 -20.389 -32.701 1.00 27.59  ? 295  LEU A N   1 
ATOM   763  C CA  . LEU A 1 119 ? -23.758 -20.616 -33.795 1.00 28.44  ? 295  LEU A CA  1 
ATOM   764  C C   . LEU A 1 119 ? -24.013 -21.949 -34.479 1.00 30.87  ? 295  LEU A C   1 
ATOM   765  O O   . LEU A 1 119 ? -23.783 -22.054 -35.680 1.00 31.80  ? 295  LEU A O   1 
ATOM   766  C CB  . LEU A 1 119 ? -22.290 -20.537 -33.328 1.00 26.52  ? 295  LEU A CB  1 
ATOM   767  C CG  . LEU A 1 119 ? -21.828 -19.172 -32.843 1.00 24.98  ? 295  LEU A CG  1 
ATOM   768  C CD1 . LEU A 1 119 ? -20.468 -19.249 -32.157 1.00 25.01  ? 295  LEU A CD1 1 
ATOM   769  C CD2 . LEU A 1 119 ? -21.845 -18.165 -33.965 1.00 26.08  ? 295  LEU A CD2 1 
ATOM   770  N N   . GLN A 1 120 ? -24.507 -22.956 -33.758 1.00 32.64  ? 296  GLN A N   1 
ATOM   771  C CA  . GLN A 1 120 ? -24.750 -24.253 -34.398 1.00 35.92  ? 296  GLN A CA  1 
ATOM   772  C C   . GLN A 1 120 ? -26.005 -24.340 -35.257 1.00 39.23  ? 296  GLN A C   1 
ATOM   773  O O   . GLN A 1 120 ? -26.103 -25.248 -36.077 1.00 39.31  ? 296  GLN A O   1 
ATOM   774  C CB  . GLN A 1 120 ? -24.769 -25.364 -33.381 1.00 35.59  ? 296  GLN A CB  1 
ATOM   775  C CG  . GLN A 1 120 ? -23.424 -25.604 -32.757 1.00 34.85  ? 296  GLN A CG  1 
ATOM   776  C CD  . GLN A 1 120 ? -23.488 -26.763 -31.811 1.00 35.66  ? 296  GLN A CD  1 
ATOM   777  O OE1 . GLN A 1 120 ? -23.622 -27.919 -32.231 1.00 34.67  ? 296  GLN A OE1 1 
ATOM   778  N NE2 . GLN A 1 120 ? -23.403 -26.469 -30.522 1.00 35.25  ? 296  GLN A NE2 1 
ATOM   779  N N   . LEU A 1 121 ? -26.947 -23.412 -35.076 1.00 42.25  ? 297  LEU A N   1 
ATOM   780  C CA  . LEU A 1 121 ? -28.203 -23.394 -35.849 1.00 44.62  ? 297  LEU A CA  1 
ATOM   781  C C   . LEU A 1 121 ? -28.160 -22.494 -37.060 1.00 46.48  ? 297  LEU A C   1 
ATOM   782  O O   . LEU A 1 121 ? -29.071 -22.572 -37.917 1.00 48.23  ? 297  LEU A O   1 
ATOM   783  C CB  . LEU A 1 121 ? -29.350 -22.855 -35.001 1.00 45.50  ? 297  LEU A CB  1 
ATOM   784  C CG  . LEU A 1 121 ? -29.680 -23.557 -33.711 1.00 45.78  ? 297  LEU A CG  1 
ATOM   785  C CD1 . LEU A 1 121 ? -30.661 -22.677 -32.972 1.00 47.58  ? 297  LEU A CD1 1 
ATOM   786  C CD2 . LEU A 1 121 ? -30.271 -24.927 -33.978 1.00 47.00  ? 297  LEU A CD2 1 
ATOM   787  N N   . THR A 1 122 ? -27.180 -21.592 -37.116 1.00 43.86  ? 298  THR A N   1 
ATOM   788  C CA  . THR A 1 122 ? -27.177 -20.582 -38.172 1.00 42.96  ? 298  THR A CA  1 
ATOM   789  C C   . THR A 1 122 ? -25.822 -20.002 -38.493 1.00 39.32  ? 298  THR A C   1 
ATOM   790  O O   . THR A 1 122 ? -24.888 -20.107 -37.721 1.00 39.18  ? 298  THR A O   1 
ATOM   791  C CB  . THR A 1 122 ? -28.109 -19.410 -37.794 1.00 44.02  ? 298  THR A CB  1 
ATOM   792  O OG1 . THR A 1 122 ? -28.359 -18.598 -38.946 1.00 43.68  ? 298  THR A OG1 1 
ATOM   793  C CG2 . THR A 1 122 ? -27.512 -18.561 -36.663 1.00 41.24  ? 298  THR A CG2 1 
ATOM   794  N N   . THR A 1 123 ? -25.784 -19.334 -39.631 1.00 37.14  ? 299  THR A N   1 
ATOM   795  C CA  . THR A 1 123 ? -24.634 -18.633 -40.134 1.00 36.44  ? 299  THR A CA  1 
ATOM   796  C C   . THR A 1 123 ? -24.900 -17.142 -39.985 1.00 37.36  ? 299  THR A C   1 
ATOM   797  O O   . THR A 1 123 ? -26.068 -16.703 -39.853 1.00 36.02  ? 299  THR A O   1 
ATOM   798  C CB  . THR A 1 123 ? -24.391 -18.996 -41.613 1.00 36.97  ? 299  THR A CB  1 
ATOM   799  O OG1 . THR A 1 123 ? -25.443 -18.461 -42.433 1.00 37.00  ? 299  THR A OG1 1 
ATOM   800  C CG2 . THR A 1 123 ? -24.337 -20.524 -41.786 1.00 36.59  ? 299  THR A CG2 1 
ATOM   801  N N   . LEU A 1 124 ? -23.808 -16.373 -40.020 1.00 37.24  ? 300  LEU A N   1 
ATOM   802  C CA  . LEU A 1 124 ? -23.843 -14.932 -39.823 1.00 37.67  ? 300  LEU A CA  1 
ATOM   803  C C   . LEU A 1 124 ? -23.454 -14.217 -41.106 1.00 39.98  ? 300  LEU A C   1 
ATOM   804  O O   . LEU A 1 124 ? -22.877 -14.808 -42.017 1.00 39.64  ? 300  LEU A O   1 
ATOM   805  C CB  . LEU A 1 124 ? -22.892 -14.560 -38.685 1.00 37.84  ? 300  LEU A CB  1 
ATOM   806  C CG  . LEU A 1 124 ? -22.974 -15.390 -37.391 1.00 35.33  ? 300  LEU A CG  1 
ATOM   807  C CD1 . LEU A 1 124 ? -21.849 -15.002 -36.427 1.00 34.02  ? 300  LEU A CD1 1 
ATOM   808  C CD2 . LEU A 1 124 ? -24.351 -15.218 -36.757 1.00 35.75  ? 300  LEU A CD2 1 
ATOM   809  N N   . ASP A 1 125 ? -23.824 -12.943 -41.180 1.00 42.81  ? 301  ASP A N   1 
ATOM   810  C CA  . ASP A 1 125 ? -23.373 -12.021 -42.223 1.00 43.41  ? 301  ASP A CA  1 
ATOM   811  C C   . ASP A 1 125 ? -22.422 -11.033 -41.555 1.00 42.75  ? 301  ASP A C   1 
ATOM   812  O O   . ASP A 1 125 ? -22.180 -11.110 -40.332 1.00 38.14  ? 301  ASP A O   1 
ATOM   813  C CB  . ASP A 1 125 ? -24.561 -11.299 -42.899 1.00 47.40  ? 301  ASP A CB  1 
ATOM   814  C CG  . ASP A 1 125 ? -25.378 -10.408 -41.945 1.00 50.16  ? 301  ASP A CG  1 
ATOM   815  O OD1 . ASP A 1 125 ? -24.838 -9.822  -40.980 1.00 52.56  ? 301  ASP A OD1 1 
ATOM   816  O OD2 . ASP A 1 125 ? -26.600 -10.285 -42.167 1.00 54.23  ? 301  ASP A OD2 1 
ATOM   817  N N   . THR A 1 126 ? -21.888 -10.114 -42.354 1.00 43.36  ? 302  THR A N   1 
ATOM   818  C CA  . THR A 1 126 ? -20.961 -9.088  -41.865 1.00 44.40  ? 302  THR A CA  1 
ATOM   819  C C   . THR A 1 126 ? -21.518 -8.401  -40.616 1.00 43.32  ? 302  THR A C   1 
ATOM   820  O O   . THR A 1 126 ? -20.900 -8.408  -39.560 1.00 39.73  ? 302  THR A O   1 
ATOM   821  C CB  . THR A 1 126 ? -20.654 -8.057  -42.967 1.00 47.46  ? 302  THR A CB  1 
ATOM   822  O OG1 . THR A 1 126 ? -19.881 -8.695  -43.991 1.00 46.60  ? 302  THR A OG1 1 
ATOM   823  C CG2 . THR A 1 126 ? -19.858 -6.862  -42.421 1.00 49.04  ? 302  THR A CG2 1 
ATOM   824  N N   . VAL A 1 127 ? -22.713 -7.863  -40.765 1.00 43.90  ? 303  VAL A N   1 
ATOM   825  C CA  . VAL A 1 127 ? -23.347 -7.015  -39.763 1.00 43.97  ? 303  VAL A CA  1 
ATOM   826  C C   . VAL A 1 127 ? -23.617 -7.776  -38.454 1.00 40.76  ? 303  VAL A C   1 
ATOM   827  O O   . VAL A 1 127 ? -23.355 -7.257  -37.376 1.00 40.32  ? 303  VAL A O   1 
ATOM   828  C CB  . VAL A 1 127 ? -24.648 -6.408  -40.364 1.00 47.25  ? 303  VAL A CB  1 
ATOM   829  C CG1 . VAL A 1 127 ? -25.409 -5.553  -39.352 1.00 48.10  ? 303  VAL A CG1 1 
ATOM   830  C CG2 . VAL A 1 127 ? -24.321 -5.597  -41.629 1.00 48.79  ? 303  VAL A CG2 1 
ATOM   831  N N   . SER A 1 128 ? -24.129 -9.005  -38.565 1.00 39.20  ? 304  SER A N   1 
ATOM   832  C CA  . SER A 1 128 ? -24.507 -9.840  -37.407 1.00 35.90  ? 304  SER A CA  1 
ATOM   833  C C   . SER A 1 128 ? -23.284 -10.422 -36.706 1.00 34.26  ? 304  SER A C   1 
ATOM   834  O O   . SER A 1 128 ? -23.298 -10.647 -35.483 1.00 30.37  ? 304  SER A O   1 
ATOM   835  C CB  . SER A 1 128 ? -25.389 -11.011 -37.846 1.00 36.27  ? 304  SER A CB  1 
ATOM   836  O OG  . SER A 1 128 ? -24.755 -11.776 -38.865 1.00 37.72  ? 304  SER A OG  1 
ATOM   837  N N   . CYS A 1 129 ? -22.263 -10.717 -37.500 1.00 32.43  ? 305  CYS A N   1 
ATOM   838  C CA  . CYS A 1 129 ? -20.978 -11.079 -36.953 1.00 32.21  ? 305  CYS A CA  1 
ATOM   839  C C   . CYS A 1 129 ? -20.374 -9.942  -36.122 1.00 31.65  ? 305  CYS A C   1 
ATOM   840  O O   . CYS A 1 129 ? -20.071 -10.152 -34.932 1.00 29.60  ? 305  CYS A O   1 
ATOM   841  C CB  . CYS A 1 129 ? -20.037 -11.512 -38.040 1.00 33.27  ? 305  CYS A CB  1 
ATOM   842  S SG  . CYS A 1 129 ? -18.367 -11.818 -37.447 1.00 34.93  ? 305  CYS A SG  1 
ATOM   843  N N   . LEU A 1 130 ? -20.260 -8.752  -36.714 1.00 31.97  ? 306  LEU A N   1 
ATOM   844  C CA  . LEU A 1 130 ? -19.714 -7.578  -36.022 1.00 33.22  ? 306  LEU A CA  1 
ATOM   845  C C   . LEU A 1 130 ? -20.487 -7.186  -34.753 1.00 34.56  ? 306  LEU A C   1 
ATOM   846  O O   . LEU A 1 130 ? -19.874 -6.895  -33.732 1.00 32.44  ? 306  LEU A O   1 
ATOM   847  C CB  . LEU A 1 130 ? -19.574 -6.370  -36.973 1.00 35.18  ? 306  LEU A CB  1 
ATOM   848  C CG  . LEU A 1 130 ? -18.419 -6.478  -38.018 1.00 35.52  ? 306  LEU A CG  1 
ATOM   849  C CD1 . LEU A 1 130 ? -18.333 -5.301  -38.992 1.00 36.52  ? 306  LEU A CD1 1 
ATOM   850  C CD2 . LEU A 1 130 ? -17.072 -6.666  -37.323 1.00 34.16  ? 306  LEU A CD2 1 
ATOM   851  N N   . ARG A 1 131 ? -21.818 -7.224  -34.826 1.00 35.08  ? 307  ARG A N   1 
ATOM   852  C CA  . ARG A 1 131 ? -22.698 -6.949  -33.693 1.00 35.64  ? 307  ARG A CA  1 
ATOM   853  C C   . ARG A 1 131 ? -22.482 -7.921  -32.512 1.00 34.69  ? 307  ARG A C   1 
ATOM   854  O O   . ARG A 1 131 ? -22.304 -7.495  -31.347 1.00 34.37  ? 307  ARG A O   1 
ATOM   855  C CB  . ARG A 1 131 ? -24.151 -6.996  -34.197 1.00 38.68  ? 307  ARG A CB  1 
ATOM   856  C CG  . ARG A 1 131 ? -25.213 -6.742  -33.150 1.00 39.56  ? 307  ARG A CG  1 
ATOM   857  C CD  . ARG A 1 131 ? -26.591 -6.829  -33.752 1.00 41.68  ? 307  ARG A CD  1 
ATOM   858  N NE  . ARG A 1 131 ? -26.892 -5.655  -34.572 1.00 43.26  ? 307  ARG A NE  1 
ATOM   859  C CZ  . ARG A 1 131 ? -27.692 -5.634  -35.632 1.00 45.72  ? 307  ARG A CZ  1 
ATOM   860  N NH1 . ARG A 1 131 ? -28.316 -6.736  -36.051 1.00 45.34  ? 307  ARG A NH1 1 
ATOM   861  N NH2 . ARG A 1 131 ? -27.860 -4.485  -36.296 1.00 47.99  ? 307  ARG A NH2 1 
ATOM   862  N N   . ILE A 1 132 ? -22.477 -9.223  -32.807 1.00 32.88  ? 308  ILE A N   1 
ATOM   863  C CA  . ILE A 1 132 ? -22.111 -10.231 -31.819 1.00 31.75  ? 308  ILE A CA  1 
ATOM   864  C C   . ILE A 1 132 ? -20.774 -9.934  -31.137 1.00 31.20  ? 308  ILE A C   1 
ATOM   865  O O   . ILE A 1 132 ? -20.732 -9.820  -29.913 1.00 28.48  ? 308  ILE A O   1 
ATOM   866  C CB  . ILE A 1 132 ? -22.020 -11.638 -32.447 1.00 33.15  ? 308  ILE A CB  1 
ATOM   867  C CG1 . ILE A 1 132 ? -23.421 -12.183 -32.709 1.00 34.73  ? 308  ILE A CG1 1 
ATOM   868  C CG2 . ILE A 1 132 ? -21.269 -12.616 -31.541 1.00 32.47  ? 308  ILE A CG2 1 
ATOM   869  C CD1 . ILE A 1 132 ? -23.435 -13.440 -33.550 1.00 36.01  ? 308  ILE A CD1 1 
ATOM   870  N N   . VAL A 1 133 ? -19.686 -9.850  -31.915 1.00 29.00  ? 309  VAL A N   1 
ATOM   871  C CA  . VAL A 1 133 ? -18.348 -9.745  -31.321 1.00 29.92  ? 309  VAL A CA  1 
ATOM   872  C C   . VAL A 1 133 ? -18.079 -8.382  -30.667 1.00 30.49  ? 309  VAL A C   1 
ATOM   873  O O   . VAL A 1 133 ? -17.433 -8.333  -29.596 1.00 29.79  ? 309  VAL A O   1 
ATOM   874  C CB  . VAL A 1 133 ? -17.185 -10.144 -32.273 1.00 30.01  ? 309  VAL A CB  1 
ATOM   875  C CG1 . VAL A 1 133 ? -17.321 -11.589 -32.741 1.00 30.37  ? 309  VAL A CG1 1 
ATOM   876  C CG2 . VAL A 1 133 ? -17.035 -9.206  -33.456 1.00 31.55  ? 309  VAL A CG2 1 
ATOM   877  N N   . LEU A 1 134 ? -18.573 -7.294  -31.263 1.00 30.34  ? 310  LEU A N   1 
ATOM   878  C CA  . LEU A 1 134 ? -18.453 -5.982  -30.626 1.00 32.01  ? 310  LEU A CA  1 
ATOM   879  C C   . LEU A 1 134 ? -19.149 -5.989  -29.250 1.00 32.89  ? 310  LEU A C   1 
ATOM   880  O O   . LEU A 1 134 ? -18.602 -5.539  -28.266 1.00 32.61  ? 310  LEU A O   1 
ATOM   881  C CB  . LEU A 1 134 ? -19.047 -4.885  -31.513 1.00 33.43  ? 310  LEU A CB  1 
ATOM   882  C CG  . LEU A 1 134 ? -19.092 -3.444  -30.985 1.00 34.54  ? 310  LEU A CG  1 
ATOM   883  C CD1 . LEU A 1 134 ? -17.738 -2.947  -30.507 1.00 35.38  ? 310  LEU A CD1 1 
ATOM   884  C CD2 . LEU A 1 134 ? -19.621 -2.524  -32.056 1.00 36.12  ? 310  LEU A CD2 1 
ATOM   885  N N   . SER A 1 135 ? -20.367 -6.522  -29.193 1.00 32.61  ? 311  SER A N   1 
ATOM   886  C CA  . SER A 1 135 ? -21.188 -6.441  -27.982 1.00 31.27  ? 311  SER A CA  1 
ATOM   887  C C   . SER A 1 135 ? -20.532 -7.180  -26.803 1.00 30.71  ? 311  SER A C   1 
ATOM   888  O O   . SER A 1 135 ? -20.586 -6.711  -25.681 1.00 31.23  ? 311  SER A O   1 
ATOM   889  C CB  . SER A 1 135 ? -22.583 -7.005  -28.262 1.00 30.27  ? 311  SER A CB  1 
ATOM   890  O OG  . SER A 1 135 ? -22.549 -8.397  -28.561 1.00 28.60  ? 311  SER A OG  1 
ATOM   891  N N   . ILE A 1 136 ? -19.928 -8.327  -27.098 1.00 29.17  ? 312  ILE A N   1 
ATOM   892  C CA  . ILE A 1 136 ? -19.150 -9.090  -26.155 1.00 28.64  ? 312  ILE A CA  1 
ATOM   893  C C   . ILE A 1 136 ? -17.938 -8.306  -25.694 1.00 29.47  ? 312  ILE A C   1 
ATOM   894  O O   . ILE A 1 136 ? -17.604 -8.327  -24.516 1.00 29.85  ? 312  ILE A O   1 
ATOM   895  C CB  . ILE A 1 136 ? -18.667 -10.411 -26.743 1.00 27.79  ? 312  ILE A CB  1 
ATOM   896  C CG1 . ILE A 1 136 ? -19.838 -11.302 -27.123 1.00 28.12  ? 312  ILE A CG1 1 
ATOM   897  C CG2 . ILE A 1 136 ? -17.801 -11.150 -25.741 1.00 28.04  ? 312  ILE A CG2 1 
ATOM   898  C CD1 . ILE A 1 136 ? -19.527 -12.367 -28.157 1.00 28.22  ? 312  ILE A CD1 1 
ATOM   899  N N   . ALA A 1 137 ? -17.275 -7.648  -26.631 1.00 32.14  ? 313  ALA A N   1 
ATOM   900  C CA  . ALA A 1 137 ? -16.152 -6.744  -26.339 1.00 33.63  ? 313  ALA A CA  1 
ATOM   901  C C   . ALA A 1 137 ? -16.540 -5.670  -25.372 1.00 36.83  ? 313  ALA A C   1 
ATOM   902  O O   . ALA A 1 137 ? -15.765 -5.333  -24.464 1.00 35.37  ? 313  ALA A O   1 
ATOM   903  C CB  . ALA A 1 137 ? -15.651 -6.087  -27.606 1.00 34.31  ? 313  ALA A CB  1 
ATOM   904  N N   . SER A 1 138 ? -17.733 -5.117  -25.588 1.00 37.63  ? 314  SER A N   1 
ATOM   905  C CA  A SER A 1 138 ? -18.215 -4.035  -24.750 0.70 40.05  ? 314  SER A CA  1 
ATOM   906  C CA  B SER A 1 138 ? -18.250 -4.038  -24.753 0.30 39.35  ? 314  SER A CA  1 
ATOM   907  C C   . SER A 1 138 ? -18.544 -4.586  -23.359 1.00 40.18  ? 314  SER A C   1 
ATOM   908  O O   . SER A 1 138 ? -18.199 -3.963  -22.344 1.00 41.29  ? 314  SER A O   1 
ATOM   909  C CB  A SER A 1 138 ? -19.405 -3.332  -25.396 0.70 42.16  ? 314  SER A CB  1 
ATOM   910  C CB  B SER A 1 138 ? -19.507 -3.428  -25.380 0.30 40.25  ? 314  SER A CB  1 
ATOM   911  O OG  A SER A 1 138 ? -19.532 -2.022  -24.883 0.70 44.32  ? 314  SER A OG  1 
ATOM   912  O OG  B SER A 1 138 ? -19.303 -3.132  -26.753 0.30 40.11  ? 314  SER A OG  1 
ATOM   913  N N   . GLY A 1 139 ? -19.157 -5.773  -23.326 1.00 38.14  ? 315  GLY A N   1 
ATOM   914  C CA  . GLY A 1 139 ? -19.411 -6.510  -22.094 1.00 35.73  ? 315  GLY A CA  1 
ATOM   915  C C   . GLY A 1 139 ? -18.152 -6.785  -21.297 1.00 36.04  ? 315  GLY A C   1 
ATOM   916  O O   . GLY A 1 139 ? -18.108 -6.518  -20.085 1.00 33.14  ? 315  GLY A O   1 
ATOM   917  N N   . LEU A 1 140 ? -17.114 -7.289  -21.980 1.00 34.95  ? 316  LEU A N   1 
ATOM   918  C CA  . LEU A 1 140 ? -15.814 -7.550  -21.319 1.00 33.27  ? 316  LEU A CA  1 
ATOM   919  C C   . LEU A 1 140 ? -15.180 -6.272  -20.834 1.00 31.00  ? 316  LEU A C   1 
ATOM   920  O O   . LEU A 1 140 ? -14.724 -6.189  -19.700 1.00 32.44  ? 316  LEU A O   1 
ATOM   921  C CB  . LEU A 1 140 ? -14.849 -8.312  -22.230 1.00 33.94  ? 316  LEU A CB  1 
ATOM   922  C CG  . LEU A 1 140 ? -13.789 -9.131  -21.487 1.00 34.31  ? 316  LEU A CG  1 
ATOM   923  C CD1 . LEU A 1 140 ? -14.427 -10.141 -20.546 1.00 33.43  ? 316  LEU A CD1 1 
ATOM   924  C CD2 . LEU A 1 140 ? -12.871 -9.832  -22.486 1.00 34.05  ? 316  LEU A CD2 1 
ATOM   925  N N   . ALA A 1 141 ? -15.192 -5.257  -21.679 1.00 29.79  ? 317  ALA A N   1 
ATOM   926  C CA  . ALA A 1 141 ? -14.588 -3.987  -21.338 1.00 30.00  ? 317  ALA A CA  1 
ATOM   927  C C   . ALA A 1 141 ? -15.221 -3.373  -20.108 1.00 29.93  ? 317  ALA A C   1 
ATOM   928  O O   . ALA A 1 141 ? -14.519 -2.940  -19.221 1.00 30.25  ? 317  ALA A O   1 
ATOM   929  C CB  . ALA A 1 141 ? -14.639 -3.020  -22.510 1.00 30.37  ? 317  ALA A CB  1 
ATOM   930  N N   . HIS A 1 142 ? -16.537 -3.334  -20.055 1.00 30.00  ? 318  HIS A N   1 
ATOM   931  C CA  . HIS A 1 142 ? -17.232 -2.846  -18.871 1.00 31.65  ? 318  HIS A CA  1 
ATOM   932  C C   . HIS A 1 142 ? -16.838 -3.559  -17.551 1.00 31.64  ? 318  HIS A C   1 
ATOM   933  O O   . HIS A 1 142 ? -16.525 -2.872  -16.567 1.00 33.43  ? 318  HIS A O   1 
ATOM   934  C CB  . HIS A 1 142 ? -18.742 -2.885  -19.106 1.00 32.53  ? 318  HIS A CB  1 
ATOM   935  C CG  . HIS A 1 142 ? -19.555 -2.396  -17.948 1.00 34.41  ? 318  HIS A CG  1 
ATOM   936  N ND1 . HIS A 1 142 ? -19.686 -1.056  -17.637 1.00 36.87  ? 318  HIS A ND1 1 
ATOM   937  C CD2 . HIS A 1 142 ? -20.311 -3.070  -17.046 1.00 34.86  ? 318  HIS A CD2 1 
ATOM   938  C CE1 . HIS A 1 142 ? -20.483 -0.926  -16.588 1.00 36.56  ? 318  HIS A CE1 1 
ATOM   939  N NE2 . HIS A 1 142 ? -20.872 -2.132  -16.208 1.00 36.37  ? 318  HIS A NE2 1 
ATOM   940  N N   . LEU A 1 143 ? -16.859 -4.904  -17.537 1.00 30.33  ? 319  LEU A N   1 
ATOM   941  C CA  . LEU A 1 143 ? -16.338 -5.697  -16.424 1.00 30.70  ? 319  LEU A CA  1 
ATOM   942  C C   . LEU A 1 143 ? -14.916 -5.327  -16.013 1.00 32.31  ? 319  LEU A C   1 
ATOM   943  O O   . LEU A 1 143 ? -14.597 -5.236  -14.813 1.00 32.69  ? 319  LEU A O   1 
ATOM   944  C CB  . LEU A 1 143 ? -16.329 -7.199  -16.753 1.00 29.78  ? 319  LEU A CB  1 
ATOM   945  C CG  . LEU A 1 143 ? -17.649 -7.953  -16.803 1.00 30.74  ? 319  LEU A CG  1 
ATOM   946  C CD1 . LEU A 1 143 ? -17.438 -9.348  -17.358 1.00 30.89  ? 319  LEU A CD1 1 
ATOM   947  C CD2 . LEU A 1 143 ? -18.289 -8.055  -15.438 1.00 32.05  ? 319  LEU A CD2 1 
ATOM   948  N N   . HIS A 1 144 ? -14.040 -5.186  -17.007 1.00 33.32  ? 320  HIS A N   1 
ATOM   949  C CA  . HIS A 1 144 ? -12.585 -5.019  -16.762 1.00 33.70  ? 320  HIS A CA  1 
ATOM   950  C C   . HIS A 1 144 ? -12.263 -3.653  -16.192 1.00 35.53  ? 320  HIS A C   1 
ATOM   951  O O   . HIS A 1 144 ? -11.303 -3.525  -15.435 1.00 36.46  ? 320  HIS A O   1 
ATOM   952  C CB  . HIS A 1 144 ? -11.777 -5.247  -18.061 1.00 33.51  ? 320  HIS A CB  1 
ATOM   953  C CG  . HIS A 1 144 ? -11.565 -6.693  -18.392 1.00 33.31  ? 320  HIS A CG  1 
ATOM   954  N ND1 . HIS A 1 144 ? -10.618 -7.125  -19.301 1.00 33.26  ? 320  HIS A ND1 1 
ATOM   955  C CD2 . HIS A 1 144 ? -12.155 -7.809  -17.903 1.00 32.74  ? 320  HIS A CD2 1 
ATOM   956  C CE1 . HIS A 1 144 ? -10.646 -8.446  -19.366 1.00 32.36  ? 320  HIS A CE1 1 
ATOM   957  N NE2 . HIS A 1 144 ? -11.565 -8.885  -18.518 1.00 31.90  ? 320  HIS A NE2 1 
ATOM   958  N N   . ILE A 1 145 ? -13.045 -2.641  -16.577 1.00 36.81  ? 321  ILE A N   1 
ATOM   959  C CA  . ILE A 1 145 ? -12.804 -1.263  -16.121 1.00 40.07  ? 321  ILE A CA  1 
ATOM   960  C C   . ILE A 1 145 ? -13.338 -1.070  -14.723 1.00 41.26  ? 321  ILE A C   1 
ATOM   961  O O   . ILE A 1 145 ? -14.289 -1.742  -14.308 1.00 43.46  ? 321  ILE A O   1 
ATOM   962  C CB  . ILE A 1 145 ? -13.327 -0.121  -17.065 1.00 41.79  ? 321  ILE A CB  1 
ATOM   963  C CG1 . ILE A 1 145 ? -14.774 -0.329  -17.578 1.00 42.88  ? 321  ILE A CG1 1 
ATOM   964  C CG2 . ILE A 1 145 ? -12.387 0.020   -18.266 1.00 41.67  ? 321  ILE A CG2 1 
ATOM   965  C CD1 . ILE A 1 145 ? -15.910 0.046   -16.658 1.00 44.36  ? 321  ILE A CD1 1 
ATOM   966  N N   . GLU A 1 146 ? -12.674 -0.182  -13.995 1.00 41.26  ? 322  GLU A N   1 
ATOM   967  C CA  . GLU A 1 146 ? -13.132 0.275   -12.718 1.00 41.55  ? 322  GLU A CA  1 
ATOM   968  C C   . GLU A 1 146 ? -13.746 1.634   -12.979 1.00 42.84  ? 322  GLU A C   1 
ATOM   969  O O   . GLU A 1 146 ? -13.135 2.487   -13.611 1.00 44.15  ? 322  GLU A O   1 
ATOM   970  C CB  . GLU A 1 146 ? -11.961 0.403   -11.742 1.00 42.29  ? 322  GLU A CB  1 
ATOM   971  C CG  . GLU A 1 146 ? -12.378 0.899   -10.383 1.00 43.17  ? 322  GLU A CG  1 
ATOM   972  C CD  . GLU A 1 146 ? -11.258 1.006   -9.376  1.00 44.33  ? 322  GLU A CD  1 
ATOM   973  O OE1 . GLU A 1 146 ? -10.100 0.676   -9.692  1.00 44.10  ? 322  GLU A OE1 1 
ATOM   974  O OE2 . GLU A 1 146 ? -11.566 1.415   -8.239  1.00 44.63  ? 322  GLU A OE2 1 
ATOM   975  N N   . ILE A 1 147 ? -14.964 1.828   -12.488 1.00 43.23  ? 323  ILE A N   1 
ATOM   976  C CA  . ILE A 1 147 ? -15.622 3.131   -12.501 1.00 44.39  ? 323  ILE A CA  1 
ATOM   977  C C   . ILE A 1 147 ? -15.588 3.645   -11.061 1.00 45.84  ? 323  ILE A C   1 
ATOM   978  O O   . ILE A 1 147 ? -15.880 2.913   -10.109 1.00 45.46  ? 323  ILE A O   1 
ATOM   979  C CB  . ILE A 1 147 ? -17.062 3.028   -13.060 1.00 43.65  ? 323  ILE A CB  1 
ATOM   980  C CG1 . ILE A 1 147 ? -17.013 2.408   -14.450 1.00 42.94  ? 323  ILE A CG1 1 
ATOM   981  C CG2 . ILE A 1 147 ? -17.753 4.400   -13.086 1.00 44.59  ? 323  ILE A CG2 1 
ATOM   982  C CD1 . ILE A 1 147 ? -18.349 1.982   -15.026 1.00 42.88  ? 323  ILE A CD1 1 
ATOM   983  N N   . PHE A 1 148 ? -15.220 4.906   -10.919 1.00 47.94  ? 324  PHE A N   1 
ATOM   984  C CA  . PHE A 1 148 ? -15.026 5.494   -9.635  1.00 50.78  ? 324  PHE A CA  1 
ATOM   985  C C   . PHE A 1 148 ? -16.375 6.059   -9.202  1.00 51.25  ? 324  PHE A C   1 
ATOM   986  O O   . PHE A 1 148 ? -17.239 6.328   -10.036 1.00 48.95  ? 324  PHE A O   1 
ATOM   987  C CB  . PHE A 1 148 ? -13.965 6.581   -9.728  1.00 55.04  ? 324  PHE A CB  1 
ATOM   988  C CG  . PHE A 1 148 ? -12.609 6.086   -10.233 1.00 58.10  ? 324  PHE A CG  1 
ATOM   989  C CD1 . PHE A 1 148 ? -12.336 5.978   -11.607 1.00 59.29  ? 324  PHE A CD1 1 
ATOM   990  C CD2 . PHE A 1 148 ? -11.592 5.750   -9.332  1.00 60.64  ? 324  PHE A CD2 1 
ATOM   991  C CE1 . PHE A 1 148 ? -11.096 5.536   -12.055 1.00 58.91  ? 324  PHE A CE1 1 
ATOM   992  C CE2 . PHE A 1 148 ? -10.346 5.315   -9.781  1.00 60.30  ? 324  PHE A CE2 1 
ATOM   993  C CZ  . PHE A 1 148 ? -10.100 5.204   -11.142 1.00 60.26  ? 324  PHE A CZ  1 
ATOM   994  N N   . GLY A 1 149 ? -16.563 6.208   -7.897  1.00 51.78  ? 325  GLY A N   1 
ATOM   995  C CA  . GLY A 1 149 ? -17.743 6.867   -7.367  1.00 53.16  ? 325  GLY A CA  1 
ATOM   996  C C   . GLY A 1 149 ? -18.956 5.972   -7.239  1.00 51.23  ? 325  GLY A C   1 
ATOM   997  O O   . GLY A 1 149 ? -18.965 4.815   -7.674  1.00 47.24  ? 325  GLY A O   1 
ATOM   998  N N   . THR A 1 150 ? -19.998 6.536   -6.645  1.00 53.29  ? 326  THR A N   1 
ATOM   999  C CA  . THR A 1 150 ? -21.141 5.749   -6.193  1.00 53.41  ? 326  THR A CA  1 
ATOM   1000 C C   . THR A 1 150 ? -21.948 5.120   -7.340  1.00 53.21  ? 326  THR A C   1 
ATOM   1001 O O   . THR A 1 150 ? -22.522 4.051   -7.148  1.00 54.52  ? 326  THR A O   1 
ATOM   1002 C CB  . THR A 1 150 ? -21.993 6.553   -5.179  1.00 56.47  ? 326  THR A CB  1 
ATOM   1003 O OG1 . THR A 1 150 ? -22.370 7.823   -5.728  1.00 58.64  ? 326  THR A OG1 1 
ATOM   1004 C CG2 . THR A 1 150 ? -21.160 6.818   -3.908  1.00 57.43  ? 326  THR A CG2 1 
ATOM   1005 N N   . GLN A 1 151 ? -21.904 5.708   -8.546  1.00 53.90  ? 327  GLN A N   1 
ATOM   1006 C CA  . GLN A 1 151 ? -22.405 5.035   -9.774  1.00 50.95  ? 327  GLN A CA  1 
ATOM   1007 C C   . GLN A 1 151 ? -21.345 4.144   -10.455 1.00 50.65  ? 327  GLN A C   1 
ATOM   1008 O O   . GLN A 1 151 ? -21.474 3.790   -11.643 1.00 49.68  ? 327  GLN A O   1 
ATOM   1009 C CB  . GLN A 1 151 ? -22.960 6.070   -10.770 1.00 50.53  ? 327  GLN A CB  1 
ATOM   1010 C CG  . GLN A 1 151 ? -24.184 6.829   -10.267 1.00 50.67  ? 327  GLN A CG  1 
ATOM   1011 C CD  . GLN A 1 151 ? -25.389 5.931   -10.018 1.00 47.85  ? 327  GLN A CD  1 
ATOM   1012 O OE1 . GLN A 1 151 ? -25.800 5.174   -10.885 1.00 45.37  ? 327  GLN A OE1 1 
ATOM   1013 N NE2 . GLN A 1 151 ? -25.956 6.016   -8.830  1.00 48.55  ? 327  GLN A NE2 1 
ATOM   1014 N N   . GLY A 1 152 ? -20.309 3.775   -9.694  1.00 50.31  ? 328  GLY A N   1 
ATOM   1015 C CA  . GLY A 1 152 ? -19.151 3.094   -10.228 1.00 47.77  ? 328  GLY A CA  1 
ATOM   1016 C C   . GLY A 1 152 ? -19.124 1.612   -9.903  1.00 45.30  ? 328  GLY A C   1 
ATOM   1017 O O   . GLY A 1 152 ? -20.156 0.996   -9.612  1.00 43.25  ? 328  GLY A O   1 
ATOM   1018 N N   . LYS A 1 153 ? -17.926 1.045   -9.985  1.00 42.48  ? 329  LYS A N   1 
ATOM   1019 C CA  . LYS A 1 153 ? -17.713 -0.371  -9.754  1.00 40.02  ? 329  LYS A CA  1 
ATOM   1020 C C   . LYS A 1 153 ? -16.202 -0.653  -9.646  1.00 40.00  ? 329  LYS A C   1 
ATOM   1021 O O   . LYS A 1 153 ? -15.380 0.180   -10.067 1.00 38.28  ? 329  LYS A O   1 
ATOM   1022 C CB  . LYS A 1 153 ? -18.319 -1.196  -10.902 1.00 38.90  ? 329  LYS A CB  1 
ATOM   1023 C CG  . LYS A 1 153 ? -17.966 -0.693  -12.303 1.00 39.34  ? 329  LYS A CG  1 
ATOM   1024 C CD  . LYS A 1 153 ? -18.483 -1.592  -13.425 1.00 37.82  ? 329  LYS A CD  1 
ATOM   1025 C CE  . LYS A 1 153 ? -17.799 -2.950  -13.507 1.00 36.11  ? 329  LYS A CE  1 
ATOM   1026 N NZ  . LYS A 1 153 ? -16.360 -2.834  -13.862 1.00 36.76  ? 329  LYS A NZ  1 
ATOM   1027 N N   . PRO A 1 154 ? -15.843 -1.811  -9.052  1.00 39.00  ? 330  PRO A N   1 
ATOM   1028 C CA  . PRO A 1 154 ? -14.486 -2.299  -9.146  1.00 38.19  ? 330  PRO A CA  1 
ATOM   1029 C C   . PRO A 1 154 ? -14.253 -2.933  -10.521 1.00 36.36  ? 330  PRO A C   1 
ATOM   1030 O O   . PRO A 1 154 ? -15.225 -3.292  -11.235 1.00 34.71  ? 330  PRO A O   1 
ATOM   1031 C CB  . PRO A 1 154 ? -14.408 -3.347  -8.019  1.00 38.23  ? 330  PRO A CB  1 
ATOM   1032 C CG  . PRO A 1 154 ? -15.797 -3.858  -7.865  1.00 37.56  ? 330  PRO A CG  1 
ATOM   1033 C CD  . PRO A 1 154 ? -16.718 -2.756  -8.326  1.00 38.14  ? 330  PRO A CD  1 
ATOM   1034 N N   . ALA A 1 155 ? -12.979 -3.035  -10.896 1.00 34.55  ? 331  ALA A N   1 
ATOM   1035 C CA  . ALA A 1 155 ? -12.582 -3.832  -12.020 1.00 33.19  ? 331  ALA A CA  1 
ATOM   1036 C C   . ALA A 1 155 ? -12.911 -5.301  -11.738 1.00 31.54  ? 331  ALA A C   1 
ATOM   1037 O O   . ALA A 1 155 ? -12.784 -5.776  -10.620 1.00 30.42  ? 331  ALA A O   1 
ATOM   1038 C CB  . ALA A 1 155 ? -11.098 -3.637  -12.316 1.00 34.39  ? 331  ALA A CB  1 
ATOM   1039 N N   . ILE A 1 156 ? -13.387 -6.001  -12.757 1.00 30.43  ? 332  ILE A N   1 
ATOM   1040 C CA  . ILE A 1 156 ? -13.751 -7.401  -12.625 1.00 29.67  ? 332  ILE A CA  1 
ATOM   1041 C C   . ILE A 1 156 ? -13.198 -8.237  -13.757 1.00 27.86  ? 332  ILE A C   1 
ATOM   1042 O O   . ILE A 1 156 ? -13.336 -7.868  -14.927 1.00 27.69  ? 332  ILE A O   1 
ATOM   1043 C CB  . ILE A 1 156 ? -15.287 -7.600  -12.619 1.00 29.61  ? 332  ILE A CB  1 
ATOM   1044 C CG1 . ILE A 1 156 ? -15.934 -6.827  -11.455 1.00 32.06  ? 332  ILE A CG1 1 
ATOM   1045 C CG2 . ILE A 1 156 ? -15.624 -9.088  -12.498 1.00 28.35  ? 332  ILE A CG2 1 
ATOM   1046 C CD1 . ILE A 1 156 ? -17.380 -6.432  -11.713 1.00 32.75  ? 332  ILE A CD1 1 
ATOM   1047 N N   . ALA A 1 157 ? -12.648 -9.399  -13.412 1.00 26.19  ? 333  ALA A N   1 
ATOM   1048 C CA  . ALA A 1 157 ? -12.197 -10.359 -14.400 1.00 25.36  ? 333  ALA A CA  1 
ATOM   1049 C C   . ALA A 1 157 ? -13.036 -11.579 -14.286 1.00 24.32  ? 333  ALA A C   1 
ATOM   1050 O O   . ALA A 1 157 ? -13.294 -12.040 -13.196 1.00 24.40  ? 333  ALA A O   1 
ATOM   1051 C CB  . ALA A 1 157 ? -10.705 -10.724 -14.209 1.00 25.77  ? 333  ALA A CB  1 
ATOM   1052 N N   . HIS A 1 158 ? -13.417 -12.145 -15.432 1.00 23.81  ? 334  HIS A N   1 
ATOM   1053 C CA  . HIS A 1 158 ? -14.446 -13.185 -15.475 1.00 23.67  ? 334  HIS A CA  1 
ATOM   1054 C C   . HIS A 1 158 ? -13.854 -14.526 -15.095 1.00 23.77  ? 334  HIS A C   1 
ATOM   1055 O O   . HIS A 1 158 ? -14.414 -15.267 -14.260 1.00 22.53  ? 334  HIS A O   1 
ATOM   1056 C CB  . HIS A 1 158 ? -15.072 -13.208 -16.892 1.00 22.58  ? 334  HIS A CB  1 
ATOM   1057 C CG  . HIS A 1 158 ? -16.254 -14.118 -17.035 1.00 21.63  ? 334  HIS A CG  1 
ATOM   1058 N ND1 . HIS A 1 158 ? -16.162 -15.491 -16.957 1.00 21.77  ? 334  HIS A ND1 1 
ATOM   1059 C CD2 . HIS A 1 158 ? -17.563 -13.850 -17.239 1.00 20.78  ? 334  HIS A CD2 1 
ATOM   1060 C CE1 . HIS A 1 158 ? -17.356 -16.031 -17.130 1.00 20.23  ? 334  HIS A CE1 1 
ATOM   1061 N NE2 . HIS A 1 158 ? -18.216 -15.058 -17.311 1.00 19.80  ? 334  HIS A NE2 1 
ATOM   1062 N N   . ARG A 1 159 ? -12.743 -14.833 -15.767 1.00 25.61  ? 335  ARG A N   1 
ATOM   1063 C CA  . ARG A 1 159 ? -11.913 -16.019 -15.552 1.00 27.72  ? 335  ARG A CA  1 
ATOM   1064 C C   . ARG A 1 159 ? -12.459 -17.329 -16.084 1.00 27.55  ? 335  ARG A C   1 
ATOM   1065 O O   . ARG A 1 159 ? -11.931 -18.393 -15.817 1.00 29.84  ? 335  ARG A O   1 
ATOM   1066 C CB  . ARG A 1 159 ? -11.544 -16.166 -14.075 1.00 30.96  ? 335  ARG A CB  1 
ATOM   1067 C CG  . ARG A 1 159 ? -10.857 -14.943 -13.513 1.00 35.00  ? 335  ARG A CG  1 
ATOM   1068 C CD  . ARG A 1 159 ? -10.430 -15.176 -12.076 1.00 39.54  ? 335  ARG A CD  1 
ATOM   1069 N NE  . ARG A 1 159 ? -9.875  -16.511 -11.855 1.00 43.51  ? 335  ARG A NE  1 
ATOM   1070 C CZ  . ARG A 1 159 ? -10.017 -17.249 -10.752 1.00 48.57  ? 335  ARG A CZ  1 
ATOM   1071 N NH1 . ARG A 1 159 ? -10.736 -16.836 -9.699  1.00 47.81  ? 335  ARG A NH1 1 
ATOM   1072 N NH2 . ARG A 1 159 ? -9.415  -18.439 -10.717 1.00 51.20  ? 335  ARG A NH2 1 
ATOM   1073 N N   . ASP A 1 160 ? -13.487 -17.255 -16.896 1.00 28.34  ? 336  ASP A N   1 
ATOM   1074 C CA  . ASP A 1 160 ? -14.089 -18.455 -17.483 1.00 28.31  ? 336  ASP A CA  1 
ATOM   1075 C C   . ASP A 1 160 ? -15.028 -18.073 -18.601 1.00 28.29  ? 336  ASP A C   1 
ATOM   1076 O O   . ASP A 1 160 ? -16.113 -18.633 -18.712 1.00 28.89  ? 336  ASP A O   1 
ATOM   1077 C CB  . ASP A 1 160 ? -14.851 -19.243 -16.434 1.00 29.92  ? 336  ASP A CB  1 
ATOM   1078 C CG  . ASP A 1 160 ? -15.246 -20.609 -16.910 1.00 30.91  ? 336  ASP A CG  1 
ATOM   1079 O OD1 . ASP A 1 160 ? -14.611 -21.168 -17.806 1.00 29.81  ? 336  ASP A OD1 1 
ATOM   1080 O OD2 . ASP A 1 160 ? -16.240 -21.120 -16.394 1.00 37.36  ? 336  ASP A OD2 1 
ATOM   1081 N N   . LEU A 1 161 ? -14.618 -17.099 -19.406 1.00 26.51  ? 337  LEU A N   1 
ATOM   1082 C CA  . LEU A 1 161 ? -15.376 -16.711 -20.574 1.00 26.83  ? 337  LEU A CA  1 
ATOM   1083 C C   . LEU A 1 161 ? -15.374 -17.805 -21.612 1.00 25.90  ? 337  LEU A C   1 
ATOM   1084 O O   . LEU A 1 161 ? -14.343 -18.394 -21.863 1.00 25.25  ? 337  LEU A O   1 
ATOM   1085 C CB  . LEU A 1 161 ? -14.783 -15.454 -21.164 1.00 27.32  ? 337  LEU A CB  1 
ATOM   1086 C CG  . LEU A 1 161 ? -15.646 -14.749 -22.169 1.00 29.15  ? 337  LEU A CG  1 
ATOM   1087 C CD1 . LEU A 1 161 ? -16.967 -14.298 -21.550 1.00 29.13  ? 337  LEU A CD1 1 
ATOM   1088 C CD2 . LEU A 1 161 ? -14.890 -13.554 -22.726 1.00 30.05  ? 337  LEU A CD2 1 
ATOM   1089 N N   . LYS A 1 162 ? -16.539 -18.091 -22.212 1.00 25.39  ? 338  LYS A N   1 
ATOM   1090 C CA  . LYS A 1 162 ? -16.669 -19.103 -23.262 1.00 24.37  ? 338  LYS A CA  1 
ATOM   1091 C C   . LYS A 1 162 ? -18.024 -19.016 -23.967 1.00 26.13  ? 338  LYS A C   1 
ATOM   1092 O O   . LYS A 1 162 ? -18.954 -18.347 -23.469 1.00 24.05  ? 338  LYS A O   1 
ATOM   1093 C CB  . LYS A 1 162 ? -16.530 -20.506 -22.682 1.00 24.65  ? 338  LYS A CB  1 
ATOM   1094 C CG  . LYS A 1 162 ? -17.229 -20.742 -21.365 1.00 24.88  ? 338  LYS A CG  1 
ATOM   1095 C CD  . LYS A 1 162 ? -17.397 -22.240 -21.143 1.00 25.68  ? 338  LYS A CD  1 
ATOM   1096 C CE  . LYS A 1 162 ? -17.956 -22.547 -19.784 1.00 26.20  ? 338  LYS A CE  1 
ATOM   1097 N NZ  . LYS A 1 162 ? -17.867 -24.020 -19.578 1.00 28.01  ? 338  LYS A NZ  1 
ATOM   1098 N N   . SER A 1 163 ? -18.141 -19.729 -25.097 1.00 27.10  ? 339  SER A N   1 
ATOM   1099 C CA  . SER A 1 163 ? -19.313 -19.606 -25.968 1.00 26.84  ? 339  SER A CA  1 
ATOM   1100 C C   . SER A 1 163 ? -20.632 -20.048 -25.285 1.00 28.59  ? 339  SER A C   1 
ATOM   1101 O O   . SER A 1 163 ? -21.699 -19.435 -25.508 1.00 28.59  ? 339  SER A O   1 
ATOM   1102 C CB  . SER A 1 163 ? -19.071 -20.311 -27.296 1.00 26.91  ? 339  SER A CB  1 
ATOM   1103 O OG  . SER A 1 163 ? -18.689 -21.672 -27.137 1.00 27.16  ? 339  SER A OG  1 
ATOM   1104 N N   . LYS A 1 164 ? -20.529 -21.064 -24.412 1.00 29.93  ? 340  LYS A N   1 
ATOM   1105 C CA  . LYS A 1 164 ? -21.628 -21.551 -23.598 1.00 28.01  ? 340  LYS A CA  1 
ATOM   1106 C C   . LYS A 1 164 ? -22.162 -20.596 -22.506 1.00 27.19  ? 340  LYS A C   1 
ATOM   1107 O O   . LYS A 1 164 ? -23.335 -20.736 -22.087 1.00 26.78  ? 340  LYS A O   1 
ATOM   1108 C CB  . LYS A 1 164 ? -21.267 -22.901 -22.990 1.00 28.14  ? 340  LYS A CB  1 
ATOM   1109 C CG  . LYS A 1 164 ? -21.247 -24.022 -23.978 1.00 29.91  ? 340  LYS A CG  1 
ATOM   1110 C CD  . LYS A 1 164 ? -20.887 -25.341 -23.343 1.00 32.14  ? 340  LYS A CD  1 
ATOM   1111 C CE  . LYS A 1 164 ? -20.987 -26.486 -24.339 1.00 35.20  ? 340  LYS A CE  1 
ATOM   1112 N NZ  . LYS A 1 164 ? -21.006 -27.835 -23.673 1.00 37.13  ? 340  LYS A NZ  1 
ATOM   1113 N N   . ASN A 1 165 ? -21.383 -19.604 -22.083 1.00 25.40  ? 341  ASN A N   1 
ATOM   1114 C CA  . ASN A 1 165 ? -21.877 -18.671 -21.040 1.00 24.41  ? 341  ASN A CA  1 
ATOM   1115 C C   . ASN A 1 165 ? -22.007 -17.250 -21.509 1.00 23.86  ? 341  ASN A C   1 
ATOM   1116 O O   . ASN A 1 165 ? -22.082 -16.326 -20.709 1.00 26.31  ? 341  ASN A O   1 
ATOM   1117 C CB  . ASN A 1 165 ? -21.136 -18.820 -19.687 1.00 24.83  ? 341  ASN A CB  1 
ATOM   1118 C CG  . ASN A 1 165 ? -19.649 -18.449 -19.753 1.00 25.08  ? 341  ASN A CG  1 
ATOM   1119 O OD1 . ASN A 1 165 ? -19.208 -17.679 -20.599 1.00 26.43  ? 341  ASN A OD1 1 
ATOM   1120 N ND2 . ASN A 1 165 ? -18.879 -18.997 -18.829 1.00 23.95  ? 341  ASN A ND2 1 
ATOM   1121 N N   . ILE A 1 166 ? -22.124 -17.083 -22.822 1.00 23.61  ? 342  ILE A N   1 
ATOM   1122 C CA  . ILE A 1 166 ? -22.467 -15.809 -23.438 1.00 24.04  ? 342  ILE A CA  1 
ATOM   1123 C C   . ILE A 1 166 ? -23.811 -16.084 -24.132 1.00 24.89  ? 342  ILE A C   1 
ATOM   1124 O O   . ILE A 1 166 ? -23.939 -17.070 -24.873 1.00 26.22  ? 342  ILE A O   1 
ATOM   1125 C CB  . ILE A 1 166 ? -21.470 -15.381 -24.499 1.00 24.72  ? 342  ILE A CB  1 
ATOM   1126 C CG1 . ILE A 1 166 ? -20.083 -15.126 -23.889 1.00 24.53  ? 342  ILE A CG1 1 
ATOM   1127 C CG2 . ILE A 1 166 ? -21.967 -14.126 -25.217 1.00 26.41  ? 342  ILE A CG2 1 
ATOM   1128 C CD1 . ILE A 1 166 ? -19.013 -14.924 -24.937 1.00 24.87  ? 342  ILE A CD1 1 
ATOM   1129 N N   . LEU A 1 167 ? -24.793 -15.252 -23.853 1.00 24.04  ? 343  LEU A N   1 
ATOM   1130 C CA  . LEU A 1 167 ? -26.117 -15.430 -24.441 1.00 26.03  ? 343  LEU A CA  1 
ATOM   1131 C C   . LEU A 1 167 ? -26.294 -14.495 -25.625 1.00 27.51  ? 343  LEU A C   1 
ATOM   1132 O O   . LEU A 1 167 ? -25.715 -13.415 -25.665 1.00 29.81  ? 343  LEU A O   1 
ATOM   1133 C CB  . LEU A 1 167 ? -27.250 -15.227 -23.414 1.00 24.31  ? 343  LEU A CB  1 
ATOM   1134 C CG  . LEU A 1 167 ? -27.489 -16.247 -22.291 1.00 24.04  ? 343  LEU A CG  1 
ATOM   1135 C CD1 . LEU A 1 167 ? -27.448 -17.697 -22.732 1.00 23.82  ? 343  LEU A CD1 1 
ATOM   1136 C CD2 . LEU A 1 167 ? -26.565 -16.048 -21.105 1.00 23.54  ? 343  LEU A CD2 1 
ATOM   1137 N N   . VAL A 1 168 ? -27.143 -14.928 -26.555 1.00 28.53  ? 344  VAL A N   1 
ATOM   1138 C CA  . VAL A 1 168 ? -27.490 -14.176 -27.737 1.00 29.05  ? 344  VAL A CA  1 
ATOM   1139 C C   . VAL A 1 168 ? -28.912 -13.669 -27.557 1.00 28.73  ? 344  VAL A C   1 
ATOM   1140 O O   . VAL A 1 168 ? -29.813 -14.465 -27.289 1.00 27.34  ? 344  VAL A O   1 
ATOM   1141 C CB  . VAL A 1 168 ? -27.380 -15.073 -29.008 1.00 30.73  ? 344  VAL A CB  1 
ATOM   1142 C CG1 . VAL A 1 168 ? -27.805 -14.306 -30.262 1.00 32.08  ? 344  VAL A CG1 1 
ATOM   1143 C CG2 . VAL A 1 168 ? -25.957 -15.614 -29.176 1.00 29.65  ? 344  VAL A CG2 1 
ATOM   1144 N N   . LYS A 1 169 ? -29.068 -12.346 -27.660 1.00 28.44  ? 345  LYS A N   1 
ATOM   1145 C CA  . LYS A 1 169 ? -30.356 -11.670 -27.674 1.00 30.45  ? 345  LYS A CA  1 
ATOM   1146 C C   . LYS A 1 169 ? -30.939 -11.608 -29.078 1.00 31.52  ? 345  LYS A C   1 
ATOM   1147 O O   . LYS A 1 169 ? -30.188 -11.634 -30.086 1.00 31.93  ? 345  LYS A O   1 
ATOM   1148 C CB  . LYS A 1 169 ? -30.205 -10.248 -27.124 1.00 30.93  ? 345  LYS A CB  1 
ATOM   1149 C CG  . LYS A 1 169 ? -29.885 -10.278 -25.655 1.00 30.71  ? 345  LYS A CG  1 
ATOM   1150 C CD  . LYS A 1 169 ? -28.891 -9.222  -25.187 1.00 31.81  ? 345  LYS A CD  1 
ATOM   1151 C CE  . LYS A 1 169 ? -29.479 -7.835  -25.021 1.00 32.39  ? 345  LYS A CE  1 
ATOM   1152 N NZ  . LYS A 1 169 ? -29.139 -7.196  -23.719 1.00 31.36  ? 345  LYS A NZ  1 
ATOM   1153 N N   . LYS A 1 170 ? -32.260 -11.486 -29.163 1.00 32.05  ? 346  LYS A N   1 
ATOM   1154 C CA  . LYS A 1 170 ? -32.921 -11.423 -30.473 1.00 34.52  ? 346  LYS A CA  1 
ATOM   1155 C C   . LYS A 1 170 ? -32.530 -10.202 -31.319 1.00 34.70  ? 346  LYS A C   1 
ATOM   1156 O O   . LYS A 1 170 ? -32.543 -10.288 -32.537 1.00 37.43  ? 346  LYS A O   1 
ATOM   1157 C CB  . LYS A 1 170 ? -34.456 -11.432 -30.336 1.00 36.02  ? 346  LYS A CB  1 
ATOM   1158 C CG  . LYS A 1 170 ? -35.043 -12.670 -29.673 1.00 37.78  ? 346  LYS A CG  1 
ATOM   1159 C CD  . LYS A 1 170 ? -36.595 -12.699 -29.730 1.00 38.98  ? 346  LYS A CD  1 
ATOM   1160 C CE  . LYS A 1 170 ? -37.241 -11.738 -28.751 1.00 39.41  ? 346  LYS A CE  1 
ATOM   1161 N NZ  . LYS A 1 170 ? -38.651 -11.508 -29.196 1.00 42.94  ? 346  LYS A NZ  1 
ATOM   1162 N N   . ASN A 1 171 ? -32.273 -9.055  -30.690 1.00 34.65  ? 347  ASN A N   1 
ATOM   1163 C CA  . ASN A 1 171 ? -31.729 -7.890  -31.406 1.00 35.54  ? 347  ASN A CA  1 
ATOM   1164 C C   . ASN A 1 171 ? -30.270 -8.095  -31.912 1.00 34.96  ? 347  ASN A C   1 
ATOM   1165 O O   . ASN A 1 171 ? -29.698 -7.184  -32.504 1.00 35.65  ? 347  ASN A O   1 
ATOM   1166 C CB  . ASN A 1 171 ? -31.802 -6.613  -30.552 1.00 35.95  ? 347  ASN A CB  1 
ATOM   1167 C CG  . ASN A 1 171 ? -30.805 -6.594  -29.390 1.00 35.18  ? 347  ASN A CG  1 
ATOM   1168 O OD1 . ASN A 1 171 ? -30.049 -7.549  -29.151 1.00 33.39  ? 347  ASN A OD1 1 
ATOM   1169 N ND2 . ASN A 1 171 ? -30.795 -5.483  -28.670 1.00 35.54  ? 347  ASN A ND2 1 
ATOM   1170 N N   . GLY A 1 172 ? -29.686 -9.267  -31.659 1.00 33.85  ? 348  GLY A N   1 
ATOM   1171 C CA  . GLY A 1 172 ? -28.418 -9.645  -32.250 1.00 34.88  ? 348  GLY A CA  1 
ATOM   1172 C C   . GLY A 1 172 ? -27.244 -9.355  -31.345 1.00 35.17  ? 348  GLY A C   1 
ATOM   1173 O O   . GLY A 1 172 ? -26.156 -9.872  -31.590 1.00 38.63  ? 348  GLY A O   1 
ATOM   1174 N N   . GLN A 1 173 ? -27.435 -8.542  -30.300 1.00 37.04  ? 349  GLN A N   1 
ATOM   1175 C CA  . GLN A 1 173 ? -26.402 -8.369  -29.268 1.00 36.73  ? 349  GLN A CA  1 
ATOM   1176 C C   . GLN A 1 173 ? -26.302 -9.569  -28.346 1.00 34.51  ? 349  GLN A C   1 
ATOM   1177 O O   . GLN A 1 173 ? -27.270 -10.325 -28.197 1.00 34.20  ? 349  GLN A O   1 
ATOM   1178 C CB  . GLN A 1 173 ? -26.656 -7.115  -28.442 1.00 39.07  ? 349  GLN A CB  1 
ATOM   1179 C CG  . GLN A 1 173 ? -26.518 -5.856  -29.263 1.00 42.67  ? 349  GLN A CG  1 
ATOM   1180 C CD  . GLN A 1 173 ? -26.276 -4.621  -28.421 1.00 45.39  ? 349  GLN A CD  1 
ATOM   1181 O OE1 . GLN A 1 173 ? -25.461 -4.633  -27.502 1.00 47.31  ? 349  GLN A OE1 1 
ATOM   1182 N NE2 . GLN A 1 173 ? -26.963 -3.529  -28.756 1.00 49.19  ? 349  GLN A NE2 1 
ATOM   1183 N N   . CYS A 1 174 ? -25.124 -9.712  -27.725 1.00 32.67  ? 350  CYS A N   1 
ATOM   1184 C CA  . CYS A 1 174 ? -24.841 -10.751 -26.743 1.00 30.63  ? 350  CYS A CA  1 
ATOM   1185 C C   . CYS A 1 174 ? -24.771 -10.182 -25.322 1.00 28.95  ? 350  CYS A C   1 
ATOM   1186 O O   . CYS A 1 174 ? -24.623 -8.976  -25.137 1.00 31.07  ? 350  CYS A O   1 
ATOM   1187 C CB  . CYS A 1 174 ? -23.513 -11.433 -27.084 1.00 31.45  ? 350  CYS A CB  1 
ATOM   1188 S SG  . CYS A 1 174 ? -23.546 -12.593 -28.489 1.00 30.58  ? 350  CYS A SG  1 
ATOM   1189 N N   . CYS A 1 175 ? -24.900 -11.041 -24.325 1.00 27.12  ? 351  CYS A N   1 
ATOM   1190 C CA  . CYS A 1 175 ? -24.676 -10.650 -22.911 1.00 27.23  ? 351  CYS A CA  1 
ATOM   1191 C C   . CYS A 1 175 ? -23.935 -11.751 -22.149 1.00 27.08  ? 351  CYS A C   1 
ATOM   1192 O O   . CYS A 1 175 ? -24.253 -12.935 -22.295 1.00 26.88  ? 351  CYS A O   1 
ATOM   1193 C CB  . CYS A 1 175 ? -25.996 -10.269 -22.185 1.00 28.10  ? 351  CYS A CB  1 
ATOM   1194 S SG  . CYS A 1 175 ? -27.162 -11.617 -22.063 1.00 27.34  ? 351  CYS A SG  1 
ATOM   1195 N N   . ILE A 1 176 ? -22.907 -11.365 -21.387 1.00 26.42  ? 352  ILE A N   1 
ATOM   1196 C CA  . ILE A 1 176 ? -22.073 -12.326 -20.673 1.00 27.43  ? 352  ILE A CA  1 
ATOM   1197 C C   . ILE A 1 176 ? -22.743 -12.746 -19.332 1.00 26.04  ? 352  ILE A C   1 
ATOM   1198 O O   . ILE A 1 176 ? -23.258 -11.905 -18.625 1.00 26.50  ? 352  ILE A O   1 
ATOM   1199 C CB  . ILE A 1 176 ? -20.645 -11.747 -20.369 1.00 28.76  ? 352  ILE A CB  1 
ATOM   1200 C CG1 . ILE A 1 176 ? -19.926 -11.373 -21.670 1.00 29.07  ? 352  ILE A CG1 1 
ATOM   1201 C CG2 . ILE A 1 176 ? -19.797 -12.748 -19.568 1.00 26.88  ? 352  ILE A CG2 1 
ATOM   1202 C CD1 . ILE A 1 176 ? -18.679 -10.522 -21.476 1.00 31.32  ? 352  ILE A CD1 1 
ATOM   1203 N N   . ALA A 1 177 ? -22.725 -14.054 -19.048 1.00 24.70  ? 353  ALA A N   1 
ATOM   1204 C CA  . ALA A 1 177 ? -23.220 -14.671 -17.823 1.00 24.09  ? 353  ALA A CA  1 
ATOM   1205 C C   . ALA A 1 177 ? -22.090 -15.282 -17.013 1.00 24.20  ? 353  ALA A C   1 
ATOM   1206 O O   . ALA A 1 177 ? -20.899 -15.128 -17.360 1.00 22.43  ? 353  ALA A O   1 
ATOM   1207 C CB  . ALA A 1 177 ? -24.239 -15.759 -18.152 1.00 24.46  ? 353  ALA A CB  1 
ATOM   1208 N N   . ASP A 1 178 ? -22.485 -15.924 -15.903 1.00 24.34  ? 354  ASP A N   1 
ATOM   1209 C CA  . ASP A 1 178 ? -21.720 -16.972 -15.230 1.00 25.70  ? 354  ASP A CA  1 
ATOM   1210 C C   . ASP A 1 178 ? -20.508 -16.423 -14.531 1.00 26.27  ? 354  ASP A C   1 
ATOM   1211 O O   . ASP A 1 178 ? -19.394 -16.758 -14.844 1.00 26.44  ? 354  ASP A O   1 
ATOM   1212 C CB  . ASP A 1 178 ? -21.380 -18.080 -16.231 1.00 27.10  ? 354  ASP A CB  1 
ATOM   1213 C CG  . ASP A 1 178 ? -20.818 -19.344 -15.586 1.00 28.55  ? 354  ASP A CG  1 
ATOM   1214 O OD1 . ASP A 1 178 ? -20.966 -19.557 -14.385 1.00 27.12  ? 354  ASP A OD1 1 
ATOM   1215 O OD2 . ASP A 1 178 ? -20.223 -20.158 -16.327 1.00 28.99  ? 354  ASP A OD2 1 
ATOM   1216 N N   . LEU A 1 179 ? -20.745 -15.574 -13.548 1.00 27.74  ? 355  LEU A N   1 
ATOM   1217 C CA  . LEU A 1 179 ? -19.661 -14.909 -12.864 1.00 29.21  ? 355  LEU A CA  1 
ATOM   1218 C C   . LEU A 1 179 ? -19.166 -15.614 -11.621 1.00 28.21  ? 355  LEU A C   1 
ATOM   1219 O O   . LEU A 1 179 ? -18.501 -14.991 -10.810 1.00 26.63  ? 355  LEU A O   1 
ATOM   1220 C CB  . LEU A 1 179 ? -20.037 -13.462 -12.555 1.00 31.99  ? 355  LEU A CB  1 
ATOM   1221 C CG  . LEU A 1 179 ? -20.717 -12.683 -13.673 1.00 36.08  ? 355  LEU A CG  1 
ATOM   1222 C CD1 . LEU A 1 179 ? -20.933 -11.254 -13.188 1.00 40.17  ? 355  LEU A CD1 1 
ATOM   1223 C CD2 . LEU A 1 179 ? -19.914 -12.727 -14.955 1.00 36.29  ? 355  LEU A CD2 1 
ATOM   1224 N N   . GLY A 1 180 ? -19.404 -16.921 -11.499 1.00 27.84  ? 356  GLY A N   1 
ATOM   1225 C CA  . GLY A 1 180 ? -19.048 -17.647 -10.283 1.00 27.95  ? 356  GLY A CA  1 
ATOM   1226 C C   . GLY A 1 180 ? -17.567 -17.665 -9.948  1.00 28.65  ? 356  GLY A C   1 
ATOM   1227 O O   . GLY A 1 180 ? -17.225 -17.781 -8.770  1.00 27.78  ? 356  GLY A O   1 
ATOM   1228 N N   . LEU A 1 181 ? -16.711 -17.585 -10.982 1.00 27.96  ? 357  LEU A N   1 
ATOM   1229 C CA  . LEU A 1 181 ? -15.252 -17.494 -10.807 1.00 27.90  ? 357  LEU A CA  1 
ATOM   1230 C C   . LEU A 1 181 ? -14.676 -16.095 -10.946 1.00 27.22  ? 357  LEU A C   1 
ATOM   1231 O O   . LEU A 1 181 ? -13.454 -15.963 -10.892 1.00 28.63  ? 357  LEU A O   1 
ATOM   1232 C CB  . LEU A 1 181 ? -14.521 -18.452 -11.744 1.00 28.64  ? 357  LEU A CB  1 
ATOM   1233 C CG  . LEU A 1 181 ? -15.082 -19.869 -11.889 1.00 29.66  ? 357  LEU A CG  1 
ATOM   1234 C CD1 . LEU A 1 181 ? -14.318 -20.649 -12.948 1.00 31.79  ? 357  LEU A CD1 1 
ATOM   1235 C CD2 . LEU A 1 181 ? -15.015 -20.595 -10.562 1.00 31.76  ? 357  LEU A CD2 1 
ATOM   1236 N N   . ALA A 1 182 ? -15.502 -15.054 -10.996 1.00 25.83  ? 358  ALA A N   1 
ATOM   1237 C CA  . ALA A 1 182 ? -15.011 -13.672 -11.134 1.00 27.53  ? 358  ALA A CA  1 
ATOM   1238 C C   . ALA A 1 182 ? -14.036 -13.195 -10.048 1.00 29.72  ? 358  ALA A C   1 
ATOM   1239 O O   . ALA A 1 182 ? -14.020 -13.714 -8.920  1.00 31.91  ? 358  ALA A O   1 
ATOM   1240 C CB  . ALA A 1 182 ? -16.169 -12.672 -11.278 1.00 28.31  ? 358  ALA A CB  1 
ATOM   1241 N N   . VAL A 1 183 ? -13.216 -12.210 -10.414 1.00 29.76  ? 359  VAL A N   1 
ATOM   1242 C CA  . VAL A 1 183 ? -12.228 -11.613 -9.516  1.00 31.48  ? 359  VAL A CA  1 
ATOM   1243 C C   . VAL A 1 183 ? -12.453 -10.127 -9.556  1.00 31.43  ? 359  VAL A C   1 
ATOM   1244 O O   . VAL A 1 183 ? -12.706 -9.600  -10.614 1.00 29.23  ? 359  VAL A O   1 
ATOM   1245 C CB  . VAL A 1 183 ? -10.806 -11.956 -10.010 1.00 32.95  ? 359  VAL A CB  1 
ATOM   1246 C CG1 . VAL A 1 183 ? -9.793  -10.896 -9.616  1.00 35.41  ? 359  VAL A CG1 1 
ATOM   1247 C CG2 . VAL A 1 183 ? -10.391 -13.299 -9.452  1.00 33.80  ? 359  VAL A CG2 1 
ATOM   1248 N N   . MET A 1 184 ? -12.361 -9.458  -8.412  1.00 34.56  ? 360  MET A N   1 
ATOM   1249 C CA  . MET A 1 184 ? -12.548 -8.012  -8.333  1.00 37.64  ? 360  MET A CA  1 
ATOM   1250 C C   . MET A 1 184 ? -11.294 -7.358  -7.805  1.00 39.64  ? 360  MET A C   1 
ATOM   1251 O O   . MET A 1 184 ? -10.515 -7.974  -7.087  1.00 39.89  ? 360  MET A O   1 
ATOM   1252 C CB  . MET A 1 184 ? -13.714 -7.650  -7.427  1.00 41.00  ? 360  MET A CB  1 
ATOM   1253 C CG  . MET A 1 184 ? -14.987 -8.455  -7.682  1.00 43.61  ? 360  MET A CG  1 
ATOM   1254 S SD  . MET A 1 184 ? -16.343 -7.984  -6.574  1.00 51.42  ? 360  MET A SD  1 
ATOM   1255 C CE  . MET A 1 184 ? -15.691 -8.240  -4.928  1.00 51.59  ? 360  MET A CE  1 
ATOM   1256 N N   . HIS A 1 185 ? -11.125 -6.095  -8.165  1.00 41.93  ? 361  HIS A N   1 
ATOM   1257 C CA  . HIS A 1 185 ? -9.990  -5.311  -7.746  1.00 45.97  ? 361  HIS A CA  1 
ATOM   1258 C C   . HIS A 1 185 ? -10.345 -3.838  -7.815  1.00 47.94  ? 361  HIS A C   1 
ATOM   1259 O O   . HIS A 1 185 ? -11.062 -3.404  -8.709  1.00 47.76  ? 361  HIS A O   1 
ATOM   1260 C CB  . HIS A 1 185 ? -8.793  -5.628  -8.655  1.00 47.94  ? 361  HIS A CB  1 
ATOM   1261 C CG  . HIS A 1 185 ? -7.604  -4.745  -8.444  1.00 48.83  ? 361  HIS A CG  1 
ATOM   1262 N ND1 . HIS A 1 185 ? -7.305  -3.689  -9.281  1.00 49.89  ? 361  HIS A ND1 1 
ATOM   1263 C CD2 . HIS A 1 185 ? -6.626  -4.773  -7.512  1.00 51.11  ? 361  HIS A CD2 1 
ATOM   1264 C CE1 . HIS A 1 185 ? -6.205  -3.094  -8.864  1.00 51.07  ? 361  HIS A CE1 1 
ATOM   1265 N NE2 . HIS A 1 185 ? -5.774  -3.732  -7.790  1.00 53.01  ? 361  HIS A NE2 1 
ATOM   1266 N N   . SER A 1 186 ? -9.838  -3.082  -6.858  1.00 52.54  ? 362  SER A N   1 
ATOM   1267 C CA  . SER A 1 186 ? -10.001 -1.637  -6.819  1.00 59.25  ? 362  SER A CA  1 
ATOM   1268 C C   . SER A 1 186 ? -8.634  -1.037  -6.586  1.00 65.30  ? 362  SER A C   1 
ATOM   1269 O O   . SER A 1 186 ? -7.810  -1.607  -5.886  1.00 64.62  ? 362  SER A O   1 
ATOM   1270 C CB  . SER A 1 186 ? -10.980 -1.218  -5.720  1.00 60.75  ? 362  SER A CB  1 
ATOM   1271 O OG  . SER A 1 186 ? -12.315 -1.293  -6.197  1.00 60.11  ? 362  SER A OG  1 
ATOM   1272 N N   . GLN A 1 187 ? -8.418  0.124   -7.186  1.00 74.09  ? 363  GLN A N   1 
ATOM   1273 C CA  . GLN A 1 187 ? -7.094  0.702   -7.325  1.00 84.91  ? 363  GLN A CA  1 
ATOM   1274 C C   . GLN A 1 187 ? -6.742  1.577   -6.110  1.00 90.78  ? 363  GLN A C   1 
ATOM   1275 O O   . GLN A 1 187 ? -5.558  1.746   -5.799  1.00 96.09  ? 363  GLN A O   1 
ATOM   1276 C CB  . GLN A 1 187 ? -7.023  1.490   -8.643  1.00 89.68  ? 363  GLN A CB  1 
ATOM   1277 C CG  . GLN A 1 187 ? -5.652  1.553   -9.297  1.00 95.56  ? 363  GLN A CG  1 
ATOM   1278 C CD  . GLN A 1 187 ? -5.678  2.326   -10.612 1.00 100.61 ? 363  GLN A CD  1 
ATOM   1279 O OE1 . GLN A 1 187 ? -6.397  3.321   -10.743 1.00 108.17 ? 363  GLN A OE1 1 
ATOM   1280 N NE2 . GLN A 1 187 ? -4.893  1.877   -11.591 1.00 98.40  ? 363  GLN A NE2 1 
ATOM   1281 N N   . SER A 1 188 ? -7.758  2.120   -5.424  1.00 93.10  ? 364  SER A N   1 
ATOM   1282 C CA  . SER A 1 188 ? -7.553  2.861   -4.160  1.00 95.68  ? 364  SER A CA  1 
ATOM   1283 C C   . SER A 1 188 ? -7.067  1.935   -3.037  1.00 97.09  ? 364  SER A C   1 
ATOM   1284 O O   . SER A 1 188 ? -6.096  2.246   -2.328  1.00 100.49 ? 364  SER A O   1 
ATOM   1285 C CB  . SER A 1 188 ? -8.842  3.577   -3.712  1.00 95.12  ? 364  SER A CB  1 
ATOM   1286 O OG  . SER A 1 188 ? -9.765  2.688   -3.096  1.00 90.62  ? 364  SER A OG  1 
ATOM   1287 N N   . THR A 1 189 ? -7.752  0.798   -2.902  1.00 91.14  ? 365  THR A N   1 
ATOM   1288 C CA  . THR A 1 189 ? -7.425  -0.211  -1.881  1.00 86.19  ? 365  THR A CA  1 
ATOM   1289 C C   . THR A 1 189 ? -6.269  -1.103  -2.334  1.00 85.24  ? 365  THR A C   1 
ATOM   1290 O O   . THR A 1 189 ? -5.497  -1.581  -1.500  1.00 85.34  ? 365  THR A O   1 
ATOM   1291 C CB  . THR A 1 189 ? -8.631  -1.103  -1.426  1.00 82.95  ? 365  THR A CB  1 
ATOM   1292 O OG1 . THR A 1 189 ? -8.317  -2.484  -1.626  1.00 76.34  ? 365  THR A OG1 1 
ATOM   1293 C CG2 . THR A 1 189 ? -9.965  -0.797  -2.147  1.00 81.66  ? 365  THR A CG2 1 
ATOM   1294 N N   . ASN A 1 190 ? -6.157  -1.324  -3.646  1.00 85.36  ? 366  ASN A N   1 
ATOM   1295 C CA  . ASN A 1 190 ? -5.229  -2.306  -4.213  1.00 84.54  ? 366  ASN A CA  1 
ATOM   1296 C C   . ASN A 1 190 ? -5.261  -3.641  -3.446  1.00 86.79  ? 366  ASN A C   1 
ATOM   1297 O O   . ASN A 1 190 ? -4.227  -4.161  -3.002  1.00 90.46  ? 366  ASN A O   1 
ATOM   1298 C CB  . ASN A 1 190 ? -3.810  -1.730  -4.308  1.00 84.09  ? 366  ASN A CB  1 
ATOM   1299 C CG  . ASN A 1 190 ? -2.926  -2.508  -5.278  1.00 80.88  ? 366  ASN A CG  1 
ATOM   1300 O OD1 . ASN A 1 190 ? -3.360  -2.884  -6.373  1.00 73.52  ? 366  ASN A OD1 1 
ATOM   1301 N ND2 . ASN A 1 190 ? -1.678  -2.753  -4.880  1.00 80.87  ? 366  ASN A ND2 1 
ATOM   1302 N N   . GLN A 1 191 ? -6.483  -4.150  -3.262  1.00 88.84  ? 367  GLN A N   1 
ATOM   1303 C CA  . GLN A 1 191 ? -6.725  -5.494  -2.739  1.00 85.20  ? 367  GLN A CA  1 
ATOM   1304 C C   . GLN A 1 191 ? -7.362  -6.330  -3.842  1.00 78.51  ? 367  GLN A C   1 
ATOM   1305 O O   . GLN A 1 191 ? -8.063  -5.813  -4.724  1.00 65.38  ? 367  GLN A O   1 
ATOM   1306 C CB  . GLN A 1 191 ? -7.621  -5.475  -1.489  1.00 87.17  ? 367  GLN A CB  1 
ATOM   1307 C CG  . GLN A 1 191 ? -9.123  -5.447  -1.759  1.00 86.24  ? 367  GLN A CG  1 
ATOM   1308 C CD  . GLN A 1 191 ? -9.948  -5.008  -0.569  1.00 88.71  ? 367  GLN A CD  1 
ATOM   1309 O OE1 . GLN A 1 191 ? -9.524  -5.116  0.587   1.00 88.32  ? 367  GLN A OE1 1 
ATOM   1310 N NE2 . GLN A 1 191 ? -11.149 -4.510  -0.849  1.00 90.21  ? 367  GLN A NE2 1 
ATOM   1311 N N   . LEU A 1 192 ? -7.130  -7.632  -3.752  1.00 75.49  ? 368  LEU A N   1 
ATOM   1312 C CA  . LEU A 1 192 ? -7.490  -8.557  -4.802  1.00 72.05  ? 368  LEU A CA  1 
ATOM   1313 C C   . LEU A 1 192 ? -8.306  -9.660  -4.178  1.00 68.47  ? 368  LEU A C   1 
ATOM   1314 O O   . LEU A 1 192 ? -7.789  -10.421 -3.357  1.00 68.10  ? 368  LEU A O   1 
ATOM   1315 C CB  . LEU A 1 192 ? -6.218  -9.114  -5.454  1.00 72.15  ? 368  LEU A CB  1 
ATOM   1316 C CG  . LEU A 1 192 ? -6.342  -9.781  -6.817  1.00 68.66  ? 368  LEU A CG  1 
ATOM   1317 C CD1 . LEU A 1 192 ? -6.788  -8.770  -7.860  1.00 67.81  ? 368  LEU A CD1 1 
ATOM   1318 C CD2 . LEU A 1 192 ? -5.013  -10.410 -7.208  1.00 68.47  ? 368  LEU A CD2 1 
ATOM   1319 N N   . ASP A 1 193 ? -9.583  -9.714  -4.551  1.00 63.91  ? 369  ASP A N   1 
ATOM   1320 C CA  . ASP A 1 193 ? -10.472 -10.750 -4.094  1.00 62.45  ? 369  ASP A CA  1 
ATOM   1321 C C   . ASP A 1 193 ? -10.543 -11.843 -5.167  1.00 60.45  ? 369  ASP A C   1 
ATOM   1322 O O   . ASP A 1 193 ? -11.053 -11.608 -6.267  1.00 55.80  ? 369  ASP A O   1 
ATOM   1323 C CB  . ASP A 1 193 ? -11.849 -10.145 -3.792  1.00 63.54  ? 369  ASP A CB  1 
ATOM   1324 C CG  . ASP A 1 193 ? -12.818 -11.139 -3.165  1.00 64.65  ? 369  ASP A CG  1 
ATOM   1325 O OD1 . ASP A 1 193 ? -12.395 -12.058 -2.432  1.00 67.29  ? 369  ASP A OD1 1 
ATOM   1326 O OD2 . ASP A 1 193 ? -14.029 -10.981 -3.396  1.00 67.54  ? 369  ASP A OD2 1 
ATOM   1327 N N   . VAL A 1 194 ? -10.007 -13.021 -4.826  1.00 60.44  ? 370  VAL A N   1 
ATOM   1328 C CA  . VAL A 1 194 ? -10.095 -14.256 -5.647  1.00 60.49  ? 370  VAL A CA  1 
ATOM   1329 C C   . VAL A 1 194 ? -11.023 -15.352 -5.067  1.00 65.39  ? 370  VAL A C   1 
ATOM   1330 O O   . VAL A 1 194 ? -11.149 -16.431 -5.662  1.00 63.76  ? 370  VAL A O   1 
ATOM   1331 C CB  . VAL A 1 194 ? -8.691  -14.893 -5.897  1.00 56.04  ? 370  VAL A CB  1 
ATOM   1332 C CG1 . VAL A 1 194 ? -7.724  -13.869 -6.488  1.00 51.77  ? 370  VAL A CG1 1 
ATOM   1333 C CG2 . VAL A 1 194 ? -8.144  -15.555 -4.632  1.00 57.07  ? 370  VAL A CG2 1 
ATOM   1334 N N   . GLY A 1 195 ? -11.644 -15.097 -3.909  1.00 72.70  ? 371  GLY A N   1 
ATOM   1335 C CA  . GLY A 1 195 ? -12.559 -16.061 -3.277  1.00 74.59  ? 371  GLY A CA  1 
ATOM   1336 C C   . GLY A 1 195 ? -11.858 -17.281 -2.690  1.00 78.32  ? 371  GLY A C   1 
ATOM   1337 O O   . GLY A 1 195 ? -10.738 -17.173 -2.170  1.00 83.28  ? 371  GLY A O   1 
ATOM   1338 N N   . ASN A 1 196 ? -12.528 -18.434 -2.760  1.00 75.52  ? 372  ASN A N   1 
ATOM   1339 C CA  . ASN A 1 196 ? -12.006 -19.706 -2.228  1.00 81.03  ? 372  ASN A CA  1 
ATOM   1340 C C   . ASN A 1 196 ? -12.558 -20.888 -3.056  1.00 77.98  ? 372  ASN A C   1 
ATOM   1341 O O   . ASN A 1 196 ? -13.051 -21.890 -2.516  1.00 72.54  ? 372  ASN A O   1 
ATOM   1342 C CB  . ASN A 1 196 ? -12.367 -19.821 -0.726  1.00 84.87  ? 372  ASN A CB  1 
ATOM   1343 C CG  . ASN A 1 196 ? -11.671 -20.984 -0.015  1.00 87.75  ? 372  ASN A CG  1 
ATOM   1344 O OD1 . ASN A 1 196 ? -10.611 -21.438 -0.437  1.00 88.32  ? 372  ASN A OD1 1 
ATOM   1345 N ND2 . ASN A 1 196 ? -12.266 -21.458 1.085   1.00 89.98  ? 372  ASN A ND2 1 
ATOM   1346 N N   . ASN A 1 197 ? -12.447 -20.762 -4.378  1.00 73.37  ? 373  ASN A N   1 
ATOM   1347 C CA  . ASN A 1 197 ? -13.199 -21.606 -5.307  1.00 69.95  ? 373  ASN A CA  1 
ATOM   1348 C C   . ASN A 1 197 ? -12.356 -22.785 -5.800  1.00 73.10  ? 373  ASN A C   1 
ATOM   1349 O O   . ASN A 1 197 ? -11.306 -22.554 -6.401  1.00 76.92  ? 373  ASN A O   1 
ATOM   1350 C CB  . ASN A 1 197 ? -13.694 -20.756 -6.496  1.00 64.24  ? 373  ASN A CB  1 
ATOM   1351 C CG  . ASN A 1 197 ? -15.071 -21.181 -7.002  1.00 56.34  ? 373  ASN A CG  1 
ATOM   1352 O OD1 . ASN A 1 197 ? -15.405 -22.373 -7.046  1.00 49.94  ? 373  ASN A OD1 1 
ATOM   1353 N ND2 . ASN A 1 197 ? -15.876 -20.200 -7.394  1.00 53.89  ? 373  ASN A ND2 1 
ATOM   1354 N N   . PRO A 1 198 ? -12.805 -24.049 -5.551  1.00 77.48  ? 374  PRO A N   1 
ATOM   1355 C CA  . PRO A 1 198 ? -12.085 -25.218 -6.096  1.00 78.08  ? 374  PRO A CA  1 
ATOM   1356 C C   . PRO A 1 198 ? -12.151 -25.321 -7.629  1.00 79.18  ? 374  PRO A C   1 
ATOM   1357 O O   . PRO A 1 198 ? -11.246 -25.890 -8.257  1.00 82.43  ? 374  PRO A O   1 
ATOM   1358 C CB  . PRO A 1 198 ? -12.798 -26.412 -5.441  1.00 78.79  ? 374  PRO A CB  1 
ATOM   1359 C CG  . PRO A 1 198 ? -14.163 -25.926 -5.152  1.00 76.86  ? 374  PRO A CG  1 
ATOM   1360 C CD  . PRO A 1 198 ? -14.001 -24.474 -4.789  1.00 78.81  ? 374  PRO A CD  1 
ATOM   1361 N N   . ARG A 1 199 ? -13.217 -24.780 -8.217  1.00 75.74  ? 375  ARG A N   1 
ATOM   1362 C CA  . ARG A 1 199 ? -13.325 -24.645 -9.665  1.00 71.22  ? 375  ARG A CA  1 
ATOM   1363 C C   . ARG A 1 199 ? -12.286 -23.647 -10.206 1.00 63.31  ? 375  ARG A C   1 
ATOM   1364 O O   . ARG A 1 199 ? -12.106 -22.559 -9.652  1.00 61.34  ? 375  ARG A O   1 
ATOM   1365 C CB  . ARG A 1 199 ? -14.752 -24.205 -10.043 1.00 71.58  ? 375  ARG A CB  1 
ATOM   1366 C CG  . ARG A 1 199 ? -15.024 -24.035 -11.538 1.00 71.63  ? 375  ARG A CG  1 
ATOM   1367 C CD  . ARG A 1 199 ? -16.502 -23.753 -11.770 1.00 72.20  ? 375  ARG A CD  1 
ATOM   1368 N NE  . ARG A 1 199 ? -16.803 -23.125 -13.063 1.00 74.62  ? 375  ARG A NE  1 
ATOM   1369 C CZ  . ARG A 1 199 ? -17.826 -22.288 -13.317 1.00 74.26  ? 375  ARG A CZ  1 
ATOM   1370 N NH1 . ARG A 1 199 ? -18.695 -21.908 -12.366 1.00 65.40  ? 375  ARG A NH1 1 
ATOM   1371 N NH2 . ARG A 1 199 ? -17.975 -21.801 -14.551 1.00 69.69  ? 375  ARG A NH2 1 
ATOM   1372 N N   . VAL A 1 200 ? -11.594 -24.055 -11.270 1.00 58.66  ? 376  VAL A N   1 
ATOM   1373 C CA  . VAL A 1 200 ? -10.730 -23.176 -12.069 1.00 52.49  ? 376  VAL A CA  1 
ATOM   1374 C C   . VAL A 1 200 ? -11.442 -23.162 -13.431 1.00 50.24  ? 376  VAL A C   1 
ATOM   1375 O O   . VAL A 1 200 ? -12.417 -23.890 -13.601 1.00 51.37  ? 376  VAL A O   1 
ATOM   1376 C CB  . VAL A 1 200 ? -9.233  -23.663 -12.054 1.00 50.74  ? 376  VAL A CB  1 
ATOM   1377 C CG1 . VAL A 1 200 ? -9.021  -24.944 -12.845 1.00 48.83  ? 376  VAL A CG1 1 
ATOM   1378 C CG2 . VAL A 1 200 ? -8.283  -22.575 -12.525 1.00 51.01  ? 376  VAL A CG2 1 
ATOM   1379 N N   . GLY A 1 201 ? -11.015 -22.330 -14.379 1.00 46.27  ? 377  GLY A N   1 
ATOM   1380 C CA  . GLY A 1 201 ? -11.724 -22.203 -15.669 1.00 42.15  ? 377  GLY A CA  1 
ATOM   1381 C C   . GLY A 1 201 ? -12.048 -23.475 -16.453 1.00 39.75  ? 377  GLY A C   1 
ATOM   1382 O O   . GLY A 1 201 ? -11.728 -24.602 -16.059 1.00 41.53  ? 377  GLY A O   1 
ATOM   1383 N N   . THR A 1 202 ? -12.709 -23.283 -17.584 1.00 35.04  ? 378  THR A N   1 
ATOM   1384 C CA  . THR A 1 202 ? -12.940 -24.355 -18.535 1.00 31.58  ? 378  THR A CA  1 
ATOM   1385 C C   . THR A 1 202 ? -11.592 -24.447 -19.242 1.00 30.83  ? 378  THR A C   1 
ATOM   1386 O O   . THR A 1 202 ? -11.005 -23.415 -19.583 1.00 28.30  ? 378  THR A O   1 
ATOM   1387 C CB  . THR A 1 202 ? -14.128 -24.030 -19.465 1.00 29.68  ? 378  THR A CB  1 
ATOM   1388 O OG1 . THR A 1 202 ? -15.310 -23.896 -18.655 1.00 26.21  ? 378  THR A OG1 1 
ATOM   1389 C CG2 . THR A 1 202 ? -14.337 -25.107 -20.535 1.00 28.31  ? 378  THR A CG2 1 
ATOM   1390 N N   . LYS A 1 203 ? -11.117 -25.686 -19.384 1.00 31.14  ? 379  LYS A N   1 
ATOM   1391 C CA  . LYS A 1 203 ? -9.747  -26.006 -19.754 1.00 32.66  ? 379  LYS A CA  1 
ATOM   1392 C C   . LYS A 1 203 ? -9.488  -25.703 -21.207 1.00 32.06  ? 379  LYS A C   1 
ATOM   1393 O O   . LYS A 1 203 ? -8.469  -25.107 -21.520 1.00 30.53  ? 379  LYS A O   1 
ATOM   1394 C CB  . LYS A 1 203 ? -9.423  -27.478 -19.470 1.00 35.04  ? 379  LYS A CB  1 
ATOM   1395 C CG  . LYS A 1 203 ? -9.238  -27.767 -17.989 1.00 37.88  ? 379  LYS A CG  1 
ATOM   1396 C CD  . LYS A 1 203 ? -9.201  -29.262 -17.727 1.00 41.09  ? 379  LYS A CD  1 
ATOM   1397 C CE  . LYS A 1 203 ? -8.929  -29.592 -16.262 1.00 43.90  ? 379  LYS A CE  1 
ATOM   1398 N NZ  . LYS A 1 203 ? -10.126 -30.096 -15.539 1.00 45.36  ? 379  LYS A NZ  1 
ATOM   1399 N N   . ARG A 1 204 ? -10.422 -26.100 -22.086 1.00 30.92  ? 380  ARG A N   1 
ATOM   1400 C CA  . ARG A 1 204 ? -10.332 -25.783 -23.523 1.00 29.11  ? 380  ARG A CA  1 
ATOM   1401 C C   . ARG A 1 204 ? -10.043 -24.284 -23.745 1.00 28.79  ? 380  ARG A C   1 
ATOM   1402 O O   . ARG A 1 204 ? -9.244  -23.951 -24.648 1.00 28.96  ? 380  ARG A O   1 
ATOM   1403 C CB  . ARG A 1 204 ? -11.595 -26.210 -24.274 1.00 28.09  ? 380  ARG A CB  1 
ATOM   1404 C CG  . ARG A 1 204 ? -11.599 -25.957 -25.790 1.00 27.41  ? 380  ARG A CG  1 
ATOM   1405 C CD  . ARG A 1 204 ? -12.908 -26.381 -26.444 1.00 26.28  ? 380  ARG A CD  1 
ATOM   1406 N NE  . ARG A 1 204 ? -13.160 -27.816 -26.256 1.00 26.75  ? 380  ARG A NE  1 
ATOM   1407 C CZ  . ARG A 1 204 ? -12.645 -28.824 -26.957 1.00 27.52  ? 380  ARG A CZ  1 
ATOM   1408 N NH1 . ARG A 1 204 ? -11.798 -28.624 -27.975 1.00 29.98  ? 380  ARG A NH1 1 
ATOM   1409 N NH2 . ARG A 1 204 ? -12.958 -30.075 -26.623 1.00 27.88  ? 380  ARG A NH2 1 
ATOM   1410 N N   . TYR A 1 205 ? -10.584 -23.411 -22.879 1.00 25.79  ? 381  TYR A N   1 
ATOM   1411 C CA  . TYR A 1 205 ? -10.357 -21.977 -22.996 1.00 25.77  ? 381  TYR A CA  1 
ATOM   1412 C C   . TYR A 1 205 ? -9.221  -21.398 -22.135 1.00 27.04  ? 381  TYR A C   1 
ATOM   1413 O O   . TYR A 1 205 ? -9.076  -20.184 -22.056 1.00 27.39  ? 381  TYR A O   1 
ATOM   1414 C CB  . TYR A 1 205 ? -11.652 -21.222 -22.747 1.00 26.15  ? 381  TYR A CB  1 
ATOM   1415 C CG  . TYR A 1 205 ? -12.731 -21.476 -23.807 1.00 26.16  ? 381  TYR A CG  1 
ATOM   1416 C CD1 . TYR A 1 205 ? -13.413 -22.698 -23.867 1.00 25.83  ? 381  TYR A CD1 1 
ATOM   1417 C CD2 . TYR A 1 205 ? -13.054 -20.498 -24.737 1.00 25.62  ? 381  TYR A CD2 1 
ATOM   1418 C CE1 . TYR A 1 205 ? -14.389 -22.925 -24.844 1.00 26.91  ? 381  TYR A CE1 1 
ATOM   1419 C CE2 . TYR A 1 205 ? -14.035 -20.712 -25.700 1.00 26.52  ? 381  TYR A CE2 1 
ATOM   1420 C CZ  . TYR A 1 205 ? -14.701 -21.928 -25.747 1.00 26.14  ? 381  TYR A CZ  1 
ATOM   1421 O OH  . TYR A 1 205 ? -15.679 -22.149 -26.689 1.00 25.96  ? 381  TYR A OH  1 
ATOM   1422 N N   . MET A 1 206 ? -8.360  -22.241 -21.566 1.00 28.74  ? 382  MET A N   1 
ATOM   1423 C CA  . MET A 1 206 ? -7.460  -21.796 -20.477 1.00 30.43  ? 382  MET A CA  1 
ATOM   1424 C C   . MET A 1 206 ? -6.193  -21.160 -21.093 1.00 29.51  ? 382  MET A C   1 
ATOM   1425 O O   . MET A 1 206 ? -5.591  -21.750 -21.980 1.00 28.18  ? 382  MET A O   1 
ATOM   1426 C CB  . MET A 1 206 ? -7.077  -22.986 -19.601 1.00 33.02  ? 382  MET A CB  1 
ATOM   1427 C CG  . MET A 1 206 ? -7.325  -22.841 -18.104 1.00 35.44  ? 382  MET A CG  1 
ATOM   1428 S SD  . MET A 1 206 ? -6.972  -24.415 -17.289 1.00 37.54  ? 382  MET A SD  1 
ATOM   1429 C CE  . MET A 1 206 ? -8.503  -24.571 -16.356 1.00 40.42  ? 382  MET A CE  1 
ATOM   1430 N N   . ALA A 1 207 ? -5.801  -19.977 -20.626 1.00 28.04  ? 383  ALA A N   1 
ATOM   1431 C CA  . ALA A 1 207 ? -4.635  -19.291 -21.162 1.00 29.00  ? 383  ALA A CA  1 
ATOM   1432 C C   . ALA A 1 207 ? -3.312  -20.074 -20.951 1.00 27.57  ? 383  ALA A C   1 
ATOM   1433 O O   . ALA A 1 207 ? -3.229  -20.894 -20.053 1.00 26.47  ? 383  ALA A O   1 
ATOM   1434 C CB  . ALA A 1 207 ? -4.533  -17.916 -20.539 1.00 29.88  ? 383  ALA A CB  1 
ATOM   1435 N N   . PRO A 1 208 ? -2.296  -19.864 -21.825 1.00 27.46  ? 384  PRO A N   1 
ATOM   1436 C CA  . PRO A 1 208 ? -1.006  -20.528 -21.600 1.00 27.87  ? 384  PRO A CA  1 
ATOM   1437 C C   . PRO A 1 208 ? -0.480  -20.413 -20.146 1.00 27.97  ? 384  PRO A C   1 
ATOM   1438 O O   . PRO A 1 208 ? -0.091  -21.406 -19.560 1.00 27.69  ? 384  PRO A O   1 
ATOM   1439 C CB  . PRO A 1 208 ? -0.075  -19.804 -22.566 1.00 28.40  ? 384  PRO A CB  1 
ATOM   1440 C CG  . PRO A 1 208 ? -0.953  -19.297 -23.673 1.00 28.37  ? 384  PRO A CG  1 
ATOM   1441 C CD  . PRO A 1 208 ? -2.350  -19.209 -23.149 1.00 27.49  ? 384  PRO A CD  1 
ATOM   1442 N N   . GLU A 1 209 ? -0.477  -19.199 -19.608 1.00 28.14  ? 385  GLU A N   1 
ATOM   1443 C CA  . GLU A 1 209 ? 0.092   -18.914 -18.291 1.00 29.81  ? 385  GLU A CA  1 
ATOM   1444 C C   . GLU A 1 209 ? -0.638  -19.622 -17.143 1.00 30.29  ? 385  GLU A C   1 
ATOM   1445 O O   . GLU A 1 209 ? -0.009  -19.965 -16.132 1.00 31.49  ? 385  GLU A O   1 
ATOM   1446 C CB  . GLU A 1 209 ? 0.208   -17.392 -18.022 1.00 30.32  ? 385  GLU A CB  1 
ATOM   1447 C CG  . GLU A 1 209 ? -1.104  -16.623 -17.945 1.00 30.83  ? 385  GLU A CG  1 
ATOM   1448 C CD  . GLU A 1 209 ? -1.629  -16.232 -19.312 1.00 30.51  ? 385  GLU A CD  1 
ATOM   1449 O OE1 . GLU A 1 209 ? -1.163  -16.814 -20.333 1.00 28.53  ? 385  GLU A OE1 1 
ATOM   1450 O OE2 . GLU A 1 209 ? -2.471  -15.319 -19.359 1.00 30.38  ? 385  GLU A OE2 1 
ATOM   1451 N N   . VAL A 1 210 ? -1.948  -19.835 -17.310 1.00 28.90  ? 386  VAL A N   1 
ATOM   1452 C CA  . VAL A 1 210 ? -2.741  -20.632 -16.409 1.00 28.67  ? 386  VAL A CA  1 
ATOM   1453 C C   . VAL A 1 210 ? -2.281  -22.087 -16.530 1.00 29.32  ? 386  VAL A C   1 
ATOM   1454 O O   . VAL A 1 210 ? -1.947  -22.739 -15.510 1.00 30.00  ? 386  VAL A O   1 
ATOM   1455 C CB  . VAL A 1 210 ? -4.275  -20.507 -16.693 1.00 28.81  ? 386  VAL A CB  1 
ATOM   1456 C CG1 . VAL A 1 210 ? -5.033  -21.354 -15.684 1.00 28.93  ? 386  VAL A CG1 1 
ATOM   1457 C CG2 . VAL A 1 210 ? -4.756  -19.049 -16.628 1.00 27.78  ? 386  VAL A CG2 1 
ATOM   1458 N N   . LEU A 1 211 ? -2.146  -22.577 -17.760 1.00 28.00  ? 387  LEU A N   1 
ATOM   1459 C CA  . LEU A 1 211 ? -1.775  -23.990 -18.013 1.00 28.80  ? 387  LEU A CA  1 
ATOM   1460 C C   . LEU A 1 211 ? -0.359  -24.417 -17.559 1.00 30.20  ? 387  LEU A C   1 
ATOM   1461 O O   . LEU A 1 211 ? -0.164  -25.541 -17.077 1.00 30.96  ? 387  LEU A O   1 
ATOM   1462 C CB  . LEU A 1 211 ? -1.879  -24.295 -19.510 1.00 29.37  ? 387  LEU A CB  1 
ATOM   1463 C CG  . LEU A 1 211 ? -3.274  -24.201 -20.142 1.00 28.36  ? 387  LEU A CG  1 
ATOM   1464 C CD1 . LEU A 1 211 ? -3.106  -24.350 -21.622 1.00 29.36  ? 387  LEU A CD1 1 
ATOM   1465 C CD2 . LEU A 1 211 ? -4.187  -25.271 -19.585 1.00 29.45  ? 387  LEU A CD2 1 
ATOM   1466 N N   . ASP A 1 212 ? 0.629   -23.550 -17.738 1.00 30.27  ? 388  ASP A N   1 
ATOM   1467 C CA  . ASP A 1 212 ? 2.011   -23.880 -17.319 1.00 31.88  ? 388  ASP A CA  1 
ATOM   1468 C C   . ASP A 1 212 ? 2.310   -23.297 -15.926 1.00 33.58  ? 388  ASP A C   1 
ATOM   1469 O O   . ASP A 1 212 ? 3.453   -23.282 -15.508 1.00 34.64  ? 388  ASP A O   1 
ATOM   1470 C CB  . ASP A 1 212 ? 3.014   -23.372 -18.337 1.00 31.57  ? 388  ASP A CB  1 
ATOM   1471 C CG  . ASP A 1 212 ? 3.063   -21.858 -18.407 1.00 31.16  ? 388  ASP A CG  1 
ATOM   1472 O OD1 . ASP A 1 212 ? 2.459   -21.148 -17.589 1.00 29.84  ? 388  ASP A OD1 1 
ATOM   1473 O OD2 . ASP A 1 212 ? 3.731   -21.356 -19.312 1.00 32.44  ? 388  ASP A OD2 1 
ATOM   1474 N N   . GLU A 1 213 ? 1.270   -22.737 -15.298 1.00 34.01  ? 389  GLU A N   1 
ATOM   1475 C CA  . GLU A 1 213 ? 1.277   -22.216 -13.939 1.00 36.17  ? 389  GLU A CA  1 
ATOM   1476 C C   . GLU A 1 213 ? 2.264   -21.066 -13.746 1.00 36.23  ? 389  GLU A C   1 
ATOM   1477 O O   . GLU A 1 213 ? 2.845   -20.937 -12.685 1.00 35.21  ? 389  GLU A O   1 
ATOM   1478 C CB  . GLU A 1 213 ? 1.526   -23.355 -12.942 1.00 39.38  ? 389  GLU A CB  1 
ATOM   1479 C CG  . GLU A 1 213 ? 0.486   -24.470 -13.058 1.00 41.31  ? 389  GLU A CG  1 
ATOM   1480 C CD  . GLU A 1 213 ? 0.872   -25.704 -12.271 1.00 45.41  ? 389  GLU A CD  1 
ATOM   1481 O OE1 . GLU A 1 213 ? 0.679   -26.845 -12.761 1.00 47.97  ? 389  GLU A OE1 1 
ATOM   1482 O OE2 . GLU A 1 213 ? 1.389   -25.525 -11.158 1.00 47.70  ? 389  GLU A OE2 1 
ATOM   1483 N N   . THR A 1 214 ? 2.460   -20.251 -14.787 1.00 33.85  ? 390  THR A N   1 
ATOM   1484 C CA  . THR A 1 214 ? 3.311   -19.069 -14.686 1.00 33.85  ? 390  THR A CA  1 
ATOM   1485 C C   . THR A 1 214 ? 2.569   -17.785 -14.414 1.00 33.56  ? 390  THR A C   1 
ATOM   1486 O O   . THR A 1 214 ? 3.214   -16.734 -14.249 1.00 32.93  ? 390  THR A O   1 
ATOM   1487 C CB  . THR A 1 214 ? 4.133   -18.864 -15.960 1.00 33.88  ? 390  THR A CB  1 
ATOM   1488 O OG1 . THR A 1 214 ? 3.276   -18.836 -17.115 1.00 31.48  ? 390  THR A OG1 1 
ATOM   1489 C CG2 . THR A 1 214 ? 5.187   -19.979 -16.063 1.00 34.74  ? 390  THR A CG2 1 
ATOM   1490 N N   . ILE A 1 215 ? 1.224   -17.854 -14.409 1.00 32.41  ? 391  ILE A N   1 
ATOM   1491 C CA  . ILE A 1 215 ? 0.390   -16.700 -14.153 1.00 32.54  ? 391  ILE A CA  1 
ATOM   1492 C C   . ILE A 1 215 ? 0.792   -15.990 -12.830 1.00 34.92  ? 391  ILE A C   1 
ATOM   1493 O O   . ILE A 1 215 ? 1.075   -16.623 -11.781 1.00 33.90  ? 391  ILE A O   1 
ATOM   1494 C CB  . ILE A 1 215 ? -1.150  -17.060 -14.260 1.00 32.57  ? 391  ILE A CB  1 
ATOM   1495 C CG1 . ILE A 1 215 ? -2.032  -15.843 -13.971 1.00 32.52  ? 391  ILE A CG1 1 
ATOM   1496 C CG2 . ILE A 1 215 ? -1.551  -18.236 -13.367 1.00 32.28  ? 391  ILE A CG2 1 
ATOM   1497 C CD1 . ILE A 1 215 ? -3.390  -15.892 -14.620 1.00 32.16  ? 391  ILE A CD1 1 
ATOM   1498 N N   . GLN A 1 216 ? 0.860   -14.666 -12.910 1.00 37.28  ? 392  GLN A N   1 
ATOM   1499 C CA  . GLN A 1 216 ? 1.158   -13.842 -11.755 1.00 40.64  ? 392  GLN A CA  1 
ATOM   1500 C C   . GLN A 1 216 ? -0.123  -13.653 -10.995 1.00 41.26  ? 392  GLN A C   1 
ATOM   1501 O O   . GLN A 1 216 ? -0.866  -12.730 -11.301 1.00 40.67  ? 392  GLN A O   1 
ATOM   1502 C CB  . GLN A 1 216 ? 1.664   -12.468 -12.171 1.00 43.23  ? 392  GLN A CB  1 
ATOM   1503 C CG  . GLN A 1 216 ? 3.070   -12.422 -12.701 1.00 45.73  ? 392  GLN A CG  1 
ATOM   1504 C CD  . GLN A 1 216 ? 3.585   -11.000 -12.668 1.00 48.30  ? 392  GLN A CD  1 
ATOM   1505 O OE1 . GLN A 1 216 ? 3.716   -10.405 -11.587 1.00 52.46  ? 392  GLN A OE1 1 
ATOM   1506 N NE2 . GLN A 1 216 ? 3.850   -10.431 -13.838 1.00 46.47  ? 392  GLN A NE2 1 
ATOM   1507 N N   . VAL A 1 217 ? -0.352  -14.509 -9.998  1.00 42.42  ? 393  VAL A N   1 
ATOM   1508 C CA  . VAL A 1 217 ? -1.606  -14.536 -9.240  1.00 42.96  ? 393  VAL A CA  1 
ATOM   1509 C C   . VAL A 1 217 ? -1.857  -13.287 -8.394  1.00 45.33  ? 393  VAL A C   1 
ATOM   1510 O O   . VAL A 1 217 ? -2.994  -12.933 -8.133  1.00 44.75  ? 393  VAL A O   1 
ATOM   1511 C CB  . VAL A 1 217 ? -1.717  -15.778 -8.312  1.00 42.16  ? 393  VAL A CB  1 
ATOM   1512 C CG1 . VAL A 1 217 ? -1.556  -17.057 -9.116  1.00 40.96  ? 393  VAL A CG1 1 
ATOM   1513 C CG2 . VAL A 1 217 ? -0.725  -15.718 -7.147  1.00 43.47  ? 393  VAL A CG2 1 
ATOM   1514 N N   . ASP A 1 218 ? -0.782  -12.640 -7.971  1.00 49.14  ? 394  ASP A N   1 
ATOM   1515 C CA  . ASP A 1 218 ? -0.852  -11.400 -7.191  1.00 52.19  ? 394  ASP A CA  1 
ATOM   1516 C C   . ASP A 1 218 ? -1.278  -10.184 -8.017  1.00 49.34  ? 394  ASP A C   1 
ATOM   1517 O O   . ASP A 1 218 ? -1.521  -9.134  -7.430  1.00 48.82  ? 394  ASP A O   1 
ATOM   1518 C CB  . ASP A 1 218 ? 0.532   -11.031 -6.599  1.00 57.54  ? 394  ASP A CB  1 
ATOM   1519 C CG  . ASP A 1 218 ? 1.211   -12.180 -5.889  1.00 61.50  ? 394  ASP A CG  1 
ATOM   1520 O OD1 . ASP A 1 218 ? 0.526   -13.069 -5.342  1.00 66.64  ? 394  ASP A OD1 1 
ATOM   1521 O OD2 . ASP A 1 218 ? 2.454   -12.188 -5.880  1.00 72.48  ? 394  ASP A OD2 1 
ATOM   1522 N N   . CYS A 1 219 ? -1.307  -10.300 -9.357  1.00 46.41  ? 395  CYS A N   1 
ATOM   1523 C CA  A CYS A 1 219 ? -1.514  -9.148  -10.236 0.70 46.05  ? 395  CYS A CA  1 
ATOM   1524 C CA  B CYS A 1 219 ? -1.538  -9.152  -10.241 0.30 44.43  ? 395  CYS A CA  1 
ATOM   1525 C C   . CYS A 1 219 ? -2.877  -9.245  -10.960 1.00 41.66  ? 395  CYS A C   1 
ATOM   1526 O O   . CYS A 1 219 ? -3.151  -10.214 -11.673 1.00 39.79  ? 395  CYS A O   1 
ATOM   1527 C CB  A CYS A 1 219 ? -0.335  -9.048  -11.215 0.70 47.37  ? 395  CYS A CB  1 
ATOM   1528 C CB  B CYS A 1 219 ? -0.410  -9.056  -11.256 0.30 44.35  ? 395  CYS A CB  1 
ATOM   1529 S SG  A CYS A 1 219 ? -0.450  -7.693  -12.406 0.70 51.58  ? 395  CYS A SG  1 
ATOM   1530 S SG  B CYS A 1 219 ? 1.181   -8.824  -10.461 0.30 45.76  ? 395  CYS A SG  1 
ATOM   1531 N N   . PHE A 1 220 ? -3.715  -8.231  -10.783 1.00 40.70  ? 396  PHE A N   1 
ATOM   1532 C CA  . PHE A 1 220 ? -5.065  -8.253  -11.338 1.00 39.47  ? 396  PHE A CA  1 
ATOM   1533 C C   . PHE A 1 220 ? -5.039  -8.305  -12.885 1.00 40.18  ? 396  PHE A C   1 
ATOM   1534 O O   . PHE A 1 220 ? -5.778  -9.090  -13.491 1.00 40.64  ? 396  PHE A O   1 
ATOM   1535 C CB  . PHE A 1 220 ? -5.888  -7.067  -10.836 1.00 40.06  ? 396  PHE A CB  1 
ATOM   1536 C CG  . PHE A 1 220 ? -7.281  -7.022  -11.422 1.00 40.09  ? 396  PHE A CG  1 
ATOM   1537 C CD1 . PHE A 1 220 ? -8.253  -7.917  -11.022 1.00 39.10  ? 396  PHE A CD1 1 
ATOM   1538 C CD2 . PHE A 1 220 ? -7.587  -6.116  -12.438 1.00 40.89  ? 396  PHE A CD2 1 
ATOM   1539 C CE1 . PHE A 1 220 ? -9.530  -7.888  -11.595 1.00 39.67  ? 396  PHE A CE1 1 
ATOM   1540 C CE2 . PHE A 1 220 ? -8.856  -6.085  -13.004 1.00 41.79  ? 396  PHE A CE2 1 
ATOM   1541 C CZ  . PHE A 1 220 ? -9.829  -6.973  -12.585 1.00 39.49  ? 396  PHE A CZ  1 
ATOM   1542 N N   . ASP A 1 221 ? -4.147  -7.529  -13.507 1.00 40.07  ? 397  ASP A N   1 
ATOM   1543 C CA  . ASP A 1 221 ? -3.964  -7.580  -14.947 1.00 40.41  ? 397  ASP A CA  1 
ATOM   1544 C C   . ASP A 1 221 ? -3.778  -8.995  -15.480 1.00 37.60  ? 397  ASP A C   1 
ATOM   1545 O O   . ASP A 1 221 ? -4.184  -9.260  -16.606 1.00 38.79  ? 397  ASP A O   1 
ATOM   1546 C CB  . ASP A 1 221 ? -2.781  -6.733  -15.386 1.00 42.92  ? 397  ASP A CB  1 
ATOM   1547 C CG  . ASP A 1 221 ? -2.983  -5.251  -15.139 1.00 44.51  ? 397  ASP A CG  1 
ATOM   1548 O OD1 . ASP A 1 221 ? -4.083  -4.716  -15.368 1.00 44.54  ? 397  ASP A OD1 1 
ATOM   1549 O OD2 . ASP A 1 221 ? -1.997  -4.601  -14.737 1.00 47.19  ? 397  ASP A OD2 1 
ATOM   1550 N N   . SER A 1 222 ? -3.218  -9.911  -14.684 1.00 35.75  ? 398  SER A N   1 
ATOM   1551 C CA  . SER A 1 222 ? -3.128  -11.321 -15.106 1.00 34.13  ? 398  SER A CA  1 
ATOM   1552 C C   . SER A 1 222 ? -4.483  -11.945 -15.443 1.00 32.13  ? 398  SER A C   1 
ATOM   1553 O O   . SER A 1 222 ? -4.629  -12.716 -16.415 1.00 29.44  ? 398  SER A O   1 
ATOM   1554 C CB  . SER A 1 222 ? -2.418  -12.201 -14.084 1.00 34.87  ? 398  SER A CB  1 
ATOM   1555 O OG  . SER A 1 222 ? -1.054  -11.835 -13.945 1.00 36.76  ? 398  SER A OG  1 
ATOM   1556 N N   . TYR A 1 223 ? -5.479  -11.590 -14.649 1.00 32.23  ? 399  TYR A N   1 
ATOM   1557 C CA  . TYR A 1 223 ? -6.785  -12.218 -14.774 1.00 31.00  ? 399  TYR A CA  1 
ATOM   1558 C C   . TYR A 1 223 ? -7.513  -11.634 -15.982 1.00 30.95  ? 399  TYR A C   1 
ATOM   1559 O O   . TYR A 1 223 ? -8.174  -12.374 -16.703 1.00 29.07  ? 399  TYR A O   1 
ATOM   1560 C CB  . TYR A 1 223 ? -7.536  -12.124 -13.435 1.00 31.87  ? 399  TYR A CB  1 
ATOM   1561 C CG  . TYR A 1 223 ? -6.796  -12.888 -12.327 1.00 31.63  ? 399  TYR A CG  1 
ATOM   1562 C CD1 . TYR A 1 223 ? -6.780  -14.298 -12.284 1.00 31.57  ? 399  TYR A CD1 1 
ATOM   1563 C CD2 . TYR A 1 223 ? -6.086  -12.221 -11.353 1.00 32.70  ? 399  TYR A CD2 1 
ATOM   1564 C CE1 . TYR A 1 223 ? -6.077  -14.999 -11.287 1.00 31.02  ? 399  TYR A CE1 1 
ATOM   1565 C CE2 . TYR A 1 223 ? -5.404  -12.921 -10.350 1.00 32.70  ? 399  TYR A CE2 1 
ATOM   1566 C CZ  . TYR A 1 223 ? -5.404  -14.303 -10.338 1.00 31.78  ? 399  TYR A CZ  1 
ATOM   1567 O OH  . TYR A 1 223 ? -4.707  -14.973 -9.360  1.00 35.11  ? 399  TYR A OH  1 
ATOM   1568 N N   . LYS A 1 224 ? -7.302  -10.342 -16.257 1.00 31.18  ? 400  LYS A N   1 
ATOM   1569 C CA  . LYS A 1 224 ? -7.885  -9.710  -17.431 1.00 31.55  ? 400  LYS A CA  1 
ATOM   1570 C C   . LYS A 1 224 ? -7.314  -10.324 -18.681 1.00 30.22  ? 400  LYS A C   1 
ATOM   1571 O O   . LYS A 1 224 ? -8.014  -10.723 -19.583 1.00 29.15  ? 400  LYS A O   1 
ATOM   1572 C CB  . LYS A 1 224 ? -7.584  -8.219  -17.443 1.00 32.37  ? 400  LYS A CB  1 
ATOM   1573 C CG  . LYS A 1 224 ? -8.198  -7.503  -16.260 1.00 33.35  ? 400  LYS A CG  1 
ATOM   1574 C CD  . LYS A 1 224 ? -8.288  -6.011  -16.505 1.00 35.08  ? 400  LYS A CD  1 
ATOM   1575 C CE  . LYS A 1 224 ? -6.913  -5.384  -16.547 1.00 37.11  ? 400  LYS A CE  1 
ATOM   1576 N NZ  . LYS A 1 224 ? -7.030  -3.911  -16.655 1.00 39.37  ? 400  LYS A NZ  1 
ATOM   1577 N N   . ARG A 1 225 ? -6.001  -10.438 -18.680 1.00 31.43  ? 401  ARG A N   1 
ATOM   1578 C CA  . ARG A 1 225 ? -5.309  -11.012 -19.756 1.00 30.41  ? 401  ARG A CA  1 
ATOM   1579 C C   . ARG A 1 225 ? -5.767  -12.433 -20.037 1.00 29.75  ? 401  ARG A C   1 
ATOM   1580 O O   . ARG A 1 225 ? -5.836  -12.776 -21.215 1.00 26.85  ? 401  ARG A O   1 
ATOM   1581 C CB  . ARG A 1 225 ? -3.811  -10.899 -19.517 1.00 32.22  ? 401  ARG A CB  1 
ATOM   1582 C CG  . ARG A 1 225 ? -3.317  -9.467  -19.693 1.00 33.96  ? 401  ARG A CG  1 
ATOM   1583 C CD  . ARG A 1 225 ? -1.943  -9.280  -19.088 1.00 36.39  ? 401  ARG A CD  1 
ATOM   1584 N NE  . ARG A 1 225 ? -1.542  -7.871  -19.031 1.00 39.25  ? 401  ARG A NE  1 
ATOM   1585 C CZ  . ARG A 1 225 ? -0.543  -7.400  -18.281 1.00 41.41  ? 401  ARG A CZ  1 
ATOM   1586 N NH1 . ARG A 1 225 ? 0.166   -8.217  -17.508 1.00 41.46  ? 401  ARG A NH1 1 
ATOM   1587 N NH2 . ARG A 1 225 ? -0.257  -6.099  -18.295 1.00 43.85  ? 401  ARG A NH2 1 
ATOM   1588 N N   . VAL A 1 226 ? -6.149  -13.235 -19.023 1.00 29.95  ? 402  VAL A N   1 
ATOM   1589 C CA  . VAL A 1 226 ? -6.696  -14.589 -19.332 1.00 30.64  ? 402  VAL A CA  1 
ATOM   1590 C C   . VAL A 1 226 ? -8.045  -14.491 -20.062 1.00 30.52  ? 402  VAL A C   1 
ATOM   1591 O O   . VAL A 1 226 ? -8.353  -15.342 -20.934 1.00 27.75  ? 402  VAL A O   1 
ATOM   1592 C CB  . VAL A 1 226 ? -6.753  -15.644 -18.171 1.00 31.47  ? 402  VAL A CB  1 
ATOM   1593 C CG1 . VAL A 1 226 ? -5.633  -15.470 -17.164 1.00 32.44  ? 402  VAL A CG1 1 
ATOM   1594 C CG2 . VAL A 1 226 ? -8.112  -15.704 -17.481 1.00 32.62  ? 402  VAL A CG2 1 
ATOM   1595 N N   . ASP A 1 227 ? -8.837  -13.469 -19.700 1.00 31.40  ? 403  ASP A N   1 
ATOM   1596 C CA  . ASP A 1 227 ? -10.128 -13.228 -20.362 1.00 30.55  ? 403  ASP A CA  1 
ATOM   1597 C C   . ASP A 1 227 ? -9.914  -12.987 -21.855 1.00 30.32  ? 403  ASP A C   1 
ATOM   1598 O O   . ASP A 1 227 ? -10.598 -13.571 -22.690 1.00 30.83  ? 403  ASP A O   1 
ATOM   1599 C CB  . ASP A 1 227 ? -10.861 -12.013 -19.746 1.00 30.81  ? 403  ASP A CB  1 
ATOM   1600 C CG  . ASP A 1 227 ? -11.526 -12.311 -18.395 1.00 29.19  ? 403  ASP A CG  1 
ATOM   1601 O OD1 . ASP A 1 227 ? -11.730 -13.485 -18.021 1.00 29.49  ? 403  ASP A OD1 1 
ATOM   1602 O OD2 . ASP A 1 227 ? -11.892 -11.327 -17.733 1.00 27.56  ? 403  ASP A OD2 1 
ATOM   1603 N N   . ILE A 1 228 ? -8.927  -12.154 -22.187 1.00 31.82  ? 404  ILE A N   1 
ATOM   1604 C CA  . ILE A 1 228 ? -8.609  -11.806 -23.596 1.00 30.02  ? 404  ILE A CA  1 
ATOM   1605 C C   . ILE A 1 228 ? -8.261  -13.047 -24.426 1.00 28.24  ? 404  ILE A C   1 
ATOM   1606 O O   . ILE A 1 228 ? -8.746  -13.207 -25.566 1.00 27.09  ? 404  ILE A O   1 
ATOM   1607 C CB  . ILE A 1 228 ? -7.473  -10.760 -23.658 1.00 32.91  ? 404  ILE A CB  1 
ATOM   1608 C CG1 . ILE A 1 228 ? -7.858  -9.460  -22.898 1.00 34.51  ? 404  ILE A CG1 1 
ATOM   1609 C CG2 . ILE A 1 228 ? -7.007  -10.485 -25.094 1.00 32.56  ? 404  ILE A CG2 1 
ATOM   1610 C CD1 . ILE A 1 228 ? -9.336  -9.099  -22.877 1.00 34.33  ? 404  ILE A CD1 1 
ATOM   1611 N N   . TRP A 1 229 ? -7.426  -13.920 -23.878 1.00 26.33  ? 405  TRP A N   1 
ATOM   1612 C CA  . TRP A 1 229 ? -7.137  -15.187 -24.552 1.00 25.34  ? 405  TRP A CA  1 
ATOM   1613 C C   . TRP A 1 229 ? -8.434  -15.855 -24.924 1.00 25.21  ? 405  TRP A C   1 
ATOM   1614 O O   . TRP A 1 229 ? -8.658  -16.173 -26.105 1.00 25.00  ? 405  TRP A O   1 
ATOM   1615 C CB  . TRP A 1 229 ? -6.303  -16.122 -23.694 1.00 24.44  ? 405  TRP A CB  1 
ATOM   1616 C CG  . TRP A 1 229 ? -6.164  -17.564 -24.170 1.00 23.84  ? 405  TRP A CG  1 
ATOM   1617 C CD1 . TRP A 1 229 ? -6.965  -18.635 -23.841 1.00 23.32  ? 405  TRP A CD1 1 
ATOM   1618 C CD2 . TRP A 1 229 ? -5.134  -18.086 -25.006 1.00 24.16  ? 405  TRP A CD2 1 
ATOM   1619 N NE1 . TRP A 1 229 ? -6.519  -19.788 -24.460 1.00 23.06  ? 405  TRP A NE1 1 
ATOM   1620 C CE2 . TRP A 1 229 ? -5.373  -19.478 -25.154 1.00 24.27  ? 405  TRP A CE2 1 
ATOM   1621 C CE3 . TRP A 1 229 ? -4.037  -17.514 -25.657 1.00 24.61  ? 405  TRP A CE3 1 
ATOM   1622 C CZ2 . TRP A 1 229 ? -4.553  -20.289 -25.936 1.00 24.87  ? 405  TRP A CZ2 1 
ATOM   1623 C CZ3 . TRP A 1 229 ? -3.233  -18.313 -26.406 1.00 25.52  ? 405  TRP A CZ3 1 
ATOM   1624 C CH2 . TRP A 1 229 ? -3.494  -19.697 -26.550 1.00 25.48  ? 405  TRP A CH2 1 
ATOM   1625 N N   . ALA A 1 230 ? -9.264  -16.052 -23.895 1.00 24.74  ? 406  ALA A N   1 
ATOM   1626 C CA  . ALA A 1 230 ? -10.554 -16.722 -23.998 1.00 24.39  ? 406  ALA A CA  1 
ATOM   1627 C C   . ALA A 1 230 ? -11.472 -16.045 -25.014 1.00 23.41  ? 406  ALA A C   1 
ATOM   1628 O O   . ALA A 1 230 ? -12.068 -16.708 -25.809 1.00 22.78  ? 406  ALA A O   1 
ATOM   1629 C CB  . ALA A 1 230 ? -11.219 -16.819 -22.602 1.00 23.69  ? 406  ALA A CB  1 
ATOM   1630 N N   . PHE A 1 231 ? -11.527 -14.722 -24.972 1.00 24.68  ? 407  PHE A N   1 
ATOM   1631 C CA  . PHE A 1 231 ? -12.231 -13.909 -25.901 1.00 27.34  ? 407  PHE A CA  1 
ATOM   1632 C C   . PHE A 1 231 ? -11.790 -14.137 -27.375 1.00 27.53  ? 407  PHE A C   1 
ATOM   1633 O O   . PHE A 1 231 ? -12.629 -14.264 -28.274 1.00 25.78  ? 407  PHE A O   1 
ATOM   1634 C CB  . PHE A 1 231 ? -12.035 -12.435 -25.507 1.00 30.68  ? 407  PHE A CB  1 
ATOM   1635 C CG  . PHE A 1 231 ? -12.611 -11.472 -26.505 1.00 34.34  ? 407  PHE A CG  1 
ATOM   1636 C CD1 . PHE A 1 231 ? -13.985 -11.274 -26.587 1.00 35.78  ? 407  PHE A CD1 1 
ATOM   1637 C CD2 . PHE A 1 231 ? -11.782 -10.812 -27.401 1.00 39.31  ? 407  PHE A CD2 1 
ATOM   1638 C CE1 . PHE A 1 231 ? -14.533 -10.403 -27.504 1.00 37.35  ? 407  PHE A CE1 1 
ATOM   1639 C CE2 . PHE A 1 231 ? -12.316 -9.943  -28.330 1.00 41.65  ? 407  PHE A CE2 1 
ATOM   1640 C CZ  . PHE A 1 231 ? -13.698 -9.732  -28.376 1.00 42.39  ? 407  PHE A CZ  1 
ATOM   1641 N N   . GLY A 1 232 ? -10.479 -14.182 -27.598 1.00 26.93  ? 408  GLY A N   1 
ATOM   1642 C CA  . GLY A 1 232 ? -9.940  -14.424 -28.900 1.00 26.46  ? 408  GLY A CA  1 
ATOM   1643 C C   . GLY A 1 232 ? -10.351 -15.780 -29.424 1.00 26.03  ? 408  GLY A C   1 
ATOM   1644 O O   . GLY A 1 232 ? -10.604 -15.919 -30.620 1.00 27.26  ? 408  GLY A O   1 
ATOM   1645 N N   . LEU A 1 233 ? -10.441 -16.775 -28.546 1.00 24.71  ? 409  LEU A N   1 
ATOM   1646 C CA  . LEU A 1 233 ? -10.915 -18.080 -28.944 1.00 25.43  ? 409  LEU A CA  1 
ATOM   1647 C C   . LEU A 1 233 ? -12.387 -17.994 -29.332 1.00 27.60  ? 409  LEU A C   1 
ATOM   1648 O O   . LEU A 1 233 ? -12.795 -18.638 -30.292 1.00 26.31  ? 409  LEU A O   1 
ATOM   1649 C CB  . LEU A 1 233 ? -10.737 -19.124 -27.835 1.00 25.31  ? 409  LEU A CB  1 
ATOM   1650 C CG  . LEU A 1 233 ? -9.324  -19.426 -27.323 1.00 25.69  ? 409  LEU A CG  1 
ATOM   1651 C CD1 . LEU A 1 233 ? -9.394  -20.614 -26.379 1.00 25.68  ? 409  LEU A CD1 1 
ATOM   1652 C CD2 . LEU A 1 233 ? -8.353  -19.752 -28.459 1.00 26.83  ? 409  LEU A CD2 1 
ATOM   1653 N N   . VAL A 1 234 ? -13.172 -17.209 -28.579 1.00 28.37  ? 410  VAL A N   1 
ATOM   1654 C CA  . VAL A 1 234 ? -14.584 -17.012 -28.940 1.00 30.08  ? 410  VAL A CA  1 
ATOM   1655 C C   . VAL A 1 234 ? -14.691 -16.291 -30.286 1.00 31.24  ? 410  VAL A C   1 
ATOM   1656 O O   . VAL A 1 234 ? -15.531 -16.658 -31.106 1.00 33.90  ? 410  VAL A O   1 
ATOM   1657 C CB  . VAL A 1 234 ? -15.399 -16.250 -27.860 1.00 28.91  ? 410  VAL A CB  1 
ATOM   1658 C CG1 . VAL A 1 234 ? -16.822 -15.986 -28.342 1.00 29.23  ? 410  VAL A CG1 1 
ATOM   1659 C CG2 . VAL A 1 234 ? -15.471 -17.051 -26.550 1.00 27.63  ? 410  VAL A CG2 1 
ATOM   1660 N N   . LEU A 1 235 ? -13.909 -15.230 -30.477 1.00 30.98  ? 411  LEU A N   1 
ATOM   1661 C CA  . LEU A 1 235 ? -13.865 -14.495 -31.748 1.00 32.61  ? 411  LEU A CA  1 
ATOM   1662 C C   . LEU A 1 235 ? -13.817 -15.459 -32.937 1.00 31.03  ? 411  LEU A C   1 
ATOM   1663 O O   . LEU A 1 235 ? -14.543 -15.282 -33.892 1.00 30.07  ? 411  LEU A O   1 
ATOM   1664 C CB  . LEU A 1 235 ? -12.631 -13.569 -31.819 1.00 35.82  ? 411  LEU A CB  1 
ATOM   1665 C CG  . LEU A 1 235 ? -12.828 -12.073 -32.081 1.00 39.52  ? 411  LEU A CG  1 
ATOM   1666 C CD1 . LEU A 1 235 ? -13.858 -11.496 -31.121 1.00 41.40  ? 411  LEU A CD1 1 
ATOM   1667 C CD2 . LEU A 1 235 ? -11.519 -11.338 -31.902 1.00 39.96  ? 411  LEU A CD2 1 
ATOM   1668 N N   . TRP A 1 236 ? -12.943 -16.461 -32.828 1.00 29.93  ? 412  TRP A N   1 
ATOM   1669 C CA  . TRP A 1 236 ? -12.693 -17.503 -33.834 1.00 30.34  ? 412  TRP A CA  1 
ATOM   1670 C C   . TRP A 1 236 ? -13.909 -18.399 -34.094 1.00 30.86  ? 412  TRP A C   1 
ATOM   1671 O O   . TRP A 1 236 ? -14.243 -18.692 -35.246 1.00 29.92  ? 412  TRP A O   1 
ATOM   1672 C CB  . TRP A 1 236 ? -11.470 -18.347 -33.414 1.00 28.74  ? 412  TRP A CB  1 
ATOM   1673 C CG  . TRP A 1 236 ? -11.052 -19.454 -34.331 1.00 27.57  ? 412  TRP A CG  1 
ATOM   1674 C CD1 . TRP A 1 236 ? -10.229 -19.352 -35.443 1.00 27.51  ? 412  TRP A CD1 1 
ATOM   1675 C CD2 . TRP A 1 236 ? -11.411 -20.856 -34.223 1.00 26.65  ? 412  TRP A CD2 1 
ATOM   1676 N NE1 . TRP A 1 236 ? -10.065 -20.599 -36.010 1.00 27.20  ? 412  TRP A NE1 1 
ATOM   1677 C CE2 . TRP A 1 236 ? -10.791 -21.531 -35.301 1.00 27.33  ? 412  TRP A CE2 1 
ATOM   1678 C CE3 . TRP A 1 236 ? -12.225 -21.596 -33.344 1.00 26.14  ? 412  TRP A CE3 1 
ATOM   1679 C CZ2 . TRP A 1 236 ? -10.944 -22.931 -35.508 1.00 27.49  ? 412  TRP A CZ2 1 
ATOM   1680 C CZ3 . TRP A 1 236 ? -12.371 -23.002 -33.553 1.00 25.67  ? 412  TRP A CZ3 1 
ATOM   1681 C CH2 . TRP A 1 236 ? -11.712 -23.639 -34.603 1.00 27.29  ? 412  TRP A CH2 1 
ATOM   1682 N N   . GLU A 1 237 ? -14.568 -18.821 -33.025 1.00 31.56  ? 413  GLU A N   1 
ATOM   1683 C CA  . GLU A 1 237 ? -15.759 -19.684 -33.123 1.00 30.41  ? 413  GLU A CA  1 
ATOM   1684 C C   . GLU A 1 237 ? -16.813 -19.024 -33.955 1.00 29.50  ? 413  GLU A C   1 
ATOM   1685 O O   . GLU A 1 237 ? -17.412 -19.672 -34.806 1.00 29.83  ? 413  GLU A O   1 
ATOM   1686 C CB  . GLU A 1 237 ? -16.367 -19.925 -31.746 1.00 31.53  ? 413  GLU A CB  1 
ATOM   1687 C CG  . GLU A 1 237 ? -15.524 -20.746 -30.816 1.00 32.34  ? 413  GLU A CG  1 
ATOM   1688 C CD  . GLU A 1 237 ? -16.220 -20.977 -29.489 1.00 32.01  ? 413  GLU A CD  1 
ATOM   1689 O OE1 . GLU A 1 237 ? -17.230 -21.710 -29.473 1.00 29.41  ? 413  GLU A OE1 1 
ATOM   1690 O OE2 . GLU A 1 237 ? -15.754 -20.424 -28.479 1.00 32.88  ? 413  GLU A OE2 1 
ATOM   1691 N N   . VAL A 1 238 ? -17.000 -17.728 -33.675 1.00 29.21  ? 414  VAL A N   1 
ATOM   1692 C CA  . VAL A 1 238 ? -17.943 -16.838 -34.329 1.00 30.60  ? 414  VAL A CA  1 
ATOM   1693 C C   . VAL A 1 238 ? -17.579 -16.567 -35.791 1.00 31.98  ? 414  VAL A C   1 
ATOM   1694 O O   . VAL A 1 238 ? -18.405 -16.680 -36.682 1.00 35.45  ? 414  VAL A O   1 
ATOM   1695 C CB  . VAL A 1 238 ? -18.002 -15.440 -33.645 1.00 30.79  ? 414  VAL A CB  1 
ATOM   1696 C CG1 . VAL A 1 238 ? -19.026 -14.544 -34.354 1.00 31.30  ? 414  VAL A CG1 1 
ATOM   1697 C CG2 . VAL A 1 238 ? -18.417 -15.525 -32.175 1.00 31.19  ? 414  VAL A CG2 1 
ATOM   1698 N N   . ALA A 1 239 ? -16.349 -16.120 -36.017 1.00 31.11  ? 415  ALA A N   1 
ATOM   1699 C CA  . ALA A 1 239 ? -15.879 -15.835 -37.364 1.00 31.65  ? 415  ALA A CA  1 
ATOM   1700 C C   . ALA A 1 239 ? -16.114 -17.008 -38.323 1.00 30.85  ? 415  ALA A C   1 
ATOM   1701 O O   . ALA A 1 239 ? -16.601 -16.769 -39.431 1.00 32.78  ? 415  ALA A O   1 
ATOM   1702 C CB  . ALA A 1 239 ? -14.424 -15.427 -37.336 1.00 31.42  ? 415  ALA A CB  1 
ATOM   1703 N N   . ARG A 1 240 ? -15.858 -18.245 -37.880 1.00 28.65  ? 416  ARG A N   1 
ATOM   1704 C CA  . ARG A 1 240 ? -16.021 -19.421 -38.735 1.00 29.90  ? 416  ARG A CA  1 
ATOM   1705 C C   . ARG A 1 240 ? -17.420 -19.564 -39.350 1.00 31.04  ? 416  ARG A C   1 
ATOM   1706 O O   . ARG A 1 240 ? -17.589 -20.191 -40.403 1.00 30.92  ? 416  ARG A O   1 
ATOM   1707 C CB  . ARG A 1 240 ? -15.697 -20.699 -37.982 1.00 29.95  ? 416  ARG A CB  1 
ATOM   1708 C CG  . ARG A 1 240 ? -14.226 -21.079 -37.961 1.00 30.74  ? 416  ARG A CG  1 
ATOM   1709 C CD  . ARG A 1 240 ? -14.012 -22.145 -36.904 1.00 31.24  ? 416  ARG A CD  1 
ATOM   1710 N NE  . ARG A 1 240 ? -14.630 -23.417 -37.258 1.00 31.27  ? 416  ARG A NE  1 
ATOM   1711 C CZ  . ARG A 1 240 ? -14.067 -24.361 -37.997 1.00 32.29  ? 416  ARG A CZ  1 
ATOM   1712 N NH1 . ARG A 1 240 ? -12.833 -24.209 -38.513 1.00 32.89  ? 416  ARG A NH1 1 
ATOM   1713 N NH2 . ARG A 1 240 ? -14.757 -25.465 -38.253 1.00 32.46  ? 416  ARG A NH2 1 
ATOM   1714 N N   . ARG A 1 241 ? -18.413 -19.003 -38.652 1.00 31.32  ? 417  ARG A N   1 
ATOM   1715 C CA  . ARG A 1 241 ? -19.812 -19.048 -39.043 1.00 31.51  ? 417  ARG A CA  1 
ATOM   1716 C C   . ARG A 1 241 ? -20.279 -17.843 -39.846 1.00 32.37  ? 417  ARG A C   1 
ATOM   1717 O O   . ARG A 1 241 ? -21.453 -17.808 -40.243 1.00 32.84  ? 417  ARG A O   1 
ATOM   1718 C CB  . ARG A 1 241 ? -20.663 -19.203 -37.759 1.00 30.39  ? 417  ARG A CB  1 
ATOM   1719 C CG  . ARG A 1 241 ? -20.291 -20.441 -36.971 1.00 30.21  ? 417  ARG A CG  1 
ATOM   1720 C CD  . ARG A 1 241 ? -20.519 -21.741 -37.737 1.00 32.25  ? 417  ARG A CD  1 
ATOM   1721 N NE  . ARG A 1 241 ? -21.943 -21.979 -37.988 1.00 35.11  ? 417  ARG A NE  1 
ATOM   1722 C CZ  . ARG A 1 241 ? -22.466 -22.805 -38.905 1.00 36.40  ? 417  ARG A CZ  1 
ATOM   1723 N NH1 . ARG A 1 241 ? -21.704 -23.494 -39.762 1.00 36.63  ? 417  ARG A NH1 1 
ATOM   1724 N NH2 . ARG A 1 241 ? -23.797 -22.923 -38.965 1.00 38.10  ? 417  ARG A NH2 1 
ATOM   1725 N N   . MET A 1 242 ? -19.396 -16.863 -40.081 1.00 32.66  ? 418  MET A N   1 
ATOM   1726 C CA  . MET A 1 242 ? -19.723 -15.730 -40.942 1.00 34.15  ? 418  MET A CA  1 
ATOM   1727 C C   . MET A 1 242 ? -19.500 -16.152 -42.405 1.00 35.90  ? 418  MET A C   1 
ATOM   1728 O O   . MET A 1 242 ? -18.407 -16.619 -42.766 1.00 33.87  ? 418  MET A O   1 
ATOM   1729 C CB  . MET A 1 242 ? -18.882 -14.499 -40.603 1.00 33.73  ? 418  MET A CB  1 
ATOM   1730 C CG  . MET A 1 242 ? -19.420 -13.207 -41.217 1.00 36.09  ? 418  MET A CG  1 
ATOM   1731 S SD  . MET A 1 242 ? -18.225 -11.843 -41.300 1.00 38.00  ? 418  MET A SD  1 
ATOM   1732 C CE  . MET A 1 242 ? -17.917 -11.709 -43.067 1.00 39.47  ? 418  MET A CE  1 
ATOM   1733 N N   . VAL A 1 243 ? -20.531 -15.987 -43.229 1.00 38.43  ? 419  VAL A N   1 
ATOM   1734 C CA  . VAL A 1 243 ? -20.447 -16.348 -44.647 1.00 41.88  ? 419  VAL A CA  1 
ATOM   1735 C C   . VAL A 1 243 ? -19.656 -15.315 -45.445 1.00 43.21  ? 419  VAL A C   1 
ATOM   1736 O O   . VAL A 1 243 ? -19.928 -14.116 -45.362 1.00 46.58  ? 419  VAL A O   1 
ATOM   1737 C CB  . VAL A 1 243 ? -21.841 -16.481 -45.289 1.00 43.28  ? 419  VAL A CB  1 
ATOM   1738 C CG1 . VAL A 1 243 ? -21.755 -16.654 -46.801 1.00 44.10  ? 419  VAL A CG1 1 
ATOM   1739 C CG2 . VAL A 1 243 ? -22.559 -17.660 -44.682 1.00 43.79  ? 419  VAL A CG2 1 
ATOM   1740 N N   . SER A 1 244 ? -18.709 -15.785 -46.244 1.00 43.25  ? 420  SER A N   1 
ATOM   1741 C CA  . SER A 1 244 ? -18.122 -14.937 -47.298 1.00 43.66  ? 420  SER A CA  1 
ATOM   1742 C C   . SER A 1 244 ? -18.146 -15.717 -48.589 1.00 44.34  ? 420  SER A C   1 
ATOM   1743 O O   . SER A 1 244 ? -17.798 -16.906 -48.605 1.00 43.80  ? 420  SER A O   1 
ATOM   1744 C CB  . SER A 1 244 ? -16.695 -14.534 -46.974 1.00 40.81  ? 420  SER A CB  1 
ATOM   1745 O OG  . SER A 1 244 ? -15.925 -15.703 -46.792 1.00 39.58  ? 420  SER A OG  1 
ATOM   1746 N N   . ASN A 1 245 ? -18.558 -15.050 -49.665 1.00 46.84  ? 421  ASN A N   1 
ATOM   1747 C CA  . ASN A 1 245 ? -18.654 -15.694 -50.981 1.00 48.29  ? 421  ASN A CA  1 
ATOM   1748 C C   . ASN A 1 245 ? -19.343 -17.066 -50.885 1.00 48.18  ? 421  ASN A C   1 
ATOM   1749 O O   . ASN A 1 245 ? -18.853 -18.056 -51.419 1.00 48.53  ? 421  ASN A O   1 
ATOM   1750 C CB  . ASN A 1 245 ? -17.259 -15.871 -51.594 1.00 48.97  ? 421  ASN A CB  1 
ATOM   1751 C CG  . ASN A 1 245 ? -16.495 -14.562 -51.711 1.00 50.93  ? 421  ASN A CG  1 
ATOM   1752 O OD1 . ASN A 1 245 ? -17.020 -13.564 -52.205 1.00 54.71  ? 421  ASN A OD1 1 
ATOM   1753 N ND2 . ASN A 1 245 ? -15.248 -14.563 -51.264 1.00 50.52  ? 421  ASN A ND2 1 
ATOM   1754 N N   . GLY A 1 246 ? -20.427 -17.141 -50.119 1.00 48.12  ? 422  GLY A N   1 
ATOM   1755 C CA  . GLY A 1 246 ? -21.142 -18.390 -49.936 1.00 48.67  ? 422  GLY A CA  1 
ATOM   1756 C C   . GLY A 1 246 ? -20.365 -19.599 -49.443 1.00 48.29  ? 422  GLY A C   1 
ATOM   1757 O O   . GLY A 1 246 ? -20.771 -20.730 -49.712 1.00 50.75  ? 422  GLY A O   1 
ATOM   1758 N N   . ILE A 1 247 ? -19.255 -19.390 -48.730 1.00 46.11  ? 423  ILE A N   1 
ATOM   1759 C CA  . ILE A 1 247 ? -18.775 -20.452 -47.848 1.00 44.32  ? 423  ILE A CA  1 
ATOM   1760 C C   . ILE A 1 247 ? -18.584 -20.003 -46.424 1.00 42.27  ? 423  ILE A C   1 
ATOM   1761 O O   . ILE A 1 247 ? -18.484 -18.802 -46.110 1.00 41.55  ? 423  ILE A O   1 
ATOM   1762 C CB  . ILE A 1 247 ? -17.534 -21.229 -48.346 1.00 45.12  ? 423  ILE A CB  1 
ATOM   1763 C CG1 . ILE A 1 247 ? -16.481 -20.280 -48.924 1.00 44.97  ? 423  ILE A CG1 1 
ATOM   1764 C CG2 . ILE A 1 247 ? -17.988 -22.361 -49.296 1.00 47.06  ? 423  ILE A CG2 1 
ATOM   1765 C CD1 . ILE A 1 247 ? -16.434 -20.241 -50.436 1.00 45.12  ? 423  ILE A CD1 1 
ATOM   1766 N N   . VAL A 1 248 ? -18.566 -21.029 -45.583 1.00 41.14  ? 424  VAL A N   1 
ATOM   1767 C CA  . VAL A 1 248 ? -18.657 -20.917 -44.160 1.00 38.41  ? 424  VAL A CA  1 
ATOM   1768 C C   . VAL A 1 248 ? -18.061 -22.212 -43.604 1.00 38.19  ? 424  VAL A C   1 
ATOM   1769 O O   . VAL A 1 248 ? -18.084 -23.241 -44.300 1.00 38.09  ? 424  VAL A O   1 
ATOM   1770 C CB  . VAL A 1 248 ? -20.141 -20.750 -43.730 1.00 38.35  ? 424  VAL A CB  1 
ATOM   1771 C CG1 . VAL A 1 248 ? -20.976 -22.013 -44.016 1.00 37.96  ? 424  VAL A CG1 1 
ATOM   1772 C CG2 . VAL A 1 248 ? -20.215 -20.329 -42.260 1.00 36.38  ? 424  VAL A CG2 1 
ATOM   1773 N N   . GLU A 1 249 ? -17.502 -22.165 -42.385 1.00 37.22  ? 425  GLU A N   1 
ATOM   1774 C CA  . GLU A 1 249 ? -17.038 -23.383 -41.737 1.00 36.75  ? 425  GLU A CA  1 
ATOM   1775 C C   . GLU A 1 249 ? -18.122 -23.923 -40.824 1.00 38.06  ? 425  GLU A C   1 
ATOM   1776 O O   . GLU A 1 249 ? -18.981 -23.191 -40.352 1.00 35.90  ? 425  GLU A O   1 
ATOM   1777 C CB  . GLU A 1 249 ? -15.733 -23.178 -40.960 1.00 35.51  ? 425  GLU A CB  1 
ATOM   1778 C CG  . GLU A 1 249 ? -14.529 -22.948 -41.846 1.00 35.55  ? 425  GLU A CG  1 
ATOM   1779 C CD  . GLU A 1 249 ? -14.498 -21.543 -42.411 1.00 36.24  ? 425  GLU A CD  1 
ATOM   1780 O OE1 . GLU A 1 249 ? -14.589 -20.581 -41.610 1.00 32.54  ? 425  GLU A OE1 1 
ATOM   1781 O OE2 . GLU A 1 249 ? -14.428 -21.392 -43.667 1.00 38.12  ? 425  GLU A OE2 1 
ATOM   1782 N N   . ASP A 1 250 ? -18.071 -25.236 -40.631 1.00 40.55  ? 426  ASP A N   1 
ATOM   1783 C CA  . ASP A 1 250 ? -18.914 -25.918 -39.681 1.00 42.57  ? 426  ASP A CA  1 
ATOM   1784 C C   . ASP A 1 250 ? -18.590 -25.429 -38.280 1.00 38.87  ? 426  ASP A C   1 
ATOM   1785 O O   . ASP A 1 250 ? -17.448 -25.041 -38.014 1.00 38.03  ? 426  ASP A O   1 
ATOM   1786 C CB  . ASP A 1 250 ? -18.681 -27.425 -39.784 1.00 46.77  ? 426  ASP A CB  1 
ATOM   1787 C CG  . ASP A 1 250 ? -19.366 -28.033 -40.990 1.00 51.33  ? 426  ASP A CG  1 
ATOM   1788 O OD1 . ASP A 1 250 ? -19.756 -27.282 -41.915 1.00 54.89  ? 426  ASP A OD1 1 
ATOM   1789 O OD2 . ASP A 1 250 ? -19.539 -29.269 -41.005 1.00 57.55  ? 426  ASP A OD2 1 
ATOM   1790 N N   . TYR A 1 251 ? -19.585 -25.417 -37.393 1.00 35.48  ? 427  TYR A N   1 
ATOM   1791 C CA  . TYR A 1 251 ? -19.322 -24.980 -36.032 1.00 34.21  ? 427  TYR A CA  1 
ATOM   1792 C C   . TYR A 1 251 ? -18.244 -25.886 -35.455 1.00 34.05  ? 427  TYR A C   1 
ATOM   1793 O O   . TYR A 1 251 ? -18.377 -27.125 -35.534 1.00 34.51  ? 427  TYR A O   1 
ATOM   1794 C CB  . TYR A 1 251 ? -20.553 -25.003 -35.081 1.00 32.62  ? 427  TYR A CB  1 
ATOM   1795 C CG  . TYR A 1 251 ? -20.006 -24.746 -33.670 1.00 31.68  ? 427  TYR A CG  1 
ATOM   1796 C CD1 . TYR A 1 251 ? -19.663 -23.446 -33.267 1.00 29.98  ? 427  TYR A CD1 1 
ATOM   1797 C CD2 . TYR A 1 251 ? -19.639 -25.806 -32.838 1.00 31.54  ? 427  TYR A CD2 1 
ATOM   1798 C CE1 . TYR A 1 251 ? -19.072 -23.207 -32.049 1.00 29.41  ? 427  TYR A CE1 1 
ATOM   1799 C CE2 . TYR A 1 251 ? -19.034 -25.576 -31.609 1.00 31.04  ? 427  TYR A CE2 1 
ATOM   1800 C CZ  . TYR A 1 251 ? -18.750 -24.278 -31.218 1.00 30.42  ? 427  TYR A CZ  1 
ATOM   1801 O OH  . TYR A 1 251 ? -18.130 -24.033 -29.994 1.00 29.98  ? 427  TYR A OH  1 
ATOM   1802 N N   . LYS A 1 252 ? -17.200 -25.287 -34.864 1.00 35.27  ? 428  LYS A N   1 
ATOM   1803 C CA  . LYS A 1 252 ? -16.233 -26.073 -34.074 1.00 34.33  ? 428  LYS A CA  1 
ATOM   1804 C C   . LYS A 1 252 ? -15.772 -25.387 -32.794 1.00 31.29  ? 428  LYS A C   1 
ATOM   1805 O O   . LYS A 1 252 ? -15.573 -24.151 -32.765 1.00 29.23  ? 428  LYS A O   1 
ATOM   1806 C CB  . LYS A 1 252 ? -15.019 -26.477 -34.901 1.00 36.76  ? 428  LYS A CB  1 
ATOM   1807 C CG  . LYS A 1 252 ? -15.286 -27.478 -36.011 1.00 38.89  ? 428  LYS A CG  1 
ATOM   1808 C CD  . LYS A 1 252 ? -15.624 -28.876 -35.533 1.00 41.20  ? 428  LYS A CD  1 
ATOM   1809 C CE  . LYS A 1 252 ? -15.891 -29.741 -36.762 1.00 44.96  ? 428  LYS A CE  1 
ATOM   1810 N NZ  . LYS A 1 252 ? -16.376 -31.116 -36.465 1.00 47.46  ? 428  LYS A NZ  1 
ATOM   1811 N N   . PRO A 1 253 ? -15.604 -26.189 -31.724 1.00 30.06  ? 429  PRO A N   1 
ATOM   1812 C CA  . PRO A 1 253 ? -14.984 -25.679 -30.503 1.00 29.34  ? 429  PRO A CA  1 
ATOM   1813 C C   . PRO A 1 253 ? -13.479 -25.430 -30.759 1.00 30.87  ? 429  PRO A C   1 
ATOM   1814 O O   . PRO A 1 253 ? -12.886 -26.173 -31.563 1.00 30.73  ? 429  PRO A O   1 
ATOM   1815 C CB  . PRO A 1 253 ? -15.177 -26.824 -29.534 1.00 29.40  ? 429  PRO A CB  1 
ATOM   1816 C CG  . PRO A 1 253 ? -15.234 -28.050 -30.363 1.00 29.66  ? 429  PRO A CG  1 
ATOM   1817 C CD  . PRO A 1 253 ? -15.900 -27.635 -31.617 1.00 30.09  ? 429  PRO A CD  1 
ATOM   1818 N N   . PRO A 1 254 ? -12.873 -24.390 -30.132 1.00 31.32  ? 430  PRO A N   1 
ATOM   1819 C CA  . PRO A 1 254 ? -11.412 -24.191 -30.346 1.00 32.04  ? 430  PRO A CA  1 
ATOM   1820 C C   . PRO A 1 254 ? -10.641 -25.445 -29.982 1.00 32.32  ? 430  PRO A C   1 
ATOM   1821 O O   . PRO A 1 254 ? -10.968 -26.086 -28.969 1.00 30.12  ? 430  PRO A O   1 
ATOM   1822 C CB  . PRO A 1 254 ? -11.034 -23.039 -29.398 1.00 30.91  ? 430  PRO A CB  1 
ATOM   1823 C CG  . PRO A 1 254 ? -12.217 -22.816 -28.525 1.00 31.25  ? 430  PRO A CG  1 
ATOM   1824 C CD  . PRO A 1 254 ? -13.436 -23.338 -29.269 1.00 31.28  ? 430  PRO A CD  1 
ATOM   1825 N N   . PHE A 1 255 ? -9.647  -25.773 -30.816 1.00 32.22  ? 431  PHE A N   1 
ATOM   1826 C CA  . PHE A 1 255 ? -8.705  -26.882 -30.599 1.00 32.63  ? 431  PHE A CA  1 
ATOM   1827 C C   . PHE A 1 255 ? -9.324  -28.273 -30.832 1.00 33.27  ? 431  PHE A C   1 
ATOM   1828 O O   . PHE A 1 255 ? -8.754  -29.290 -30.413 1.00 32.12  ? 431  PHE A O   1 
ATOM   1829 C CB  . PHE A 1 255 ? -7.987  -26.758 -29.223 1.00 33.90  ? 431  PHE A CB  1 
ATOM   1830 C CG  . PHE A 1 255 ? -7.197  -25.475 -29.077 1.00 35.25  ? 431  PHE A CG  1 
ATOM   1831 C CD1 . PHE A 1 255 ? -6.011  -25.294 -29.782 1.00 36.77  ? 431  PHE A CD1 1 
ATOM   1832 C CD2 . PHE A 1 255 ? -7.665  -24.429 -28.301 1.00 36.45  ? 431  PHE A CD2 1 
ATOM   1833 C CE1 . PHE A 1 255 ? -5.299  -24.109 -29.682 1.00 37.39  ? 431  PHE A CE1 1 
ATOM   1834 C CE2 . PHE A 1 255 ? -6.954  -23.242 -28.201 1.00 36.37  ? 431  PHE A CE2 1 
ATOM   1835 C CZ  . PHE A 1 255 ? -5.775  -23.081 -28.897 1.00 37.35  ? 431  PHE A CZ  1 
ATOM   1836 N N   . TYR A 1 256 ? -10.476 -28.311 -31.522 1.00 32.77  ? 432  TYR A N   1 
ATOM   1837 C CA  . TYR A 1 256 ? -11.204 -29.567 -31.846 1.00 33.78  ? 432  TYR A CA  1 
ATOM   1838 C C   . TYR A 1 256 ? -10.342 -30.640 -32.505 1.00 34.89  ? 432  TYR A C   1 
ATOM   1839 O O   . TYR A 1 256 ? -10.500 -31.821 -32.232 1.00 35.48  ? 432  TYR A O   1 
ATOM   1840 C CB  . TYR A 1 256 ? -12.399 -29.278 -32.770 1.00 33.53  ? 432  TYR A CB  1 
ATOM   1841 C CG  . TYR A 1 256 ? -12.015 -28.886 -34.211 1.00 33.78  ? 432  TYR A CG  1 
ATOM   1842 C CD1 . TYR A 1 256 ? -11.657 -27.570 -34.545 1.00 32.94  ? 432  TYR A CD1 1 
ATOM   1843 C CD2 . TYR A 1 256 ? -12.034 -29.843 -35.235 1.00 34.10  ? 432  TYR A CD2 1 
ATOM   1844 C CE1 . TYR A 1 256 ? -11.344 -27.230 -35.860 1.00 33.79  ? 432  TYR A CE1 1 
ATOM   1845 C CE2 . TYR A 1 256 ? -11.709 -29.520 -36.533 1.00 35.52  ? 432  TYR A CE2 1 
ATOM   1846 C CZ  . TYR A 1 256 ? -11.372 -28.216 -36.847 1.00 35.14  ? 432  TYR A CZ  1 
ATOM   1847 O OH  . TYR A 1 256 ? -11.052 -27.923 -38.155 1.00 36.14  ? 432  TYR A OH  1 
ATOM   1848 N N   . ASP A 1 257 ? -9.431  -30.208 -33.374 1.00 36.15  ? 433  ASP A N   1 
ATOM   1849 C CA  . ASP A 1 257 ? -8.606  -31.119 -34.181 1.00 37.59  ? 433  ASP A CA  1 
ATOM   1850 C C   . ASP A 1 257 ? -7.428  -31.744 -33.438 1.00 38.77  ? 433  ASP A C   1 
ATOM   1851 O O   . ASP A 1 257 ? -6.825  -32.716 -33.915 1.00 44.54  ? 433  ASP A O   1 
ATOM   1852 C CB  . ASP A 1 257 ? -8.076  -30.391 -35.430 1.00 37.58  ? 433  ASP A CB  1 
ATOM   1853 C CG  . ASP A 1 257 ? -7.441  -29.040 -35.120 1.00 37.46  ? 433  ASP A CG  1 
ATOM   1854 O OD1 . ASP A 1 257 ? -7.377  -28.632 -33.947 1.00 37.07  ? 433  ASP A OD1 1 
ATOM   1855 O OD2 . ASP A 1 257 ? -7.024  -28.349 -36.067 1.00 38.61  ? 433  ASP A OD2 1 
ATOM   1856 N N   . VAL A 1 258 ? -7.070  -31.159 -32.310 1.00 37.19  ? 434  VAL A N   1 
ATOM   1857 C CA  . VAL A 1 258 ? -5.892  -31.570 -31.539 1.00 37.89  ? 434  VAL A CA  1 
ATOM   1858 C C   . VAL A 1 258 ? -6.180  -31.924 -30.079 1.00 39.24  ? 434  VAL A C   1 
ATOM   1859 O O   . VAL A 1 258 ? -5.270  -32.332 -29.371 1.00 38.76  ? 434  VAL A O   1 
ATOM   1860 C CB  . VAL A 1 258 ? -4.824  -30.479 -31.608 1.00 37.22  ? 434  VAL A CB  1 
ATOM   1861 C CG1 . VAL A 1 258 ? -4.221  -30.447 -33.027 1.00 37.55  ? 434  VAL A CG1 1 
ATOM   1862 C CG2 . VAL A 1 258 ? -5.407  -29.118 -31.200 1.00 35.13  ? 434  VAL A CG2 1 
ATOM   1863 N N   . VAL A 1 259 ? -7.434  -31.782 -29.627 1.00 38.57  ? 435  VAL A N   1 
ATOM   1864 C CA  . VAL A 1 259 ? -7.808  -32.305 -28.310 1.00 41.05  ? 435  VAL A CA  1 
ATOM   1865 C C   . VAL A 1 259 ? -9.139  -33.038 -28.376 1.00 41.51  ? 435  VAL A C   1 
ATOM   1866 O O   . VAL A 1 259 ? -10.018 -32.646 -29.157 1.00 41.47  ? 435  VAL A O   1 
ATOM   1867 C CB  . VAL A 1 259 ? -7.801  -31.215 -27.198 1.00 39.64  ? 435  VAL A CB  1 
ATOM   1868 C CG1 . VAL A 1 259 ? -6.383  -30.666 -26.985 1.00 39.86  ? 435  VAL A CG1 1 
ATOM   1869 C CG2 . VAL A 1 259 ? -8.794  -30.090 -27.464 1.00 37.70  ? 435  VAL A CG2 1 
ATOM   1870 N N   . PRO A 1 260 ? -9.290  -34.112 -27.558 1.00 44.16  ? 436  PRO A N   1 
ATOM   1871 C CA  . PRO A 1 260 ? -10.595 -34.788 -27.479 1.00 43.79  ? 436  PRO A CA  1 
ATOM   1872 C C   . PRO A 1 260 ? -11.613 -33.922 -26.775 1.00 41.08  ? 436  PRO A C   1 
ATOM   1873 O O   . PRO A 1 260 ? -11.274 -32.850 -26.271 1.00 38.38  ? 436  PRO A O   1 
ATOM   1874 C CB  . PRO A 1 260 ? -10.300 -36.056 -26.671 1.00 45.82  ? 436  PRO A CB  1 
ATOM   1875 C CG  . PRO A 1 260 ? -9.089  -35.741 -25.857 1.00 46.96  ? 436  PRO A CG  1 
ATOM   1876 C CD  . PRO A 1 260 ? -8.343  -34.623 -26.541 1.00 46.13  ? 436  PRO A CD  1 
ATOM   1877 N N   . ASN A 1 261 ? -12.861 -34.372 -26.780 1.00 42.65  ? 437  ASN A N   1 
ATOM   1878 C CA  . ASN A 1 261 ? -13.890 -33.773 -25.953 1.00 42.19  ? 437  ASN A CA  1 
ATOM   1879 C C   . ASN A 1 261 ? -13.493 -33.853 -24.449 1.00 41.33  ? 437  ASN A C   1 
ATOM   1880 O O   . ASN A 1 261 ? -12.906 -34.847 -23.996 1.00 39.98  ? 437  ASN A O   1 
ATOM   1881 C CB  . ASN A 1 261 ? -15.246 -34.450 -26.239 1.00 45.49  ? 437  ASN A CB  1 
ATOM   1882 C CG  . ASN A 1 261 ? -16.292 -34.156 -25.173 1.00 47.72  ? 437  ASN A CG  1 
ATOM   1883 O OD1 . ASN A 1 261 ? -16.350 -34.829 -24.128 1.00 49.45  ? 437  ASN A OD1 1 
ATOM   1884 N ND2 . ASN A 1 261 ? -17.122 -33.150 -25.425 1.00 48.56  ? 437  ASN A ND2 1 
ATOM   1885 N N   . ASP A 1 262 ? -13.798 -32.793 -23.702 1.00 39.29  ? 438  ASP A N   1 
ATOM   1886 C CA  . ASP A 1 262 ? -13.469 -32.704 -22.259 1.00 39.89  ? 438  ASP A CA  1 
ATOM   1887 C C   . ASP A 1 262 ? -11.958 -32.861 -22.063 1.00 38.66  ? 438  ASP A C   1 
ATOM   1888 O O   . ASP A 1 262 ? -11.503 -33.840 -21.455 1.00 38.50  ? 438  ASP A O   1 
ATOM   1889 C CB  . ASP A 1 262 ? -14.306 -33.719 -21.442 1.00 40.67  ? 438  ASP A CB  1 
ATOM   1890 C CG  . ASP A 1 262 ? -14.101 -33.606 -19.921 1.00 42.58  ? 438  ASP A CG  1 
ATOM   1891 O OD1 . ASP A 1 262 ? -13.947 -32.488 -19.380 1.00 40.19  ? 438  ASP A OD1 1 
ATOM   1892 O OD2 . ASP A 1 262 ? -14.104 -34.667 -19.257 1.00 43.72  ? 438  ASP A OD2 1 
ATOM   1893 N N   . PRO A 1 263 ? -11.172 -31.904 -22.610 1.00 37.51  ? 439  PRO A N   1 
ATOM   1894 C CA  . PRO A 1 263 ? -9.700  -32.048 -22.542 1.00 38.63  ? 439  PRO A CA  1 
ATOM   1895 C C   . PRO A 1 263 ? -9.136  -31.874 -21.111 1.00 40.29  ? 439  PRO A C   1 
ATOM   1896 O O   . PRO A 1 263 ? -9.602  -31.018 -20.346 1.00 38.24  ? 439  PRO A O   1 
ATOM   1897 C CB  . PRO A 1 263 ? -9.184  -30.937 -23.446 1.00 36.29  ? 439  PRO A CB  1 
ATOM   1898 C CG  . PRO A 1 263 ? -10.276 -29.936 -23.515 1.00 36.67  ? 439  PRO A CG  1 
ATOM   1899 C CD  . PRO A 1 263 ? -11.572 -30.673 -23.320 1.00 36.20  ? 439  PRO A CD  1 
ATOM   1900 N N   . SER A 1 264 ? -8.137  -32.685 -20.782 1.00 41.12  ? 440  SER A N   1 
ATOM   1901 C CA  . SER A 1 264 ? -7.436  -32.553 -19.528 1.00 42.93  ? 440  SER A CA  1 
ATOM   1902 C C   . SER A 1 264 ? -6.628  -31.236 -19.452 1.00 43.98  ? 440  SER A C   1 
ATOM   1903 O O   . SER A 1 264 ? -6.396  -30.555 -20.436 1.00 42.76  ? 440  SER A O   1 
ATOM   1904 C CB  . SER A 1 264 ? -6.572  -33.789 -19.257 1.00 43.23  ? 440  SER A CB  1 
ATOM   1905 O OG  . SER A 1 264 ? -5.222  -33.571 -19.596 1.00 46.25  ? 440  SER A OG  1 
ATOM   1906 N N   . PHE A 1 265 ? -6.254  -30.868 -18.234 1.00 46.61  ? 441  PHE A N   1 
ATOM   1907 C CA  . PHE A 1 265 ? -5.430  -29.694 -17.981 1.00 45.80  ? 441  PHE A CA  1 
ATOM   1908 C C   . PHE A 1 265 ? -4.041  -29.937 -18.608 1.00 49.71  ? 441  PHE A C   1 
ATOM   1909 O O   . PHE A 1 265 ? -3.383  -29.016 -19.113 1.00 47.21  ? 441  PHE A O   1 
ATOM   1910 C CB  . PHE A 1 265 ? -5.332  -29.474 -16.464 1.00 44.29  ? 441  PHE A CB  1 
ATOM   1911 C CG  . PHE A 1 265 ? -4.389  -28.393 -16.067 1.00 41.99  ? 441  PHE A CG  1 
ATOM   1912 C CD1 . PHE A 1 265 ? -3.042  -28.671 -15.868 1.00 42.22  ? 441  PHE A CD1 1 
ATOM   1913 C CD2 . PHE A 1 265 ? -4.846  -27.090 -15.890 1.00 39.90  ? 441  PHE A CD2 1 
ATOM   1914 C CE1 . PHE A 1 265 ? -2.158  -27.666 -15.505 1.00 41.78  ? 441  PHE A CE1 1 
ATOM   1915 C CE2 . PHE A 1 265 ? -3.975  -26.077 -15.508 1.00 39.98  ? 441  PHE A CE2 1 
ATOM   1916 C CZ  . PHE A 1 265 ? -2.627  -26.369 -15.316 1.00 41.61  ? 441  PHE A CZ  1 
ATOM   1917 N N   . GLU A 1 266 ? -3.642  -31.205 -18.601 1.00 53.69  ? 442  GLU A N   1 
ATOM   1918 C CA  . GLU A 1 266 ? -2.351  -31.650 -19.111 1.00 56.65  ? 442  GLU A CA  1 
ATOM   1919 C C   . GLU A 1 266 ? -2.414  -31.727 -20.641 1.00 51.86  ? 442  GLU A C   1 
ATOM   1920 O O   . GLU A 1 266 ? -1.468  -31.330 -21.309 1.00 54.45  ? 442  GLU A O   1 
ATOM   1921 C CB  . GLU A 1 266 ? -1.940  -33.011 -18.489 1.00 62.17  ? 442  GLU A CB  1 
ATOM   1922 C CG  . GLU A 1 266 ? -2.183  -33.169 -16.970 1.00 65.31  ? 442  GLU A CG  1 
ATOM   1923 C CD  . GLU A 1 266 ? -3.606  -33.638 -16.599 1.00 71.45  ? 442  GLU A CD  1 
ATOM   1924 O OE1 . GLU A 1 266 ? -4.153  -34.530 -17.291 1.00 74.18  ? 442  GLU A OE1 1 
ATOM   1925 O OE2 . GLU A 1 266 ? -4.198  -33.120 -15.617 1.00 75.06  ? 442  GLU A OE2 1 
ATOM   1926 N N   . ASP A 1 267 ? -3.530  -32.214 -21.187 1.00 47.06  ? 443  ASP A N   1 
ATOM   1927 C CA  . ASP A 1 267 ? -3.794  -32.229 -22.649 1.00 41.64  ? 443  ASP A CA  1 
ATOM   1928 C C   . ASP A 1 267 ? -3.581  -30.877 -23.330 1.00 39.54  ? 443  ASP A C   1 
ATOM   1929 O O   . ASP A 1 267 ? -3.020  -30.773 -24.454 1.00 38.60  ? 443  ASP A O   1 
ATOM   1930 C CB  . ASP A 1 267 ? -5.254  -32.642 -22.917 1.00 41.92  ? 443  ASP A CB  1 
ATOM   1931 C CG  . ASP A 1 267 ? -5.498  -34.134 -22.717 1.00 42.53  ? 443  ASP A CG  1 
ATOM   1932 O OD1 . ASP A 1 267 ? -4.513  -34.887 -22.648 1.00 42.19  ? 443  ASP A OD1 1 
ATOM   1933 O OD2 . ASP A 1 267 ? -6.678  -34.551 -22.649 1.00 41.95  ? 443  ASP A OD2 1 
ATOM   1934 N N   . MET A 1 268 ? -4.076  -29.859 -22.651 1.00 35.89  ? 444  MET A N   1 
ATOM   1935 C CA  . MET A 1 268 ? -4.111  -28.489 -23.139 1.00 33.68  ? 444  MET A CA  1 
ATOM   1936 C C   . MET A 1 268 ? -2.739  -27.835 -23.047 1.00 33.37  ? 444  MET A C   1 
ATOM   1937 O O   . MET A 1 268 ? -2.301  -27.201 -23.989 1.00 31.37  ? 444  MET A O   1 
ATOM   1938 C CB  . MET A 1 268 ? -5.158  -27.689 -22.345 1.00 32.25  ? 444  MET A CB  1 
ATOM   1939 C CG  . MET A 1 268 ? -6.609  -28.112 -22.617 1.00 31.62  ? 444  MET A CG  1 
ATOM   1940 S SD  . MET A 1 268 ? -7.184  -27.964 -24.344 1.00 32.43  ? 444  MET A SD  1 
ATOM   1941 C CE  . MET A 1 268 ? -6.926  -26.189 -24.579 1.00 32.29  ? 444  MET A CE  1 
ATOM   1942 N N   . ARG A 1 269 ? -2.071  -27.970 -21.906 1.00 35.28  ? 445  ARG A N   1 
ATOM   1943 C CA  . ARG A 1 269 ? -0.694  -27.479 -21.765 1.00 37.32  ? 445  ARG A CA  1 
ATOM   1944 C C   . ARG A 1 269 ? 0.185   -27.903 -22.940 1.00 37.89  ? 445  ARG A C   1 
ATOM   1945 O O   . ARG A 1 269 ? 0.906   -27.081 -23.497 1.00 40.44  ? 445  ARG A O   1 
ATOM   1946 C CB  . ARG A 1 269 ? -0.050  -27.950 -20.455 1.00 38.88  ? 445  ARG A CB  1 
ATOM   1947 C CG  . ARG A 1 269 ? 1.371   -27.421 -20.304 1.00 39.89  ? 445  ARG A CG  1 
ATOM   1948 C CD  . ARG A 1 269 ? 1.798   -27.176 -18.874 1.00 41.52  ? 445  ARG A CD  1 
ATOM   1949 N NE  . ARG A 1 269 ? 2.285   -28.388 -18.252 1.00 43.68  ? 445  ARG A NE  1 
ATOM   1950 C CZ  . ARG A 1 269 ? 2.236   -28.673 -16.947 1.00 46.05  ? 445  ARG A CZ  1 
ATOM   1951 N NH1 . ARG A 1 269 ? 1.682   -27.838 -16.038 1.00 45.55  ? 445  ARG A NH1 1 
ATOM   1952 N NH2 . ARG A 1 269 ? 2.743   -29.840 -16.550 1.00 46.58  ? 445  ARG A NH2 1 
ATOM   1953 N N   . LYS A 1 270 ? 0.095   -29.178 -23.311 1.00 38.09  ? 446  LYS A N   1 
ATOM   1954 C CA  . LYS A 1 270 ? 0.859   -29.754 -24.408 1.00 38.25  ? 446  LYS A CA  1 
ATOM   1955 C C   . LYS A 1 270 ? 0.581   -29.055 -25.750 1.00 36.14  ? 446  LYS A C   1 
ATOM   1956 O O   . LYS A 1 270 ? 1.519   -28.708 -26.477 1.00 33.82  ? 446  LYS A O   1 
ATOM   1957 C CB  . LYS A 1 270 ? 0.563   -31.257 -24.492 1.00 40.37  ? 446  LYS A CB  1 
ATOM   1958 C CG  . LYS A 1 270 ? 1.161   -31.999 -25.682 1.00 43.58  ? 446  LYS A CG  1 
ATOM   1959 C CD  . LYS A 1 270 ? 2.664   -31.860 -25.834 1.00 46.28  ? 446  LYS A CD  1 
ATOM   1960 C CE  . LYS A 1 270 ? 3.109   -32.481 -27.144 1.00 49.05  ? 446  LYS A CE  1 
ATOM   1961 N NZ  . LYS A 1 270 ? 4.477   -32.046 -27.499 1.00 54.45  ? 446  LYS A NZ  1 
ATOM   1962 N N   . VAL A 1 271 ? -0.699  -28.852 -26.068 1.00 33.00  ? 447  VAL A N   1 
ATOM   1963 C CA  . VAL A 1 271 ? -1.097  -28.190 -27.308 1.00 32.49  ? 447  VAL A CA  1 
ATOM   1964 C C   . VAL A 1 271 ? -0.840  -26.664 -27.271 1.00 31.88  ? 447  VAL A C   1 
ATOM   1965 O O   . VAL A 1 271 ? -0.322  -26.091 -28.211 1.00 33.18  ? 447  VAL A O   1 
ATOM   1966 C CB  . VAL A 1 271 ? -2.590  -28.503 -27.652 1.00 32.66  ? 447  VAL A CB  1 
ATOM   1967 C CG1 . VAL A 1 271 ? -3.068  -27.701 -28.855 1.00 31.81  ? 447  VAL A CG1 1 
ATOM   1968 C CG2 . VAL A 1 271 ? -2.792  -30.001 -27.903 1.00 33.11  ? 447  VAL A CG2 1 
ATOM   1969 N N   . VAL A 1 272 ? -1.154  -26.010 -26.166 1.00 31.71  ? 448  VAL A N   1 
ATOM   1970 C CA  . VAL A 1 272 ? -1.088  -24.544 -26.080 1.00 30.51  ? 448  VAL A CA  1 
ATOM   1971 C C   . VAL A 1 272 ? 0.352   -24.085 -25.771 1.00 32.12  ? 448  VAL A C   1 
ATOM   1972 O O   . VAL A 1 272 ? 0.872   -23.178 -26.432 1.00 31.08  ? 448  VAL A O   1 
ATOM   1973 C CB  . VAL A 1 272 ? -2.097  -24.051 -25.024 1.00 30.40  ? 448  VAL A CB  1 
ATOM   1974 C CG1 . VAL A 1 272 ? -1.956  -22.556 -24.742 1.00 30.22  ? 448  VAL A CG1 1 
ATOM   1975 C CG2 . VAL A 1 272 ? -3.525  -24.391 -25.469 1.00 30.21  ? 448  VAL A CG2 1 
ATOM   1976 N N   . CYS A 1 273 ? 0.993   -24.724 -24.781 1.00 32.64  ? 449  CYS A N   1 
ATOM   1977 C CA  . CYS A 1 273 ? 2.306   -24.261 -24.254 1.00 33.57  ? 449  CYS A CA  1 
ATOM   1978 C C   . CYS A 1 273 ? 3.509   -24.925 -24.958 1.00 34.08  ? 449  CYS A C   1 
ATOM   1979 O O   . CYS A 1 273 ? 4.405   -24.231 -25.450 1.00 35.67  ? 449  CYS A O   1 
ATOM   1980 C CB  . CYS A 1 273 ? 2.406   -24.464 -22.720 1.00 33.76  ? 449  CYS A CB  1 
ATOM   1981 S SG  . CYS A 1 273 ? 1.148   -23.606 -21.720 1.00 33.45  ? 449  CYS A SG  1 
ATOM   1982 N N   . VAL A 1 274 ? 3.505   -26.260 -24.999 1.00 33.83  ? 450  VAL A N   1 
ATOM   1983 C CA  . VAL A 1 274 ? 4.610   -27.048 -25.525 1.00 35.81  ? 450  VAL A CA  1 
ATOM   1984 C C   . VAL A 1 274 ? 4.661   -26.933 -27.055 1.00 36.56  ? 450  VAL A C   1 
ATOM   1985 O O   . VAL A 1 274 ? 5.719   -26.648 -27.621 1.00 37.38  ? 450  VAL A O   1 
ATOM   1986 C CB  . VAL A 1 274 ? 4.524   -28.521 -25.040 1.00 36.23  ? 450  VAL A CB  1 
ATOM   1987 C CG1 . VAL A 1 274 ? 5.565   -29.404 -25.696 1.00 38.05  ? 450  VAL A CG1 1 
ATOM   1988 C CG2 . VAL A 1 274 ? 4.715   -28.578 -23.528 1.00 36.85  ? 450  VAL A CG2 1 
ATOM   1989 N N   . ASP A 1 275 ? 3.520   -27.139 -27.709 1.00 36.66  ? 451  ASP A N   1 
ATOM   1990 C CA  . ASP A 1 275 ? 3.436   -27.058 -29.170 1.00 37.54  ? 451  ASP A CA  1 
ATOM   1991 C C   . ASP A 1 275 ? 3.196   -25.652 -29.690 1.00 36.85  ? 451  ASP A C   1 
ATOM   1992 O O   . ASP A 1 275 ? 3.387   -25.412 -30.861 1.00 36.93  ? 451  ASP A O   1 
ATOM   1993 C CB  . ASP A 1 275 ? 2.352   -27.987 -29.681 1.00 38.40  ? 451  ASP A CB  1 
ATOM   1994 C CG  . ASP A 1 275 ? 2.616   -29.434 -29.331 1.00 41.40  ? 451  ASP A CG  1 
ATOM   1995 O OD1 . ASP A 1 275 ? 3.681   -29.740 -28.762 1.00 43.87  ? 451  ASP A OD1 1 
ATOM   1996 O OD2 . ASP A 1 275 ? 1.756   -30.286 -29.619 1.00 44.12  ? 451  ASP A OD2 1 
ATOM   1997 N N   . GLN A 1 276 ? 2.803   -24.725 -28.825 1.00 36.96  ? 452  GLN A N   1 
ATOM   1998 C CA  . GLN A 1 276 ? 2.434   -23.366 -29.227 1.00 38.40  ? 452  GLN A CA  1 
ATOM   1999 C C   . GLN A 1 276 ? 1.429   -23.281 -30.391 1.00 37.94  ? 452  GLN A C   1 
ATOM   2000 O O   . GLN A 1 276 ? 1.472   -22.360 -31.215 1.00 36.36  ? 452  GLN A O   1 
ATOM   2001 C CB  . GLN A 1 276 ? 3.674   -22.541 -29.483 1.00 42.41  ? 452  GLN A CB  1 
ATOM   2002 C CG  . GLN A 1 276 ? 4.654   -22.624 -28.340 1.00 45.71  ? 452  GLN A CG  1 
ATOM   2003 C CD  . GLN A 1 276 ? 5.694   -21.528 -28.369 1.00 53.37  ? 452  GLN A CD  1 
ATOM   2004 O OE1 . GLN A 1 276 ? 6.884   -21.789 -28.606 1.00 60.57  ? 452  GLN A OE1 1 
ATOM   2005 N NE2 . GLN A 1 276 ? 5.262   -20.285 -28.107 1.00 57.38  ? 452  GLN A NE2 1 
ATOM   2006 N N   . GLN A 1 277 ? 0.484   -24.218 -30.402 1.00 39.18  ? 453  GLN A N   1 
ATOM   2007 C CA  . GLN A 1 277 ? -0.563  -24.266 -31.429 1.00 39.49  ? 453  GLN A CA  1 
ATOM   2008 C C   . GLN A 1 277 ? -1.602  -23.202 -31.102 1.00 37.59  ? 453  GLN A C   1 
ATOM   2009 O O   . GLN A 1 277 ? -1.891  -22.948 -29.917 1.00 36.47  ? 453  GLN A O   1 
ATOM   2010 C CB  . GLN A 1 277 ? -1.228  -25.666 -31.518 1.00 42.20  ? 453  GLN A CB  1 
ATOM   2011 C CG  . GLN A 1 277 ? -0.243  -26.798 -31.235 1.00 45.77  ? 453  GLN A CG  1 
ATOM   2012 C CD  . GLN A 1 277 ? -0.485  -28.132 -31.926 1.00 49.18  ? 453  GLN A CD  1 
ATOM   2013 O OE1 . GLN A 1 277 ? -0.577  -29.186 -31.262 1.00 50.39  ? 453  GLN A OE1 1 
ATOM   2014 N NE2 . GLN A 1 277 ? -0.497  -28.118 -33.249 1.00 49.63  ? 453  GLN A NE2 1 
ATOM   2015 N N   . ARG A 1 278 ? -2.148  -22.596 -32.163 1.00 36.58  ? 454  ARG A N   1 
ATOM   2016 C CA  . ARG A 1 278 ? -3.225  -21.611 -32.111 1.00 33.88  ? 454  ARG A CA  1 
ATOM   2017 C C   . ARG A 1 278 ? -4.309  -21.927 -33.148 1.00 34.67  ? 454  ARG A C   1 
ATOM   2018 O O   . ARG A 1 278 ? -4.002  -22.526 -34.200 1.00 33.03  ? 454  ARG A O   1 
ATOM   2019 C CB  . ARG A 1 278 ? -2.682  -20.215 -32.358 1.00 33.05  ? 454  ARG A CB  1 
ATOM   2020 C CG  . ARG A 1 278 ? -1.640  -19.773 -31.359 1.00 34.11  ? 454  ARG A CG  1 
ATOM   2021 C CD  . ARG A 1 278 ? -2.255  -19.563 -29.982 1.00 35.36  ? 454  ARG A CD  1 
ATOM   2022 N NE  . ARG A 1 278 ? -1.287  -18.911 -29.116 1.00 35.85  ? 454  ARG A NE  1 
ATOM   2023 C CZ  . ARG A 1 278 ? -0.408  -19.538 -28.329 1.00 38.12  ? 454  ARG A CZ  1 
ATOM   2024 N NH1 . ARG A 1 278 ? -0.342  -20.878 -28.223 1.00 37.78  ? 454  ARG A NH1 1 
ATOM   2025 N NH2 . ARG A 1 278 ? 0.418   -18.796 -27.609 1.00 39.39  ? 454  ARG A NH2 1 
ATOM   2026 N N   . PRO A 1 279 ? -5.587  -21.533 -32.876 1.00 33.47  ? 455  PRO A N   1 
ATOM   2027 C CA  . PRO A 1 279 ? -6.622  -21.885 -33.866 1.00 33.82  ? 455  PRO A CA  1 
ATOM   2028 C C   . PRO A 1 279 ? -6.273  -21.506 -35.323 1.00 35.45  ? 455  PRO A C   1 
ATOM   2029 O O   . PRO A 1 279 ? -5.866  -20.382 -35.600 1.00 36.20  ? 455  PRO A O   1 
ATOM   2030 C CB  . PRO A 1 279 ? -7.866  -21.133 -33.362 1.00 33.66  ? 455  PRO A CB  1 
ATOM   2031 C CG  . PRO A 1 279 ? -7.668  -21.019 -31.868 1.00 32.20  ? 455  PRO A CG  1 
ATOM   2032 C CD  . PRO A 1 279 ? -6.165  -20.774 -31.751 1.00 32.73  ? 455  PRO A CD  1 
ATOM   2033 N N   . ASN A 1 280 ? -6.397  -22.468 -36.231 1.00 38.28  ? 456  ASN A N   1 
ATOM   2034 C CA  . ASN A 1 280 ? -6.168  -22.223 -37.661 1.00 40.47  ? 456  ASN A CA  1 
ATOM   2035 C C   . ASN A 1 280 ? -7.110  -21.200 -38.264 1.00 38.21  ? 456  ASN A C   1 
ATOM   2036 O O   . ASN A 1 280 ? -8.332  -21.320 -38.138 1.00 37.18  ? 456  ASN A O   1 
ATOM   2037 C CB  . ASN A 1 280 ? -6.312  -23.519 -38.468 1.00 46.16  ? 456  ASN A CB  1 
ATOM   2038 C CG  . ASN A 1 280 ? -5.014  -24.289 -38.571 1.00 52.90  ? 456  ASN A CG  1 
ATOM   2039 O OD1 . ASN A 1 280 ? -4.284  -24.452 -37.584 1.00 58.72  ? 456  ASN A OD1 1 
ATOM   2040 N ND2 . ASN A 1 280 ? -4.704  -24.754 -39.777 1.00 57.61  ? 456  ASN A ND2 1 
ATOM   2041 N N   . ILE A 1 281 ? -6.547  -20.216 -38.950 1.00 37.55  ? 457  ILE A N   1 
ATOM   2042 C CA  . ILE A 1 281 ? -7.348  -19.319 -39.777 1.00 37.87  ? 457  ILE A CA  1 
ATOM   2043 C C   . ILE A 1 281 ? -7.547  -19.986 -41.182 1.00 39.97  ? 457  ILE A C   1 
ATOM   2044 O O   . ILE A 1 281 ? -6.568  -20.292 -41.884 1.00 37.91  ? 457  ILE A O   1 
ATOM   2045 C CB  . ILE A 1 281 ? -6.742  -17.888 -39.888 1.00 37.33  ? 457  ILE A CB  1 
ATOM   2046 C CG1 . ILE A 1 281 ? -6.261  -17.323 -38.515 1.00 37.20  ? 457  ILE A CG1 1 
ATOM   2047 C CG2 . ILE A 1 281 ? -7.741  -16.914 -40.497 1.00 36.90  ? 457  ILE A CG2 1 
ATOM   2048 C CD1 . ILE A 1 281 ? -7.308  -17.113 -37.442 1.00 35.63  ? 457  ILE A CD1 1 
ATOM   2049 N N   . PRO A 1 282 ? -8.817  -20.267 -41.577 1.00 39.02  ? 458  PRO A N   1 
ATOM   2050 C CA  . PRO A 1 282 ? -9.057  -20.706 -42.972 1.00 39.64  ? 458  PRO A CA  1 
ATOM   2051 C C   . PRO A 1 282 ? -8.674  -19.637 -43.979 1.00 38.23  ? 458  PRO A C   1 
ATOM   2052 O O   . PRO A 1 282 ? -8.943  -18.461 -43.764 1.00 38.19  ? 458  PRO A O   1 
ATOM   2053 C CB  . PRO A 1 282 ? -10.570 -20.932 -43.042 1.00 40.46  ? 458  PRO A CB  1 
ATOM   2054 C CG  . PRO A 1 282 ? -11.050 -20.946 -41.615 1.00 39.95  ? 458  PRO A CG  1 
ATOM   2055 C CD  . PRO A 1 282 ? -10.057 -20.177 -40.797 1.00 38.31  ? 458  PRO A CD  1 
ATOM   2056 N N   . ASN A 1 283 ? -8.083  -20.037 -45.088 1.00 38.30  ? 459  ASN A N   1 
ATOM   2057 C CA  . ASN A 1 283 ? -7.702  -19.050 -46.107 1.00 38.76  ? 459  ASN A CA  1 
ATOM   2058 C C   . ASN A 1 283 ? -8.840  -18.237 -46.726 1.00 37.54  ? 459  ASN A C   1 
ATOM   2059 O O   . ASN A 1 283 ? -8.627  -17.064 -47.086 1.00 36.24  ? 459  ASN A O   1 
ATOM   2060 C CB  . ASN A 1 283 ? -6.862  -19.706 -47.190 1.00 40.83  ? 459  ASN A CB  1 
ATOM   2061 C CG  . ASN A 1 283 ? -5.478  -20.019 -46.703 1.00 41.16  ? 459  ASN A CG  1 
ATOM   2062 O OD1 . ASN A 1 283 ? -4.825  -19.157 -46.122 1.00 42.60  ? 459  ASN A OD1 1 
ATOM   2063 N ND2 . ASN A 1 283 ? -5.031  -21.255 -46.895 1.00 41.89  ? 459  ASN A ND2 1 
ATOM   2064 N N   . ARG A 1 284 ? -10.051 -18.814 -46.770 1.00 36.97  ? 460  ARG A N   1 
ATOM   2065 C CA  . ARG A 1 284 ? -11.190 -18.132 -47.411 1.00 36.96  ? 460  ARG A CA  1 
ATOM   2066 C C   . ARG A 1 284 ? -11.492 -16.800 -46.766 1.00 36.49  ? 460  ARG A C   1 
ATOM   2067 O O   . ARG A 1 284 ? -11.999 -15.894 -47.412 1.00 36.67  ? 460  ARG A O   1 
ATOM   2068 C CB  . ARG A 1 284 ? -12.436 -19.023 -47.466 1.00 36.91  ? 460  ARG A CB  1 
ATOM   2069 C CG  . ARG A 1 284 ? -13.113 -19.365 -46.161 1.00 35.71  ? 460  ARG A CG  1 
ATOM   2070 C CD  . ARG A 1 284 ? -14.292 -18.466 -45.806 1.00 35.19  ? 460  ARG A CD  1 
ATOM   2071 N NE  . ARG A 1 284 ? -14.862 -18.790 -44.473 1.00 34.08  ? 460  ARG A NE  1 
ATOM   2072 C CZ  . ARG A 1 284 ? -15.832 -18.090 -43.864 1.00 34.38  ? 460  ARG A CZ  1 
ATOM   2073 N NH1 . ARG A 1 284 ? -16.351 -16.996 -44.421 1.00 35.05  ? 460  ARG A NH1 1 
ATOM   2074 N NH2 . ARG A 1 284 ? -16.304 -18.478 -42.675 1.00 33.77  ? 460  ARG A NH2 1 
ATOM   2075 N N   . TRP A 1 285 ? -11.154 -16.684 -45.485 1.00 35.99  ? 461  TRP A N   1 
ATOM   2076 C CA  . TRP A 1 285 ? -11.295 -15.440 -44.738 1.00 35.96  ? 461  TRP A CA  1 
ATOM   2077 C C   . TRP A 1 285 ? -10.496 -14.293 -45.334 1.00 37.37  ? 461  TRP A C   1 
ATOM   2078 O O   . TRP A 1 285 ? -10.891 -13.149 -45.168 1.00 38.06  ? 461  TRP A O   1 
ATOM   2079 C CB  . TRP A 1 285 ? -10.820 -15.620 -43.292 1.00 34.70  ? 461  TRP A CB  1 
ATOM   2080 C CG  . TRP A 1 285 ? -11.645 -16.508 -42.394 1.00 34.68  ? 461  TRP A CG  1 
ATOM   2081 C CD1 . TRP A 1 285 ? -12.570 -17.437 -42.755 1.00 35.01  ? 461  TRP A CD1 1 
ATOM   2082 C CD2 . TRP A 1 285 ? -11.554 -16.577 -40.957 1.00 34.05  ? 461  TRP A CD2 1 
ATOM   2083 N NE1 . TRP A 1 285 ? -13.093 -18.057 -41.642 1.00 33.89  ? 461  TRP A NE1 1 
ATOM   2084 C CE2 . TRP A 1 285 ? -12.477 -17.551 -40.524 1.00 33.97  ? 461  TRP A CE2 1 
ATOM   2085 C CE3 . TRP A 1 285 ? -10.796 -15.889 -40.003 1.00 33.80  ? 461  TRP A CE3 1 
ATOM   2086 C CZ2 . TRP A 1 285 ? -12.655 -17.865 -39.155 1.00 33.41  ? 461  TRP A CZ2 1 
ATOM   2087 C CZ3 . TRP A 1 285 ? -10.958 -16.203 -38.645 1.00 33.50  ? 461  TRP A CZ3 1 
ATOM   2088 C CH2 . TRP A 1 285 ? -11.880 -17.187 -38.237 1.00 32.61  ? 461  TRP A CH2 1 
ATOM   2089 N N   . PHE A 1 286 ? -9.358  -14.581 -45.982 1.00 38.25  ? 462  PHE A N   1 
ATOM   2090 C CA  . PHE A 1 286 ? -8.537  -13.516 -46.562 1.00 39.69  ? 462  PHE A CA  1 
ATOM   2091 C C   . PHE A 1 286 ? -9.072  -12.950 -47.870 1.00 41.75  ? 462  PHE A C   1 
ATOM   2092 O O   . PHE A 1 286 ? -8.498  -11.987 -48.375 1.00 43.01  ? 462  PHE A O   1 
ATOM   2093 C CB  . PHE A 1 286 ? -7.051  -13.930 -46.711 1.00 39.03  ? 462  PHE A CB  1 
ATOM   2094 C CG  . PHE A 1 286 ? -6.470  -14.421 -45.444 1.00 36.74  ? 462  PHE A CG  1 
ATOM   2095 C CD1 . PHE A 1 286 ? -6.359  -13.551 -44.349 1.00 35.72  ? 462  PHE A CD1 1 
ATOM   2096 C CD2 . PHE A 1 286 ? -6.142  -15.757 -45.295 1.00 35.87  ? 462  PHE A CD2 1 
ATOM   2097 C CE1 . PHE A 1 286 ? -5.873  -13.995 -43.144 1.00 34.08  ? 462  PHE A CE1 1 
ATOM   2098 C CE2 . PHE A 1 286 ? -5.660  -16.219 -44.082 1.00 35.85  ? 462  PHE A CE2 1 
ATOM   2099 C CZ  . PHE A 1 286 ? -5.515  -15.331 -43.010 1.00 34.41  ? 462  PHE A CZ  1 
ATOM   2100 N N   . SER A 1 287 ? -10.152 -13.522 -48.416 1.00 44.81  ? 463  SER A N   1 
ATOM   2101 C CA  . SER A 1 287 ? -10.902 -12.874 -49.531 1.00 47.02  ? 463  SER A CA  1 
ATOM   2102 C C   . SER A 1 287 ? -11.791 -11.748 -48.996 1.00 48.26  ? 463  SER A C   1 
ATOM   2103 O O   . SER A 1 287 ? -12.177 -10.854 -49.769 1.00 51.40  ? 463  SER A O   1 
ATOM   2104 C CB  . SER A 1 287 ? -11.809 -13.877 -50.258 1.00 47.66  ? 463  SER A CB  1 
ATOM   2105 O OG  . SER A 1 287 ? -11.094 -15.023 -50.667 1.00 47.95  ? 463  SER A OG  1 
ATOM   2106 N N   . ASP A 1 288 ? -12.124 -11.809 -47.699 1.00 45.02  ? 464  ASP A N   1 
ATOM   2107 C CA  . ASP A 1 288 ? -13.096 -10.920 -47.070 1.00 45.02  ? 464  ASP A CA  1 
ATOM   2108 C C   . ASP A 1 288 ? -12.418 -9.955  -46.096 1.00 46.89  ? 464  ASP A C   1 
ATOM   2109 O O   . ASP A 1 288 ? -11.695 -10.395 -45.221 1.00 45.98  ? 464  ASP A O   1 
ATOM   2110 C CB  . ASP A 1 288 ? -14.107 -11.765 -46.324 1.00 42.11  ? 464  ASP A CB  1 
ATOM   2111 C CG  . ASP A 1 288 ? -15.271 -10.947 -45.783 1.00 42.25  ? 464  ASP A CG  1 
ATOM   2112 O OD1 . ASP A 1 288 ? -16.253 -10.729 -46.525 1.00 43.08  ? 464  ASP A OD1 1 
ATOM   2113 O OD2 . ASP A 1 288 ? -15.227 -10.542 -44.612 1.00 39.94  ? 464  ASP A OD2 1 
ATOM   2114 N N   . PRO A 1 289 ? -12.667 -8.634  -46.232 1.00 51.48  ? 465  PRO A N   1 
ATOM   2115 C CA  . PRO A 1 289 ? -11.946 -7.621  -45.444 1.00 51.07  ? 465  PRO A CA  1 
ATOM   2116 C C   . PRO A 1 289 ? -12.324 -7.559  -43.965 1.00 48.91  ? 465  PRO A C   1 
ATOM   2117 O O   . PRO A 1 289 ? -11.519 -7.095  -43.147 1.00 45.53  ? 465  PRO A O   1 
ATOM   2118 C CB  . PRO A 1 289 ? -12.341 -6.310  -46.128 1.00 54.57  ? 465  PRO A CB  1 
ATOM   2119 C CG  . PRO A 1 289 ? -13.724 -6.568  -46.626 1.00 55.14  ? 465  PRO A CG  1 
ATOM   2120 C CD  . PRO A 1 289 ? -13.688 -8.002  -47.094 1.00 54.24  ? 465  PRO A CD  1 
ATOM   2121 N N   . THR A 1 290 ? -13.544 -7.987  -43.639 1.00 46.74  ? 466  THR A N   1 
ATOM   2122 C CA  . THR A 1 290 ? -13.945 -8.161  -42.257 1.00 44.12  ? 466  THR A CA  1 
ATOM   2123 C C   . THR A 1 290 ? -13.224 -9.333  -41.584 1.00 42.49  ? 466  THR A C   1 
ATOM   2124 O O   . THR A 1 290 ? -12.550 -9.138  -40.555 1.00 40.55  ? 466  THR A O   1 
ATOM   2125 C CB  . THR A 1 290 ? -15.472 -8.372  -42.130 1.00 43.37  ? 466  THR A CB  1 
ATOM   2126 O OG1 . THR A 1 290 ? -16.140 -7.326  -42.830 1.00 44.58  ? 466  THR A OG1 1 
ATOM   2127 C CG2 . THR A 1 290 ? -15.885 -8.351  -40.703 1.00 41.16  ? 466  THR A CG2 1 
ATOM   2128 N N   . LEU A 1 291 ? -13.387 -10.540 -42.137 1.00 39.94  ? 467  LEU A N   1 
ATOM   2129 C CA  . LEU A 1 291 ? -12.733 -11.717 -41.563 1.00 38.52  ? 467  LEU A CA  1 
ATOM   2130 C C   . LEU A 1 291 ? -11.192 -11.611 -41.565 1.00 39.17  ? 467  LEU A C   1 
ATOM   2131 O O   . LEU A 1 291 ? -10.522 -12.214 -40.720 1.00 39.12  ? 467  LEU A O   1 
ATOM   2132 C CB  . LEU A 1 291 ? -13.197 -12.994 -42.256 1.00 38.90  ? 467  LEU A CB  1 
ATOM   2133 C CG  . LEU A 1 291 ? -14.625 -13.462 -41.966 1.00 38.84  ? 467  LEU A CG  1 
ATOM   2134 C CD1 . LEU A 1 291 ? -15.104 -14.505 -42.976 1.00 40.63  ? 467  LEU A CD1 1 
ATOM   2135 C CD2 . LEU A 1 291 ? -14.690 -14.050 -40.576 1.00 37.32  ? 467  LEU A CD2 1 
ATOM   2136 N N   . THR A 1 292 ? -10.633 -10.848 -42.501 1.00 41.31  ? 468  THR A N   1 
ATOM   2137 C CA  . THR A 1 292 ? -9.194  -10.560 -42.490 1.00 42.67  ? 468  THR A CA  1 
ATOM   2138 C C   . THR A 1 292 ? -8.815  -9.716  -41.249 1.00 43.40  ? 468  THR A C   1 
ATOM   2139 O O   . THR A 1 292 ? -7.838  -10.033 -40.556 1.00 42.64  ? 468  THR A O   1 
ATOM   2140 C CB  . THR A 1 292 ? -8.754  -9.821  -43.775 1.00 43.25  ? 468  THR A CB  1 
ATOM   2141 O OG1 . THR A 1 292 ? -9.111  -10.600 -44.927 1.00 41.65  ? 468  THR A OG1 1 
ATOM   2142 C CG2 . THR A 1 292 ? -7.242  -9.574  -43.751 1.00 43.75  ? 468  THR A CG2 1 
ATOM   2143 N N   . SER A 1 293 ? -9.590  -8.653  -41.005 1.00 41.58  ? 469  SER A N   1 
ATOM   2144 C CA  . SER A 1 293 ? -9.410  -7.785  -39.850 1.00 43.18  ? 469  SER A CA  1 
ATOM   2145 C C   . SER A 1 293 ? -9.664  -8.478  -38.501 1.00 41.29  ? 469  SER A C   1 
ATOM   2146 O O   . SER A 1 293 ? -8.997  -8.153  -37.521 1.00 45.62  ? 469  SER A O   1 
ATOM   2147 C CB  . SER A 1 293 ? -10.294 -6.540  -39.959 1.00 43.22  ? 469  SER A CB  1 
ATOM   2148 O OG  . SER A 1 293 ? -9.745  -5.623  -40.878 1.00 43.05  ? 469  SER A OG  1 
ATOM   2149 N N   . LEU A 1 294 ? -10.608 -9.414  -38.446 1.00 39.04  ? 470  LEU A N   1 
ATOM   2150 C CA  . LEU A 1 294 ? -10.837 -10.211 -37.228 1.00 37.74  ? 470  LEU A CA  1 
ATOM   2151 C C   . LEU A 1 294 ? -9.779  -11.279 -37.016 1.00 36.50  ? 470  LEU A C   1 
ATOM   2152 O O   . LEU A 1 294 ? -9.509  -11.652 -35.878 1.00 37.82  ? 470  LEU A O   1 
ATOM   2153 C CB  . LEU A 1 294 ? -12.218 -10.912 -37.237 1.00 37.20  ? 470  LEU A CB  1 
ATOM   2154 C CG  . LEU A 1 294 ? -13.478 -10.045 -37.225 1.00 37.25  ? 470  LEU A CG  1 
ATOM   2155 C CD1 . LEU A 1 294 ? -14.696 -10.879 -37.622 1.00 39.23  ? 470  LEU A CD1 1 
ATOM   2156 C CD2 . LEU A 1 294 ? -13.699 -9.407  -35.856 1.00 36.17  ? 470  LEU A CD2 1 
ATOM   2157 N N   . ALA A 1 295 ? -9.216  -11.813 -38.087 1.00 37.34  ? 471  ALA A N   1 
ATOM   2158 C CA  . ALA A 1 295 ? -8.128  -12.780 -37.966 1.00 36.97  ? 471  ALA A CA  1 
ATOM   2159 C C   . ALA A 1 295 ? -6.898  -12.130 -37.305 1.00 37.18  ? 471  ALA A C   1 
ATOM   2160 O O   . ALA A 1 295 ? -6.334  -12.692 -36.382 1.00 34.80  ? 471  ALA A O   1 
ATOM   2161 C CB  . ALA A 1 295 ? -7.775  -13.357 -39.324 1.00 38.46  ? 471  ALA A CB  1 
ATOM   2162 N N   . LYS A 1 296 ? -6.516  -10.939 -37.767 1.00 38.35  ? 472  LYS A N   1 
ATOM   2163 C CA  . LYS A 1 296 ? -5.470  -10.141 -37.124 1.00 39.64  ? 472  LYS A CA  1 
ATOM   2164 C C   . LYS A 1 296 ? -5.744  -9.938  -35.653 1.00 38.19  ? 472  LYS A C   1 
ATOM   2165 O O   . LYS A 1 296 ? -4.861  -10.090 -34.820 1.00 36.24  ? 472  LYS A O   1 
ATOM   2166 C CB  . LYS A 1 296 ? -5.368  -8.751  -37.763 1.00 44.06  ? 472  LYS A CB  1 
ATOM   2167 C CG  . LYS A 1 296 ? -4.276  -7.874  -37.140 1.00 47.40  ? 472  LYS A CG  1 
ATOM   2168 C CD  . LYS A 1 296 ? -3.938  -6.645  -37.979 1.00 52.80  ? 472  LYS A CD  1 
ATOM   2169 C CE  . LYS A 1 296 ? -2.540  -6.124  -37.679 1.00 55.19  ? 472  LYS A CE  1 
ATOM   2170 N NZ  . LYS A 1 296 ? -2.238  -4.871  -38.429 1.00 60.58  ? 472  LYS A NZ  1 
ATOM   2171 N N   . LEU A 1 297 ? -6.986  -9.568  -35.370 1.00 39.00  ? 473  LEU A N   1 
ATOM   2172 C CA  . LEU A 1 297 ? -7.469  -9.254  -34.014 1.00 38.19  ? 473  LEU A CA  1 
ATOM   2173 C C   . LEU A 1 297 ? -7.364  -10.425 -33.041 1.00 36.63  ? 473  LEU A C   1 
ATOM   2174 O O   . LEU A 1 297 ? -6.836  -10.281 -31.911 1.00 39.64  ? 473  LEU A O   1 
ATOM   2175 C CB  . LEU A 1 297 ? -8.932  -8.788  -34.112 1.00 38.44  ? 473  LEU A CB  1 
ATOM   2176 C CG  . LEU A 1 297 ? -9.480  -7.823  -33.068 1.00 40.93  ? 473  LEU A CG  1 
ATOM   2177 C CD1 . LEU A 1 297 ? -8.732  -6.499  -33.051 1.00 42.47  ? 473  LEU A CD1 1 
ATOM   2178 C CD2 . LEU A 1 297 ? -10.955 -7.580  -33.359 1.00 43.52  ? 473  LEU A CD2 1 
ATOM   2179 N N   . MET A 1 298 ? -7.869  -11.580 -33.464 1.00 34.66  ? 474  MET A N   1 
ATOM   2180 C CA  . MET A 1 298 ? -7.834  -12.772 -32.619 1.00 33.65  ? 474  MET A CA  1 
ATOM   2181 C C   . MET A 1 298 ? -6.428  -13.287 -32.380 1.00 33.11  ? 474  MET A C   1 
ATOM   2182 O O   . MET A 1 298 ? -6.141  -13.838 -31.321 1.00 31.71  ? 474  MET A O   1 
ATOM   2183 C CB  . MET A 1 298 ? -8.735  -13.875 -33.133 1.00 33.35  ? 474  MET A CB  1 
ATOM   2184 C CG  . MET A 1 298 ? -8.350  -14.481 -34.452 1.00 35.06  ? 474  MET A CG  1 
ATOM   2185 S SD  . MET A 1 298 ? -9.607  -15.548 -35.156 1.00 33.98  ? 474  MET A SD  1 
ATOM   2186 C CE  . MET A 1 298 ? -10.989 -14.437 -35.435 1.00 35.10  ? 474  MET A CE  1 
ATOM   2187 N N   . LYS A 1 299 ? -5.548  -13.067 -33.346 1.00 33.38  ? 475  LYS A N   1 
ATOM   2188 C CA  . LYS A 1 299 ? -4.120  -13.372 -33.186 1.00 33.23  ? 475  LYS A CA  1 
ATOM   2189 C C   . LYS A 1 299 ? -3.399  -12.482 -32.159 1.00 32.23  ? 475  LYS A C   1 
ATOM   2190 O O   . LYS A 1 299 ? -2.474  -12.935 -31.497 1.00 31.20  ? 475  LYS A O   1 
ATOM   2191 C CB  . LYS A 1 299 ? -3.403  -13.309 -34.563 1.00 34.90  ? 475  LYS A CB  1 
ATOM   2192 C CG  . LYS A 1 299 ? -3.737  -14.506 -35.458 1.00 36.65  ? 475  LYS A CG  1 
ATOM   2193 C CD  . LYS A 1 299 ? -2.713  -14.697 -36.580 1.00 40.17  ? 475  LYS A CD  1 
ATOM   2194 C CE  . LYS A 1 299 ? -2.944  -16.023 -37.294 1.00 41.62  ? 475  LYS A CE  1 
ATOM   2195 N NZ  . LYS A 1 299 ? -2.249  -16.066 -38.625 1.00 44.14  ? 475  LYS A NZ  1 
ATOM   2196 N N   . GLU A 1 300 ? -3.797  -11.220 -32.053 1.00 31.64  ? 476  GLU A N   1 
ATOM   2197 C CA  . GLU A 1 300 ? -3.263  -10.353 -31.045 1.00 32.25  ? 476  GLU A CA  1 
ATOM   2198 C C   . GLU A 1 300 ? -3.918  -10.559 -29.655 1.00 32.55  ? 476  GLU A C   1 
ATOM   2199 O O   . GLU A 1 300 ? -3.592  -9.837  -28.735 1.00 32.98  ? 476  GLU A O   1 
ATOM   2200 C CB  . GLU A 1 300 ? -3.438  -8.918  -31.460 1.00 34.30  ? 476  GLU A CB  1 
ATOM   2201 C CG  . GLU A 1 300 ? -2.623  -8.513  -32.669 1.00 37.57  ? 476  GLU A CG  1 
ATOM   2202 C CD  . GLU A 1 300 ? -3.072  -7.158  -33.147 1.00 41.03  ? 476  GLU A CD  1 
ATOM   2203 O OE1 . GLU A 1 300 ? -4.252  -7.044  -33.567 1.00 44.46  ? 476  GLU A OE1 1 
ATOM   2204 O OE2 . GLU A 1 300 ? -2.288  -6.205  -33.046 1.00 43.00  ? 476  GLU A OE2 1 
ATOM   2205 N N   . CYS A 1 301 ? -4.879  -11.478 -29.556 1.00 31.55  ? 477  CYS A N   1 
ATOM   2206 C CA  . CYS A 1 301 ? -5.364  -12.031 -28.298 1.00 32.02  ? 477  CYS A CA  1 
ATOM   2207 C C   . CYS A 1 301 ? -4.589  -13.283 -27.853 1.00 32.73  ? 477  CYS A C   1 
ATOM   2208 O O   . CYS A 1 301 ? -4.797  -13.738 -26.723 1.00 33.35  ? 477  CYS A O   1 
ATOM   2209 C CB  . CYS A 1 301 ? -6.840  -12.421 -28.413 1.00 30.09  ? 477  CYS A CB  1 
ATOM   2210 S SG  . CYS A 1 301 ? -7.937  -11.037 -28.670 1.00 32.48  ? 477  CYS A SG  1 
ATOM   2211 N N   . TRP A 1 302 ? -3.715  -13.841 -28.707 1.00 31.95  ? 478  TRP A N   1 
ATOM   2212 C CA  . TRP A 1 302 ? -3.110  -15.155 -28.428 1.00 31.59  ? 478  TRP A CA  1 
ATOM   2213 C C   . TRP A 1 302 ? -1.587  -15.116 -28.219 1.00 33.21  ? 478  TRP A C   1 
ATOM   2214 O O   . TRP A 1 302 ? -0.910  -16.159 -28.312 1.00 32.40  ? 478  TRP A O   1 
ATOM   2215 C CB  . TRP A 1 302 ? -3.415  -16.146 -29.555 1.00 32.03  ? 478  TRP A CB  1 
ATOM   2216 C CG  . TRP A 1 302 ? -4.888  -16.452 -29.817 1.00 30.90  ? 478  TRP A CG  1 
ATOM   2217 C CD1 . TRP A 1 302 ? -5.869  -16.483 -28.916 1.00 31.05  ? 478  TRP A CD1 1 
ATOM   2218 C CD2 . TRP A 1 302 ? -5.463  -16.844 -31.072 1.00 30.07  ? 478  TRP A CD2 1 
ATOM   2219 N NE1 . TRP A 1 302 ? -7.065  -16.829 -29.515 1.00 31.78  ? 478  TRP A NE1 1 
ATOM   2220 C CE2 . TRP A 1 302 ? -6.834  -17.061 -30.849 1.00 30.30  ? 478  TRP A CE2 1 
ATOM   2221 C CE3 . TRP A 1 302 ? -4.947  -17.009 -32.373 1.00 30.17  ? 478  TRP A CE3 1 
ATOM   2222 C CZ2 . TRP A 1 302 ? -7.727  -17.422 -31.877 1.00 28.90  ? 478  TRP A CZ2 1 
ATOM   2223 C CZ3 . TRP A 1 302 ? -5.832  -17.390 -33.400 1.00 29.86  ? 478  TRP A CZ3 1 
ATOM   2224 C CH2 . TRP A 1 302 ? -7.214  -17.603 -33.127 1.00 30.23  ? 478  TRP A CH2 1 
ATOM   2225 N N   . TYR A 1 303 ? -1.046  -13.935 -27.951 1.00 33.97  ? 479  TYR A N   1 
ATOM   2226 C CA  . TYR A 1 303 ? 0.335   -13.851 -27.533 1.00 37.05  ? 479  TYR A CA  1 
ATOM   2227 C C   . TYR A 1 303 ? 0.578   -14.756 -26.314 1.00 39.24  ? 479  TYR A C   1 
ATOM   2228 O O   . TYR A 1 303 ? -0.161  -14.701 -25.310 1.00 37.87  ? 479  TYR A O   1 
ATOM   2229 C CB  . TYR A 1 303 ? 0.751   -12.393 -27.287 1.00 38.05  ? 479  TYR A CB  1 
ATOM   2230 C CG  . TYR A 1 303 ? 0.809   -11.581 -28.584 1.00 39.68  ? 479  TYR A CG  1 
ATOM   2231 C CD1 . TYR A 1 303 ? 1.652   -11.962 -29.640 1.00 41.89  ? 479  TYR A CD1 1 
ATOM   2232 C CD2 . TYR A 1 303 ? 0.026   -10.454 -28.755 1.00 40.21  ? 479  TYR A CD2 1 
ATOM   2233 C CE1 . TYR A 1 303 ? 1.699   -11.239 -30.836 1.00 43.72  ? 479  TYR A CE1 1 
ATOM   2234 C CE2 . TYR A 1 303 ? 0.076   -9.715  -29.920 1.00 43.30  ? 479  TYR A CE2 1 
ATOM   2235 C CZ  . TYR A 1 303 ? 0.909   -10.111 -30.966 1.00 43.95  ? 479  TYR A CZ  1 
ATOM   2236 O OH  . TYR A 1 303 ? 0.926   -9.376  -32.122 1.00 45.49  ? 479  TYR A OH  1 
ATOM   2237 N N   . GLN A 1 304 ? 1.564   -15.647 -26.454 1.00 40.92  ? 480  GLN A N   1 
ATOM   2238 C CA  . GLN A 1 304 ? 2.083   -16.466 -25.350 1.00 43.27  ? 480  GLN A CA  1 
ATOM   2239 C C   . GLN A 1 304 ? 2.439   -15.542 -24.202 1.00 41.96  ? 480  GLN A C   1 
ATOM   2240 O O   . GLN A 1 304 ? 2.209   -15.867 -23.033 1.00 42.78  ? 480  GLN A O   1 
ATOM   2241 C CB  . GLN A 1 304 ? 3.340   -17.254 -25.783 1.00 46.86  ? 480  GLN A CB  1 
ATOM   2242 C CG  . GLN A 1 304 ? 3.766   -18.373 -24.821 1.00 50.44  ? 480  GLN A CG  1 
ATOM   2243 C CD  . GLN A 1 304 ? 3.152   -19.755 -25.121 1.00 54.66  ? 480  GLN A CD  1 
ATOM   2244 O OE1 . GLN A 1 304 ? 2.211   -19.927 -25.946 1.00 49.96  ? 480  GLN A OE1 1 
ATOM   2245 N NE2 . GLN A 1 304 ? 3.694   -20.765 -24.434 1.00 54.74  ? 480  GLN A NE2 1 
ATOM   2246 N N   . ASN A 1 305 ? 3.002   -14.392 -24.549 1.00 41.35  ? 481  ASN A N   1 
ATOM   2247 C CA  . ASN A 1 305 ? 3.290   -13.364 -23.572 1.00 42.03  ? 481  ASN A CA  1 
ATOM   2248 C C   . ASN A 1 305 ? 2.005   -12.605 -23.282 1.00 40.88  ? 481  ASN A C   1 
ATOM   2249 O O   . ASN A 1 305 ? 1.505   -11.892 -24.174 1.00 39.90  ? 481  ASN A O   1 
ATOM   2250 C CB  . ASN A 1 305 ? 4.331   -12.388 -24.080 1.00 43.31  ? 481  ASN A CB  1 
ATOM   2251 C CG  . ASN A 1 305 ? 4.566   -11.251 -23.113 1.00 45.85  ? 481  ASN A CG  1 
ATOM   2252 O OD1 . ASN A 1 305 ? 4.336   -11.381 -21.899 1.00 45.63  ? 481  ASN A OD1 1 
ATOM   2253 N ND2 . ASN A 1 305 ? 5.022   -10.119 -23.638 1.00 48.58  ? 481  ASN A ND2 1 
ATOM   2254 N N   . PRO A 1 306 ? 1.476   -12.737 -22.048 1.00 39.08  ? 482  PRO A N   1 
ATOM   2255 C CA  . PRO A 1 306 ? 0.252   -12.026 -21.680 1.00 37.82  ? 482  PRO A CA  1 
ATOM   2256 C C   . PRO A 1 306 ? 0.320   -10.521 -21.900 1.00 37.84  ? 482  PRO A C   1 
ATOM   2257 O O   . PRO A 1 306 ? -0.674  -9.923  -22.315 1.00 36.25  ? 482  PRO A O   1 
ATOM   2258 C CB  . PRO A 1 306 ? 0.112   -12.325 -20.183 1.00 38.69  ? 482  PRO A CB  1 
ATOM   2259 C CG  . PRO A 1 306 ? 0.857   -13.596 -19.980 1.00 39.04  ? 482  PRO A CG  1 
ATOM   2260 C CD  . PRO A 1 306 ? 2.027   -13.466 -20.885 1.00 40.22  ? 482  PRO A CD  1 
ATOM   2261 N N   . SER A 1 307 ? 1.475   -9.908  -21.658 1.00 38.53  ? 483  SER A N   1 
ATOM   2262 C CA  . SER A 1 307 ? 1.522   -8.452  -21.712 1.00 40.20  ? 483  SER A CA  1 
ATOM   2263 C C   . SER A 1 307 ? 1.394   -7.890  -23.140 1.00 39.89  ? 483  SER A C   1 
ATOM   2264 O O   . SER A 1 307 ? 1.081   -6.700  -23.316 1.00 40.61  ? 483  SER A O   1 
ATOM   2265 C CB  . SER A 1 307 ? 2.763   -7.912  -21.039 1.00 42.86  ? 483  SER A CB  1 
ATOM   2266 O OG  . SER A 1 307 ? 2.489   -6.603  -20.588 1.00 45.63  ? 483  SER A OG  1 
ATOM   2267 N N   . ALA A 1 308 ? 1.627   -8.741  -24.145 1.00 37.80  ? 484  ALA A N   1 
ATOM   2268 C CA  . ALA A 1 308 ? 1.500   -8.336  -25.536 1.00 38.07  ? 484  ALA A CA  1 
ATOM   2269 C C   . ALA A 1 308 ? 0.031   -8.373  -26.025 1.00 36.61  ? 484  ALA A C   1 
ATOM   2270 O O   . ALA A 1 308 ? -0.293  -7.797  -27.046 1.00 35.92  ? 484  ALA A O   1 
ATOM   2271 C CB  . ALA A 1 308 ? 2.403   -9.197  -26.421 1.00 39.08  ? 484  ALA A CB  1 
ATOM   2272 N N   . ARG A 1 309 ? -0.865  -8.999  -25.273 1.00 35.49  ? 485  ARG A N   1 
ATOM   2273 C CA  . ARG A 1 309 ? -2.284  -9.041  -25.686 1.00 34.09  ? 485  ARG A CA  1 
ATOM   2274 C C   . ARG A 1 309 ? -2.967  -7.694  -25.632 1.00 34.34  ? 485  ARG A C   1 
ATOM   2275 O O   . ARG A 1 309 ? -2.666  -6.862  -24.769 1.00 35.23  ? 485  ARG A O   1 
ATOM   2276 C CB  . ARG A 1 309 ? -3.051  -10.027 -24.849 1.00 31.93  ? 485  ARG A CB  1 
ATOM   2277 C CG  . ARG A 1 309 ? -2.592  -11.426 -25.137 1.00 31.94  ? 485  ARG A CG  1 
ATOM   2278 C CD  . ARG A 1 309 ? -3.115  -12.363 -24.129 1.00 31.03  ? 485  ARG A CD  1 
ATOM   2279 N NE  . ARG A 1 309 ? -2.378  -13.613 -24.098 1.00 31.42  ? 485  ARG A NE  1 
ATOM   2280 C CZ  . ARG A 1 309 ? -2.269  -14.361 -23.006 1.00 32.44  ? 485  ARG A CZ  1 
ATOM   2281 N NH1 . ARG A 1 309 ? -2.839  -13.941 -21.887 1.00 32.87  ? 485  ARG A NH1 1 
ATOM   2282 N NH2 . ARG A 1 309 ? -1.606  -15.522 -23.016 1.00 32.53  ? 485  ARG A NH2 1 
ATOM   2283 N N   . LEU A 1 310 ? -3.890  -7.491  -26.563 1.00 33.06  ? 486  LEU A N   1 
ATOM   2284 C CA  . LEU A 1 310 ? -4.689  -6.262  -26.580 1.00 34.67  ? 486  LEU A CA  1 
ATOM   2285 C C   . LEU A 1 310 ? -5.581  -6.231  -25.340 1.00 33.46  ? 486  LEU A C   1 
ATOM   2286 O O   . LEU A 1 310 ? -5.926  -7.283  -24.842 1.00 32.20  ? 486  LEU A O   1 
ATOM   2287 C CB  . LEU A 1 310 ? -5.600  -6.215  -27.798 1.00 34.12  ? 486  LEU A CB  1 
ATOM   2288 C CG  . LEU A 1 310 ? -4.930  -6.281  -29.160 1.00 35.11  ? 486  LEU A CG  1 
ATOM   2289 C CD1 . LEU A 1 310 ? -5.984  -6.635  -30.191 1.00 34.33  ? 486  LEU A CD1 1 
ATOM   2290 C CD2 . LEU A 1 310 ? -4.237  -4.967  -29.489 1.00 36.92  ? 486  LEU A CD2 1 
ATOM   2291 N N   . THR A 1 311 ? -5.941  -5.028  -24.891 1.00 33.34  ? 487  THR A N   1 
ATOM   2292 C CA  . THR A 1 311 ? -6.929  -4.814  -23.850 1.00 33.37  ? 487  THR A CA  1 
ATOM   2293 C C   . THR A 1 311 ? -8.338  -4.820  -24.427 1.00 33.96  ? 487  THR A C   1 
ATOM   2294 O O   . THR A 1 311 ? -8.527  -4.550  -25.627 1.00 33.26  ? 487  THR A O   1 
ATOM   2295 C CB  . THR A 1 311 ? -6.751  -3.442  -23.213 1.00 34.77  ? 487  THR A CB  1 
ATOM   2296 O OG1 . THR A 1 311 ? -6.866  -2.432  -24.218 1.00 34.67  ? 487  THR A OG1 1 
ATOM   2297 C CG2 . THR A 1 311 ? -5.394  -3.334  -22.539 1.00 36.00  ? 487  THR A CG2 1 
ATOM   2298 N N   . ALA A 1 312 ? -9.326  -5.118  -23.570 1.00 33.48  ? 488  ALA A N   1 
ATOM   2299 C CA  . ALA A 1 312 ? -10.734 -5.161  -23.970 1.00 34.14  ? 488  ALA A CA  1 
ATOM   2300 C C   . ALA A 1 312 ? -11.156 -3.892  -24.658 1.00 36.63  ? 488  ALA A C   1 
ATOM   2301 O O   . ALA A 1 312 ? -11.708 -3.946  -25.741 1.00 41.35  ? 488  ALA A O   1 
ATOM   2302 C CB  . ALA A 1 312 ? -11.643 -5.424  -22.767 1.00 33.70  ? 488  ALA A CB  1 
ATOM   2303 N N   . LEU A 1 313 ? -10.881 -2.757  -24.024 1.00 40.69  ? 489  LEU A N   1 
ATOM   2304 C CA  . LEU A 1 313 ? -11.156 -1.422  -24.587 1.00 43.81  ? 489  LEU A CA  1 
ATOM   2305 C C   . LEU A 1 313 ? -10.551 -1.195  -25.982 1.00 45.77  ? 489  LEU A C   1 
ATOM   2306 O O   . LEU A 1 313 ? -11.193 -0.602  -26.851 1.00 48.07  ? 489  LEU A O   1 
ATOM   2307 C CB  . LEU A 1 313 ? -10.631 -0.318  -23.652 1.00 47.55  ? 489  LEU A CB  1 
ATOM   2308 C CG  . LEU A 1 313 ? -11.592 0.847   -23.371 1.00 51.18  ? 489  LEU A CG  1 
ATOM   2309 C CD1 . LEU A 1 313 ? -10.886 1.904   -22.522 1.00 52.93  ? 489  LEU A CD1 1 
ATOM   2310 C CD2 . LEU A 1 313 ? -12.168 1.450   -24.647 1.00 52.39  ? 489  LEU A CD2 1 
ATOM   2311 N N   . ARG A 1 314 ? -9.304  -1.630  -26.189 1.00 44.28  ? 490  ARG A N   1 
ATOM   2312 C CA  . ARG A 1 314 ? -8.656  -1.441  -27.491 1.00 42.90  ? 490  ARG A CA  1 
ATOM   2313 C C   . ARG A 1 314 ? -9.376  -2.257  -28.554 1.00 39.71  ? 490  ARG A C   1 
ATOM   2314 O O   . ARG A 1 314 ? -9.665  -1.765  -29.645 1.00 41.14  ? 490  ARG A O   1 
ATOM   2315 C CB  . ARG A 1 314 ? -7.180  -1.861  -27.437 1.00 43.73  ? 490  ARG A CB  1 
ATOM   2316 C CG  . ARG A 1 314 ? -6.362  -1.438  -28.657 1.00 45.32  ? 490  ARG A CG  1 
ATOM   2317 C CD  . ARG A 1 314 ? -5.950  0.035   -28.572 1.00 48.77  ? 490  ARG A CD  1 
ATOM   2318 N NE  . ARG A 1 314 ? -6.758  0.937   -29.395 1.00 50.73  ? 490  ARG A NE  1 
ATOM   2319 C CZ  . ARG A 1 314 ? -6.697  2.273   -29.357 1.00 54.05  ? 490  ARG A CZ  1 
ATOM   2320 N NH1 . ARG A 1 314 ? -7.477  3.000   -30.170 1.00 55.93  ? 490  ARG A NH1 1 
ATOM   2321 N NH2 . ARG A 1 314 ? -5.869  2.898   -28.516 1.00 54.73  ? 490  ARG A NH2 1 
ATOM   2322 N N   . ILE A 1 315 ? -9.602  -3.521  -28.228 1.00 37.25  ? 491  ILE A N   1 
ATOM   2323 C CA  . ILE A 1 315 ? -10.391 -4.453  -29.040 1.00 36.99  ? 491  ILE A CA  1 
ATOM   2324 C C   . ILE A 1 315 ? -11.768 -3.915  -29.365 1.00 37.73  ? 491  ILE A C   1 
ATOM   2325 O O   . ILE A 1 315 ? -12.221 -4.023  -30.498 1.00 36.53  ? 491  ILE A O   1 
ATOM   2326 C CB  . ILE A 1 315 ? -10.571 -5.806  -28.317 1.00 35.11  ? 491  ILE A CB  1 
ATOM   2327 C CG1 . ILE A 1 315 ? -9.204  -6.526  -28.252 1.00 34.90  ? 491  ILE A CG1 1 
ATOM   2328 C CG2 . ILE A 1 315 ? -11.651 -6.651  -28.989 1.00 33.22  ? 491  ILE A CG2 1 
ATOM   2329 C CD1 . ILE A 1 315 ? -9.250  -7.919  -27.672 1.00 34.08  ? 491  ILE A CD1 1 
ATOM   2330 N N   . LYS A 1 316 ? -12.431 -3.353  -28.361 1.00 40.30  ? 492  LYS A N   1 
ATOM   2331 C CA  . LYS A 1 316 ? -13.679 -2.634  -28.577 1.00 42.05  ? 492  LYS A CA  1 
ATOM   2332 C C   . LYS A 1 316 ? -13.518 -1.486  -29.588 1.00 45.01  ? 492  LYS A C   1 
ATOM   2333 O O   . LYS A 1 316 ? -14.320 -1.365  -30.531 1.00 43.64  ? 492  LYS A O   1 
ATOM   2334 C CB  . LYS A 1 316 ? -14.226 -2.077  -27.261 1.00 43.26  ? 492  LYS A CB  1 
ATOM   2335 C CG  . LYS A 1 316 ? -15.623 -1.458  -27.376 1.00 45.00  ? 492  LYS A CG  1 
ATOM   2336 C CD  . LYS A 1 316 ? -16.087 -0.871  -26.062 1.00 45.55  ? 492  LYS A CD  1 
ATOM   2337 C CE  . LYS A 1 316 ? -17.408 -0.153  -26.238 1.00 47.61  ? 492  LYS A CE  1 
ATOM   2338 N NZ  . LYS A 1 316 ? -17.952 0.341   -24.944 1.00 49.30  ? 492  LYS A NZ  1 
ATOM   2339 N N   . LYS A 1 317 ? -12.523 -0.626  -29.379 1.00 46.97  ? 493  LYS A N   1 
ATOM   2340 C CA  . LYS A 1 317 ? -12.285 0.490   -30.307 1.00 51.20  ? 493  LYS A CA  1 
ATOM   2341 C C   . LYS A 1 317 ? -12.068 0.001   -31.748 1.00 50.98  ? 493  LYS A C   1 
ATOM   2342 O O   . LYS A 1 317 ? -12.590 0.602   -32.696 1.00 51.57  ? 493  LYS A O   1 
ATOM   2343 C CB  . LYS A 1 317 ? -11.100 1.345   -29.858 1.00 53.93  ? 493  LYS A CB  1 
ATOM   2344 C CG  . LYS A 1 317 ? -11.414 2.211   -28.653 1.00 56.48  ? 493  LYS A CG  1 
ATOM   2345 C CD  . LYS A 1 317 ? -10.149 2.748   -28.010 1.00 58.30  ? 493  LYS A CD  1 
ATOM   2346 C CE  . LYS A 1 317 ? -10.473 3.815   -26.980 1.00 60.08  ? 493  LYS A CE  1 
ATOM   2347 N NZ  . LYS A 1 317 ? -9.255  4.186   -26.220 1.00 61.37  ? 493  LYS A NZ  1 
ATOM   2348 N N   . THR A 1 318 ? -11.327 -1.098  -31.882 1.00 48.66  ? 494  THR A N   1 
ATOM   2349 C CA  . THR A 1 318 ? -11.010 -1.701  -33.180 1.00 49.97  ? 494  THR A CA  1 
ATOM   2350 C C   . THR A 1 318 ? -12.253 -2.275  -33.879 1.00 49.16  ? 494  THR A C   1 
ATOM   2351 O O   . THR A 1 318 ? -12.515 -1.989  -35.058 1.00 48.91  ? 494  THR A O   1 
ATOM   2352 C CB  . THR A 1 318 ? -9.935  -2.812  -33.025 1.00 51.34  ? 494  THR A CB  1 
ATOM   2353 O OG1 . THR A 1 318 ? -8.748  -2.269  -32.412 1.00 51.84  ? 494  THR A OG1 1 
ATOM   2354 C CG2 . THR A 1 318 ? -9.571  -3.434  -34.380 1.00 51.85  ? 494  THR A CG2 1 
ATOM   2355 N N   . LEU A 1 319 ? -13.035 -3.054  -33.142 1.00 47.45  ? 495  LEU A N   1 
ATOM   2356 C CA  . LEU A 1 319 ? -14.254 -3.653  -33.682 1.00 46.15  ? 495  LEU A CA  1 
ATOM   2357 C C   . LEU A 1 319 ? -15.180 -2.566  -34.173 1.00 48.77  ? 495  LEU A C   1 
ATOM   2358 O O   . LEU A 1 319 ? -15.743 -2.689  -35.251 1.00 52.50  ? 495  LEU A O   1 
ATOM   2359 C CB  . LEU A 1 319 ? -14.939 -4.552  -32.651 1.00 43.38  ? 495  LEU A CB  1 
ATOM   2360 C CG  . LEU A 1 319 ? -14.177 -5.850  -32.327 1.00 40.88  ? 495  LEU A CG  1 
ATOM   2361 C CD1 . LEU A 1 319 ? -14.725 -6.589  -31.114 1.00 37.91  ? 495  LEU A CD1 1 
ATOM   2362 C CD2 . LEU A 1 319 ? -14.168 -6.774  -33.539 1.00 41.21  ? 495  LEU A CD2 1 
ATOM   2363 N N   . THR A 1 320 ? -15.260 -1.476  -33.418 1.00 50.53  ? 496  THR A N   1 
ATOM   2364 C CA  . THR A 1 320 ? -16.050 -0.314  -33.786 1.00 52.80  ? 496  THR A CA  1 
ATOM   2365 C C   . THR A 1 320 ? -15.636 0.344   -35.117 1.00 57.00  ? 496  THR A C   1 
ATOM   2366 O O   . THR A 1 320 ? -16.481 0.959   -35.778 1.00 55.47  ? 496  THR A O   1 
ATOM   2367 C CB  . THR A 1 320 ? -16.015 0.728   -32.657 1.00 53.12  ? 496  THR A CB  1 
ATOM   2368 O OG1 . THR A 1 320 ? -16.376 0.086   -31.431 1.00 53.85  ? 496  THR A OG1 1 
ATOM   2369 C CG2 . THR A 1 320 ? -17.005 1.846   -32.912 1.00 53.90  ? 496  THR A CG2 1 
ATOM   2370 N N   . LYS A 1 321 ? -14.354 0.220   -35.494 1.00 58.51  ? 497  LYS A N   1 
ATOM   2371 C CA  . LYS A 1 321 ? -13.839 0.779   -36.758 1.00 60.89  ? 497  LYS A CA  1 
ATOM   2372 C C   . LYS A 1 321 ? -13.776 -0.203  -37.948 1.00 60.81  ? 497  LYS A C   1 
ATOM   2373 O O   . LYS A 1 321 ? -13.619 0.236   -39.091 1.00 60.43  ? 497  LYS A O   1 
ATOM   2374 C CB  . LYS A 1 321 ? -12.475 1.450   -36.530 1.00 63.82  ? 497  LYS A CB  1 
ATOM   2375 C CG  . LYS A 1 321 ? -12.578 2.928   -36.160 1.00 68.87  ? 497  LYS A CG  1 
ATOM   2376 C CD  . LYS A 1 321 ? -13.265 3.166   -34.810 1.00 72.45  ? 497  LYS A CD  1 
ATOM   2377 C CE  . LYS A 1 321 ? -14.342 4.243   -34.883 1.00 73.52  ? 497  LYS A CE  1 
ATOM   2378 N NZ  . LYS A 1 321 ? -13.765 5.577   -35.212 1.00 76.41  ? 497  LYS A NZ  1 
ATOM   2379 N N   . ILE A 1 322 ? -13.905 -1.510  -37.695 1.00 60.40  ? 498  ILE A N   1 
ATOM   2380 C CA  . ILE A 1 322 ? -13.963 -2.512  -38.777 1.00 60.45  ? 498  ILE A CA  1 
ATOM   2381 C C   . ILE A 1 322 ? -15.286 -2.373  -39.543 1.00 60.94  ? 498  ILE A C   1 
ATOM   2382 O O   . ILE A 1 322 ? -16.288 -1.914  -38.989 1.00 58.72  ? 498  ILE A O   1 
ATOM   2383 C CB  . ILE A 1 322 ? -13.766 -3.965  -38.248 1.00 58.70  ? 498  ILE A CB  1 
ATOM   2384 C CG1 . ILE A 1 322 ? -12.329 -4.148  -37.737 1.00 59.33  ? 498  ILE A CG1 1 
ATOM   2385 C CG2 . ILE A 1 322 ? -14.045 -5.014  -39.329 1.00 58.01  ? 498  ILE A CG2 1 
ATOM   2386 C CD1 . ILE A 1 322 ? -12.110 -5.395  -36.903 1.00 56.91  ? 498  ILE A CD1 1 
ATOM   2387 N N   . ASP A 1 323 ? -15.240 -2.721  -40.832 1.00 64.64  ? 499  ASP A N   1 
ATOM   2388 C CA  . ASP A 1 323 ? -16.412 -2.840  -41.705 1.00 68.43  ? 499  ASP A CA  1 
ATOM   2389 C C   . ASP A 1 323 ? -16.435 -4.229  -42.338 1.00 69.63  ? 499  ASP A C   1 
ATOM   2390 O O   . ASP A 1 323 ? -15.401 -4.849  -42.634 1.00 67.00  ? 499  ASP A O   1 
ATOM   2391 C CB  . ASP A 1 323 ? -16.385 -1.774  -42.814 1.00 69.37  ? 499  ASP A CB  1 
ATOM   2392 C CG  . ASP A 1 323 ? -16.699 -0.373  -42.299 1.00 70.07  ? 499  ASP A CG  1 
ATOM   2393 O OD1 . ASP A 1 323 ? -17.608 -0.235  -41.453 1.00 68.05  ? 499  ASP A OD1 1 
ATOM   2394 O OD2 . ASP A 1 323 ? -16.048 0.593   -42.755 1.00 69.27  ? 499  ASP A OD2 1 
ATOM   2395 O OXT . ASP A 1 323 ? -17.520 -4.759  -42.570 1.00 71.07  ? 499  ASP A OXT 1 
HETATM 2396 S S   . SO4 B 2 .   ? -34.400 -11.334 -25.898 1.00 39.24  ? 1001 SO4 A S   1 
HETATM 2397 O O1  . SO4 B 2 .   ? -34.299 -10.608 -27.179 1.00 43.94  ? 1001 SO4 A O1  1 
HETATM 2398 O O2  . SO4 B 2 .   ? -33.748 -12.650 -26.045 1.00 42.93  ? 1001 SO4 A O2  1 
HETATM 2399 O O3  . SO4 B 2 .   ? -35.818 -11.574 -25.559 1.00 46.36  ? 1001 SO4 A O3  1 
HETATM 2400 O O4  . SO4 B 2 .   ? -33.776 -10.498 -24.856 1.00 41.38  ? 1001 SO4 A O4  1 
HETATM 2401 S S   . SO4 C 2 .   ? -30.231 -8.806  -20.198 1.00 73.65  ? 1002 SO4 A S   1 
HETATM 2402 O O1  . SO4 C 2 .   ? -28.874 -8.358  -20.604 1.00 66.46  ? 1002 SO4 A O1  1 
HETATM 2403 O O2  . SO4 C 2 .   ? -31.195 -8.591  -21.305 1.00 71.61  ? 1002 SO4 A O2  1 
HETATM 2404 O O3  . SO4 C 2 .   ? -30.207 -10.247 -19.842 1.00 55.70  ? 1002 SO4 A O3  1 
HETATM 2405 O O4  . SO4 C 2 .   ? -30.658 -7.991  -19.043 1.00 67.55  ? 1002 SO4 A O4  1 
HETATM 2406 S S   . SO4 D 2 .   ? -26.170 -0.242  -20.929 0.50 69.28  ? 1003 SO4 A S   1 
HETATM 2407 O O1  . SO4 D 2 .   ? -26.388 1.025   -21.668 0.50 65.02  ? 1003 SO4 A O1  1 
HETATM 2408 O O2  . SO4 D 2 .   ? -25.215 -1.089  -21.679 0.50 63.58  ? 1003 SO4 A O2  1 
HETATM 2409 O O3  . SO4 D 2 .   ? -27.456 -0.959  -20.780 0.50 70.09  ? 1003 SO4 A O3  1 
HETATM 2410 O O4  . SO4 D 2 .   ? -25.622 0.060   -19.592 0.50 68.03  ? 1003 SO4 A O4  1 
HETATM 2411 S S   . SO4 E 2 .   ? -26.011 -32.956 -7.947  0.50 46.74  ? 1004 SO4 A S   1 
HETATM 2412 O O1  . SO4 E 2 .   ? -24.918 -32.113 -8.472  0.50 39.64  ? 1004 SO4 A O1  1 
HETATM 2413 O O2  . SO4 E 2 .   ? -26.088 -34.239 -8.684  0.50 41.90  ? 1004 SO4 A O2  1 
HETATM 2414 O O3  . SO4 E 2 .   ? -25.769 -33.240 -6.513  0.50 50.47  ? 1004 SO4 A O3  1 
HETATM 2415 O O4  . SO4 E 2 .   ? -27.280 -32.214 -8.086  0.50 44.94  ? 1004 SO4 A O4  1 
HETATM 2416 S S   . SO4 F 2 .   ? -15.411 -29.558 -23.563 1.00 48.58  ? 1005 SO4 A S   1 
HETATM 2417 O O1  . SO4 F 2 .   ? -14.816 -30.473 -24.556 1.00 47.94  ? 1005 SO4 A O1  1 
HETATM 2418 O O2  . SO4 F 2 .   ? -15.064 -28.140 -23.844 1.00 44.28  ? 1005 SO4 A O2  1 
HETATM 2419 O O3  . SO4 F 2 .   ? -16.891 -29.706 -23.587 1.00 49.72  ? 1005 SO4 A O3  1 
HETATM 2420 O O4  . SO4 F 2 .   ? -14.919 -29.925 -22.228 1.00 41.60  ? 1005 SO4 A O4  1 
HETATM 2421 S S   . SO4 G 2 .   ? -20.236 -29.157 -18.971 1.00 72.78  ? 1006 SO4 A S   1 
HETATM 2422 O O1  . SO4 G 2 .   ? -18.927 -29.401 -19.621 1.00 69.20  ? 1006 SO4 A O1  1 
HETATM 2423 O O2  . SO4 G 2 .   ? -21.174 -28.459 -19.888 1.00 62.53  ? 1006 SO4 A O2  1 
HETATM 2424 O O3  . SO4 G 2 .   ? -20.836 -30.464 -18.602 1.00 60.00  ? 1006 SO4 A O3  1 
HETATM 2425 O O4  . SO4 G 2 .   ? -19.990 -28.308 -17.782 1.00 68.46  ? 1006 SO4 A O4  1 
HETATM 2426 O O   . XQX H 3 .   ? -23.994 -20.635 -16.693 1.00 28.20  ? 1007 XQX A O   1 
HETATM 2427 C C21 . XQX H 3 .   ? -24.188 -20.687 -17.886 1.00 30.10  ? 1007 XQX A C21 1 
HETATM 2428 C C22 . XQX H 3 .   ? -23.363 -21.669 -18.709 1.00 27.22  ? 1007 XQX A C22 1 
HETATM 2429 C C24 . XQX H 3 .   ? -22.532 -22.728 -18.111 1.00 29.46  ? 1007 XQX A C24 1 
HETATM 2430 C C23 . XQX H 3 .   ? -23.888 -23.037 -18.891 1.00 29.83  ? 1007 XQX A C23 1 
HETATM 2431 N N4  . XQX H 3 .   ? -25.204 -19.930 -18.436 1.00 27.94  ? 1007 XQX A N4  1 
HETATM 2432 C C17 . XQX H 3 .   ? -26.162 -19.146 -17.630 1.00 31.73  ? 1007 XQX A C17 1 
HETATM 2433 C C19 . XQX H 3 .   ? -25.620 -19.900 -19.849 1.00 30.53  ? 1007 XQX A C19 1 
HETATM 2434 C C20 . XQX H 3 .   ? -26.950 -20.657 -19.933 1.00 29.39  ? 1007 XQX A C20 1 
HETATM 2435 N N5  . XQX H 3 .   ? -27.924 -19.928 -19.085 1.00 27.46  ? 1007 XQX A N5  1 
HETATM 2436 C C18 . XQX H 3 .   ? -27.488 -19.951 -17.661 1.00 29.01  ? 1007 XQX A C18 1 
HETATM 2437 C C12 . XQX H 3 .   ? -28.982 -19.155 -19.605 1.00 28.03  ? 1007 XQX A C12 1 
HETATM 2438 C C10 . XQX H 3 .   ? -29.150 -17.901 -19.059 1.00 26.46  ? 1007 XQX A C10 1 
HETATM 2439 C C13 . XQX H 3 .   ? -29.818 -19.497 -20.691 1.00 28.00  ? 1007 XQX A C13 1 
HETATM 2440 C C14 . XQX H 3 .   ? -29.887 -20.647 -21.450 1.00 27.13  ? 1007 XQX A C14 1 
HETATM 2441 C C15 . XQX H 3 .   ? -30.908 -20.430 -22.357 1.00 29.60  ? 1007 XQX A C15 1 
HETATM 2442 C C16 . XQX H 3 .   ? -31.426 -19.166 -22.129 1.00 27.42  ? 1007 XQX A C16 1 
HETATM 2443 N N3  . XQX H 3 .   ? -30.741 -18.642 -21.120 1.00 26.19  ? 1007 XQX A N3  1 
HETATM 2444 N N2  . XQX H 3 .   ? -30.920 -17.504 -20.615 1.00 27.01  ? 1007 XQX A N2  1 
HETATM 2445 C C11 . XQX H 3 .   ? -30.138 -17.078 -19.546 1.00 27.98  ? 1007 XQX A C11 1 
HETATM 2446 C C4  . XQX H 3 .   ? -31.334 -21.382 -23.433 1.00 33.08  ? 1007 XQX A C4  1 
HETATM 2447 C C6  . XQX H 3 .   ? -30.531 -22.479 -23.770 1.00 38.41  ? 1007 XQX A C6  1 
HETATM 2448 C C8  . XQX H 3 .   ? -30.877 -23.351 -24.792 1.00 41.29  ? 1007 XQX A C8  1 
HETATM 2449 C C9  . XQX H 3 .   ? -32.034 -23.150 -25.544 1.00 41.04  ? 1007 XQX A C9  1 
HETATM 2450 C C7  . XQX H 3 .   ? -32.827 -22.050 -25.233 1.00 37.77  ? 1007 XQX A C7  1 
HETATM 2451 C C5  . XQX H 3 .   ? -32.481 -21.164 -24.209 1.00 37.60  ? 1007 XQX A C5  1 
HETATM 2452 N N   . XQX H 3 .   ? -32.420 -24.062 -26.568 1.00 48.04  ? 1007 XQX A N   1 
HETATM 2453 C C1  . XQX H 3 .   ? -32.286 -25.535 -26.420 1.00 52.45  ? 1007 XQX A C1  1 
HETATM 2454 C C3  . XQX H 3 .   ? -31.641 -26.143 -27.673 1.00 56.89  ? 1007 XQX A C3  1 
HETATM 2455 N N1  . XQX H 3 .   ? -32.570 -25.964 -28.801 1.00 55.73  ? 1007 XQX A N1  1 
HETATM 2456 C C2  . XQX H 3 .   ? -32.767 -24.526 -29.087 1.00 53.63  ? 1007 XQX A C2  1 
HETATM 2457 C C   . XQX H 3 .   ? -33.088 -23.663 -27.835 1.00 51.28  ? 1007 XQX A C   1 
HETATM 2458 O O   . HOH I 4 .   ? -25.330 -14.017 -14.721 1.00 22.54  ? 1101 HOH A O   1 
HETATM 2459 O O   . HOH I 4 .   ? -38.076 -29.270 -20.134 1.00 42.59  ? 1102 HOH A O   1 
HETATM 2460 O O   . HOH I 4 .   ? -9.050  -3.581  -4.527  1.00 55.75  ? 1103 HOH A O   1 
HETATM 2461 O O   . HOH I 4 .   ? -13.107 -22.727 -45.260 1.00 48.96  ? 1104 HOH A O   1 
HETATM 2462 O O   . HOH I 4 .   ? -45.594 -16.093 -13.987 1.00 32.09  ? 1105 HOH A O   1 
HETATM 2463 O O   . HOH I 4 .   ? -11.549 -23.753 1.870   1.00 50.41  ? 1106 HOH A O   1 
HETATM 2464 O O   . HOH I 4 .   ? -45.408 -18.337 -11.855 1.00 28.55  ? 1107 HOH A O   1 
HETATM 2465 O O   . HOH I 4 .   ? -23.199 -4.734  -36.936 1.00 31.44  ? 1108 HOH A O   1 
HETATM 2466 O O   . HOH I 4 .   ? -27.689 -12.452 -34.462 1.00 45.56  ? 1109 HOH A O   1 
HETATM 2467 O O   . HOH I 4 .   ? -17.616 -8.429  -45.186 1.00 46.93  ? 1110 HOH A O   1 
HETATM 2468 O O   . HOH I 4 .   ? -17.760 -25.519 -21.676 1.00 43.36  ? 1111 HOH A O   1 
HETATM 2469 O O   . HOH I 4 .   ? -24.265 -18.473 -13.656 1.00 28.94  ? 1112 HOH A O   1 
HETATM 2470 O O   . HOH I 4 .   ? -7.937  -24.517 -35.762 1.00 32.14  ? 1113 HOH A O   1 
HETATM 2471 O O   . HOH I 4 .   ? -21.239 -18.973 -11.856 1.00 28.97  ? 1114 HOH A O   1 
HETATM 2472 O O   . HOH I 4 .   ? -26.924 -6.991  -16.529 1.00 54.44  ? 1115 HOH A O   1 
HETATM 2473 O O   . HOH I 4 .   ? -17.969 -19.211 -14.218 1.00 32.03  ? 1116 HOH A O   1 
HETATM 2474 O O   . HOH I 4 .   ? -14.499 -15.820 -48.981 1.00 45.70  ? 1117 HOH A O   1 
HETATM 2475 O O   . HOH I 4 .   ? -25.712 -32.533 -16.626 0.50 21.15  ? 1118 HOH A O   1 
HETATM 2476 O O   . HOH I 4 .   ? -6.459  0.096   -23.631 1.00 42.68  ? 1119 HOH A O   1 
HETATM 2477 O O   . HOH I 4 .   ? -28.540 -26.705 -6.095  1.00 36.15  ? 1120 HOH A O   1 
HETATM 2478 O O   . HOH I 4 .   ? -36.079 -28.776 -23.587 1.00 37.62  ? 1121 HOH A O   1 
HETATM 2479 O O   . HOH I 4 .   ? -21.287 -30.453 -23.438 1.00 42.95  ? 1122 HOH A O   1 
HETATM 2480 O O   . HOH I 4 .   ? -13.266 -23.822 0.116   1.00 40.15  ? 1123 HOH A O   1 
HETATM 2481 O O   . HOH I 4 .   ? -7.938  -22.598 -45.766 1.00 38.18  ? 1124 HOH A O   1 
HETATM 2482 O O   . HOH I 4 .   ? -19.878 6.607   -10.097 1.00 39.20  ? 1125 HOH A O   1 
HETATM 2483 O O   . HOH I 4 .   ? -4.092  -19.618 -42.567 1.00 45.73  ? 1126 HOH A O   1 
HETATM 2484 O O   . HOH I 4 .   ? -19.895 -22.794 -16.407 1.00 35.60  ? 1127 HOH A O   1 
HETATM 2485 O O   . HOH I 4 .   ? -28.417 -16.023 -38.291 1.00 46.56  ? 1128 HOH A O   1 
HETATM 2486 O O   . HOH I 4 .   ? -6.874  -22.431 -24.435 1.00 31.93  ? 1129 HOH A O   1 
HETATM 2487 O O   . HOH I 4 .   ? -21.346 -21.620 -12.409 1.00 39.89  ? 1130 HOH A O   1 
HETATM 2488 O O   . HOH I 4 .   ? -22.123 -25.864 -38.099 1.00 36.40  ? 1131 HOH A O   1 
HETATM 2489 O O   . HOH I 4 .   ? -7.803  -5.924  -36.637 1.00 41.58  ? 1132 HOH A O   1 
HETATM 2490 O O   . HOH I 4 .   ? -12.449 -31.518 -29.005 1.00 47.42  ? 1133 HOH A O   1 
HETATM 2491 O O   . HOH I 4 .   ? -21.814 -31.985 -11.530 1.00 40.82  ? 1134 HOH A O   1 
HETATM 2492 O O   . HOH I 4 .   ? -32.696 -14.837 -27.310 1.00 38.44  ? 1135 HOH A O   1 
HETATM 2493 O O   . HOH I 4 .   ? -26.262 -0.958  -28.352 1.00 38.66  ? 1136 HOH A O   1 
HETATM 2494 O O   . HOH I 4 .   ? -16.983 -30.705 -26.556 1.00 50.61  ? 1137 HOH A O   1 
HETATM 2495 O O   . HOH I 4 .   ? -33.319 -8.054  -23.777 1.00 67.02  ? 1138 HOH A O   1 
HETATM 2496 O O   . HOH I 4 .   ? -8.087  -18.259 -20.424 1.00 46.03  ? 1139 HOH A O   1 
HETATM 2497 O O   . HOH I 4 .   ? -34.939 -11.284 -22.232 1.00 40.75  ? 1140 HOH A O   1 
HETATM 2498 O O   . HOH I 4 .   ? -16.838 -16.602 -13.908 1.00 32.37  ? 1141 HOH A O   1 
HETATM 2499 O O   . HOH I 4 .   ? -30.396 -22.439 -28.755 1.00 46.19  ? 1142 HOH A O   1 
HETATM 2500 O O   . HOH I 4 .   ? -2.098  -13.397 -17.201 1.00 27.64  ? 1143 HOH A O   1 
HETATM 2501 O O   . HOH I 4 .   ? -39.474 -35.193 -7.410  1.00 39.87  ? 1144 HOH A O   1 
HETATM 2502 O O   . HOH I 4 .   ? -10.103 -23.146 -39.162 1.00 40.16  ? 1145 HOH A O   1 
HETATM 2503 O O   . HOH I 4 .   ? -29.109 0.815   -13.979 1.00 39.34  ? 1146 HOH A O   1 
HETATM 2504 O O   . HOH I 4 .   ? -17.558 -12.989 -8.376  1.00 50.66  ? 1147 HOH A O   1 
HETATM 2505 O O   . HOH I 4 .   ? -25.155 -15.922 -14.583 1.00 30.16  ? 1148 HOH A O   1 
HETATM 2506 O O   . HOH I 4 .   ? -21.260 -23.977 -12.486 1.00 37.09  ? 1149 HOH A O   1 
HETATM 2507 O O   . HOH I 4 .   ? -25.809 -10.130 -34.312 1.00 23.84  ? 1150 HOH A O   1 
HETATM 2508 O O   . HOH I 4 .   ? -1.960  -7.453  -22.170 1.00 37.81  ? 1151 HOH A O   1 
HETATM 2509 O O   . HOH I 4 .   ? -2.964  -5.971  -9.380  1.00 37.32  ? 1152 HOH A O   1 
HETATM 2510 O O   . HOH I 4 .   ? -1.626  -31.744 -31.269 1.00 47.97  ? 1153 HOH A O   1 
HETATM 2511 O O   . HOH I 4 .   ? -21.725 1.080   -12.138 1.00 52.79  ? 1154 HOH A O   1 
HETATM 2512 O O   . HOH I 4 .   ? -16.051 -10.927 -49.278 1.00 47.57  ? 1155 HOH A O   1 
HETATM 2513 O O   . HOH I 4 .   ? -8.906  -5.629  -20.879 1.00 34.57  ? 1156 HOH A O   1 
HETATM 2514 O O   . HOH I 4 .   ? -22.443 -4.738  -31.056 1.00 37.42  ? 1157 HOH A O   1 
HETATM 2515 O O   . HOH I 4 .   ? -36.352 -12.389 -19.629 1.00 36.99  ? 1158 HOH A O   1 
HETATM 2516 O O   . HOH I 4 .   ? -8.797  -24.399 -33.085 1.00 35.48  ? 1159 HOH A O   1 
HETATM 2517 O O   . HOH I 4 .   ? -35.806 -7.059  -14.363 1.00 48.38  ? 1160 HOH A O   1 
HETATM 2518 O O   . HOH I 4 .   ? -36.031 -14.346 -25.241 1.00 39.12  ? 1161 HOH A O   1 
HETATM 2519 O O   . HOH I 4 .   ? -21.460 -25.678 -20.056 1.00 49.83  ? 1162 HOH A O   1 
HETATM 2520 O O   . HOH I 4 .   ? -13.447 -20.524 -20.274 1.00 27.47  ? 1163 HOH A O   1 
HETATM 2521 O O   . HOH I 4 .   ? -2.151  -4.267  -19.254 1.00 47.47  ? 1164 HOH A O   1 
HETATM 2522 O O   . HOH I 4 .   ? -11.154 -20.694 -18.887 1.00 30.14  ? 1165 HOH A O   1 
HETATM 2523 O O   . HOH I 4 .   ? -12.287 -30.248 -19.999 1.00 47.15  ? 1166 HOH A O   1 
HETATM 2524 O O   . HOH I 4 .   ? -4.914  -7.760  -22.257 1.00 25.64  ? 1167 HOH A O   1 
HETATM 2525 O O   . HOH I 4 .   ? 0.983   -19.326 -10.979 1.00 38.33  ? 1168 HOH A O   1 
HETATM 2526 O O   . HOH I 4 .   ? -2.202  -22.707 -36.377 1.00 52.31  ? 1169 HOH A O   1 
HETATM 2527 O O   . HOH I 4 .   ? -18.339 -25.405 -5.274  1.00 38.66  ? 1170 HOH A O   1 
HETATM 2528 O O   . HOH I 4 .   ? -16.699 -22.491 -34.906 1.00 26.40  ? 1171 HOH A O   1 
HETATM 2529 O O   . HOH I 4 .   ? -6.802  -11.379 -50.577 1.00 53.31  ? 1172 HOH A O   1 
HETATM 2530 O O   . HOH I 4 .   ? -3.751  -19.892 -39.388 1.00 41.03  ? 1173 HOH A O   1 
HETATM 2531 O O   . HOH I 4 .   ? -29.608 -33.732 -8.720  1.00 42.80  ? 1174 HOH A O   1 
HETATM 2532 O O   . HOH I 4 .   ? -29.564 -17.893 -14.749 1.00 23.96  ? 1175 HOH A O   1 
HETATM 2533 O O   . HOH I 4 .   ? -8.725  -2.867  -14.354 1.00 47.67  ? 1176 HOH A O   1 
HETATM 2534 O O   . HOH I 4 .   ? -28.009 0.480   -24.215 1.00 40.76  ? 1177 HOH A O   1 
HETATM 2535 O O   . HOH I 4 .   ? -9.616  -34.490 -31.590 1.00 44.18  ? 1178 HOH A O   1 
HETATM 2536 O O   . HOH I 4 .   ? -18.128 -23.036 -24.645 1.00 31.65  ? 1179 HOH A O   1 
HETATM 2537 O O   . HOH I 4 .   ? -27.120 -26.455 -29.083 1.00 54.17  ? 1180 HOH A O   1 
HETATM 2538 O O   . HOH I 4 .   ? -27.229 -24.106 -23.373 1.00 30.23  ? 1181 HOH A O   1 
HETATM 2539 O O   . HOH I 4 .   ? -21.331 -14.145 -49.800 1.00 48.88  ? 1182 HOH A O   1 
HETATM 2540 O O   . HOH I 4 .   ? -32.046 -9.412  -5.996  1.00 43.17  ? 1183 HOH A O   1 
HETATM 2541 O O   . HOH I 4 .   ? -27.351 -30.740 -10.613 1.00 48.82  ? 1184 HOH A O   1 
HETATM 2542 O O   . HOH I 4 .   ? -27.095 -13.540 -39.189 1.00 48.23  ? 1185 HOH A O   1 
HETATM 2543 O O   . HOH I 4 .   ? -42.532 -25.260 -11.093 1.00 31.09  ? 1186 HOH A O   1 
HETATM 2544 O O   . HOH I 4 .   ? -34.002 -9.057  -20.522 1.00 42.16  ? 1187 HOH A O   1 
HETATM 2545 O O   . HOH I 4 .   ? -14.214 2.346   -41.241 1.00 45.40  ? 1188 HOH A O   1 
HETATM 2546 O O   . HOH I 4 .   ? -0.437  -15.027 -31.954 1.00 45.67  ? 1189 HOH A O   1 
HETATM 2547 O O   . HOH I 4 .   ? -33.006 -7.987  -27.628 1.00 54.12  ? 1190 HOH A O   1 
HETATM 2548 O O   . HOH I 4 .   ? 0.504   -13.231 -16.039 1.00 32.20  ? 1191 HOH A O   1 
HETATM 2549 O O   . HOH I 4 .   ? 6.986   -21.645 -31.561 1.00 52.52  ? 1192 HOH A O   1 
HETATM 2550 O O   . HOH I 4 .   ? -0.199  -22.309 -34.386 1.00 39.60  ? 1193 HOH A O   1 
HETATM 2551 O O   . HOH I 4 .   ? 3.277   -5.928  -17.802 1.00 48.13  ? 1194 HOH A O   1 
HETATM 2552 O O   . HOH I 4 .   ? -11.772 -16.247 -19.269 1.00 24.98  ? 1195 HOH A O   1 
HETATM 2553 O O   . HOH I 4 .   ? -12.173 -26.006 -40.791 1.00 56.17  ? 1196 HOH A O   1 
HETATM 2554 O O   . HOH I 4 .   ? -19.486 -2.523  -42.569 1.00 52.65  ? 1197 HOH A O   1 
HETATM 2555 O O   . HOH I 4 .   ? -17.022 -24.862 -27.356 1.00 32.15  ? 1198 HOH A O   1 
HETATM 2556 O O   . HOH I 4 .   ? -8.499  -24.736 -7.939  1.00 42.97  ? 1199 HOH A O   1 
HETATM 2557 O O   . HOH I 4 .   ? -12.718 -27.891 -21.379 1.00 34.73  ? 1200 HOH A O   1 
HETATM 2558 O O   . HOH I 4 .   ? -20.077 -25.318 -17.604 1.00 34.54  ? 1201 HOH A O   1 
HETATM 2559 O O   . HOH I 4 .   ? -29.505 -5.381  -19.978 1.00 45.45  ? 1202 HOH A O   1 
HETATM 2560 O O   . HOH I 4 .   ? -38.953 -28.293 -24.039 1.00 57.24  ? 1203 HOH A O   1 
HETATM 2561 O O   . HOH I 4 .   ? -45.156 -20.809 -9.003  1.00 42.31  ? 1204 HOH A O   1 
HETATM 2562 O O   . HOH I 4 .   ? -4.814  -4.960  -0.112  1.00 54.65  ? 1205 HOH A O   1 
HETATM 2563 O O   . HOH I 4 .   ? 2.373   -12.628 -8.914  1.00 54.43  ? 1206 HOH A O   1 
HETATM 2564 O O   . HOH I 4 .   ? -21.009 1.660   -5.956  1.00 57.08  ? 1207 HOH A O   1 
HETATM 2565 O O   . HOH I 4 .   ? -45.051 -16.405 -18.872 1.00 41.33  ? 1208 HOH A O   1 
HETATM 2566 O O   . HOH I 4 .   ? -22.589 -29.253 -40.416 1.00 51.10  ? 1209 HOH A O   1 
HETATM 2567 O O   . HOH I 4 .   ? -27.500 -7.430  -13.870 1.00 43.61  ? 1210 HOH A O   1 
HETATM 2568 O O   . HOH I 4 .   ? -17.215 -27.752 -26.072 1.00 43.90  ? 1211 HOH A O   1 
HETATM 2569 O O   . HOH I 4 .   ? -24.710 -23.529 -22.340 1.00 35.59  ? 1212 HOH A O   1 
HETATM 2570 O O   . HOH I 4 .   ? 4.146   -13.546 -27.365 1.00 44.15  ? 1213 HOH A O   1 
HETATM 2571 O O   . HOH I 4 .   ? 6.342   -17.601 -26.747 1.00 46.95  ? 1214 HOH A O   1 
HETATM 2572 O O   . HOH I 4 .   ? -8.937  -3.879  -38.320 1.00 52.02  ? 1215 HOH A O   1 
HETATM 2573 O O   . HOH I 4 .   ? -22.805 -32.070 -20.575 1.00 41.99  ? 1216 HOH A O   1 
HETATM 2574 O O   . HOH I 4 .   ? -33.832 -13.682 -2.188  1.00 45.30  ? 1217 HOH A O   1 
HETATM 2575 O O   . HOH I 4 .   ? -9.611  -2.826  -21.040 1.00 40.30  ? 1218 HOH A O   1 
HETATM 2576 O O   . HOH I 4 .   ? 2.408   -15.598 -8.681  1.00 42.68  ? 1219 HOH A O   1 
HETATM 2577 O O   . HOH I 4 .   ? -8.890  -19.486 -15.501 1.00 33.92  ? 1220 HOH A O   1 
HETATM 2578 O O   . HOH I 4 .   ? -31.159 -11.802 -4.486  1.00 35.63  ? 1221 HOH A O   1 
HETATM 2579 O O   . HOH I 4 .   ? -36.994 -20.765 -26.196 1.00 49.68  ? 1222 HOH A O   1 
HETATM 2580 O O   . HOH I 4 .   ? -28.985 -27.283 -26.393 1.00 43.73  ? 1223 HOH A O   1 
HETATM 2581 O O   . HOH I 4 .   ? -36.775 -29.477 -11.453 1.00 41.69  ? 1224 HOH A O   1 
HETATM 2582 O O   . HOH I 4 .   ? -37.153 -36.392 -9.719  1.00 48.66  ? 1225 HOH A O   1 
HETATM 2583 O O   . HOH I 4 .   ? -4.192  -2.560  -26.285 1.00 38.86  ? 1226 HOH A O   1 
HETATM 2584 O O   . HOH I 4 .   ? 6.983   -30.260 -29.229 1.00 46.28  ? 1227 HOH A O   1 
HETATM 2585 O O   . HOH I 4 .   ? -7.599  -32.406 -15.539 1.00 42.91  ? 1228 HOH A O   1 
HETATM 2586 O O   . HOH I 4 .   ? -8.502  -10.493 -0.051  1.00 53.85  ? 1229 HOH A O   1 
HETATM 2587 O O   . HOH I 4 .   ? -10.601 -22.172 -46.688 1.00 30.38  ? 1230 HOH A O   1 
HETATM 2588 O O   . HOH I 4 .   ? -12.858 -27.205 -12.797 1.00 39.11  ? 1231 HOH A O   1 
HETATM 2589 O O   . HOH I 4 .   ? -12.208 -4.288  -4.494  1.00 53.38  ? 1232 HOH A O   1 
HETATM 2590 O O   . HOH I 4 .   ? -26.631 -23.470 -40.889 1.00 51.65  ? 1233 HOH A O   1 
HETATM 2591 O O   . HOH I 4 .   ? -19.905 -10.103 -47.225 1.00 49.29  ? 1234 HOH A O   1 
HETATM 2592 O O   . HOH I 4 .   ? -28.378 -29.952 -5.527  1.00 48.62  ? 1235 HOH A O   1 
HETATM 2593 O O   . HOH I 4 .   ? -14.571 9.236   -8.003  1.00 56.20  ? 1236 HOH A O   1 
HETATM 2594 O O   . HOH I 4 .   ? -8.644  -20.072 -7.565  1.00 51.76  ? 1237 HOH A O   1 
HETATM 2595 O O   . HOH I 4 .   ? -15.904 3.735   -38.130 1.00 49.33  ? 1238 HOH A O   1 
HETATM 2596 O O   . HOH I 4 .   ? -31.393 -30.320 -21.871 1.00 44.08  ? 1239 HOH A O   1 
HETATM 2597 O O   . HOH I 4 .   ? -16.699 1.278   -6.443  1.00 38.93  ? 1240 HOH A O   1 
HETATM 2598 O O   . HOH I 4 .   ? -15.640 -26.019 -45.056 1.00 54.87  ? 1241 HOH A O   1 
HETATM 2599 O O   . HOH I 4 .   ? -6.280  -20.200 -11.897 1.00 56.08  ? 1242 HOH A O   1 
HETATM 2600 O O   . HOH I 4 .   ? -40.211 -27.674 2.019   1.00 39.53  ? 1243 HOH A O   1 
HETATM 2601 O O   . HOH I 4 .   ? -25.552 -2.177  -6.103  1.00 45.80  ? 1244 HOH A O   1 
HETATM 2602 O O   . HOH I 4 .   ? -45.629 -11.923 -3.075  1.00 49.11  ? 1245 HOH A O   1 
HETATM 2603 O O   . HOH I 4 .   ? -39.694 -19.047 -25.669 1.00 56.82  ? 1246 HOH A O   1 
HETATM 2604 O O   . HOH I 4 .   ? -41.207 -29.345 -14.570 1.00 38.57  ? 1247 HOH A O   1 
HETATM 2605 O O   . HOH I 4 .   ? -4.061  0.452   -25.945 1.00 41.44  ? 1248 HOH A O   1 
HETATM 2606 O O   . HOH I 4 .   ? -7.118  -16.286 -0.729  1.00 46.13  ? 1249 HOH A O   1 
HETATM 2607 O O   . HOH I 4 .   ? -17.353 -1.154  -5.409  1.00 43.13  ? 1250 HOH A O   1 
HETATM 2608 O O   . HOH I 4 .   ? -13.372 -28.656 -17.887 1.00 35.87  ? 1251 HOH A O   1 
HETATM 2609 O O   . HOH I 4 .   ? -39.441 -26.298 -7.741  1.00 55.92  ? 1252 HOH A O   1 
HETATM 2610 O O   . HOH I 4 .   ? -26.353 -1.767  -33.449 1.00 50.34  ? 1253 HOH A O   1 
HETATM 2611 O O   . HOH I 4 .   ? -33.798 -5.711  -25.876 1.00 51.15  ? 1254 HOH A O   1 
HETATM 2612 O O   . HOH I 4 .   ? -33.981 -4.611  -17.647 1.00 50.45  ? 1255 HOH A O   1 
HETATM 2613 O O   . HOH I 4 .   ? -6.193  -6.264  -20.217 1.00 31.11  ? 1256 HOH A O   1 
HETATM 2614 O O   . HOH I 4 .   ? -23.261 -4.588  0.594   1.00 48.19  ? 1257 HOH A O   1 
HETATM 2615 O O   . HOH I 4 .   ? -26.709 -17.756 -14.741 1.00 14.92  ? 1258 HOH A O   1 
HETATM 2616 O O   . HOH I 4 .   ? -30.157 -28.006 -32.335 1.00 51.49  ? 1259 HOH A O   1 
HETATM 2617 O O   . HOH I 4 .   ? -16.998 -3.667  -4.089  1.00 43.78  ? 1260 HOH A O   1 
HETATM 2618 O O   . HOH I 4 .   ? -12.433 5.638   -29.711 1.00 56.89  ? 1261 HOH A O   1 
HETATM 2619 O O   . HOH I 4 .   ? -5.645  -24.624 -12.160 1.00 55.90  ? 1262 HOH A O   1 
HETATM 2620 O O   . HOH I 4 .   ? -21.593 -0.186  -33.299 1.00 49.84  ? 1263 HOH A O   1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . THR A 27  ? 0.7452 1.2641 0.7282 0.0077  0.1045  -0.0442 203 THR A N   
2    C CA  . THR A 27  ? 0.7447 1.2451 0.7282 0.0124  0.0940  -0.0440 203 THR A CA  
3    C C   . THR A 27  ? 0.7191 1.2198 0.7203 0.0136  0.0887  -0.0418 203 THR A C   
4    O O   . THR A 27  ? 0.7412 1.2579 0.7550 0.0105  0.0925  -0.0410 203 THR A O   
5    C CB  . THR A 27  ? 0.7963 1.2800 0.7631 0.0073  0.0895  -0.0358 203 THR A CB  
6    O OG1 . THR A 27  ? 0.7678 1.2502 0.7354 -0.0013 0.0914  -0.0263 203 THR A OG1 
7    C CG2 . THR A 27  ? 0.8231 1.3080 0.7705 0.0070  0.0929  -0.0372 203 THR A CG2 
8    N N   . VAL A 28  ? 0.6357 1.1209 0.6378 0.0178  0.0802  -0.0411 204 VAL A N   
9    C CA  . VAL A 28  ? 0.5615 1.0459 0.5771 0.0188  0.0742  -0.0378 204 VAL A CA  
10   C C   . VAL A 28  ? 0.4908 0.9762 0.5061 0.0082  0.0744  -0.0306 204 VAL A C   
11   O O   . VAL A 28  ? 0.4212 0.9200 0.4501 0.0060  0.0745  -0.0303 204 VAL A O   
12   C CB  . VAL A 28  ? 0.5605 1.0267 0.5747 0.0246  0.0660  -0.0378 204 VAL A CB  
13   C CG1 . VAL A 28  ? 0.5152 0.9797 0.5393 0.0242  0.0596  -0.0327 204 VAL A CG1 
14   C CG2 . VAL A 28  ? 0.5710 1.0367 0.5907 0.0348  0.0673  -0.0458 204 VAL A CG2 
15   N N   . ALA A 29  ? 0.4411 0.9140 0.4415 0.0019  0.0752  -0.0252 205 ALA A N   
16   C CA  . ALA A 29  ? 0.4166 0.8850 0.4160 -0.0081 0.0765  -0.0183 205 ALA A CA  
17   C C   . ALA A 29  ? 0.4057 0.8923 0.4153 -0.0155 0.0840  -0.0193 205 ALA A C   
18   O O   . ALA A 29  ? 0.3234 0.8127 0.3417 -0.0222 0.0833  -0.0181 205 ALA A O   
19   C CB  . ALA A 29  ? 0.4162 0.8701 0.3978 -0.0120 0.0786  -0.0116 205 ALA A CB  
20   N N   . ARG A 30  ? 0.4112 0.9111 0.4194 -0.0152 0.0916  -0.0221 206 ARG A N   
21   C CA  . ARG A 30  ? 0.4336 0.9537 0.4524 -0.0228 0.0998  -0.0235 206 ARG A CA  
22   C C   . ARG A 30  ? 0.4069 0.9491 0.4465 -0.0190 0.0976  -0.0297 206 ARG A C   
23   O O   . ARG A 30  ? 0.4113 0.9723 0.4625 -0.0270 0.1028  -0.0312 206 ARG A O   
24   C CB  . ARG A 30  ? 0.4650 0.9949 0.4758 -0.0237 0.1095  -0.0244 206 ARG A CB  
25   C CG  . ARG A 30  ? 0.4872 1.0275 0.5013 -0.0365 0.1195  -0.0212 206 ARG A CG  
26   C CD  . ARG A 30  ? 0.5489 1.0810 0.5440 -0.0413 0.1278  -0.0143 206 ARG A CD  
27   N NE  . ARG A 30  ? 0.6054 1.1560 0.5982 -0.0378 0.1353  -0.0190 206 ARG A NE  
28   C CZ  . ARG A 30  ? 0.5923 1.1671 0.5977 -0.0423 0.1440  -0.0233 206 ARG A CZ  
29   N NH1 . ARG A 30  ? 0.5749 1.1603 0.5973 -0.0511 0.1457  -0.0239 206 ARG A NH1 
30   N NH2 . ARG A 30  ? 0.6152 1.2057 0.6167 -0.0381 0.1511  -0.0280 206 ARG A NH2 
31   N N   . ASP A 31  ? 0.3864 0.9278 0.4311 -0.0070 0.0907  -0.0333 207 ASP A N   
32   C CA  . ASP A 31  ? 0.3695 0.9309 0.4336 -0.0008 0.0873  -0.0370 207 ASP A CA  
33   C C   . ASP A 31  ? 0.3289 0.8853 0.3982 -0.0025 0.0786  -0.0339 207 ASP A C   
34   O O   . ASP A 31  ? 0.3828 0.9568 0.4670 0.0024  0.0747  -0.0355 207 ASP A O   
35   C CB  . ASP A 31  ? 0.3863 0.9494 0.4544 0.0142  0.0862  -0.0417 207 ASP A CB  
36   C CG  . ASP A 31  ? 0.4250 1.0030 0.4939 0.0167  0.0960  -0.0473 207 ASP A CG  
37   O OD1 . ASP A 31  ? 0.4106 1.0096 0.4864 0.0095  0.1031  -0.0482 207 ASP A OD1 
38   O OD2 . ASP A 31  ? 0.4515 1.0207 0.5143 0.0255  0.0971  -0.0516 207 ASP A OD2 
39   N N   . ILE A 32  ? 0.2771 0.8115 0.3342 -0.0090 0.0757  -0.0294 208 ILE A N   
40   C CA  . ILE A 32  ? 0.2273 0.7566 0.2878 -0.0120 0.0686  -0.0273 208 ILE A CA  
41   C C   . ILE A 32  ? 0.2092 0.7474 0.2742 -0.0264 0.0731  -0.0278 208 ILE A C   
42   O O   . ILE A 32  ? 0.2060 0.7377 0.2636 -0.0351 0.0808  -0.0261 208 ILE A O   
43   C CB  . ILE A 32  ? 0.2239 0.7244 0.2696 -0.0116 0.0640  -0.0228 208 ILE A CB  
44   C CG1 . ILE A 32  ? 0.2324 0.7236 0.2744 0.0010  0.0596  -0.0234 208 ILE A CG1 
45   C CG2 . ILE A 32  ? 0.2119 0.7080 0.2603 -0.0164 0.0583  -0.0212 208 ILE A CG2 
46   C CD1 . ILE A 32  ? 0.2400 0.7061 0.2679 0.0020  0.0554  -0.0200 208 ILE A CD1 
47   N N   . THR A 33  ? 0.1829 0.7360 0.2597 -0.0290 0.0685  -0.0301 209 THR A N   
48   C CA  . THR A 33  ? 0.1815 0.7424 0.2634 -0.0436 0.0719  -0.0326 209 THR A CA  
49   C C   . THR A 33  ? 0.1875 0.7306 0.2634 -0.0458 0.0656  -0.0309 209 THR A C   
50   O O   . THR A 33  ? 0.1739 0.7179 0.2514 -0.0365 0.0572  -0.0300 209 THR A O   
51   C CB  . THR A 33  ? 0.1714 0.7696 0.2727 -0.0456 0.0713  -0.0384 209 THR A CB  
52   O OG1 . THR A 33  ? 0.1612 0.7773 0.2694 -0.0386 0.0760  -0.0398 209 THR A OG1 
53   C CG2 . THR A 33  ? 0.1699 0.7771 0.2770 -0.0638 0.0769  -0.0429 209 THR A CG2 
54   N N   . LEU A 34  ? 0.2097 0.7355 0.2786 -0.0577 0.0705  -0.0301 210 LEU A N   
55   C CA  . LEU A 34  ? 0.2250 0.7307 0.2870 -0.0601 0.0663  -0.0288 210 LEU A CA  
56   C C   . LEU A 34  ? 0.2392 0.7618 0.3120 -0.0710 0.0657  -0.0360 210 LEU A C   
57   O O   . LEU A 34  ? 0.2718 0.8040 0.3510 -0.0836 0.0733  -0.0402 210 LEU A O   
58   C CB  . LEU A 34  ? 0.2322 0.7084 0.2810 -0.0661 0.0729  -0.0238 210 LEU A CB  
59   C CG  . LEU A 34  ? 0.2367 0.6924 0.2712 -0.0566 0.0724  -0.0163 210 LEU A CG  
60   C CD1 . LEU A 34  ? 0.2532 0.6827 0.2769 -0.0632 0.0784  -0.0108 210 LEU A CD1 
61   C CD2 . LEU A 34  ? 0.2213 0.6713 0.2524 -0.0440 0.0626  -0.0148 210 LEU A CD2 
62   N N   . LEU A 35  ? 0.2373 0.7633 0.3115 -0.0674 0.0573  -0.0376 211 LEU A N   
63   C CA  . LEU A 35  ? 0.2429 0.7934 0.3282 -0.0761 0.0547  -0.0456 211 LEU A CA  
64   C C   . LEU A 35  ? 0.2569 0.7905 0.3365 -0.0852 0.0548  -0.0492 211 LEU A C   
65   O O   . LEU A 35  ? 0.2432 0.7853 0.3287 -0.0996 0.0590  -0.0574 211 LEU A O   
66   C CB  . LEU A 35  ? 0.2242 0.8001 0.3171 -0.0639 0.0449  -0.0449 211 LEU A CB  
67   C CG  . LEU A 35  ? 0.2196 0.8147 0.3207 -0.0536 0.0451  -0.0424 211 LEU A CG  
68   C CD1 . LEU A 35  ? 0.2146 0.8254 0.3208 -0.0384 0.0359  -0.0387 211 LEU A CD1 
69   C CD2 . LEU A 35  ? 0.2275 0.8512 0.3421 -0.0637 0.0511  -0.0489 211 LEU A CD2 
70   N N   . GLU A 36  ? 0.2746 0.7836 0.3430 -0.0775 0.0510  -0.0438 212 GLU A N   
71   C CA  . GLU A 36  ? 0.3052 0.8015 0.3690 -0.0832 0.0499  -0.0475 212 GLU A CA  
72   C C   . GLU A 36  ? 0.2878 0.7514 0.3387 -0.0757 0.0493  -0.0402 212 GLU A C   
73   O O   . GLU A 36  ? 0.2645 0.7244 0.3111 -0.0630 0.0435  -0.0337 212 GLU A O   
74   C CB  . GLU A 36  ? 0.3290 0.8523 0.3988 -0.0796 0.0407  -0.0513 212 GLU A CB  
75   C CG  . GLU A 36  ? 0.3643 0.8794 0.4279 -0.0797 0.0363  -0.0534 212 GLU A CG  
76   C CD  . GLU A 36  ? 0.3839 0.9315 0.4536 -0.0765 0.0276  -0.0562 212 GLU A CD  
77   O OE1 . GLU A 36  ? 0.4077 0.9808 0.4858 -0.0704 0.0240  -0.0540 212 GLU A OE1 
78   O OE2 . GLU A 36  ? 0.4250 0.9737 0.4907 -0.0794 0.0244  -0.0603 212 GLU A OE2 
79   N N   . CYS A 37  ? 0.2916 0.7317 0.3371 -0.0836 0.0557  -0.0416 213 CYS A N   
80   C CA  . CYS A 37  ? 0.3187 0.7311 0.3534 -0.0763 0.0549  -0.0351 213 CYS A CA  
81   C C   . CYS A 37  ? 0.3271 0.7427 0.3606 -0.0727 0.0477  -0.0380 213 CYS A C   
82   O O   . CYS A 37  ? 0.3274 0.7477 0.3639 -0.0818 0.0492  -0.0465 213 CYS A O   
83   C CB  . CYS A 37  ? 0.3413 0.7270 0.3713 -0.0841 0.0650  -0.0343 213 CYS A CB  
84   S SG  . CYS A 37  ? 0.3684 0.7231 0.3860 -0.0726 0.0640  -0.0241 213 CYS A SG  
85   N N   . VAL A 38  ? 0.3383 0.7514 0.3674 -0.0603 0.0407  -0.0314 214 VAL A N   
86   C CA  . VAL A 38  ? 0.3557 0.7731 0.3832 -0.0561 0.0340  -0.0326 214 VAL A CA  
87   C C   . VAL A 38  ? 0.3790 0.7723 0.3982 -0.0508 0.0340  -0.0282 214 VAL A C   
88   O O   . VAL A 38  ? 0.4082 0.8043 0.4255 -0.0459 0.0286  -0.0274 214 VAL A O   
89   C CB  . VAL A 38  ? 0.3287 0.7656 0.3594 -0.0461 0.0258  -0.0286 214 VAL A CB  
90   C CG1 . VAL A 38  ? 0.3289 0.7935 0.3692 -0.0500 0.0254  -0.0329 214 VAL A CG1 
91   C CG2 . VAL A 38  ? 0.2993 0.7235 0.3257 -0.0354 0.0241  -0.0202 214 VAL A CG2 
92   N N   . GLY A 39  ? 0.3650 0.7364 0.3797 -0.0513 0.0400  -0.0245 215 GLY A N   
93   C CA  . GLY A 39  ? 0.3724 0.7230 0.3802 -0.0449 0.0399  -0.0192 215 GLY A CA  
94   C C   . GLY A 39  ? 0.3840 0.7137 0.3872 -0.0452 0.0470  -0.0139 215 GLY A C   
95   O O   . GLY A 39  ? 0.3548 0.6861 0.3571 -0.0450 0.0491  -0.0101 215 GLY A O   
96   N N   . LYS A 40  ? 0.4032 0.7139 0.4034 -0.0450 0.0511  -0.0131 216 LYS A N   
97   C CA  . LYS A 40  ? 0.4486 0.7375 0.4444 -0.0445 0.0589  -0.0067 216 LYS A CA  
98   C C   . LYS A 40  ? 0.4798 0.7535 0.4715 -0.0355 0.0579  -0.0015 216 LYS A C   
99   O O   . LYS A 40  ? 0.4792 0.7478 0.4730 -0.0369 0.0592  -0.0070 216 LYS A O   
100  C CB  . LYS A 40  ? 0.4872 0.7672 0.4867 -0.0567 0.0688  -0.0134 216 LYS A CB  
101  C CG  . LYS A 40  ? 0.5531 0.8084 0.5489 -0.0575 0.0790  -0.0063 216 LYS A CG  
102  C CD  . LYS A 40  ? 0.5781 0.8374 0.5722 -0.0604 0.0826  -0.0006 216 LYS A CD  
103  C CE  . LYS A 40  ? 0.6187 0.8577 0.6045 -0.0537 0.0882  0.0129  216 LYS A CE  
104  N NZ  . LYS A 40  ? 0.6208 0.8612 0.5997 -0.0395 0.0801  0.0218  216 LYS A NZ  
105  N N   . GLY A 41  ? 0.4889 0.7575 0.4750 -0.0264 0.0557  0.0084  217 GLY A N   
106  C CA  . GLY A 41  ? 0.4967 0.7545 0.4802 -0.0175 0.0546  0.0137  217 GLY A CA  
107  C C   . GLY A 41  ? 0.5284 0.7786 0.5053 -0.0095 0.0553  0.0253  217 GLY A C   
108  O O   . GLY A 41  ? 0.5185 0.7695 0.4915 -0.0114 0.0578  0.0295  217 GLY A O   
109  N N   . ARG A 42  ? 0.5458 0.7909 0.5214 -0.0004 0.0529  0.0304  218 ARG A N   
110  C CA  . ARG A 42  ? 0.5472 0.7882 0.5166 0.0090  0.0524  0.0422  218 ARG A CA  
111  C C   . ARG A 42  ? 0.4752 0.7320 0.4392 0.0108  0.0461  0.0450  218 ARG A C   
112  O O   . ARG A 42  ? 0.4407 0.6957 0.3973 0.0145  0.0479  0.0537  218 ARG A O   
113  C CB  . ARG A 42  ? 0.5986 0.8387 0.5701 0.0184  0.0490  0.0449  218 ARG A CB  
114  C CG  . ARG A 42  ? 0.6829 0.9138 0.6499 0.0287  0.0517  0.0574  218 ARG A CG  
115  C CD  . ARG A 42  ? 0.7454 0.9542 0.7160 0.0306  0.0614  0.0591  218 ARG A CD  
116  N NE  . ARG A 42  ? 0.7767 0.9874 0.7540 0.0352  0.0592  0.0543  218 ARG A NE  
117  C CZ  . ARG A 42  ? 0.8264 1.0201 0.8086 0.0367  0.0671  0.0520  218 ARG A CZ  
118  N NH1 . ARG A 42  ? 0.8844 1.0553 0.8660 0.0334  0.0782  0.0537  218 ARG A NH1 
119  N NH2 . ARG A 42  ? 0.7534 0.9525 0.7415 0.0412  0.0647  0.0473  218 ARG A NH2 
120  N N   . TYR A 43  ? 0.4175 0.6891 0.3850 0.0083  0.0393  0.0374  219 TYR A N   
121  C CA  . TYR A 43  ? 0.3753 0.6607 0.3396 0.0079  0.0347  0.0365  219 TYR A CA  
122  C C   . TYR A 43  ? 0.3695 0.6559 0.3316 0.0016  0.0401  0.0360  219 TYR A C   
123  O O   . TYR A 43  ? 0.3773 0.6742 0.3359 0.0025  0.0375  0.0359  219 TYR A O   
124  C CB  . TYR A 43  ? 0.3381 0.6356 0.3083 0.0067  0.0280  0.0287  219 TYR A CB  
125  C CG  . TYR A 43  ? 0.3376 0.6364 0.3139 -0.0006 0.0305  0.0219  219 TYR A CG  
126  C CD1 . TYR A 43  ? 0.3167 0.6230 0.2941 -0.0057 0.0323  0.0187  219 TYR A CD1 
127  C CD2 . TYR A 43  ? 0.3114 0.6060 0.2921 -0.0025 0.0315  0.0181  219 TYR A CD2 
128  C CE1 . TYR A 43  ? 0.3032 0.6143 0.2867 -0.0125 0.0342  0.0124  219 TYR A CE1 
129  C CE2 . TYR A 43  ? 0.2943 0.5931 0.2798 -0.0100 0.0336  0.0111  219 TYR A CE2 
130  C CZ  . TYR A 43  ? 0.2968 0.6047 0.2839 -0.0148 0.0345  0.0084  219 TYR A CZ  
131  O OH  . TYR A 43  ? 0.2837 0.5998 0.2762 -0.0223 0.0360  0.0013  219 TYR A OH  
132  N N   . GLY A 44  ? 0.3753 0.6519 0.3400 -0.0052 0.0479  0.0348  220 GLY A N   
133  C CA  . GLY A 44  ? 0.3844 0.6645 0.3494 -0.0131 0.0536  0.0328  220 GLY A CA  
134  C C   . GLY A 44  ? 0.3913 0.6791 0.3656 -0.0218 0.0542  0.0225  220 GLY A C   
135  O O   . GLY A 44  ? 0.3408 0.6213 0.3197 -0.0255 0.0563  0.0182  220 GLY A O   
136  N N   . GLU A 45  ? 0.3844 0.6884 0.3618 -0.0248 0.0525  0.0182  221 GLU A N   
137  C CA  . GLU A 45  ? 0.3378 0.6547 0.3246 -0.0322 0.0522  0.0090  221 GLU A CA  
138  C C   . GLU A 45  ? 0.2895 0.6252 0.2804 -0.0282 0.0447  0.0053  221 GLU A C   
139  O O   . GLU A 45  ? 0.2598 0.5995 0.2469 -0.0223 0.0421  0.0083  221 GLU A O   
140  C CB  . GLU A 45  ? 0.3779 0.6970 0.3674 -0.0417 0.0605  0.0073  221 GLU A CB  
141  C CG  . GLU A 45  ? 0.4241 0.7260 0.4143 -0.0496 0.0691  0.0067  221 GLU A CG  
142  C CD  . GLU A 45  ? 0.4915 0.7911 0.4823 -0.0588 0.0791  0.0079  221 GLU A CD  
143  O OE1 . GLU A 45  ? 0.5123 0.8312 0.5093 -0.0642 0.0792  0.0027  221 GLU A OE1 
144  O OE2 . GLU A 45  ? 0.5485 0.8274 0.5342 -0.0602 0.0873  0.0147  221 GLU A OE2 
145  N N   . VAL A 46  ? 0.2684 0.6160 0.2670 -0.0317 0.0420  -0.0013 222 VAL A N   
146  C CA  . VAL A 46  ? 0.2608 0.6273 0.2651 -0.0282 0.0364  -0.0041 222 VAL A CA  
147  C C   . VAL A 46  ? 0.2659 0.6495 0.2787 -0.0364 0.0395  -0.0102 222 VAL A C   
148  O O   . VAL A 46  ? 0.2670 0.6509 0.2829 -0.0446 0.0421  -0.0150 222 VAL A O   
149  C CB  . VAL A 46  ? 0.2757 0.6451 0.2815 -0.0229 0.0292  -0.0047 222 VAL A CB  
150  C CG1 . VAL A 46  ? 0.2781 0.6618 0.2883 -0.0165 0.0242  -0.0046 222 VAL A CG1 
151  C CG2 . VAL A 46  ? 0.2967 0.6501 0.2957 -0.0174 0.0272  0.0000  222 VAL A CG2 
152  N N   . TRP A 47  ? 0.2516 0.6498 0.2685 -0.0347 0.0398  -0.0107 223 TRP A N   
153  C CA  . TRP A 47  ? 0.2317 0.6513 0.2585 -0.0411 0.0419  -0.0163 223 TRP A CA  
154  C C   . TRP A 47  ? 0.2165 0.6565 0.2506 -0.0330 0.0353  -0.0171 223 TRP A C   
155  O O   . TRP A 47  ? 0.1930 0.6288 0.2244 -0.0231 0.0319  -0.0134 223 TRP A O   
156  C CB  . TRP A 47  ? 0.2490 0.6705 0.2760 -0.0460 0.0499  -0.0157 223 TRP A CB  
157  C CG  . TRP A 47  ? 0.2612 0.6656 0.2837 -0.0558 0.0580  -0.0149 223 TRP A CG  
158  C CD1 . TRP A 47  ? 0.2768 0.6568 0.2889 -0.0535 0.0602  -0.0087 223 TRP A CD1 
159  C CD2 . TRP A 47  ? 0.2829 0.6926 0.3119 -0.0692 0.0655  -0.0201 223 TRP A CD2 
160  N NE1 . TRP A 47  ? 0.2932 0.6603 0.3045 -0.0635 0.0691  -0.0086 223 TRP A NE1 
161  C CE2 . TRP A 47  ? 0.2970 0.6808 0.3185 -0.0742 0.0729  -0.0162 223 TRP A CE2 
162  C CE3 . TRP A 47  ? 0.2834 0.7180 0.3244 -0.0776 0.0671  -0.0279 223 TRP A CE3 
163  C CZ2 . TRP A 47  ? 0.3181 0.6967 0.3436 -0.0881 0.0827  -0.0200 223 TRP A CZ2 
164  C CZ3 . TRP A 47  ? 0.2892 0.7217 0.3345 -0.0925 0.0762  -0.0327 223 TRP A CZ3 
165  C CH2 . TRP A 47  ? 0.3102 0.7133 0.3477 -0.0980 0.0843  -0.0289 223 TRP A CH2 
166  N N   . ARG A 48  ? 0.2120 0.6743 0.2556 -0.0373 0.0338  -0.0221 224 ARG A N   
167  C CA  . ARG A 48  ? 0.2030 0.6886 0.2555 -0.0295 0.0294  -0.0220 224 ARG A CA  
168  C C   . ARG A 48  ? 0.2006 0.6980 0.2588 -0.0329 0.0356  -0.0243 224 ARG A C   
169  O O   . ARG A 48  ? 0.2189 0.7201 0.2796 -0.0447 0.0413  -0.0285 224 ARG A O   
170  C CB  . ARG A 48  ? 0.2011 0.7103 0.2614 -0.0321 0.0246  -0.0258 224 ARG A CB  
171  C CG  . ARG A 48  ? 0.1925 0.7294 0.2636 -0.0233 0.0204  -0.0246 224 ARG A CG  
172  C CD  . ARG A 48  ? 0.1810 0.7407 0.2568 -0.0241 0.0140  -0.0264 224 ARG A CD  
173  N NE  . ARG A 48  ? 0.1870 0.7655 0.2691 -0.0383 0.0171  -0.0354 224 ARG A NE  
174  C CZ  . ARG A 48  ? 0.1737 0.7811 0.2680 -0.0410 0.0184  -0.0393 224 ARG A CZ  
175  N NH1 . ARG A 48  ? 0.1646 0.7862 0.2664 -0.0288 0.0168  -0.0346 224 ARG A NH1 
176  N NH2 . ARG A 48  ? 0.1770 0.7991 0.2767 -0.0561 0.0219  -0.0486 224 ARG A NH2 
177  N N   . GLY A 49  ? 0.1904 0.6922 0.2507 -0.0230 0.0353  -0.0218 225 GLY A N   
178  C CA  . GLY A 49  ? 0.1939 0.7122 0.2614 -0.0245 0.0409  -0.0243 225 GLY A CA  
179  C C   . GLY A 49  ? 0.1873 0.7242 0.2644 -0.0121 0.0372  -0.0236 225 GLY A C   
180  O O   . GLY A 49  ? 0.1692 0.7045 0.2467 -0.0032 0.0308  -0.0204 225 GLY A O   
181  N N   . SER A 50  ? 0.2060 0.7606 0.2912 -0.0113 0.0422  -0.0262 226 SER A N   
182  C CA  . SER A 50  ? 0.2073 0.7803 0.3033 0.0015  0.0404  -0.0257 226 SER A CA  
183  C C   . SER A 50  ? 0.2174 0.7830 0.3102 0.0066  0.0467  -0.0266 226 SER A C   
184  O O   . SER A 50  ? 0.2116 0.7724 0.2988 -0.0022 0.0534  -0.0284 226 SER A O   
185  C CB  . SER A 50  ? 0.2155 0.8252 0.3276 -0.0021 0.0406  -0.0296 226 SER A CB  
186  O OG  . SER A 50  ? 0.2189 0.8469 0.3424 0.0115  0.0403  -0.0287 226 SER A OG  
187  N N   . TRP A 51  ? 0.2250 0.7905 0.3218 0.0209  0.0451  -0.0254 227 TRP A N   
188  C CA  . TRP A 51  ? 0.2522 0.8096 0.3456 0.0273  0.0507  -0.0276 227 TRP A CA  
189  C C   . TRP A 51  ? 0.2600 0.8298 0.3662 0.0429  0.0495  -0.0274 227 TRP A C   
190  O O   . TRP A 51  ? 0.2614 0.8233 0.3691 0.0514  0.0437  -0.0230 227 TRP A O   
191  C CB  . TRP A 51  ? 0.2726 0.7977 0.3496 0.0278  0.0493  -0.0260 227 TRP A CB  
192  C CG  . TRP A 51  ? 0.3048 0.8223 0.3775 0.0344  0.0544  -0.0299 227 TRP A CG  
193  C CD1 . TRP A 51  ? 0.3139 0.8366 0.3822 0.0302  0.0621  -0.0338 227 TRP A CD1 
194  C CD2 . TRP A 51  ? 0.3338 0.8383 0.4067 0.0461  0.0531  -0.0311 227 TRP A CD2 
195  N NE1 . TRP A 51  ? 0.3226 0.8375 0.3875 0.0386  0.0652  -0.0383 227 TRP A NE1 
196  C CE2 . TRP A 51  ? 0.3350 0.8378 0.4033 0.0481  0.0600  -0.0373 227 TRP A CE2 
197  C CE3 . TRP A 51  ? 0.3464 0.8399 0.4228 0.0545  0.0475  -0.0276 227 TRP A CE3 
198  C CZ2 . TRP A 51  ? 0.3592 0.8487 0.4265 0.0577  0.0614  -0.0417 227 TRP A CZ2 
199  C CZ3 . TRP A 51  ? 0.3537 0.8327 0.4299 0.0641  0.0494  -0.0307 227 TRP A CZ3 
200  C CH2 . TRP A 51  ? 0.3464 0.8232 0.4184 0.0653  0.0563  -0.0385 227 TRP A CH2 
201  N N   . GLN A 52  ? 0.2805 0.8694 0.3963 0.0470  0.0558  -0.0316 228 GLN A N   
202  C CA  . GLN A 52  ? 0.3043 0.9094 0.4354 0.0625  0.0557  -0.0311 228 GLN A CA  
203  C C   . GLN A 52  ? 0.2763 0.8993 0.4184 0.0672  0.0477  -0.0252 228 GLN A C   
204  O O   . GLN A 52  ? 0.2535 0.8729 0.4010 0.0813  0.0443  -0.0202 228 GLN A O   
205  C CB  . GLN A 52  ? 0.3368 0.9165 0.4626 0.0742  0.0573  -0.0318 228 GLN A CB  
206  C CG  . GLN A 52  ? 0.3875 0.9591 0.5046 0.0709  0.0658  -0.0392 228 GLN A CG  
207  C CD  . GLN A 52  ? 0.4325 0.9824 0.5459 0.0818  0.0685  -0.0429 228 GLN A CD  
208  O OE1 . GLN A 52  ? 0.4514 0.9888 0.5690 0.0918  0.0648  -0.0393 228 GLN A OE1 
209  N NE2 . GLN A 52  ? 0.5029 1.0483 0.6082 0.0794  0.0758  -0.0505 228 GLN A NE2 
210  N N   . GLY A 53  ? 0.2592 0.9007 0.4036 0.0547  0.0452  -0.0257 229 GLY A N   
211  C CA  . GLY A 53  ? 0.2669 0.9300 0.4201 0.0564  0.0374  -0.0215 229 GLY A CA  
212  C C   . GLY A 53  ? 0.2800 0.9233 0.4241 0.0591  0.0296  -0.0149 229 GLY A C   
213  O O   . GLY A 53  ? 0.2839 0.9461 0.4347 0.0632  0.0231  -0.0104 229 GLY A O   
214  N N   . GLU A 54  ? 0.3243 0.9323 0.4532 0.0564  0.0302  -0.0142 230 GLU A N   
215  C CA  . GLU A 54  ? 0.3260 0.9134 0.4460 0.0587  0.0240  -0.0082 230 GLU A CA  
216  C C   . GLU A 54  ? 0.3021 0.8734 0.4089 0.0435  0.0235  -0.0106 230 GLU A C   
217  O O   . GLU A 54  ? 0.2870 0.8478 0.3873 0.0353  0.0289  -0.0151 230 GLU A O   
218  C CB  . GLU A 54  ? 0.3890 0.9477 0.5036 0.0690  0.0260  -0.0060 230 GLU A CB  
219  C CG  . GLU A 54  ? 0.4377 1.0047 0.5648 0.0863  0.0271  -0.0023 230 GLU A CG  
220  C CD  . GLU A 54  ? 0.4866 1.0585 0.6174 0.0949  0.0204  0.0075  230 GLU A CD  
221  O OE1 . GLU A 54  ? 0.5324 1.0796 0.6536 0.0946  0.0178  0.0117  230 GLU A OE1 
222  O OE2 . GLU A 54  ? 0.5784 1.1805 0.7215 0.1016  0.0177  0.0112  230 GLU A OE2 
223  N N   . ASN A 55  ? 0.2712 0.8396 0.3735 0.0403  0.0174  -0.0071 231 ASN A N   
224  C CA  . ASN A 55  ? 0.2663 0.8179 0.3568 0.0272  0.0175  -0.0095 231 ASN A CA  
225  C C   . ASN A 55  ? 0.2251 0.7440 0.3039 0.0294  0.0192  -0.0080 231 ASN A C   
226  O O   . ASN A 55  ? 0.2291 0.7371 0.3080 0.0401  0.0178  -0.0043 231 ASN A O   
227  C CB  . ASN A 55  ? 0.2951 0.8525 0.3834 0.0232  0.0113  -0.0075 231 ASN A CB  
228  C CG  . ASN A 55  ? 0.3200 0.9095 0.4171 0.0149  0.0103  -0.0123 231 ASN A CG  
229  O OD1 . ASN A 55  ? 0.2931 0.8878 0.3915 0.0029  0.0151  -0.0191 231 ASN A OD1 
230  N ND2 . ASN A 55  ? 0.3505 0.9623 0.4535 0.0206  0.0041  -0.0089 231 ASN A ND2 
231  N N   . VAL A 56  ? 0.1835 0.6879 0.2528 0.0190  0.0224  -0.0110 232 VAL A N   
232  C CA  . VAL A 56  ? 0.1735 0.6503 0.2310 0.0194  0.0231  -0.0097 232 VAL A CA  
233  C C   . VAL A 56  ? 0.1680 0.6335 0.2169 0.0087  0.0229  -0.0099 232 VAL A C   
234  O O   . VAL A 56  ? 0.1810 0.6572 0.2324 -0.0004 0.0252  -0.0128 232 VAL A O   
235  C CB  . VAL A 56  ? 0.1615 0.6328 0.2157 0.0203  0.0291  -0.0129 232 VAL A CB  
236  C CG1 . VAL A 56  ? 0.1677 0.6472 0.2306 0.0318  0.0302  -0.0137 232 VAL A CG1 
237  C CG2 . VAL A 56  ? 0.1494 0.6304 0.2035 0.0105  0.0349  -0.0159 232 VAL A CG2 
238  N N   . ALA A 57  ? 0.1601 0.6044 0.1998 0.0098  0.0209  -0.0074 233 ALA A N   
239  C CA  . ALA A 57  ? 0.1555 0.5856 0.1864 0.0016  0.0222  -0.0072 233 ALA A CA  
240  C C   . ALA A 57  ? 0.1622 0.5811 0.1852 0.0004  0.0268  -0.0073 233 ALA A C   
241  O O   . ALA A 57  ? 0.1633 0.5774 0.1839 0.0066  0.0266  -0.0073 233 ALA A O   
242  C CB  . ALA A 57  ? 0.1479 0.5650 0.1742 0.0039  0.0175  -0.0042 233 ALA A CB  
243  N N   . VAL A 58  ? 0.1757 0.5913 0.1948 -0.0079 0.0315  -0.0074 234 VAL A N   
244  C CA  . VAL A 58  ? 0.1968 0.6024 0.2069 -0.0095 0.0361  -0.0055 234 VAL A CA  
245  C C   . VAL A 58  ? 0.2027 0.5911 0.2050 -0.0128 0.0359  -0.0018 234 VAL A C   
246  O O   . VAL A 58  ? 0.2056 0.5922 0.2098 -0.0200 0.0388  -0.0023 234 VAL A O   
247  C CB  . VAL A 58  ? 0.2224 0.6387 0.2352 -0.0161 0.0435  -0.0072 234 VAL A CB  
248  C CG1 . VAL A 58  ? 0.2407 0.6466 0.2420 -0.0175 0.0488  -0.0034 234 VAL A CG1 
249  C CG2 . VAL A 58  ? 0.2204 0.6565 0.2427 -0.0116 0.0439  -0.0111 234 VAL A CG2 
250  N N   . LYS A 59  ? 0.1926 0.5695 0.1874 -0.0075 0.0327  0.0010  235 LYS A N   
251  C CA  . LYS A 59  ? 0.1971 0.5591 0.1846 -0.0086 0.0327  0.0054  235 LYS A CA  
252  C C   . LYS A 59  ? 0.2216 0.5785 0.2001 -0.0098 0.0381  0.0097  235 LYS A C   
253  O O   . LYS A 59  ? 0.2081 0.5685 0.1810 -0.0058 0.0376  0.0098  235 LYS A O   
254  C CB  . LYS A 59  ? 0.1841 0.5399 0.1691 -0.0023 0.0263  0.0064  235 LYS A CB  
255  C CG  . LYS A 59  ? 0.1921 0.5353 0.1716 -0.0020 0.0257  0.0110  235 LYS A CG  
256  C CD  . LYS A 59  ? 0.1790 0.5199 0.1592 0.0027  0.0194  0.0108  235 LYS A CD  
257  C CE  . LYS A 59  ? 0.1835 0.5149 0.1589 0.0044  0.0187  0.0154  235 LYS A CE  
258  N NZ  . LYS A 59  ? 0.1733 0.5058 0.1500 0.0084  0.0128  0.0145  235 LYS A NZ  
259  N N   . ILE A 60  ? 0.2484 0.5968 0.2250 -0.0155 0.0437  0.0130  236 ILE A N   
260  C CA  . ILE A 60  ? 0.2706 0.6116 0.2382 -0.0171 0.0501  0.0195  236 ILE A CA  
261  C C   . ILE A 60  ? 0.2827 0.6084 0.2433 -0.0130 0.0487  0.0264  236 ILE A C   
262  O O   . ILE A 60  ? 0.3160 0.6315 0.2800 -0.0156 0.0503  0.0268  236 ILE A O   
263  C CB  . ILE A 60  ? 0.2786 0.6182 0.2504 -0.0269 0.0589  0.0191  236 ILE A CB  
264  C CG1 . ILE A 60  ? 0.2729 0.6320 0.2545 -0.0308 0.0596  0.0116  236 ILE A CG1 
265  C CG2 . ILE A 60  ? 0.2982 0.6275 0.2600 -0.0285 0.0668  0.0279  236 ILE A CG2 
266  C CD1 . ILE A 60  ? 0.2872 0.6498 0.2741 -0.0417 0.0685  0.0099  236 ILE A CD1 
267  N N   . PHE A 61  ? 0.2874 0.6131 0.2387 -0.0065 0.0460  0.0313  237 PHE A N   
268  C CA  . PHE A 61  ? 0.2993 0.6156 0.2456 -0.0006 0.0427  0.0374  237 PHE A CA  
269  C C   . PHE A 61  ? 0.3232 0.6257 0.2627 -0.0005 0.0498  0.0478  237 PHE A C   
270  O O   . PHE A 61  ? 0.3248 0.6275 0.2575 -0.0024 0.0558  0.0529  237 PHE A O   
271  C CB  . PHE A 61  ? 0.2818 0.6072 0.2214 0.0060  0.0361  0.0376  237 PHE A CB  
272  C CG  . PHE A 61  ? 0.2526 0.5855 0.1988 0.0076  0.0289  0.0292  237 PHE A CG  
273  C CD1 . PHE A 61  ? 0.2527 0.5941 0.2047 0.0052  0.0289  0.0217  237 PHE A CD1 
274  C CD2 . PHE A 61  ? 0.2485 0.5805 0.1957 0.0119  0.0226  0.0295  237 PHE A CD2 
275  C CE1 . PHE A 61  ? 0.2476 0.5933 0.2057 0.0074  0.0231  0.0153  237 PHE A CE1 
276  C CE2 . PHE A 61  ? 0.2351 0.5725 0.1883 0.0126  0.0171  0.0225  237 PHE A CE2 
277  C CZ  . PHE A 61  ? 0.2452 0.5880 0.2034 0.0106  0.0175  0.0158  237 PHE A CZ  
278  N N   . SER A 62  ? 0.3322 0.6225 0.2733 0.0025  0.0494  0.0514  238 SER A N   
279  C CA  . SER A 62  ? 0.3580 0.6329 0.2933 0.0053  0.0559  0.0626  238 SER A CA  
280  C C   . SER A 62  ? 0.3770 0.6589 0.3007 0.0136  0.0529  0.0718  238 SER A C   
281  O O   . SER A 62  ? 0.3405 0.6379 0.2620 0.0171  0.0447  0.0676  238 SER A O   
282  C CB  . SER A 62  ? 0.3497 0.6124 0.2904 0.0089  0.0551  0.0632  238 SER A CB  
283  O OG  . SER A 62  ? 0.3171 0.5908 0.2587 0.0157  0.0455  0.0611  238 SER A OG  
284  N N   . SER A 63  ? 0.4292 0.6997 0.3451 0.0165  0.0598  0.0843  239 SER A N   
285  C CA  . SER A 63  ? 0.4838 0.7631 0.3870 0.0250  0.0571  0.0948  239 SER A CA  
286  C C   . SER A 63  ? 0.5178 0.8039 0.4226 0.0341  0.0478  0.0953  239 SER A C   
287  O O   . SER A 63  ? 0.5800 0.8844 0.4796 0.0380  0.0400  0.0935  239 SER A O   
288  C CB  . SER A 63  ? 0.5120 0.7773 0.4059 0.0272  0.0672  0.1105  239 SER A CB  
289  O OG  . SER A 63  ? 0.5449 0.7861 0.4455 0.0259  0.0752  0.1145  239 SER A OG  
290  N N   . ARG A 64  ? 0.5460 0.8193 0.4596 0.0363  0.0485  0.0952  240 ARG A N   
291  C CA  . ARG A 64  ? 0.5902 0.8716 0.5070 0.0445  0.0402  0.0952  240 ARG A CA  
292  C C   . ARG A 64  ? 0.5468 0.8476 0.4671 0.0420  0.0303  0.0831  240 ARG A C   
293  O O   . ARG A 64  ? 0.5508 0.8656 0.4698 0.0481  0.0228  0.0839  240 ARG A O   
294  C CB  . ARG A 64  ? 0.6376 0.9022 0.5643 0.0464  0.0436  0.0951  240 ARG A CB  
295  C CG  . ARG A 64  ? 0.6420 0.9062 0.5799 0.0390  0.0416  0.0811  240 ARG A CG  
296  C CD  . ARG A 64  ? 0.7048 0.9797 0.6490 0.0442  0.0333  0.0768  240 ARG A CD  
297  N NE  . ARG A 64  ? 0.7350 1.0085 0.6886 0.0371  0.0326  0.0650  240 ARG A NE  
298  C CZ  . ARG A 64  ? 0.7454 1.0234 0.7063 0.0391  0.0284  0.0602  240 ARG A CZ  
299  N NH1 . ARG A 64  ? 0.7677 1.0529 0.7298 0.0479  0.0242  0.0652  240 ARG A NH1 
300  N NH2 . ARG A 64  ? 0.7535 1.0308 0.7209 0.0323  0.0284  0.0505  240 ARG A NH2 
301  N N   . ASP A 65  ? 0.5149 0.8172 0.4399 0.0333  0.0307  0.0722  241 ASP A N   
302  C CA  . ASP A 65  ? 0.4724 0.7891 0.4017 0.0312  0.0228  0.0613  241 ASP A CA  
303  C C   . ASP A 65  ? 0.4125 0.7423 0.3356 0.0284  0.0210  0.0564  241 ASP A C   
304  O O   . ASP A 65  ? 0.3360 0.6730 0.2643 0.0252  0.0170  0.0463  241 ASP A O   
305  C CB  . ASP A 65  ? 0.5281 0.8389 0.4688 0.0257  0.0230  0.0525  241 ASP A CB  
306  C CG  . ASP A 65  ? 0.6521 0.9661 0.5996 0.0289  0.0171  0.0496  241 ASP A CG  
307  O OD1 . ASP A 65  ? 0.7656 1.0927 0.7120 0.0314  0.0105  0.0473  241 ASP A OD1 
308  O OD2 . ASP A 65  ? 0.6502 0.9548 0.6044 0.0284  0.0194  0.0489  241 ASP A OD2 
309  N N   . GLU A 66  ? 0.4270 0.7604 0.3386 0.0304  0.0241  0.0638  242 GLU A N   
310  C CA  . GLU A 66  ? 0.3880 0.7338 0.2936 0.0272  0.0240  0.0579  242 GLU A CA  
311  C C   . GLU A 66  ? 0.3554 0.7175 0.2594 0.0288  0.0157  0.0496  242 GLU A C   
312  O O   . GLU A 66  ? 0.3138 0.6829 0.2181 0.0251  0.0154  0.0399  242 GLU A O   
313  C CB  . GLU A 66  ? 0.4363 0.7822 0.3301 0.0269  0.0310  0.0664  242 GLU A CB  
314  C CG  . GLU A 66  ? 0.5095 0.8536 0.3921 0.0336  0.0332  0.0816  242 GLU A CG  
315  C CD  . GLU A 66  ? 0.5715 0.9113 0.4449 0.0305  0.0430  0.0895  242 GLU A CD  
316  O OE1 . GLU A 66  ? 0.5684 0.9230 0.4316 0.0296  0.0432  0.0877  242 GLU A OE1 
317  O OE2 . GLU A 66  ? 0.6156 0.9369 0.4922 0.0282  0.0512  0.0966  242 GLU A OE2 
318  N N   . LYS A 67  ? 0.3297 0.6977 0.2339 0.0339  0.0094  0.0523  243 LYS A N   
319  C CA  . LYS A 67  ? 0.3212 0.7049 0.2259 0.0337  0.0016  0.0430  243 LYS A CA  
320  C C   . LYS A 67  ? 0.2791 0.6583 0.1961 0.0287  -0.0001 0.0312  243 LYS A C   
321  O O   . LYS A 67  ? 0.2567 0.6442 0.1741 0.0258  -0.0030 0.0210  243 LYS A O   
322  C CB  . LYS A 67  ? 0.3544 0.7475 0.2591 0.0398  -0.0047 0.0484  243 LYS A CB  
323  C CG  . LYS A 67  ? 0.4115 0.8168 0.3026 0.0461  -0.0056 0.0589  243 LYS A CG  
324  C CD  . LYS A 67  ? 0.4558 0.8821 0.3378 0.0436  -0.0099 0.0503  243 LYS A CD  
325  C CE  . LYS A 67  ? 0.4867 0.9332 0.3708 0.0452  -0.0192 0.0453  243 LYS A CE  
326  N NZ  . LYS A 67  ? 0.5241 0.9840 0.3999 0.0546  -0.0223 0.0595  243 LYS A NZ  
327  N N   . SER A 68  ? 0.2778 0.6438 0.2044 0.0278  0.0019  0.0328  244 SER A N   
328  C CA  . SER A 68  ? 0.2617 0.6233 0.1992 0.0238  0.0008  0.0239  244 SER A CA  
329  C C   . SER A 68  ? 0.2397 0.6014 0.1773 0.0200  0.0042  0.0170  244 SER A C   
330  O O   . SER A 68  ? 0.2182 0.5832 0.1596 0.0182  0.0022  0.0079  244 SER A O   
331  C CB  . SER A 68  ? 0.2681 0.6177 0.2139 0.0235  0.0029  0.0273  244 SER A CB  
332  O OG  . SER A 68  ? 0.2868 0.6382 0.2361 0.0267  -0.0010 0.0299  244 SER A OG  
333  N N   . TRP A 69  ? 0.2436 0.6019 0.1770 0.0191  0.0101  0.0212  245 TRP A N   
334  C CA  . TRP A 69  ? 0.2424 0.6040 0.1760 0.0164  0.0139  0.0151  245 TRP A CA  
335  C C   . TRP A 69  ? 0.2549 0.6276 0.1816 0.0170  0.0119  0.0082  245 TRP A C   
336  O O   . TRP A 69  ? 0.2561 0.6306 0.1876 0.0158  0.0124  -0.0011 245 TRP A O   
337  C CB  . TRP A 69  ? 0.2387 0.5976 0.1677 0.0146  0.0210  0.0213  245 TRP A CB  
338  C CG  . TRP A 69  ? 0.2340 0.5995 0.1621 0.0122  0.0257  0.0161  245 TRP A CG  
339  C CD1 . TRP A 69  ? 0.2304 0.5961 0.1682 0.0094  0.0291  0.0115  245 TRP A CD1 
340  C CD2 . TRP A 69  ? 0.2373 0.6127 0.1544 0.0129  0.0281  0.0153  245 TRP A CD2 
341  N NE1 . TRP A 69  ? 0.2324 0.6072 0.1665 0.0086  0.0338  0.0078  245 TRP A NE1 
342  C CE2 . TRP A 69  ? 0.2381 0.6183 0.1591 0.0104  0.0336  0.0097  245 TRP A CE2 
343  C CE3 . TRP A 69  ? 0.2494 0.6324 0.1534 0.0155  0.0262  0.0187  245 TRP A CE3 
344  C CZ2 . TRP A 69  ? 0.2464 0.6374 0.1585 0.0103  0.0377  0.0067  245 TRP A CZ2 
345  C CZ3 . TRP A 69  ? 0.2591 0.6534 0.1529 0.0151  0.0298  0.0158  245 TRP A CZ3 
346  C CH2 . TRP A 69  ? 0.2530 0.6505 0.1509 0.0123  0.0359  0.0097  245 TRP A CH2 
347  N N   . PHE A 70  ? 0.2677 0.6485 0.1833 0.0193  0.0099  0.0125  246 PHE A N   
348  C CA  . PHE A 70  ? 0.2719 0.6657 0.1799 0.0190  0.0076  0.0045  246 PHE A CA  
349  C C   . PHE A 70  ? 0.2724 0.6675 0.1883 0.0173  0.0024  -0.0065 246 PHE A C   
350  O O   . PHE A 70  ? 0.2678 0.6649 0.1854 0.0152  0.0038  -0.0175 246 PHE A O   
351  C CB  . PHE A 70  ? 0.3009 0.7063 0.1953 0.0223  0.0053  0.0122  246 PHE A CB  
352  C CG  . PHE A 70  ? 0.3183 0.7404 0.2030 0.0213  0.0029  0.0032  246 PHE A CG  
353  C CD1 . PHE A 70  ? 0.3220 0.7481 0.2017 0.0190  0.0083  -0.0041 246 PHE A CD1 
354  C CD2 . PHE A 70  ? 0.3341 0.7699 0.2153 0.0222  -0.0045 0.0007  246 PHE A CD2 
355  C CE1 . PHE A 70  ? 0.3313 0.7729 0.2018 0.0175  0.0067  -0.0145 246 PHE A CE1 
356  C CE2 . PHE A 70  ? 0.3373 0.7903 0.2092 0.0201  -0.0066 -0.0096 246 PHE A CE2 
357  C CZ  . PHE A 70  ? 0.3451 0.8000 0.2114 0.0176  -0.0008 -0.0176 246 PHE A CZ  
358  N N   . ARG A 71  ? 0.2838 0.6775 0.2051 0.0182  -0.0027 -0.0037 247 ARG A N   
359  C CA  . ARG A 71  ? 0.3099 0.7040 0.2397 0.0155  -0.0070 -0.0129 247 ARG A CA  
360  C C   . ARG A 71  ? 0.2773 0.6589 0.2182 0.0134  -0.0039 -0.0192 247 ARG A C   
361  O O   . ARG A 71  ? 0.2459 0.6265 0.1913 0.0108  -0.0041 -0.0296 247 ARG A O   
362  C CB  . ARG A 71  ? 0.3635 0.7578 0.2983 0.0172  -0.0115 -0.0063 247 ARG A CB  
363  C CG  . ARG A 71  ? 0.4447 0.8381 0.3902 0.0138  -0.0152 -0.0136 247 ARG A CG  
364  C CD  . ARG A 71  ? 0.5044 0.9090 0.4479 0.0094  -0.0179 -0.0260 247 ARG A CD  
365  N NE  . ARG A 71  ? 0.5500 0.9580 0.5030 0.0055  -0.0220 -0.0309 247 ARG A NE  
366  C CZ  . ARG A 71  ? 0.6208 1.0365 0.5753 -0.0004 -0.0240 -0.0433 247 ARG A CZ  
367  N NH1 . ARG A 71  ? 0.6646 1.0834 0.6287 -0.0048 -0.0269 -0.0470 247 ARG A NH1 
368  N NH2 . ARG A 71  ? 0.6405 1.0618 0.5873 -0.0027 -0.0225 -0.0529 247 ARG A NH2 
369  N N   . GLU A 72  ? 0.2646 0.6370 0.2102 0.0147  -0.0006 -0.0127 248 GLU A N   
370  C CA  . GLU A 72  ? 0.2745 0.6379 0.2304 0.0141  0.0018  -0.0165 248 GLU A CA  
371  C C   . GLU A 72  ? 0.2790 0.6442 0.2336 0.0144  0.0063  -0.0237 248 GLU A C   
372  O O   . GLU A 72  ? 0.2658 0.6262 0.2274 0.0144  0.0074  -0.0311 248 GLU A O   
373  C CB  . GLU A 72  ? 0.2734 0.6304 0.2343 0.0149  0.0033  -0.0084 248 GLU A CB  
374  C CG  . GLU A 72  ? 0.2845 0.6351 0.2560 0.0151  0.0043  -0.0107 248 GLU A CG  
375  C CD  . GLU A 72  ? 0.2738 0.6206 0.2502 0.0149  0.0045  -0.0042 248 GLU A CD  
376  O OE1 . GLU A 72  ? 0.2709 0.6142 0.2552 0.0154  0.0037  -0.0045 248 GLU A OE1 
377  O OE2 . GLU A 72  ? 0.2917 0.6388 0.2637 0.0143  0.0058  0.0012  248 GLU A OE2 
378  N N   . THR A 73  ? 0.2926 0.6648 0.2381 0.0149  0.0095  -0.0215 249 THR A N   
379  C CA  . THR A 73  ? 0.2983 0.6754 0.2412 0.0152  0.0143  -0.0291 249 THR A CA  
380  C C   . THR A 73  ? 0.3290 0.7090 0.2697 0.0140  0.0128  -0.0409 249 THR A C   
381  O O   . THR A 73  ? 0.3199 0.6958 0.2666 0.0147  0.0162  -0.0498 249 THR A O   
382  C CB  . THR A 73  ? 0.2894 0.6752 0.2207 0.0151  0.0179  -0.0244 249 THR A CB  
383  O OG1 . THR A 73  ? 0.2622 0.6436 0.1962 0.0148  0.0202  -0.0143 249 THR A OG1 
384  C CG2 . THR A 73  ? 0.3125 0.7045 0.2419 0.0155  0.0237  -0.0328 249 THR A CG2 
385  N N   . GLU A 74  ? 0.3606 0.7485 0.2929 0.0122  0.0082  -0.0412 250 GLU A N   
386  C CA  . GLU A 74  ? 0.3993 0.7923 0.3298 0.0090  0.0057  -0.0533 250 GLU A CA  
387  C C   . GLU A 74  ? 0.3796 0.7594 0.3238 0.0074  0.0054  -0.0597 250 GLU A C   
388  O O   . GLU A 74  ? 0.3807 0.7562 0.3281 0.0058  0.0085  -0.0716 250 GLU A O   
389  C CB  . GLU A 74  ? 0.4449 0.8506 0.3673 0.0077  -0.0009 -0.0498 250 GLU A CB  
390  C CG  . GLU A 74  ? 0.5112 0.9247 0.4337 0.0027  -0.0047 -0.0628 250 GLU A CG  
391  C CD  . GLU A 74  ? 0.5520 0.9788 0.4719 0.0019  -0.0123 -0.0583 250 GLU A CD  
392  O OE1 . GLU A 74  ? 0.5748 1.0110 0.4860 0.0061  -0.0145 -0.0465 250 GLU A OE1 
393  O OE2 . GLU A 74  ? 0.5427 0.9708 0.4700 -0.0030 -0.0155 -0.0667 250 GLU A OE2 
394  N N   . LEU A 75  ? 0.3697 0.7425 0.3216 0.0076  0.0023  -0.0517 251 LEU A N   
395  C CA  . LEU A 75  ? 0.4014 0.7622 0.3653 0.0057  0.0022  -0.0558 251 LEU A CA  
396  C C   . LEU A 75  ? 0.4174 0.7664 0.3888 0.0087  0.0082  -0.0594 251 LEU A C   
397  O O   . LEU A 75  ? 0.4028 0.7443 0.3789 0.0072  0.0112  -0.0698 251 LEU A O   
398  C CB  . LEU A 75  ? 0.4303 0.7868 0.4003 0.0064  -0.0012 -0.0450 251 LEU A CB  
399  C CG  . LEU A 75  ? 0.4530 0.8035 0.4319 0.0027  -0.0035 -0.0468 251 LEU A CG  
400  C CD1 . LEU A 75  ? 0.4695 0.8119 0.4555 0.0054  -0.0033 -0.0364 251 LEU A CD1 
401  C CD2 . LEU A 75  ? 0.4873 0.8285 0.4724 -0.0007 -0.0001 -0.0583 251 LEU A CD2 
402  N N   . TYR A 76  ? 0.4252 0.7736 0.3982 0.0131  0.0104  -0.0513 252 TYR A N   
403  C CA  . TYR A 76  ? 0.4521 0.7934 0.4330 0.0176  0.0156  -0.0527 252 TYR A CA  
404  C C   . TYR A 76  ? 0.5044 0.8472 0.4832 0.0187  0.0209  -0.0641 252 TYR A C   
405  O O   . TYR A 76  ? 0.5627 0.8969 0.5504 0.0229  0.0255  -0.0679 252 TYR A O   
406  C CB  . TYR A 76  ? 0.4481 0.7945 0.4299 0.0207  0.0167  -0.0432 252 TYR A CB  
407  C CG  . TYR A 76  ? 0.4260 0.7677 0.4142 0.0213  0.0137  -0.0339 252 TYR A CG  
408  C CD1 . TYR A 76  ? 0.4644 0.7963 0.4622 0.0231  0.0137  -0.0333 252 TYR A CD1 
409  C CD2 . TYR A 76  ? 0.4338 0.7806 0.4185 0.0199  0.0118  -0.0256 252 TYR A CD2 
410  C CE1 . TYR A 76  ? 0.5384 0.8680 0.5410 0.0236  0.0112  -0.0248 252 TYR A CE1 
411  C CE2 . TYR A 76  ? 0.5049 0.8484 0.4951 0.0200  0.0095  -0.0187 252 TYR A CE2 
412  C CZ  . TYR A 76  ? 0.5488 0.8851 0.5475 0.0218  0.0089  -0.0183 252 TYR A CZ  
413  O OH  . TYR A 76  ? 0.6387 0.9737 0.6418 0.0220  0.0069  -0.0115 252 TYR A OH  
414  N N   . ASN A 77  ? 0.5066 0.8610 0.4735 0.0159  0.0206  -0.0691 253 ASN A N   
415  C CA  . ASN A 77  ? 0.5068 0.8650 0.4695 0.0162  0.0257  -0.0815 253 ASN A CA  
416  C C   . ASN A 77  ? 0.5043 0.8596 0.4653 0.0112  0.0255  -0.0956 253 ASN A C   
417  O O   . ASN A 77  ? 0.5703 0.9282 0.5277 0.0109  0.0303  -0.1081 253 ASN A O   
418  C CB  . ASN A 77  ? 0.5518 0.9261 0.5013 0.0161  0.0267  -0.0785 253 ASN A CB  
419  C CG  . ASN A 77  ? 0.5423 0.9185 0.4962 0.0204  0.0307  -0.0700 253 ASN A CG  
420  O OD1 . ASN A 77  ? 0.5371 0.9173 0.4883 0.0199  0.0288  -0.0586 253 ASN A OD1 
421  N ND2 . ASN A 77  ? 0.5415 0.9144 0.5038 0.0248  0.0365  -0.0761 253 ASN A ND2 
422  N N   . THR A 78  ? 0.4676 0.8180 0.4321 0.0068  0.0205  -0.0947 254 THR A N   
423  C CA  . THR A 78  ? 0.4888 0.8369 0.4537 0.0001  0.0201  -0.1088 254 THR A CA  
424  C C   . THR A 78  ? 0.4890 0.8171 0.4682 -0.0014 0.0219  -0.1102 254 THR A C   
425  O O   . THR A 78  ? 0.5211 0.8390 0.5048 -0.0050 0.0264  -0.1237 254 THR A O   
426  C CB  . THR A 78  ? 0.4808 0.8464 0.4361 -0.0059 0.0125  -0.1087 254 THR A CB  
427  O OG1 . THR A 78  ? 0.4981 0.8628 0.4578 -0.0051 0.0071  -0.0950 254 THR A OG1 
428  C CG2 . THR A 78  ? 0.4931 0.8781 0.4330 -0.0043 0.0113  -0.1069 254 THR A CG2 
429  N N   . VAL A 79  ? 0.4591 0.7814 0.4451 0.0009  0.0190  -0.0965 255 VAL A N   
430  C CA  . VAL A 79  ? 0.4810 0.7859 0.4790 -0.0006 0.0204  -0.0949 255 VAL A CA  
431  C C   . VAL A 79  ? 0.4854 0.7775 0.4921 0.0081  0.0248  -0.0858 255 VAL A C   
432  O O   . VAL A 79  ? 0.4353 0.7348 0.4404 0.0133  0.0227  -0.0746 255 VAL A O   
433  C CB  . VAL A 79  ? 0.4796 0.7898 0.4786 -0.0044 0.0138  -0.0856 255 VAL A CB  
434  C CG1 . VAL A 79  ? 0.4935 0.7866 0.5045 -0.0068 0.0160  -0.0835 255 VAL A CG1 
435  C CG2 . VAL A 79  ? 0.4925 0.8200 0.4834 -0.0115 0.0083  -0.0926 255 VAL A CG2 
436  N N   . MET A 80  ? 0.5122 0.7855 0.5287 0.0095  0.0309  -0.0904 256 MET A N   
437  C CA  . MET A 80  ? 0.5549 0.8166 0.5809 0.0185  0.0344  -0.0798 256 MET A CA  
438  C C   . MET A 80  ? 0.5247 0.7827 0.5551 0.0178  0.0305  -0.0662 256 MET A C   
439  O O   . MET A 80  ? 0.5319 0.7758 0.5686 0.0139  0.0324  -0.0664 256 MET A O   
440  C CB  . MET A 80  ? 0.6396 0.8810 0.6746 0.0221  0.0431  -0.0875 256 MET A CB  
441  C CG  . MET A 80  ? 0.7000 0.9330 0.7445 0.0338  0.0465  -0.0750 256 MET A CG  
442  S SD  . MET A 80  ? 0.8084 1.0617 0.8509 0.0437  0.0443  -0.0659 256 MET A SD  
443  C CE  . MET A 80  ? 0.7554 1.0158 0.7925 0.0441  0.0496  -0.0825 256 MET A CE  
444  N N   . LEU A 81  ? 0.4957 0.7666 0.5227 0.0212  0.0258  -0.0551 257 LEU A N   
445  C CA  . LEU A 81  ? 0.5078 0.7801 0.5369 0.0210  0.0217  -0.0426 257 LEU A CA  
446  C C   . LEU A 81  ? 0.4933 0.7592 0.5299 0.0294  0.0240  -0.0316 257 LEU A C   
447  O O   . LEU A 81  ? 0.5114 0.7735 0.5510 0.0287  0.0226  -0.0228 257 LEU A O   
448  C CB  . LEU A 81  ? 0.5218 0.8115 0.5426 0.0199  0.0160  -0.0376 257 LEU A CB  
449  C CG  . LEU A 81  ? 0.5397 0.8389 0.5523 0.0128  0.0123  -0.0443 257 LEU A CG  
450  C CD1 . LEU A 81  ? 0.5378 0.8511 0.5413 0.0144  0.0107  -0.0437 257 LEU A CD1 
451  C CD2 . LEU A 81  ? 0.5500 0.8515 0.5632 0.0083  0.0079  -0.0389 257 LEU A CD2 
452  N N   . ARG A 82  ? 0.4776 0.7453 0.5172 0.0375  0.0275  -0.0318 258 ARG A N   
453  C CA  . ARG A 82  ? 0.4575 0.7261 0.5040 0.0471  0.0286  -0.0207 258 ARG A CA  
454  C C   . ARG A 82  ? 0.4090 0.6649 0.4613 0.0486  0.0294  -0.0110 258 ARG A C   
455  O O   . ARG A 82  ? 0.4110 0.6484 0.4682 0.0480  0.0344  -0.0140 258 ARG A O   
456  C CB  . ARG A 82  ? 0.5237 0.7891 0.5763 0.0560  0.0347  -0.0252 258 ARG A CB  
457  C CG  . ARG A 82  ? 0.5531 0.8315 0.6113 0.0662  0.0344  -0.0158 258 ARG A CG  
458  C CD  . ARG A 82  ? 0.6002 0.8668 0.6695 0.0780  0.0407  -0.0126 258 ARG A CD  
459  N NE  . ARG A 82  ? 0.7003 0.9581 0.7739 0.0814  0.0399  0.0005  258 ARG A NE  
460  C CZ  . ARG A 82  ? 0.7154 0.9502 0.7916 0.0796  0.0438  0.0019  258 ARG A CZ  
461  N NH1 . ARG A 82  ? 0.7224 0.9529 0.8013 0.0832  0.0430  0.0158  258 ARG A NH1 
462  N NH2 . ARG A 82  ? 0.7806 0.9977 0.8569 0.0738  0.0488  -0.0106 258 ARG A NH2 
463  N N   . HIS A 83  ? 0.3713 0.6370 0.4227 0.0502  0.0252  0.0005  259 HIS A N   
464  C CA  . HIS A 83  ? 0.3563 0.6129 0.4115 0.0517  0.0259  0.0112  259 HIS A CA  
465  C C   . HIS A 83  ? 0.3534 0.6279 0.4073 0.0564  0.0215  0.0219  259 HIS A C   
466  O O   . HIS A 83  ? 0.3436 0.6346 0.3927 0.0541  0.0175  0.0191  259 HIS A O   
467  C CB  . HIS A 83  ? 0.3552 0.6065 0.4067 0.0406  0.0242  0.0087  259 HIS A CB  
468  C CG  . HIS A 83  ? 0.3475 0.5905 0.4019 0.0404  0.0255  0.0196  259 HIS A CG  
469  N ND1 . HIS A 83  ? 0.3403 0.5955 0.3905 0.0386  0.0211  0.0280  259 HIS A ND1 
470  C CD2 . HIS A 83  ? 0.3737 0.5969 0.4342 0.0415  0.0316  0.0235  259 HIS A CD2 
471  C CE1 . HIS A 83  ? 0.3428 0.5883 0.3960 0.0388  0.0240  0.0371  259 HIS A CE1 
472  N NE2 . HIS A 83  ? 0.3658 0.5910 0.4253 0.0406  0.0305  0.0354  259 HIS A NE2 
473  N N   . GLU A 84  ? 0.3819 0.6537 0.4395 0.0626  0.0225  0.0341  260 GLU A N   
474  C CA  . GLU A 84  ? 0.3816 0.6735 0.4379 0.0674  0.0180  0.0438  260 GLU A CA  
475  C C   . GLU A 84  ? 0.3475 0.6530 0.3959 0.0585  0.0125  0.0423  260 GLU A C   
476  O O   . GLU A 84  ? 0.2964 0.6209 0.3427 0.0593  0.0087  0.0439  260 GLU A O   
477  C CB  . GLU A 84  ? 0.4564 0.7437 0.5161 0.0750  0.0198  0.0583  260 GLU A CB  
478  C CG  . GLU A 84  ? 0.5071 0.8187 0.5664 0.0820  0.0152  0.0680  260 GLU A CG  
479  C CD  . GLU A 84  ? 0.5675 0.8769 0.6291 0.0912  0.0168  0.0840  260 GLU A CD  
480  O OE1 . GLU A 84  ? 0.5530 0.8854 0.6140 0.0973  0.0126  0.0920  260 GLU A OE1 
481  O OE2 . GLU A 84  ? 0.5894 0.8753 0.6535 0.0920  0.0225  0.0886  260 GLU A OE2 
482  N N   . ASN A 85  ? 0.3315 0.6276 0.3763 0.0498  0.0125  0.0387  261 ASN A N   
483  C CA  . ASN A 85  ? 0.3040 0.6107 0.3423 0.0424  0.0083  0.0376  261 ASN A CA  
484  C C   . ASN A 85  ? 0.2757 0.5836 0.3100 0.0357  0.0068  0.0269  261 ASN A C   
485  O O   . ASN A 85  ? 0.2523 0.5638 0.2822 0.0296  0.0045  0.0254  261 ASN A O   
486  C CB  . ASN A 85  ? 0.3237 0.6239 0.3613 0.0390  0.0091  0.0442  261 ASN A CB  
487  C CG  . ASN A 85  ? 0.3361 0.6354 0.3765 0.0467  0.0110  0.0567  261 ASN A CG  
488  O OD1 . ASN A 85  ? 0.3971 0.6800 0.4416 0.0481  0.0156  0.0614  261 ASN A OD1 
489  N ND2 . ASN A 85  ? 0.3170 0.6343 0.3554 0.0518  0.0077  0.0624  261 ASN A ND2 
490  N N   . ILE A 86  ? 0.2596 0.5662 0.2949 0.0377  0.0083  0.0201  262 ILE A N   
491  C CA  . ILE A 86  ? 0.2391 0.5502 0.2691 0.0327  0.0069  0.0118  262 ILE A CA  
492  C C   . ILE A 86  ? 0.2117 0.5347 0.2418 0.0364  0.0069  0.0111  262 ILE A C   
493  O O   . ILE A 86  ? 0.2091 0.5320 0.2446 0.0429  0.0093  0.0121  262 ILE A O   
494  C CB  . ILE A 86  ? 0.2520 0.5525 0.2821 0.0300  0.0092  0.0028  262 ILE A CB  
495  C CG1 . ILE A 86  ? 0.2743 0.5636 0.3064 0.0252  0.0098  0.0028  262 ILE A CG1 
496  C CG2 . ILE A 86  ? 0.2451 0.5532 0.2682 0.0259  0.0074  -0.0039 262 ILE A CG2 
497  C CD1 . ILE A 86  ? 0.2656 0.5615 0.2941 0.0195  0.0061  0.0050  262 ILE A CD1 
498  N N   . LEU A 87  ? 0.2003 0.5329 0.2251 0.0323  0.0048  0.0096  263 LEU A N   
499  C CA  . LEU A 87  ? 0.2128 0.5577 0.2379 0.0337  0.0054  0.0083  263 LEU A CA  
500  C C   . LEU A 87  ? 0.2268 0.5697 0.2539 0.0371  0.0090  0.0025  263 LEU A C   
501  O O   . LEU A 87  ? 0.2444 0.5793 0.2678 0.0347  0.0101  -0.0033 263 LEU A O   
502  C CB  . LEU A 87  ? 0.1911 0.5418 0.2098 0.0274  0.0043  0.0067  263 LEU A CB  
503  C CG  . LEU A 87  ? 0.1769 0.5396 0.1961 0.0266  0.0060  0.0049  263 LEU A CG  
504  C CD1 . LEU A 87  ? 0.1778 0.5538 0.2035 0.0295  0.0051  0.0085  263 LEU A CD1 
505  C CD2 . LEU A 87  ? 0.1584 0.5221 0.1713 0.0202  0.0064  0.0039  263 LEU A CD2 
506  N N   . GLY A 88  ? 0.2275 0.5792 0.2608 0.0430  0.0107  0.0037  264 GLY A N   
507  C CA  . GLY A 88  ? 0.2410 0.5918 0.2780 0.0479  0.0150  -0.0017 264 GLY A CA  
508  C C   . GLY A 88  ? 0.2251 0.5833 0.2566 0.0437  0.0168  -0.0078 264 GLY A C   
509  O O   . GLY A 88  ? 0.2104 0.5817 0.2417 0.0412  0.0164  -0.0063 264 GLY A O   
510  N N   . PHE A 89  ? 0.2437 0.5939 0.2704 0.0421  0.0191  -0.0149 265 PHE A N   
511  C CA  . PHE A 89  ? 0.2183 0.5757 0.2377 0.0383  0.0213  -0.0200 265 PHE A CA  
512  C C   . PHE A 89  ? 0.2173 0.5843 0.2421 0.0435  0.0265  -0.0240 265 PHE A C   
513  O O   . PHE A 89  ? 0.2241 0.5859 0.2556 0.0502  0.0295  -0.0274 265 PHE A O   
514  C CB  . PHE A 89  ? 0.2419 0.5902 0.2527 0.0342  0.0208  -0.0258 265 PHE A CB  
515  C CG  . PHE A 89  ? 0.2350 0.5905 0.2367 0.0314  0.0234  -0.0310 265 PHE A CG  
516  C CD1 . PHE A 89  ? 0.2275 0.5897 0.2213 0.0267  0.0224  -0.0266 265 PHE A CD1 
517  C CD2 . PHE A 89  ? 0.2480 0.6024 0.2483 0.0333  0.0273  -0.0401 265 PHE A CD2 
518  C CE1 . PHE A 89  ? 0.2240 0.5926 0.2081 0.0245  0.0253  -0.0297 265 PHE A CE1 
519  C CE2 . PHE A 89  ? 0.2496 0.6123 0.2398 0.0307  0.0299  -0.0447 265 PHE A CE2 
520  C CZ  . PHE A 89  ? 0.2344 0.6046 0.2164 0.0265  0.0287  -0.0386 265 PHE A CZ  
521  N N   . ILE A 90  ? 0.1943 0.5746 0.2166 0.0403  0.0283  -0.0238 266 ILE A N   
522  C CA  . ILE A 90  ? 0.1914 0.5831 0.2180 0.0441  0.0339  -0.0285 266 ILE A CA  
523  C C   . ILE A 90  ? 0.2000 0.5922 0.2156 0.0402  0.0377  -0.0350 266 ILE A C   
524  O O   . ILE A 90  ? 0.2017 0.5920 0.2174 0.0441  0.0418  -0.0427 266 ILE A O   
525  C CB  . ILE A 90  ? 0.1793 0.5891 0.2133 0.0434  0.0345  -0.0242 266 ILE A CB  
526  C CG1 . ILE A 90  ? 0.1727 0.5852 0.2169 0.0485  0.0304  -0.0182 266 ILE A CG1 
527  C CG2 . ILE A 90  ? 0.1813 0.6056 0.2210 0.0471  0.0407  -0.0291 266 ILE A CG2 
528  C CD1 . ILE A 90  ? 0.1672 0.6009 0.2191 0.0470  0.0299  -0.0151 266 ILE A CD1 
529  N N   . ALA A 91  ? 0.1998 0.5943 0.2056 0.0329  0.0367  -0.0316 267 ALA A N   
530  C CA  . ALA A 91  ? 0.2112 0.6083 0.2046 0.0292  0.0399  -0.0351 267 ALA A CA  
531  C C   . ALA A 91  ? 0.2114 0.6066 0.1945 0.0225  0.0378  -0.0282 267 ALA A C   
532  O O   . ALA A 91  ? 0.2037 0.5970 0.1902 0.0198  0.0353  -0.0218 267 ALA A O   
533  C CB  . ALA A 91  ? 0.2130 0.6245 0.2089 0.0304  0.0470  -0.0386 267 ALA A CB  
534  N N   . SER A 92  ? 0.2092 0.6054 0.1794 0.0202  0.0392  -0.0295 268 SER A N   
535  C CA  . SER A 92  ? 0.2158 0.6109 0.1758 0.0155  0.0388  -0.0218 268 SER A CA  
536  C C   . SER A 92  ? 0.2195 0.6248 0.1720 0.0132  0.0457  -0.0213 268 SER A C   
537  O O   . SER A 92  ? 0.2213 0.6337 0.1717 0.0154  0.0490  -0.0287 268 SER A O   
538  C CB  . SER A 92  ? 0.2259 0.6150 0.1760 0.0156  0.0335  -0.0218 268 SER A CB  
539  O OG  . SER A 92  ? 0.2465 0.6364 0.1853 0.0129  0.0341  -0.0136 268 SER A OG  
540  N N   . ASP A 93  ? 0.2267 0.6319 0.1749 0.0086  0.0485  -0.0129 269 ASP A N   
541  C CA  . ASP A 93  ? 0.2585 0.6731 0.1995 0.0057  0.0561  -0.0111 269 ASP A CA  
542  C C   . ASP A 93  ? 0.2795 0.6880 0.2115 0.0011  0.0587  0.0003  269 ASP A C   
543  O O   . ASP A 93  ? 0.2550 0.6525 0.1894 -0.0001 0.0554  0.0059  269 ASP A O   
544  C CB  . ASP A 93  ? 0.2601 0.6858 0.2138 0.0047  0.0618  -0.0153 269 ASP A CB  
545  C CG  . ASP A 93  ? 0.2960 0.7352 0.2438 0.0038  0.0700  -0.0182 269 ASP A CG  
546  O OD1 . ASP A 93  ? 0.2841 0.7250 0.2163 0.0038  0.0718  -0.0172 269 ASP A OD1 
547  O OD2 . ASP A 93  ? 0.3163 0.7670 0.2758 0.0031  0.0748  -0.0216 269 ASP A OD2 
548  N N   . MET A 94  ? 0.3244 0.7396 0.2448 -0.0009 0.0652  0.0038  270 MET A N   
549  C CA  . MET A 94  ? 0.3675 0.7764 0.2797 -0.0052 0.0701  0.0160  270 MET A CA  
550  C C   . MET A 94  ? 0.3838 0.7987 0.3036 -0.0118 0.0792  0.0163  270 MET A C   
551  O O   . MET A 94  ? 0.4205 0.8486 0.3484 -0.0116 0.0816  0.0076  270 MET A O   
552  C CB  . MET A 94  ? 0.3954 0.8090 0.2888 -0.0032 0.0720  0.0215  270 MET A CB  
553  C CG  . MET A 94  ? 0.4202 0.8285 0.3050 0.0020  0.0636  0.0246  270 MET A CG  
554  S SD  . MET A 94  ? 0.4759 0.8938 0.3375 0.0042  0.0664  0.0335  270 MET A SD  
555  C CE  . MET A 94  ? 0.4441 0.8579 0.3018 0.0104  0.0546  0.0357  270 MET A CE  
556  N N   . THR A 95  ? 0.4074 0.8126 0.3261 -0.0177 0.0845  0.0258  271 THR A N   
557  C CA  . THR A 95  ? 0.4357 0.8474 0.3612 -0.0260 0.0942  0.0261  271 THR A CA  
558  C C   . THR A 95  ? 0.4740 0.8720 0.3934 -0.0327 0.1022  0.0384  271 THR A C   
559  O O   . THR A 95  ? 0.4412 0.8213 0.3597 -0.0326 0.0998  0.0446  271 THR A O   
560  C CB  . THR A 95  ? 0.4235 0.8428 0.3691 -0.0291 0.0925  0.0169  271 THR A CB  
561  O OG1 . THR A 95  ? 0.4255 0.8563 0.3784 -0.0376 0.1023  0.0160  271 THR A OG1 
562  C CG2 . THR A 95  ? 0.4009 0.8059 0.3532 -0.0308 0.0875  0.0184  271 THR A CG2 
563  N N   . SER A 96  ? 0.4812 0.8878 0.3975 -0.0387 0.1128  0.0412  272 SER A N   
564  C CA  . SER A 96  ? 0.5292 0.9242 0.4372 -0.0451 0.1229  0.0539  272 SER A CA  
565  C C   . SER A 96  ? 0.5592 0.9462 0.4825 -0.0558 0.1282  0.0521  272 SER A C   
566  O O   . SER A 96  ? 0.5753 0.9764 0.5096 -0.0639 0.1346  0.0460  272 SER A O   
567  C CB  . SER A 96  ? 0.5393 0.9504 0.4383 -0.0474 0.1321  0.0559  272 SER A CB  
568  O OG  . SER A 96  ? 0.5426 0.9641 0.4279 -0.0379 0.1265  0.0542  272 SER A OG  
569  N N   . ARG A 97  ? 0.6221 0.9882 0.5468 -0.0560 0.1256  0.0565  273 ARG A N   
570  C CA  . ARG A 97  ? 0.7040 1.0647 0.6453 -0.0648 0.1266  0.0498  273 ARG A CA  
571  C C   . ARG A 97  ? 0.7795 1.1123 0.7184 -0.0691 0.1320  0.0586  273 ARG A C   
572  O O   . ARG A 97  ? 0.7442 1.0611 0.6749 -0.0605 0.1267  0.0654  273 ARG A O   
573  C CB  . ARG A 97  ? 0.6913 1.0603 0.6429 -0.0590 0.1140  0.0385  273 ARG A CB  
574  C CG  . ARG A 97  ? 0.7118 1.0989 0.6817 -0.0658 0.1134  0.0262  273 ARG A CG  
575  C CD  . ARG A 97  ? 0.7422 1.1244 0.7215 -0.0803 0.1228  0.0250  273 ARG A CD  
576  N NE  . ARG A 97  ? 0.7768 1.1686 0.7562 -0.0890 0.1348  0.0275  273 ARG A NE  
577  C CZ  . ARG A 97  ? 0.7695 1.1573 0.7559 -0.1034 0.1458  0.0274  273 ARG A CZ  
578  N NH1 . ARG A 97  ? 0.7213 1.1193 0.7071 -0.1107 0.1568  0.0303  273 ARG A NH1 
579  N NH2 . ARG A 97  ? 0.7642 1.1380 0.7583 -0.1113 0.1467  0.0239  273 ARG A NH2 
580  N N   . HIS A 98  ? 0.8623 1.1901 0.8098 -0.0826 0.1429  0.0575  274 HIS A N   
581  C CA  . HIS A 98  ? 0.9056 1.2051 0.8521 -0.0892 0.1520  0.0653  274 HIS A CA  
582  C C   . HIS A 98  ? 0.8932 1.1790 0.8216 -0.0842 0.1597  0.0833  274 HIS A C   
583  O O   . HIS A 98  ? 0.8931 1.1915 0.8164 -0.0879 0.1667  0.0870  274 HIS A O   
584  C CB  . HIS A 98  ? 0.9086 1.1928 0.8605 -0.0857 0.1445  0.0609  274 HIS A CB  
585  C CG  . HIS A 98  ? 0.9631 1.2635 0.9317 -0.0919 0.1385  0.0443  274 HIS A CG  
586  N ND1 . HIS A 98  ? 0.9859 1.2868 0.9676 -0.1072 0.1461  0.0357  274 HIS A ND1 
587  C CD2 . HIS A 98  ? 0.9702 1.2880 0.9441 -0.0849 0.1257  0.0351  274 HIS A CD2 
588  C CE1 . HIS A 98  ? 0.9628 1.2830 0.9565 -0.1086 0.1375  0.0223  274 HIS A CE1 
589  N NE2 . HIS A 98  ? 0.9694 1.2991 0.9586 -0.0948 0.1254  0.0225  274 HIS A NE2 
590  N N   . SER A 99  ? 0.8444 1.1071 0.7629 -0.0756 0.1586  0.0949  275 SER A N   
591  C CA  . SER A 99  ? 0.7986 1.0539 0.6984 -0.0675 0.1631  0.1131  275 SER A CA  
592  C C   . SER A 99  ? 0.7438 1.0030 0.6340 -0.0513 0.1495  0.1163  275 SER A C   
593  O O   . SER A 99  ? 0.7808 1.0214 0.6639 -0.0427 0.1487  0.1279  275 SER A O   
594  C CB  . SER A 99  ? 0.8466 1.0706 0.7433 -0.0724 0.1771  0.1272  275 SER A CB  
595  O OG  . SER A 99  ? 0.8518 1.0770 0.7537 -0.0876 0.1909  0.1264  275 SER A OG  
596  N N   . SER A 100 ? 0.6502 0.9345 0.5418 -0.0475 0.1390  0.1050  276 SER A N   
597  C CA  . SER A 100 ? 0.5787 0.8712 0.4645 -0.0346 0.1253  0.1034  276 SER A CA  
598  C C   . SER A 100 ? 0.5174 0.8369 0.4048 -0.0334 0.1184  0.0909  276 SER A C   
599  O O   . SER A 100 ? 0.4787 0.8106 0.3742 -0.0416 0.1231  0.0826  276 SER A O   
600  C CB  . SER A 100 ? 0.5889 0.8696 0.4857 -0.0320 0.1176  0.0971  276 SER A CB  
601  O OG  . SER A 100 ? 0.5618 0.8548 0.4734 -0.0374 0.1125  0.0806  276 SER A OG  
602  N N   . THR A 101 ? 0.4910 0.8195 0.3710 -0.0231 0.1077  0.0896  277 THR A N   
603  C CA  . THR A 101 ? 0.4681 0.8172 0.3517 -0.0206 0.0996  0.0758  277 THR A CA  
604  C C   . THR A 101 ? 0.4053 0.7499 0.3007 -0.0176 0.0897  0.0673  277 THR A C   
605  O O   . THR A 101 ? 0.4190 0.7555 0.3103 -0.0106 0.0832  0.0720  277 THR A O   
606  C CB  . THR A 101 ? 0.4824 0.8452 0.3498 -0.0122 0.0947  0.0784  277 THR A CB  
607  O OG1 . THR A 101 ? 0.5295 0.8969 0.3836 -0.0144 0.1044  0.0882  277 THR A OG1 
608  C CG2 . THR A 101 ? 0.4670 0.8482 0.3394 -0.0102 0.0877  0.0625  277 THR A CG2 
609  N N   . GLN A 102 ? 0.3535 0.7047 0.2638 -0.0225 0.0884  0.0554  278 GLN A N   
610  C CA  . GLN A 102 ? 0.3312 0.6792 0.2521 -0.0200 0.0795  0.0480  278 GLN A CA  
611  C C   . GLN A 102 ? 0.3026 0.6631 0.2228 -0.0129 0.0703  0.0400  278 GLN A C   
612  O O   . GLN A 102 ? 0.3020 0.6767 0.2197 -0.0121 0.0714  0.0349  278 GLN A O   
613  C CB  . GLN A 102 ? 0.3160 0.6662 0.2527 -0.0279 0.0819  0.0399  278 GLN A CB  
614  C CG  . GLN A 102 ? 0.3283 0.6652 0.2673 -0.0370 0.0917  0.0453  278 GLN A CG  
615  C CD  . GLN A 102 ? 0.3280 0.6677 0.2829 -0.0449 0.0918  0.0358  278 GLN A CD  
616  O OE1 . GLN A 102 ? 0.2914 0.6485 0.2556 -0.0447 0.0872  0.0265  278 GLN A OE1 
617  N NE2 . GLN A 102 ? 0.3556 0.6785 0.3136 -0.0512 0.0969  0.0381  278 GLN A NE2 
618  N N   . LEU A 103 ? 0.2885 0.6425 0.2117 -0.0083 0.0621  0.0386  279 LEU A N   
619  C CA  . LEU A 103 ? 0.2671 0.6286 0.1912 -0.0025 0.0534  0.0313  279 LEU A CA  
620  C C   . LEU A 103 ? 0.2431 0.6048 0.1820 -0.0040 0.0497  0.0234  279 LEU A C   
621  O O   . LEU A 103 ? 0.2414 0.5933 0.1856 -0.0052 0.0481  0.0253  279 LEU A O   
622  C CB  . LEU A 103 ? 0.2626 0.6177 0.1795 0.0034  0.0472  0.0369  279 LEU A CB  
623  C CG  . LEU A 103 ? 0.2841 0.6407 0.1852 0.0071  0.0488  0.0468  279 LEU A CG  
624  C CD1 . LEU A 103 ? 0.2750 0.6306 0.1732 0.0136  0.0405  0.0496  279 LEU A CD1 
625  C CD2 . LEU A 103 ? 0.2831 0.6551 0.1752 0.0074  0.0502  0.0428  279 LEU A CD2 
626  N N   . TRP A 104 ? 0.2287 0.6018 0.1739 -0.0032 0.0487  0.0148  280 TRP A N   
627  C CA  . TRP A 104 ? 0.2016 0.5781 0.1609 -0.0041 0.0464  0.0088  280 TRP A CA  
628  C C   . TRP A 104 ? 0.1929 0.5718 0.1552 0.0019  0.0399  0.0028  280 TRP A C   
629  O O   . TRP A 104 ? 0.1722 0.5566 0.1299 0.0050  0.0402  -0.0012 280 TRP A O   
630  C CB  . TRP A 104 ? 0.1972 0.5868 0.1641 -0.0075 0.0521  0.0046  280 TRP A CB  
631  C CG  . TRP A 104 ? 0.1963 0.5860 0.1652 -0.0156 0.0593  0.0080  280 TRP A CG  
632  C CD1 . TRP A 104 ? 0.2044 0.5812 0.1663 -0.0200 0.0633  0.0156  280 TRP A CD1 
633  C CD2 . TRP A 104 ? 0.1893 0.5934 0.1685 -0.0208 0.0644  0.0037  280 TRP A CD2 
634  N NE1 . TRP A 104 ? 0.2078 0.5879 0.1752 -0.0289 0.0713  0.0158  280 TRP A NE1 
635  C CE2 . TRP A 104 ? 0.1977 0.5963 0.1758 -0.0299 0.0718  0.0082  280 TRP A CE2 
636  C CE3 . TRP A 104 ? 0.1815 0.6031 0.1717 -0.0181 0.0637  -0.0033 280 TRP A CE3 
637  C CZ2 . TRP A 104 ? 0.1971 0.6085 0.1856 -0.0383 0.0780  0.0046  280 TRP A CZ2 
638  C CZ3 . TRP A 104 ? 0.1781 0.6150 0.1790 -0.0250 0.0694  -0.0061 280 TRP A CZ3 
639  C CH2 . TRP A 104 ? 0.1871 0.6194 0.1868 -0.0357 0.0764  -0.0026 280 TRP A CH2 
640  N N   . LEU A 105 ? 0.1886 0.5631 0.1589 0.0030  0.0349  0.0018  281 LEU A N   
641  C CA  . LEU A 105 ? 0.1902 0.5659 0.1659 0.0080  0.0301  -0.0034 281 LEU A CA  
642  C C   . LEU A 105 ? 0.1718 0.5542 0.1602 0.0084  0.0297  -0.0056 281 LEU A C   
643  O O   . LEU A 105 ? 0.1758 0.5568 0.1685 0.0054  0.0283  -0.0032 281 LEU A O   
644  C CB  . LEU A 105 ? 0.2072 0.5730 0.1800 0.0097  0.0243  -0.0013 281 LEU A CB  
645  C CG  . LEU A 105 ? 0.2308 0.5945 0.2094 0.0135  0.0198  -0.0056 281 LEU A CG  
646  C CD1 . LEU A 105 ? 0.2447 0.6119 0.2218 0.0164  0.0212  -0.0122 281 LEU A CD1 
647  C CD2 . LEU A 105 ? 0.2716 0.6277 0.2474 0.0137  0.0149  -0.0033 281 LEU A CD2 
648  N N   . ILE A 106 ? 0.1589 0.5487 0.1530 0.0129  0.0307  -0.0105 282 ILE A N   
649  C CA  . ILE A 106 ? 0.1543 0.5555 0.1606 0.0147  0.0312  -0.0119 282 ILE A CA  
650  C C   . ILE A 106 ? 0.1563 0.5536 0.1689 0.0216  0.0270  -0.0129 282 ILE A C   
651  O O   . ILE A 106 ? 0.1450 0.5361 0.1560 0.0261  0.0271  -0.0164 282 ILE A O   
652  C CB  . ILE A 106 ? 0.1504 0.5658 0.1601 0.0151  0.0375  -0.0156 282 ILE A CB  
653  C CG1 . ILE A 106 ? 0.1562 0.5741 0.1593 0.0071  0.0427  -0.0133 282 ILE A CG1 
654  C CG2 . ILE A 106 ? 0.1465 0.5776 0.1702 0.0176  0.0376  -0.0166 282 ILE A CG2 
655  C CD1 . ILE A 106 ? 0.1646 0.5875 0.1608 0.0076  0.0487  -0.0160 282 ILE A CD1 
656  N N   . THR A 107 ? 0.1764 0.5770 0.1958 0.0219  0.0237  -0.0097 283 THR A N   
657  C CA  . THR A 107 ? 0.1872 0.5836 0.2123 0.0283  0.0200  -0.0081 283 THR A CA  
658  C C   . THR A 107 ? 0.1949 0.6065 0.2302 0.0311  0.0187  -0.0056 283 THR A C   
659  O O   . THR A 107 ? 0.1940 0.6193 0.2319 0.0261  0.0197  -0.0059 283 THR A O   
660  C CB  . THR A 107 ? 0.1919 0.5756 0.2116 0.0257  0.0157  -0.0048 283 THR A CB  
661  O OG1 . THR A 107 ? 0.1768 0.5651 0.1958 0.0200  0.0145  -0.0023 283 THR A OG1 
662  C CG2 . THR A 107 ? 0.1972 0.5696 0.2072 0.0232  0.0162  -0.0070 283 THR A CG2 
663  N N   . HIS A 108 ? 0.2259 0.6353 0.2671 0.0388  0.0165  -0.0027 284 HIS A N   
664  C CA  . HIS A 108 ? 0.2411 0.6650 0.2902 0.0424  0.0134  0.0021  284 HIS A CA  
665  C C   . HIS A 108 ? 0.2216 0.6511 0.2670 0.0340  0.0104  0.0035  284 HIS A C   
666  O O   . HIS A 108 ? 0.2147 0.6318 0.2519 0.0276  0.0101  0.0027  284 HIS A O   
667  C CB  . HIS A 108 ? 0.2630 0.6784 0.3158 0.0512  0.0115  0.0075  284 HIS A CB  
668  C CG  . HIS A 108 ? 0.3088 0.7196 0.3680 0.0607  0.0154  0.0060  284 HIS A CG  
669  N ND1 . HIS A 108 ? 0.3219 0.7151 0.3824 0.0670  0.0162  0.0085  284 HIS A ND1 
670  C CD2 . HIS A 108 ? 0.3582 0.7793 0.4235 0.0650  0.0195  0.0017  284 HIS A CD2 
671  C CE1 . HIS A 108 ? 0.3670 0.7578 0.4339 0.0748  0.0210  0.0053  284 HIS A CE1 
672  N NE2 . HIS A 108 ? 0.3781 0.7866 0.4479 0.0743  0.0229  0.0011  284 HIS A NE2 
673  N N   . TYR A 109 ? 0.2321 0.6822 0.2842 0.0342  0.0085  0.0048  285 TYR A N   
674  C CA  . TYR A 109 ? 0.2208 0.6802 0.2708 0.0255  0.0063  0.0038  285 TYR A CA  
675  C C   . TYR A 109 ? 0.1991 0.6654 0.2500 0.0291  0.0012  0.0092  285 TYR A C   
676  O O   . TYR A 109 ? 0.2234 0.7031 0.2813 0.0379  -0.0008 0.0139  285 TYR A O   
677  C CB  . TYR A 109 ? 0.2008 0.6835 0.2580 0.0209  0.0082  -0.0006 285 TYR A CB  
678  C CG  . TYR A 109 ? 0.1872 0.6786 0.2426 0.0099  0.0072  -0.0041 285 TYR A CG  
679  C CD1 . TYR A 109 ? 0.1796 0.6548 0.2273 0.0004  0.0106  -0.0075 285 TYR A CD1 
680  C CD2 . TYR A 109 ? 0.1740 0.6905 0.2354 0.0093  0.0032  -0.0044 285 TYR A CD2 
681  C CE1 . TYR A 109 ? 0.1810 0.6611 0.2275 -0.0098 0.0111  -0.0120 285 TYR A CE1 
682  C CE2 . TYR A 109 ? 0.1670 0.6913 0.2265 -0.0021 0.0030  -0.0100 285 TYR A CE2 
683  C CZ  . TYR A 109 ? 0.1780 0.6824 0.2303 -0.0118 0.0075  -0.0143 285 TYR A CZ  
684  O OH  . TYR A 109 ? 0.1792 0.6868 0.2297 -0.0236 0.0089  -0.0210 285 TYR A OH  
685  N N   . HIS A 110 ? 0.2044 0.6632 0.2482 0.0229  -0.0004 0.0091  286 HIS A N   
686  C CA  . HIS A 110 ? 0.1889 0.6561 0.2317 0.0251  -0.0048 0.0139  286 HIS A CA  
687  C C   . HIS A 110 ? 0.1911 0.6725 0.2321 0.0152  -0.0056 0.0082  286 HIS A C   
688  O O   . HIS A 110 ? 0.1642 0.6335 0.1992 0.0070  -0.0036 0.0037  286 HIS A O   
689  C CB  . HIS A 110 ? 0.1888 0.6347 0.2253 0.0275  -0.0053 0.0184  286 HIS A CB  
690  C CG  . HIS A 110 ? 0.1895 0.6223 0.2290 0.0363  -0.0039 0.0226  286 HIS A CG  
691  N ND1 . HIS A 110 ? 0.2007 0.6418 0.2468 0.0464  -0.0049 0.0289  286 HIS A ND1 
692  C CD2 . HIS A 110 ? 0.1965 0.6093 0.2336 0.0365  -0.0013 0.0205  286 HIS A CD2 
693  C CE1 . HIS A 110 ? 0.2129 0.6368 0.2609 0.0521  -0.0020 0.0300  286 HIS A CE1 
694  N NE2 . HIS A 110 ? 0.2068 0.6144 0.2491 0.0456  -0.0001 0.0243  286 HIS A NE2 
695  N N   . GLU A 111 ? 0.2051 0.7141 0.2523 0.0160  -0.0084 0.0080  287 GLU A N   
696  C CA  . GLU A 111 ? 0.2204 0.7465 0.2677 0.0049  -0.0086 -0.0001 287 GLU A CA  
697  C C   . GLU A 111 ? 0.2313 0.7523 0.2700 -0.0008 -0.0098 -0.0019 287 GLU A C   
698  O O   . GLU A 111 ? 0.2422 0.7635 0.2786 -0.0121 -0.0073 -0.0109 287 GLU A O   
699  C CB  . GLU A 111 ? 0.2408 0.8020 0.2970 0.0069  -0.0121 -0.0005 287 GLU A CB  
700  C CG  . GLU A 111 ? 0.2378 0.8147 0.2943 0.0176  -0.0180 0.0090  287 GLU A CG  
701  C CD  . GLU A 111 ? 0.2462 0.8580 0.3136 0.0222  -0.0211 0.0097  287 GLU A CD  
702  O OE1 . GLU A 111 ? 0.2647 0.9008 0.3341 0.0122  -0.0226 0.0013  287 GLU A OE1 
703  O OE2 . GLU A 111 ? 0.2225 0.8371 0.2971 0.0350  -0.0214 0.0174  287 GLU A OE2 
704  N N   . MET A 112 ? 0.2430 0.7581 0.2771 0.0066  -0.0128 0.0062  288 MET A N   
705  C CA  . MET A 112 ? 0.2691 0.7779 0.2947 0.0019  -0.0131 0.0047  288 MET A CA  
706  C C   . MET A 112 ? 0.2457 0.7286 0.2666 -0.0050 -0.0082 -0.0009 288 MET A C   
707  O O   . MET A 112 ? 0.2781 0.7581 0.2937 -0.0111 -0.0070 -0.0057 288 MET A O   
708  C CB  . MET A 112 ? 0.2775 0.7798 0.2989 0.0108  -0.0155 0.0154  288 MET A CB  
709  C CG  . MET A 112 ? 0.3047 0.8294 0.3283 0.0197  -0.0202 0.0245  288 MET A CG  
710  S SD  . MET A 112 ? 0.2987 0.8603 0.3202 0.0134  -0.0244 0.0189  288 MET A SD  
711  C CE  . MET A 112 ? 0.2988 0.8840 0.3322 0.0133  -0.0255 0.0143  288 MET A CE  
712  N N   . GLY A 113 ? 0.2214 0.6862 0.2439 -0.0029 -0.0053 0.0003  289 GLY A N   
713  C CA  . GLY A 113 ? 0.1888 0.6310 0.2069 -0.0077 -0.0011 -0.0031 289 GLY A CA  
714  C C   . GLY A 113 ? 0.1812 0.6075 0.1947 -0.0026 -0.0021 0.0026  289 GLY A C   
715  O O   . GLY A 113 ? 0.1533 0.5810 0.1680 0.0047  -0.0049 0.0095  289 GLY A O   
716  N N   . SER A 114 ? 0.1755 0.5864 0.1847 -0.0064 0.0008  -0.0002 290 SER A N   
717  C CA  . SER A 114 ? 0.1851 0.5831 0.1913 -0.0026 0.0002  0.0042  290 SER A CA  
718  C C   . SER A 114 ? 0.1914 0.5981 0.1949 -0.0024 -0.0016 0.0057  290 SER A C   
719  O O   . SER A 114 ? 0.1777 0.5999 0.1803 -0.0061 -0.0023 0.0019  290 SER A O   
720  C CB  . SER A 114 ? 0.2050 0.5864 0.2084 -0.0052 0.0038  0.0015  290 SER A CB  
721  O OG  . SER A 114 ? 0.2274 0.6094 0.2292 -0.0116 0.0071  -0.0051 290 SER A OG  
722  N N   . LEU A 115 ? 0.1823 0.5802 0.1844 0.0013  -0.0022 0.0108  291 LEU A N   
723  C CA  . LEU A 115 ? 0.1778 0.5815 0.1766 0.0009  -0.0025 0.0125  291 LEU A CA  
724  C C   . LEU A 115 ? 0.1730 0.5778 0.1685 -0.0054 0.0005  0.0041  291 LEU A C   
725  O O   . LEU A 115 ? 0.1795 0.5979 0.1715 -0.0081 0.0003  0.0013  291 LEU A O   
726  C CB  . LEU A 115 ? 0.1767 0.5686 0.1759 0.0044  -0.0023 0.0183  291 LEU A CB  
727  C CG  . LEU A 115 ? 0.1854 0.5825 0.1825 0.0064  -0.0028 0.0248  291 LEU A CG  
728  C CD1 . LEU A 115 ? 0.1976 0.6126 0.1922 0.0081  -0.0051 0.0290  291 LEU A CD1 
729  C CD2 . LEU A 115 ? 0.1944 0.5797 0.1952 0.0100  -0.0029 0.0312  291 LEU A CD2 
730  N N   . TYR A 116 ? 0.1598 0.5505 0.1560 -0.0073 0.0038  0.0000  292 TYR A N   
731  C CA  . TYR A 116 ? 0.1696 0.5569 0.1639 -0.0126 0.0081  -0.0082 292 TYR A CA  
732  C C   . TYR A 116 ? 0.1884 0.5901 0.1820 -0.0189 0.0084  -0.0153 292 TYR A C   
733  O O   . TYR A 116 ? 0.1971 0.6081 0.1876 -0.0227 0.0096  -0.0209 292 TYR A O   
734  C CB  . TYR A 116 ? 0.1786 0.5480 0.1743 -0.0125 0.0118  -0.0094 292 TYR A CB  
735  C CG  . TYR A 116 ? 0.1961 0.5572 0.1908 -0.0171 0.0178  -0.0172 292 TYR A CG  
736  C CD1 . TYR A 116 ? 0.1944 0.5484 0.1882 -0.0151 0.0208  -0.0185 292 TYR A CD1 
737  C CD2 . TYR A 116 ? 0.1979 0.5571 0.1934 -0.0235 0.0214  -0.0234 292 TYR A CD2 
738  C CE1 . TYR A 116 ? 0.2087 0.5526 0.2024 -0.0183 0.0275  -0.0259 292 TYR A CE1 
739  C CE2 . TYR A 116 ? 0.2218 0.5697 0.2171 -0.0281 0.0283  -0.0308 292 TYR A CE2 
740  C CZ  . TYR A 116 ? 0.2437 0.5832 0.2379 -0.0249 0.0314  -0.0320 292 TYR A CZ  
741  O OH  . TYR A 116 ? 0.3108 0.6372 0.3054 -0.0288 0.0393  -0.0399 292 TYR A OH  
742  N N   . ASP A 117 ? 0.2065 0.6134 0.2034 -0.0202 0.0073  -0.0155 293 ASP A N   
743  C CA  . ASP A 117 ? 0.2156 0.6392 0.2137 -0.0274 0.0075  -0.0233 293 ASP A CA  
744  C C   . ASP A 117 ? 0.1933 0.6407 0.1892 -0.0266 0.0029  -0.0223 293 ASP A C   
745  O O   . ASP A 117 ? 0.2038 0.6639 0.1971 -0.0332 0.0038  -0.0307 293 ASP A O   
746  C CB  . ASP A 117 ? 0.2250 0.6535 0.2285 -0.0277 0.0066  -0.0222 293 ASP A CB  
747  C CG  . ASP A 117 ? 0.2456 0.6532 0.2503 -0.0282 0.0111  -0.0217 293 ASP A CG  
748  O OD1 . ASP A 117 ? 0.2948 0.6908 0.2986 -0.0344 0.0168  -0.0280 293 ASP A OD1 
749  O OD2 . ASP A 117 ? 0.2212 0.6244 0.2276 -0.0224 0.0094  -0.0152 293 ASP A OD2 
750  N N   . TYR A 118 ? 0.1815 0.6342 0.1780 -0.0184 -0.0017 -0.0118 294 TYR A N   
751  C CA  . TYR A 118 ? 0.1825 0.6571 0.1769 -0.0150 -0.0064 -0.0067 294 TYR A CA  
752  C C   . TYR A 118 ? 0.2028 0.6830 0.1900 -0.0164 -0.0058 -0.0077 294 TYR A C   
753  O O   . TYR A 118 ? 0.1936 0.6965 0.1769 -0.0198 -0.0078 -0.0115 294 TYR A O   
754  C CB  . TYR A 118 ? 0.1865 0.6562 0.1837 -0.0050 -0.0092 0.0059  294 TYR A CB  
755  C CG  . TYR A 118 ? 0.2075 0.6973 0.2029 0.0011  -0.0136 0.0147  294 TYR A CG  
756  C CD1 . TYR A 118 ? 0.2131 0.7286 0.2117 0.0024  -0.0175 0.0150  294 TYR A CD1 
757  C CD2 . TYR A 118 ? 0.1984 0.6827 0.1898 0.0060  -0.0137 0.0239  294 TYR A CD2 
758  C CE1 . TYR A 118 ? 0.2151 0.7498 0.2119 0.0098  -0.0216 0.0253  294 TYR A CE1 
759  C CE2 . TYR A 118 ? 0.2177 0.7177 0.2070 0.0124  -0.0168 0.0341  294 TYR A CE2 
760  C CZ  . TYR A 118 ? 0.2314 0.7567 0.2228 0.0151  -0.0210 0.0355  294 TYR A CZ  
761  O OH  . TYR A 118 ? 0.2044 0.7451 0.1929 0.0231  -0.0241 0.0481  294 TYR A OH  
762  N N   . LEU A 119 ? 0.2004 0.6622 0.1856 -0.0141 -0.0032 -0.0046 295 LEU A N   
763  C CA  . LEU A 119 ? 0.2119 0.6779 0.1907 -0.0157 -0.0013 -0.0064 295 LEU A CA  
764  C C   . LEU A 119 ? 0.2409 0.7155 0.2164 -0.0247 0.0017  -0.0205 295 LEU A C   
765  O O   . LEU A 119 ? 0.2498 0.7395 0.2188 -0.0269 0.0019  -0.0234 295 LEU A O   
766  C CB  . LEU A 119 ? 0.1944 0.6394 0.1738 -0.0129 0.0020  -0.0031 295 LEU A CB  
767  C CG  . LEU A 119 ? 0.1766 0.6136 0.1588 -0.0058 -0.0002 0.0093  295 LEU A CG  
768  C CD1 . LEU A 119 ? 0.1825 0.6007 0.1673 -0.0046 0.0029  0.0101  295 LEU A CD1 
769  C CD2 . LEU A 119 ? 0.1871 0.6390 0.1648 -0.0025 -0.0024 0.0183  295 LEU A CD2 
770  N N   . GLN A 120 ? 0.2651 0.7305 0.2447 -0.0304 0.0048  -0.0296 296 GLN A N   
771  C CA  . GLN A 120 ? 0.3056 0.7764 0.2829 -0.0401 0.0091  -0.0446 296 GLN A CA  
772  C C   . GLN A 120 ? 0.3382 0.8384 0.3140 -0.0463 0.0056  -0.0512 296 GLN A C   
773  O O   . GLN A 120 ? 0.3372 0.8467 0.3095 -0.0549 0.0086  -0.0644 296 GLN A O   
774  C CB  . GLN A 120 ? 0.3072 0.7555 0.2894 -0.0446 0.0152  -0.0517 296 GLN A CB  
775  C CG  . GLN A 120 ? 0.3062 0.7291 0.2890 -0.0393 0.0194  -0.0479 296 GLN A CG  
776  C CD  . GLN A 120 ? 0.3223 0.7237 0.3090 -0.0430 0.0258  -0.0536 296 GLN A CD  
777  O OE1 . GLN A 120 ? 0.3112 0.7085 0.2976 -0.0506 0.0319  -0.0657 296 GLN A OE1 
778  N NE2 . GLN A 120 ? 0.3206 0.7078 0.3109 -0.0378 0.0251  -0.0451 296 GLN A NE2 
779  N N   . LEU A 121 ? 0.3701 0.8862 0.3490 -0.0420 -0.0006 -0.0429 297 LEU A N   
780  C CA  . LEU A 121 ? 0.3891 0.9382 0.3679 -0.0465 -0.0052 -0.0478 297 LEU A CA  
781  C C   . LEU A 121 ? 0.4067 0.9812 0.3783 -0.0410 -0.0108 -0.0399 297 LEU A C   
782  O O   . LEU A 121 ? 0.4189 1.0253 0.3884 -0.0449 -0.0149 -0.0447 297 LEU A O   
783  C CB  . LEU A 121 ? 0.3951 0.9512 0.3826 -0.0433 -0.0088 -0.0423 297 LEU A CB  
784  C CG  . LEU A 121 ? 0.4028 0.9390 0.3977 -0.0479 -0.0040 -0.0475 297 LEU A CG  
785  C CD1 . LEU A 121 ? 0.4200 0.9654 0.4224 -0.0416 -0.0081 -0.0389 297 LEU A CD1 
786  C CD2 . LEU A 121 ? 0.4156 0.9582 0.4121 -0.0622 0.0005  -0.0646 297 LEU A CD2 
787  N N   . THR A 122 ? 0.3786 0.9413 0.3466 -0.0319 -0.0111 -0.0269 298 THR A N   
788  C CA  . THR A 122 ? 0.3622 0.9468 0.3234 -0.0252 -0.0160 -0.0157 298 THR A CA  
789  C C   . THR A 122 ? 0.3227 0.8930 0.2782 -0.0198 -0.0134 -0.0064 298 THR A C   
790  O O   . THR A 122 ? 0.3290 0.8718 0.2878 -0.0189 -0.0091 -0.0059 298 THR A O   
791  C CB  . THR A 122 ? 0.3702 0.9651 0.3373 -0.0156 -0.0217 -0.0021 298 THR A CB  
792  O OG1 . THR A 122 ? 0.3592 0.9810 0.3195 -0.0095 -0.0266 0.0082  298 THR A OG1 
793  C CG2 . THR A 122 ? 0.3432 0.9080 0.3160 -0.0073 -0.0199 0.0092  298 THR A CG2 
794  N N   . THR A 123 ? 0.2907 0.8824 0.2379 -0.0160 -0.0163 0.0019  299 THR A N   
795  C CA  . THR A 123 ? 0.2864 0.8705 0.2276 -0.0111 -0.0140 0.0126  299 THR A CA  
796  C C   . THR A 123 ? 0.2974 0.8812 0.2409 0.0001  -0.0175 0.0323  299 THR A C   
797  O O   . THR A 123 ? 0.2742 0.8727 0.2217 0.0046  -0.0226 0.0371  299 THR A O   
798  C CB  . THR A 123 ? 0.2889 0.8983 0.2175 -0.0154 -0.0135 0.0080  299 THR A CB  
799  O OG1 . THR A 123 ? 0.2798 0.9225 0.2033 -0.0120 -0.0200 0.0148  299 THR A OG1 
800  C CG2 . THR A 123 ? 0.2841 0.8948 0.2112 -0.0270 -0.0095 -0.0139 299 THR A CG2 
801  N N   . LEU A 124 ? 0.3019 0.8693 0.2438 0.0044  -0.0142 0.0432  300 LEU A N   
802  C CA  . LEU A 124 ? 0.3090 0.8686 0.2538 0.0144  -0.0153 0.0617  300 LEU A CA  
803  C C   . LEU A 124 ? 0.3367 0.9115 0.2709 0.0182  -0.0148 0.0748  300 LEU A C   
804  O O   . LEU A 124 ? 0.3315 0.9184 0.2564 0.0126  -0.0126 0.0691  300 LEU A O   
805  C CB  . LEU A 124 ? 0.3197 0.8456 0.2725 0.0151  -0.0110 0.0636  300 LEU A CB  
806  C CG  . LEU A 124 ? 0.2908 0.7997 0.2520 0.0106  -0.0103 0.0506  300 LEU A CG  
807  C CD1 . LEU A 124 ? 0.2817 0.7622 0.2489 0.0111  -0.0064 0.0529  300 LEU A CD1 
808  C CD2 . LEU A 124 ? 0.2920 0.8070 0.2595 0.0142  -0.0145 0.0508  300 LEU A CD2 
809  N N   . ASP A 125 ? 0.3721 0.9466 0.3077 0.0281  -0.0163 0.0927  301 ASP A N   
810  C CA  . ASP A 125 ? 0.3803 0.9623 0.3069 0.0334  -0.0144 0.1098  301 ASP A CA  
811  C C   . ASP A 125 ? 0.3808 0.9296 0.3140 0.0362  -0.0087 0.1201  301 ASP A C   
812  O O   . ASP A 125 ? 0.3270 0.8515 0.2708 0.0341  -0.0072 0.1130  301 ASP A O   
813  C CB  . ASP A 125 ? 0.4234 1.0311 0.3465 0.0435  -0.0200 0.1241  301 ASP A CB  
814  C CG  . ASP A 125 ? 0.4588 1.0528 0.3941 0.0534  -0.0219 0.1330  301 ASP A CG  
815  O OD1 . ASP A 125 ? 0.4972 1.0586 0.4413 0.0548  -0.0175 0.1358  301 ASP A OD1 
816  O OD2 . ASP A 125 ? 0.5021 1.1200 0.4386 0.0601  -0.0278 0.1368  301 ASP A OD2 
817  N N   . THR A 126 ? 0.3905 0.9395 0.3174 0.0402  -0.0051 0.1366  302 THR A N   
818  C CA  . THR A 126 ? 0.4117 0.9305 0.3448 0.0416  0.0014  0.1471  302 THR A CA  
819  C C   . THR A 126 ? 0.4011 0.8974 0.3473 0.0473  0.0005  0.1492  302 THR A C   
820  O O   . THR A 126 ? 0.3608 0.8328 0.3160 0.0429  0.0034  0.1414  302 THR A O   
821  C CB  . THR A 126 ? 0.4516 0.9758 0.3758 0.0469  0.0052  0.1681  302 THR A CB  
822  O OG1 . THR A 126 ? 0.4388 0.9804 0.3513 0.0400  0.0077  0.1643  302 THR A OG1 
823  C CG2 . THR A 126 ? 0.4798 0.9711 0.4122 0.0483  0.0126  0.1797  302 THR A CG2 
824  N N   . VAL A 127 ? 0.4045 0.9120 0.3514 0.0574  -0.0036 0.1590  303 VAL A N   
825  C CA  . VAL A 127 ? 0.4080 0.8963 0.3666 0.0653  -0.0035 0.1640  303 VAL A CA  
826  C C   . VAL A 127 ? 0.3673 0.8460 0.3353 0.0602  -0.0058 0.1455  303 VAL A C   
827  O O   . VAL A 127 ? 0.3674 0.8198 0.3447 0.0604  -0.0026 0.1437  303 VAL A O   
828  C CB  . VAL A 127 ? 0.4430 0.9524 0.4000 0.0785  -0.0079 0.1785  303 VAL A CB  
829  C CG1 . VAL A 127 ? 0.4554 0.9468 0.4253 0.0882  -0.0073 0.1830  303 VAL A CG1 
830  C CG2 . VAL A 127 ? 0.4633 0.9805 0.4100 0.0844  -0.0049 0.1993  303 VAL A CG2 
831  N N   . SER A 128 ? 0.3413 0.8417 0.3063 0.0549  -0.0107 0.1317  304 SER A N   
832  C CA  . SER A 128 ? 0.2990 0.7932 0.2716 0.0500  -0.0127 0.1153  304 SER A CA  
833  C C   . SER A 128 ? 0.2848 0.7578 0.2592 0.0405  -0.0087 0.1039  304 SER A C   
834  O O   . SER A 128 ? 0.2383 0.6953 0.2203 0.0384  -0.0083 0.0952  304 SER A O   
835  C CB  . SER A 128 ? 0.2953 0.8189 0.2641 0.0460  -0.0181 0.1041  304 SER A CB  
836  O OG  . SER A 128 ? 0.3124 0.8502 0.2707 0.0387  -0.0175 0.0991  304 SER A OG  
837  N N   . CYS A 129 ? 0.2631 0.7390 0.2302 0.0352  -0.0059 0.1039  305 CYS A N   
838  C CA  . CYS A 129 ? 0.2656 0.7230 0.2352 0.0280  -0.0017 0.0961  305 CYS A CA  
839  C C   . CYS A 129 ? 0.2646 0.6957 0.2423 0.0301  0.0021  0.1030  305 CYS A C   
840  O O   . CYS A 129 ? 0.2416 0.6567 0.2265 0.0271  0.0026  0.0942  305 CYS A O   
841  C CB  . CYS A 129 ? 0.2784 0.7463 0.2395 0.0229  0.0012  0.0957  305 CYS A CB  
842  S SG  . CYS A 129 ? 0.3043 0.7526 0.2703 0.0155  0.0067  0.0883  305 CYS A SG  
843  N N   . LEU A 130 ? 0.2705 0.6974 0.2469 0.0351  0.0050  0.1186  306 LEU A N   
844  C CA  . LEU A 130 ? 0.2923 0.6931 0.2768 0.0363  0.0099  0.1250  306 LEU A CA  
845  C C   . LEU A 130 ? 0.3110 0.6975 0.3047 0.0406  0.0084  0.1211  306 LEU A C   
846  O O   . LEU A 130 ? 0.2884 0.6550 0.2891 0.0368  0.0110  0.1152  306 LEU A O   
847  C CB  . LEU A 130 ? 0.3193 0.7171 0.3003 0.0415  0.0144  0.1440  306 LEU A CB  
848  C CG  . LEU A 130 ? 0.3239 0.7284 0.2975 0.0353  0.0188  0.1485  306 LEU A CG  
849  C CD1 . LEU A 130 ? 0.3388 0.7409 0.3079 0.0405  0.0239  0.1692  306 LEU A CD1 
850  C CD2 . LEU A 130 ? 0.3096 0.6986 0.2898 0.0254  0.0229  0.1385  306 LEU A CD2 
851  N N   . ARG A 131 ? 0.3133 0.7128 0.3068 0.0482  0.0041  0.1234  307 ARG A N   
852  C CA  . ARG A 131 ? 0.3206 0.7111 0.3224 0.0530  0.0027  0.1191  307 ARG A CA  
853  C C   . ARG A 131 ? 0.3093 0.6945 0.3144 0.0456  0.0011  0.1020  307 ARG A C   
854  O O   . ARG A 131 ? 0.3092 0.6755 0.3212 0.0449  0.0033  0.0971  307 ARG A O   
855  C CB  . ARG A 131 ? 0.3520 0.7651 0.3528 0.0620  -0.0021 0.1245  307 ARG A CB  
856  C CG  . ARG A 131 ? 0.3615 0.7704 0.3712 0.0681  -0.0033 0.1206  307 ARG A CG  
857  C CD  . ARG A 131 ? 0.3793 0.8154 0.3889 0.0766  -0.0083 0.1261  307 ARG A CD  
858  N NE  . ARG A 131 ? 0.3990 0.8365 0.4083 0.0883  -0.0067 0.1449  307 ARG A NE  
859  C CZ  . ARG A 131 ? 0.4222 0.8878 0.4272 0.0958  -0.0110 0.1549  307 ARG A CZ  
860  N NH1 . ARG A 131 ? 0.4085 0.9049 0.4094 0.0916  -0.0173 0.1463  307 ARG A NH1 
861  N NH2 . ARG A 131 ? 0.4518 0.9149 0.4566 0.1076  -0.0086 0.1741  307 ARG A NH2 
862  N N   . ILE A 132 ? 0.2826 0.6840 0.2825 0.0399  -0.0020 0.0930  308 ILE A N   
863  C CA  . ILE A 132 ? 0.2696 0.6654 0.2715 0.0330  -0.0026 0.0788  308 ILE A CA  
864  C C   . ILE A 132 ? 0.2682 0.6442 0.2733 0.0280  0.0010  0.0760  308 ILE A C   
865  O O   . ILE A 132 ? 0.2362 0.5995 0.2465 0.0272  0.0013  0.0700  308 ILE A O   
866  C CB  . ILE A 132 ? 0.2839 0.6964 0.2793 0.0270  -0.0045 0.0706  308 ILE A CB  
867  C CG1 . ILE A 132 ? 0.2976 0.7299 0.2920 0.0291  -0.0085 0.0679  308 ILE A CG1 
868  C CG2 . ILE A 132 ? 0.2781 0.6805 0.2751 0.0204  -0.0035 0.0588  308 ILE A CG2 
869  C CD1 . ILE A 132 ? 0.3102 0.7603 0.2978 0.0228  -0.0098 0.0599  308 ILE A CD1 
870  N N   . VAL A 133 ? 0.2412 0.6173 0.2432 0.0243  0.0037  0.0798  309 VAL A N   
871  C CA  . VAL A 133 ? 0.2560 0.6186 0.2620 0.0184  0.0067  0.0755  309 VAL A CA  
872  C C   . VAL A 133 ? 0.2674 0.6107 0.2804 0.0194  0.0101  0.0800  309 VAL A C   
873  O O   . VAL A 133 ? 0.2604 0.5929 0.2786 0.0152  0.0108  0.0723  309 VAL A O   
874  C CB  . VAL A 133 ? 0.2560 0.6261 0.2582 0.0134  0.0092  0.0765  309 VAL A CB  
875  C CG1 . VAL A 133 ? 0.2573 0.6432 0.2536 0.0114  0.0070  0.0686  309 VAL A CG1 
876  C CG2 . VAL A 133 ? 0.2758 0.6484 0.2745 0.0153  0.0126  0.0899  309 VAL A CG2 
877  N N   . LEU A 134 ? 0.2668 0.6058 0.2800 0.0249  0.0124  0.0919  310 LEU A N   
878  C CA  . LEU A 134 ? 0.2927 0.6103 0.3132 0.0262  0.0168  0.0954  310 LEU A CA  
879  C C   . LEU A 134 ? 0.3047 0.6147 0.3302 0.0283  0.0148  0.0859  310 LEU A C   
880  O O   . LEU A 134 ? 0.3042 0.5996 0.3352 0.0241  0.0170  0.0791  310 LEU A O   
881  C CB  . LEU A 134 ? 0.3122 0.6260 0.3319 0.0341  0.0200  0.1113  310 LEU A CB  
882  C CG  . LEU A 134 ? 0.3319 0.6207 0.3596 0.0370  0.0260  0.1164  310 LEU A CG  
883  C CD1 . LEU A 134 ? 0.3465 0.6182 0.3797 0.0267  0.0314  0.1113  310 LEU A CD1 
884  C CD2 . LEU A 134 ? 0.3533 0.6402 0.3790 0.0461  0.0294  0.1347  310 LEU A CD2 
885  N N   . SER A 135 ? 0.2979 0.6198 0.3212 0.0342  0.0107  0.0847  311 SER A N   
886  C CA  . SER A 135 ? 0.2813 0.5976 0.3092 0.0374  0.0096  0.0773  311 SER A CA  
887  C C   . SER A 135 ? 0.2752 0.5883 0.3035 0.0299  0.0083  0.0639  311 SER A C   
888  O O   . SER A 135 ? 0.2842 0.5858 0.3167 0.0296  0.0097  0.0577  311 SER A O   
889  C CB  . SER A 135 ? 0.2633 0.5975 0.2892 0.0439  0.0056  0.0786  311 SER A CB  
890  O OG  . SER A 135 ? 0.2385 0.5895 0.2587 0.0389  0.0016  0.0726  311 SER A OG  
891  N N   . ILE A 136 ? 0.2535 0.5775 0.2772 0.0247  0.0058  0.0600  312 ILE A N   
892  C CA  . ILE A 136 ? 0.2472 0.5700 0.2710 0.0187  0.0046  0.0499  312 ILE A CA  
893  C C   . ILE A 136 ? 0.2603 0.5708 0.2887 0.0135  0.0075  0.0479  312 ILE A C   
894  O O   . ILE A 136 ? 0.2660 0.5717 0.2966 0.0106  0.0069  0.0397  312 ILE A O   
895  C CB  . ILE A 136 ? 0.2339 0.5693 0.2527 0.0153  0.0026  0.0476  312 ILE A CB  
896  C CG1 . ILE A 136 ? 0.2353 0.5834 0.2500 0.0181  0.0000  0.0468  312 ILE A CG1 
897  C CG2 . ILE A 136 ? 0.2374 0.5711 0.2570 0.0109  0.0016  0.0390  312 ILE A CG2 
898  C CD1 . ILE A 136 ? 0.2341 0.5946 0.2436 0.0154  -0.0005 0.0461  312 ILE A CD1 
899  N N   . ALA A 137 ? 0.2947 0.6022 0.3244 0.0117  0.0107  0.0553  313 ALA A N   
900  C CA  . ALA A 137 ? 0.3155 0.6112 0.3511 0.0056  0.0146  0.0540  313 ALA A CA  
901  C C   . ALA A 137 ? 0.3596 0.6391 0.4006 0.0064  0.0172  0.0505  313 ALA A C   
902  O O   . ALA A 137 ? 0.3418 0.6149 0.3872 0.0000  0.0183  0.0420  313 ALA A O   
903  C CB  . ALA A 137 ? 0.3248 0.6184 0.3606 0.0044  0.0190  0.0649  313 ALA A CB  
904  N N   . SER A 138 ? 0.3716 0.6456 0.4124 0.0145  0.0184  0.0566  314 SER A N   
905  C CA  A SER A 138 ? 0.4061 0.6632 0.4525 0.0168  0.0221  0.0534  314 SER A CA  
906  C CA  B SER A 138 ? 0.3972 0.6544 0.4435 0.0171  0.0220  0.0535  314 SER A CA  
907  C C   . SER A 138 ? 0.4069 0.6675 0.4524 0.0159  0.0187  0.0405  314 SER A C   
908  O O   . SER A 138 ? 0.4232 0.6730 0.4727 0.0118  0.0211  0.0315  314 SER A O   
909  C CB  A SER A 138 ? 0.4341 0.6863 0.4814 0.0275  0.0244  0.0645  314 SER A CB  
910  C CB  B SER A 138 ? 0.4095 0.6633 0.4563 0.0280  0.0239  0.0643  314 SER A CB  
911  O OG  A SER A 138 ? 0.4665 0.6968 0.5207 0.0291  0.0308  0.0639  314 SER A OG  
912  O OG  B SER A 138 ? 0.4079 0.6634 0.4527 0.0301  0.0259  0.0780  314 SER A OG  
913  N N   . GLY A 139 ? 0.3776 0.6540 0.4176 0.0188  0.0137  0.0393  315 GLY A N   
914  C CA  . GLY A 139 ? 0.3459 0.6280 0.3835 0.0176  0.0106  0.0290  315 GLY A CA  
915  C C   . GLY A 139 ? 0.3497 0.6326 0.3873 0.0094  0.0094  0.0204  315 GLY A C   
916  O O   . GLY A 139 ? 0.3140 0.5932 0.3522 0.0073  0.0096  0.0113  315 GLY A O   
917  N N   . LEU A 140 ? 0.3338 0.6234 0.3709 0.0050  0.0082  0.0232  316 LEU A N   
918  C CA  . LEU A 140 ? 0.3106 0.6045 0.3491 -0.0022 0.0067  0.0160  316 LEU A CA  
919  C C   . LEU A 140 ? 0.2835 0.5658 0.3286 -0.0081 0.0104  0.0108  316 LEU A C   
920  O O   . LEU A 140 ? 0.3008 0.5851 0.3468 -0.0125 0.0091  0.0009  316 LEU A O   
921  C CB  . LEU A 140 ? 0.3158 0.6201 0.3538 -0.0047 0.0055  0.0201  316 LEU A CB  
922  C CG  . LEU A 140 ? 0.3165 0.6321 0.3548 -0.0085 0.0022  0.0136  316 LEU A CG  
923  C CD1 . LEU A 140 ? 0.3056 0.6268 0.3378 -0.0045 -0.0015 0.0098  316 LEU A CD1 
924  C CD2 . LEU A 140 ? 0.3097 0.6352 0.3488 -0.0098 0.0022  0.0178  316 LEU A CD2 
925  N N   . ALA A 141 ? 0.2707 0.5408 0.3202 -0.0083 0.0155  0.0175  317 ALA A N   
926  C CA  . ALA A 141 ? 0.2758 0.5315 0.3326 -0.0150 0.0207  0.0128  317 ALA A CA  
927  C C   . ALA A 141 ? 0.2779 0.5238 0.3356 -0.0142 0.0221  0.0028  317 ALA A C   
928  O O   . ALA A 141 ? 0.2813 0.5256 0.3425 -0.0221 0.0229  -0.0083 317 ALA A O   
929  C CB  . ALA A 141 ? 0.2840 0.5255 0.3445 -0.0140 0.0271  0.0242  317 ALA A CB  
930  N N   . HIS A 142 ? 0.2811 0.5226 0.3361 -0.0051 0.0225  0.0060  318 HIS A N   
931  C CA  . HIS A 142 ? 0.3043 0.5385 0.3598 -0.0033 0.0242  -0.0040 318 HIS A CA  
932  C C   . HIS A 142 ? 0.3011 0.5490 0.3519 -0.0081 0.0193  -0.0166 318 HIS A C   
933  O O   . HIS A 142 ? 0.3250 0.5673 0.3780 -0.0137 0.0216  -0.0286 318 HIS A O   
934  C CB  . HIS A 142 ? 0.3166 0.5492 0.3703 0.0084  0.0248  0.0024  318 HIS A CB  
935  C CG  . HIS A 142 ? 0.3423 0.5685 0.3968 0.0115  0.0274  -0.0075 318 HIS A CG  
936  N ND1 . HIS A 142 ? 0.3781 0.5836 0.4393 0.0116  0.0348  -0.0122 318 HIS A ND1 
937  C CD2 . HIS A 142 ? 0.3460 0.5832 0.3953 0.0147  0.0245  -0.0135 318 HIS A CD2 
938  C CE1 . HIS A 142 ? 0.3746 0.5798 0.4347 0.0151  0.0362  -0.0216 318 HIS A CE1 
939  N NE2 . HIS A 142 ? 0.3680 0.5931 0.4207 0.0169  0.0299  -0.0222 318 HIS A NE2 
940  N N   . LEU A 143 ? 0.2809 0.5464 0.3250 -0.0060 0.0132  -0.0139 319 LEU A N   
941  C CA  . LEU A 143 ? 0.2825 0.5625 0.3215 -0.0097 0.0084  -0.0224 319 LEU A CA  
942  C C   . LEU A 143 ? 0.3001 0.5843 0.3431 -0.0196 0.0077  -0.0302 319 LEU A C   
943  O O   . LEU A 143 ? 0.3034 0.5943 0.3444 -0.0239 0.0060  -0.0414 319 LEU A O   
944  C CB  . LEU A 143 ? 0.2679 0.5630 0.3009 -0.0062 0.0033  -0.0157 319 LEU A CB  
945  C CG  . LEU A 143 ? 0.2808 0.5787 0.3084 0.0014  0.0025  -0.0112 319 LEU A CG  
946  C CD1 . LEU A 143 ? 0.2803 0.5894 0.3039 0.0029  -0.0010 -0.0049 319 LEU A CD1 
947  C CD2 . LEU A 143 ? 0.2980 0.5989 0.3207 0.0026  0.0023  -0.0190 319 LEU A CD2 
948  N N   . HIS A 144 ? 0.3112 0.5949 0.3598 -0.0235 0.0087  -0.0246 320 HIS A N   
949  C CA  . HIS A 144 ? 0.3112 0.6041 0.3650 -0.0333 0.0074  -0.0310 320 HIS A CA  
950  C C   . HIS A 144 ? 0.3362 0.6170 0.3967 -0.0420 0.0124  -0.0420 320 HIS A C   
951  O O   . HIS A 144 ? 0.3434 0.6355 0.4066 -0.0506 0.0103  -0.0525 320 HIS A O   
952  C CB  . HIS A 144 ? 0.3062 0.6024 0.3645 -0.0352 0.0083  -0.0215 320 HIS A CB  
953  C CG  . HIS A 144 ? 0.2998 0.6128 0.3532 -0.0301 0.0030  -0.0155 320 HIS A CG  
954  N ND1 . HIS A 144 ? 0.2948 0.6170 0.3519 -0.0321 0.0028  -0.0101 320 HIS A ND1 
955  C CD2 . HIS A 144 ? 0.2923 0.6138 0.3378 -0.0232 -0.0014 -0.0145 320 HIS A CD2 
956  C CE1 . HIS A 144 ? 0.2811 0.6155 0.3329 -0.0261 -0.0013 -0.0065 320 HIS A CE1 
957  N NE2 . HIS A 144 ? 0.2780 0.6114 0.3227 -0.0210 -0.0039 -0.0088 320 HIS A NE2 
958  N N   . ILE A 145 ? 0.3589 0.6172 0.4225 -0.0396 0.0192  -0.0396 321 ILE A N   
959  C CA  . ILE A 145 ? 0.4034 0.6448 0.4743 -0.0478 0.0260  -0.0501 321 ILE A CA  
960  C C   . ILE A 145 ? 0.4196 0.6619 0.4862 -0.0479 0.0254  -0.0643 321 ILE A C   
961  O O   . ILE A 145 ? 0.4481 0.6965 0.5068 -0.0389 0.0222  -0.0624 321 ILE A O   
962  C CB  . ILE A 145 ? 0.4323 0.6460 0.5096 -0.0452 0.0352  -0.0417 321 ILE A CB  
963  C CG1 . ILE A 145 ? 0.4501 0.6566 0.5226 -0.0307 0.0358  -0.0301 321 ILE A CG1 
964  C CG2 . ILE A 145 ? 0.4293 0.6420 0.5122 -0.0505 0.0377  -0.0318 321 ILE A CG2 
965  C CD1 . ILE A 145 ? 0.4724 0.6703 0.5428 -0.0244 0.0379  -0.0377 321 ILE A CD1 
966  N N   . GLU A 146 ? 0.4192 0.6573 0.4912 -0.0590 0.0287  -0.0791 322 GLU A N   
967  C CA  . GLU A 146 ? 0.4246 0.6605 0.4934 -0.0608 0.0302  -0.0947 322 GLU A CA  
968  C C   . GLU A 146 ? 0.4491 0.6532 0.5253 -0.0603 0.0411  -0.0968 322 GLU A C   
969  O O   . GLU A 146 ? 0.4679 0.6559 0.5536 -0.0676 0.0475  -0.0958 322 GLU A O   
970  C CB  . GLU A 146 ? 0.4277 0.6812 0.4979 -0.0744 0.0270  -0.1114 322 GLU A CB  
971  C CG  . GLU A 146 ? 0.4404 0.6939 0.5061 -0.0774 0.0287  -0.1295 322 GLU A CG  
972  C CD  . GLU A 146 ? 0.4476 0.7230 0.5136 -0.0910 0.0246  -0.1470 322 GLU A CD  
973  O OE1 . GLU A 146 ? 0.4374 0.7298 0.5082 -0.0982 0.0200  -0.1451 322 GLU A OE1 
974  O OE2 . GLU A 146 ? 0.4523 0.7298 0.5135 -0.0943 0.0259  -0.1632 322 GLU A OE2 
975  N N   . ILE A 147 ? 0.4585 0.6533 0.5308 -0.0511 0.0440  -0.0993 323 ILE A N   
976  C CA  . ILE A 147 ? 0.4808 0.6455 0.5602 -0.0491 0.0549  -0.1037 323 ILE A CA  
977  C C   . ILE A 147 ? 0.4995 0.6654 0.5770 -0.0565 0.0573  -0.1265 323 ILE A C   
978  O O   . ILE A 147 ? 0.4909 0.6778 0.5585 -0.0544 0.0512  -0.1334 323 ILE A O   
979  C CB  . ILE A 147 ? 0.4752 0.6301 0.5531 -0.0322 0.0571  -0.0897 323 ILE A CB  
980  C CG1 . ILE A 147 ? 0.4647 0.6242 0.5427 -0.0263 0.0534  -0.0688 323 ILE A CG1 
981  C CG2 . ILE A 147 ? 0.4949 0.6180 0.5814 -0.0279 0.0691  -0.0930 323 ILE A CG2 
982  C CD1 . ILE A 147 ? 0.4646 0.6251 0.5397 -0.0106 0.0524  -0.0548 323 ILE A CD1 
983  N N   . PHE A 148 ? 0.5306 0.6735 0.6173 -0.0656 0.0668  -0.1382 324 PHE A N   
984  C CA  . PHE A 148 ? 0.5667 0.7101 0.6524 -0.0753 0.0700  -0.1621 324 PHE A CA  
985  C C   . PHE A 148 ? 0.5792 0.7037 0.6642 -0.0640 0.0777  -0.1664 324 PHE A C   
986  O O   . PHE A 148 ? 0.5551 0.6600 0.6447 -0.0512 0.0828  -0.1515 324 PHE A O   
987  C CB  . PHE A 148 ? 0.6224 0.7493 0.7197 -0.0919 0.0775  -0.1738 324 PHE A CB  
988  C CG  . PHE A 148 ? 0.6536 0.8002 0.7538 -0.1031 0.0707  -0.1691 324 PHE A CG  
989  C CD1 . PHE A 148 ? 0.6696 0.8077 0.7755 -0.1001 0.0717  -0.1488 324 PHE A CD1 
990  C CD2 . PHE A 148 ? 0.6770 0.8528 0.7745 -0.1166 0.0636  -0.1852 324 PHE A CD2 
991  C CE1 . PHE A 148 ? 0.6573 0.8144 0.7666 -0.1101 0.0664  -0.1453 324 PHE A CE1 
992  C CE2 . PHE A 148 ? 0.6645 0.8603 0.7663 -0.1261 0.0578  -0.1812 324 PHE A CE2 
993  C CZ  . PHE A 148 ? 0.6651 0.8512 0.7732 -0.1228 0.0595  -0.1615 324 PHE A CZ  
994  N N   . GLY A 149 ? 0.5850 0.7180 0.6642 -0.0681 0.0784  -0.1867 325 GLY A N   
995  C CA  . GLY A 149 ? 0.6084 0.7235 0.6881 -0.0590 0.0874  -0.1948 325 GLY A CA  
996  C C   . GLY A 149 ? 0.5819 0.7119 0.6528 -0.0428 0.0827  -0.1840 325 GLY A C   
997  O O   . GLY A 149 ? 0.5263 0.6776 0.5909 -0.0379 0.0728  -0.1685 325 GLY A O   
998  N N   . THR A 150 ? 0.6117 0.7297 0.6832 -0.0349 0.0907  -0.1931 326 THR A N   
999  C CA  . THR A 150 ? 0.6102 0.7462 0.6729 -0.0224 0.0873  -0.1887 326 THR A CA  
1000 C C   . THR A 150 ? 0.6064 0.7434 0.6718 -0.0075 0.0840  -0.1635 326 THR A C   
1001 O O   . THR A 150 ? 0.6182 0.7786 0.6749 -0.0012 0.0771  -0.1563 326 THR A O   
1002 C CB  . THR A 150 ? 0.6525 0.7777 0.7156 -0.0187 0.0975  -0.2075 326 THR A CB  
1003 O OG1 . THR A 150 ? 0.6874 0.7758 0.7649 -0.0132 0.1102  -0.2076 326 THR A OG1 
1004 C CG2 . THR A 150 ? 0.6633 0.7996 0.7192 -0.0349 0.0974  -0.2334 326 THR A CG2 
1005 N N   . GLN A 151 ? 0.6192 0.7332 0.6956 -0.0031 0.0883  -0.1497 327 GLN A N   
1006 C CA  . GLN A 151 ? 0.5795 0.6991 0.6574 0.0083  0.0833  -0.1253 327 GLN A CA  
1007 C C   . GLN A 151 ? 0.5718 0.7072 0.6454 0.0002  0.0734  -0.1146 327 GLN A C   
1008 O O   . GLN A 151 ? 0.5587 0.6942 0.6348 0.0066  0.0705  -0.0956 327 GLN A O   
1009 C CB  . GLN A 151 ? 0.5798 0.6697 0.6705 0.0189  0.0927  -0.1135 327 GLN A CB  
1010 C CG  . GLN A 151 ? 0.5843 0.6604 0.6807 0.0313  0.1024  -0.1201 327 GLN A CG  
1011 C CD  . GLN A 151 ? 0.5421 0.6429 0.6331 0.0433  0.0974  -0.1147 327 GLN A CD  
1012 O OE1 . GLN A 151 ? 0.5062 0.6211 0.5964 0.0508  0.0908  -0.0966 327 GLN A OE1 
1013 N NE2 . GLN A 151 ? 0.5500 0.6571 0.6376 0.0443  0.1011  -0.1311 327 GLN A NE2 
1014 N N   . GLY A 152 ? 0.5646 0.7152 0.6317 -0.0133 0.0682  -0.1271 328 GLY A N   
1015 C CA  . GLY A 152 ? 0.5286 0.6928 0.5937 -0.0219 0.0603  -0.1201 328 GLY A CA  
1016 C C   . GLY A 152 ? 0.4908 0.6862 0.5443 -0.0205 0.0493  -0.1153 328 GLY A C   
1017 O O   . GLY A 152 ? 0.4635 0.6686 0.5111 -0.0110 0.0476  -0.1115 328 GLY A O   
1018 N N   . LYS A 153 ? 0.4508 0.6614 0.5020 -0.0298 0.0425  -0.1148 329 LYS A N   
1019 C CA  . LYS A 153 ? 0.4139 0.6517 0.4550 -0.0286 0.0326  -0.1089 329 LYS A CA  
1020 C C   . LYS A 153 ? 0.4086 0.6614 0.4498 -0.0403 0.0269  -0.1131 329 LYS A C   
1021 O O   . LYS A 153 ? 0.3876 0.6289 0.4380 -0.0489 0.0305  -0.1169 329 LYS A O   
1022 C CB  . LYS A 153 ? 0.3993 0.6386 0.4402 -0.0183 0.0298  -0.0892 329 LYS A CB  
1023 C CG  . LYS A 153 ? 0.4070 0.6305 0.4573 -0.0182 0.0327  -0.0775 329 LYS A CG  
1024 C CD  . LYS A 153 ? 0.3863 0.6159 0.4349 -0.0093 0.0290  -0.0596 329 LYS A CD  
1025 C CE  . LYS A 153 ? 0.3595 0.6111 0.4015 -0.0118 0.0206  -0.0548 329 LYS A CE  
1026 N NZ  . LYS A 153 ? 0.3654 0.6199 0.4115 -0.0214 0.0190  -0.0558 329 LYS A NZ  
1027 N N   . PRO A 154 ? 0.3905 0.6693 0.4221 -0.0404 0.0185  -0.1122 330 PRO A N   
1028 C CA  . PRO A 154 ? 0.3740 0.6704 0.4065 -0.0481 0.0121  -0.1117 330 PRO A CA  
1029 C C   . PRO A 154 ? 0.3500 0.6446 0.3869 -0.0436 0.0100  -0.0940 330 PRO A C   
1030 O O   . PRO A 154 ? 0.3326 0.6182 0.3682 -0.0339 0.0115  -0.0820 330 PRO A O   
1031 C CB  . PRO A 154 ? 0.3698 0.6930 0.3898 -0.0464 0.0047  -0.1145 330 PRO A CB  
1032 C CG  . PRO A 154 ? 0.3652 0.6842 0.3777 -0.0355 0.0063  -0.1079 330 PRO A CG  
1033 C CD  . PRO A 154 ? 0.3788 0.6716 0.3988 -0.0325 0.0151  -0.1099 330 PRO A CD  
1034 N N   . ALA A 155 ? 0.3221 0.6265 0.3643 -0.0511 0.0070  -0.0935 331 ALA A N   
1035 C CA  . ALA A 155 ? 0.3025 0.6116 0.3469 -0.0474 0.0040  -0.0787 331 ALA A CA  
1036 C C   . ALA A 155 ? 0.2793 0.6056 0.3135 -0.0388 -0.0025 -0.0709 331 ALA A C   
1037 O O   . ALA A 155 ? 0.2621 0.6048 0.2889 -0.0390 -0.0069 -0.0771 331 ALA A O   
1038 C CB  . ALA A 155 ? 0.3114 0.6310 0.3642 -0.0576 0.0025  -0.0817 331 ALA A CB  
1039 N N   . ILE A 156 ? 0.2670 0.5888 0.3005 -0.0313 -0.0026 -0.0572 332 ILE A N   
1040 C CA  . ILE A 156 ? 0.2562 0.5900 0.2812 -0.0237 -0.0072 -0.0493 332 ILE A CA  
1041 C C   . ILE A 156 ? 0.2308 0.5691 0.2586 -0.0213 -0.0090 -0.0382 332 ILE A C   
1042 O O   . ILE A 156 ? 0.2307 0.5575 0.2638 -0.0209 -0.0056 -0.0319 332 ILE A O   
1043 C CB  . ILE A 156 ? 0.2604 0.5845 0.2801 -0.0158 -0.0045 -0.0452 332 ILE A CB  
1044 C CG1 . ILE A 156 ? 0.2938 0.6142 0.3103 -0.0169 -0.0018 -0.0567 332 ILE A CG1 
1045 C CG2 . ILE A 156 ? 0.2435 0.5787 0.2551 -0.0096 -0.0082 -0.0373 332 ILE A CG2 
1046 C CD1 . ILE A 156 ? 0.3071 0.6133 0.3241 -0.0104 0.0034  -0.0542 332 ILE A CD1 
1047 N N   . ALA A 157 ? 0.2057 0.5604 0.2291 -0.0187 -0.0140 -0.0351 333 ALA A N   
1048 C CA  . ALA A 157 ? 0.1931 0.5521 0.2183 -0.0152 -0.0152 -0.0254 333 ALA A CA  
1049 C C   . ALA A 157 ? 0.1825 0.5421 0.1995 -0.0074 -0.0161 -0.0187 333 ALA A C   
1050 O O   . ALA A 157 ? 0.1837 0.5501 0.1935 -0.0052 -0.0183 -0.0207 333 ALA A O   
1051 C CB  . ALA A 157 ? 0.1906 0.5682 0.2203 -0.0182 -0.0193 -0.0268 333 ALA A CB  
1052 N N   . HIS A 158 ? 0.1779 0.5312 0.1957 -0.0039 -0.0142 -0.0108 334 HIS A N   
1053 C CA  . HIS A 158 ? 0.1794 0.5296 0.1904 0.0019  -0.0135 -0.0055 334 HIS A CA  
1054 C C   . HIS A 158 ? 0.1787 0.5386 0.1859 0.0056  -0.0160 -0.0017 334 HIS A C   
1055 O O   . HIS A 158 ? 0.1649 0.5263 0.1649 0.0090  -0.0163 -0.0002 334 HIS A O   
1056 C CB  . HIS A 158 ? 0.1676 0.5093 0.1813 0.0032  -0.0105 -0.0001 334 HIS A CB  
1057 C CG  . HIS A 158 ? 0.1581 0.4971 0.1665 0.0072  -0.0092 0.0035  334 HIS A CG  
1058 N ND1 . HIS A 158 ? 0.1601 0.5025 0.1645 0.0099  -0.0096 0.0068  334 HIS A ND1 
1059 C CD2 . HIS A 158 ? 0.1495 0.4831 0.1568 0.0088  -0.0072 0.0041  334 HIS A CD2 
1060 C CE1 . HIS A 158 ? 0.1429 0.4816 0.1440 0.0114  -0.0075 0.0085  334 HIS A CE1 
1061 N NE2 . HIS A 158 ? 0.1380 0.4732 0.1411 0.0109  -0.0064 0.0069  334 HIS A NE2 
1062 N N   . ARG A 159 ? 0.1981 0.5641 0.2109 0.0054  -0.0169 0.0007  335 ARG A N   
1063 C CA  . ARG A 159 ? 0.2218 0.5975 0.2338 0.0100  -0.0188 0.0048  335 ARG A CA  
1064 C C   . ARG A 159 ? 0.2233 0.5920 0.2316 0.0153  -0.0160 0.0110  335 ARG A C   
1065 O O   . ARG A 159 ? 0.2512 0.6244 0.2583 0.0204  -0.0164 0.0152  335 ARG A O   
1066 C CB  . ARG A 159 ? 0.2605 0.6481 0.2677 0.0116  -0.0227 0.0029  335 ARG A CB  
1067 C CG  . ARG A 159 ? 0.3070 0.7043 0.3185 0.0051  -0.0255 -0.0055 335 ARG A CG  
1068 C CD  . ARG A 159 ? 0.3610 0.7746 0.3667 0.0068  -0.0301 -0.0076 335 ARG A CD  
1069 N NE  . ARG A 159 ? 0.4090 0.8321 0.4123 0.0150  -0.0321 0.0009  335 ARG A NE  
1070 C CZ  . ARG A 159 ? 0.4735 0.9043 0.4676 0.0206  -0.0342 0.0051  335 ARG A CZ  
1071 N NH1 . ARG A 159 ? 0.4665 0.8985 0.4516 0.0186  -0.0348 0.0009  335 ARG A NH1 
1072 N NH2 . ARG A 159 ? 0.5048 0.9421 0.4986 0.0290  -0.0350 0.0142  335 ARG A NH2 
1073 N N   . ASP A 160 ? 0.2372 0.5951 0.2445 0.0140  -0.0128 0.0116  336 ASP A N   
1074 C CA  . ASP A 160 ? 0.2400 0.5912 0.2444 0.0169  -0.0095 0.0154  336 ASP A CA  
1075 C C   . ASP A 160 ? 0.2415 0.5863 0.2469 0.0141  -0.0071 0.0147  336 ASP A C   
1076 O O   . ASP A 160 ? 0.2521 0.5917 0.2538 0.0144  -0.0049 0.0152  336 ASP A O   
1077 C CB  . ASP A 160 ? 0.2639 0.6119 0.2609 0.0197  -0.0087 0.0174  336 ASP A CB  
1078 C CG  . ASP A 160 ? 0.2797 0.6201 0.2747 0.0220  -0.0045 0.0209  336 ASP A CG  
1079 O OD1 . ASP A 160 ? 0.2647 0.6043 0.2635 0.0233  -0.0029 0.0218  336 ASP A OD1 
1080 O OD2 . ASP A 160 ? 0.3650 0.6998 0.3548 0.0219  -0.0021 0.0221  336 ASP A OD2 
1081 N N   . LEU A 161 ? 0.2168 0.5632 0.2272 0.0113  -0.0074 0.0138  337 LEU A N   
1082 C CA  . LEU A 161 ? 0.2218 0.5648 0.2329 0.0098  -0.0055 0.0148  337 LEU A CA  
1083 C C   . LEU A 161 ? 0.2102 0.5538 0.2202 0.0106  -0.0031 0.0161  337 LEU A C   
1084 O O   . LEU A 161 ? 0.2001 0.5469 0.2122 0.0117  -0.0024 0.0165  337 LEU A O   
1085 C CB  . LEU A 161 ? 0.2260 0.5698 0.2422 0.0069  -0.0056 0.0152  337 LEU A CB  
1086 C CG  . LEU A 161 ? 0.2502 0.5907 0.2665 0.0064  -0.0040 0.0179  337 LEU A CG  
1087 C CD1 . LEU A 161 ? 0.2522 0.5882 0.2665 0.0080  -0.0042 0.0170  337 LEU A CD1 
1088 C CD2 . LEU A 161 ? 0.2603 0.5996 0.2818 0.0035  -0.0029 0.0198  337 LEU A CD2 
1089 N N   . LYS A 162 ? 0.2052 0.5472 0.2125 0.0099  -0.0015 0.0160  338 LYS A N   
1090 C CA  . LYS A 162 ? 0.1924 0.5355 0.1981 0.0092  0.0012  0.0150  338 LYS A CA  
1091 C C   . LYS A 162 ? 0.2145 0.5603 0.2181 0.0072  0.0017  0.0142  338 LYS A C   
1092 O O   . LYS A 162 ? 0.1881 0.5340 0.1918 0.0076  0.0002  0.0149  338 LYS A O   
1093 C CB  . LYS A 162 ? 0.1982 0.5363 0.2020 0.0109  0.0035  0.0138  338 LYS A CB  
1094 C CG  . LYS A 162 ? 0.2037 0.5372 0.2046 0.0118  0.0032  0.0144  338 LYS A CG  
1095 C CD  . LYS A 162 ? 0.2170 0.5432 0.2154 0.0125  0.0073  0.0141  338 LYS A CD  
1096 C CE  . LYS A 162 ? 0.2264 0.5482 0.2210 0.0136  0.0078  0.0162  338 LYS A CE  
1097 N NZ  . LYS A 162 ? 0.2531 0.5653 0.2459 0.0151  0.0129  0.0177  338 LYS A NZ  
1098 N N   . SER A 163 ? 0.2258 0.5757 0.2280 0.0053  0.0038  0.0121  339 SER A N   
1099 C CA  . SER A 163 ? 0.2205 0.5783 0.2210 0.0031  0.0036  0.0110  339 SER A CA  
1100 C C   . SER A 163 ? 0.2431 0.6002 0.2429 0.0016  0.0039  0.0085  339 SER A C   
1101 O O   . SER A 163 ? 0.2402 0.6053 0.2408 0.0016  0.0021  0.0094  339 SER A O   
1102 C CB  . SER A 163 ? 0.2200 0.5842 0.2181 0.0004  0.0059  0.0076  339 SER A CB  
1103 O OG  . SER A 163 ? 0.2258 0.5830 0.2234 -0.0008 0.0098  0.0024  339 SER A OG  
1104 N N   . LYS A 164 ? 0.2633 0.6116 0.2623 0.0010  0.0065  0.0062  340 LYS A N   
1105 C CA  . LYS A 164 ? 0.2398 0.5861 0.2383 -0.0010 0.0080  0.0045  340 LYS A CA  
1106 C C   . LYS A 164 ? 0.2290 0.5756 0.2283 0.0017  0.0056  0.0074  340 LYS A C   
1107 O O   . LYS A 164 ? 0.2226 0.5725 0.2224 -0.0002 0.0067  0.0058  340 LYS A O   
1108 C CB  . LYS A 164 ? 0.2458 0.5806 0.2426 -0.0019 0.0125  0.0030  340 LYS A CB  
1109 C CG  . LYS A 164 ? 0.2689 0.6021 0.2654 -0.0060 0.0168  -0.0025 340 LYS A CG  
1110 C CD  . LYS A 164 ? 0.3025 0.6207 0.2980 -0.0058 0.0225  -0.0028 340 LYS A CD  
1111 C CE  . LYS A 164 ? 0.3424 0.6569 0.3383 -0.0109 0.0281  -0.0104 340 LYS A CE  
1112 N NZ  . LYS A 164 ? 0.3728 0.6698 0.3683 -0.0118 0.0355  -0.0108 340 LYS A NZ  
1113 N N   . ASN A 165 ? 0.2069 0.5512 0.2070 0.0053  0.0030  0.0105  341 ASN A N   
1114 C CA  . ASN A 165 ? 0.1943 0.5381 0.1951 0.0075  0.0015  0.0114  341 ASN A CA  
1115 C C   . ASN A 165 ? 0.1851 0.5323 0.1893 0.0098  -0.0007 0.0134  341 ASN A C   
1116 O O   . ASN A 165 ? 0.2166 0.5609 0.2220 0.0120  -0.0014 0.0134  341 ASN A O   
1117 C CB  . ASN A 165 ? 0.2026 0.5402 0.2007 0.0091  0.0014  0.0119  341 ASN A CB  
1118 C CG  . ASN A 165 ? 0.2059 0.5418 0.2052 0.0105  -0.0006 0.0131  341 ASN A CG  
1119 O OD1 . ASN A 165 ? 0.2212 0.5591 0.2237 0.0103  -0.0019 0.0139  341 ASN A OD1 
1120 N ND2 . ASN A 165 ? 0.1930 0.5269 0.1899 0.0120  -0.0009 0.0139  341 ASN A ND2 
1121 N N   . ILE A 166 ? 0.1795 0.5328 0.1849 0.0095  -0.0013 0.0151  342 ILE A N   
1122 C CA  . ILE A 166 ? 0.1827 0.5396 0.1911 0.0125  -0.0026 0.0191  342 ILE A CA  
1123 C C   . ILE A 166 ? 0.1890 0.5587 0.1982 0.0125  -0.0030 0.0188  342 ILE A C   
1124 O O   . ILE A 166 ? 0.2042 0.5808 0.2111 0.0088  -0.0025 0.0162  342 ILE A O   
1125 C CB  . ILE A 166 ? 0.1912 0.5483 0.1996 0.0124  -0.0030 0.0228  342 ILE A CB  
1126 C CG1 . ILE A 166 ? 0.1916 0.5397 0.2009 0.0114  -0.0027 0.0223  342 ILE A CG1 
1127 C CG2 . ILE A 166 ? 0.2108 0.5711 0.2216 0.0162  -0.0036 0.0289  342 ILE A CG2 
1128 C CD1 . ILE A 166 ? 0.1952 0.5449 0.2049 0.0101  -0.0021 0.0254  342 ILE A CD1 
1129 N N   . LEU A 167 ? 0.1757 0.5493 0.1885 0.0166  -0.0035 0.0206  343 LEU A N   
1130 C CA  . LEU A 167 ? 0.1948 0.5843 0.2098 0.0172  -0.0044 0.0206  343 LEU A CA  
1131 C C   . LEU A 167 ? 0.2101 0.6085 0.2267 0.0221  -0.0065 0.0276  343 LEU A C   
1132 O O   . LEU A 167 ? 0.2420 0.6309 0.2596 0.0263  -0.0062 0.0331  343 LEU A O   
1133 C CB  . LEU A 167 ? 0.1706 0.5632 0.1897 0.0194  -0.0033 0.0183  343 LEU A CB  
1134 C CG  . LEU A 167 ? 0.1691 0.5579 0.1864 0.0145  -0.0007 0.0124  343 LEU A CG  
1135 C CD1 . LEU A 167 ? 0.1662 0.5582 0.1804 0.0071  0.0006  0.0083  343 LEU A CD1 
1136 C CD2 . LEU A 167 ? 0.1691 0.5420 0.1832 0.0151  0.0006  0.0116  343 LEU A CD2 
1137 N N   . VAL A 168 ? 0.2167 0.6339 0.2333 0.0211  -0.0083 0.0273  344 VAL A N   
1138 C CA  . VAL A 168 ? 0.2187 0.6495 0.2357 0.0263  -0.0107 0.0349  344 VAL A CA  
1139 C C   . VAL A 168 ? 0.2076 0.6529 0.2313 0.0324  -0.0121 0.0370  344 VAL A C   
1140 O O   . VAL A 168 ? 0.1849 0.6429 0.2110 0.0284  -0.0123 0.0304  344 VAL A O   
1141 C CB  . VAL A 168 ? 0.2366 0.6830 0.2481 0.0207  -0.0123 0.0323  344 VAL A CB  
1142 C CG1 . VAL A 168 ? 0.2479 0.7125 0.2584 0.0266  -0.0153 0.0413  344 VAL A CG1 
1143 C CG2 . VAL A 168 ? 0.2293 0.6620 0.2353 0.0156  -0.0101 0.0297  344 VAL A CG2 
1144 N N   . LYS A 169 ? 0.2037 0.6458 0.2311 0.0419  -0.0122 0.0462  345 LYS A N   
1145 C CA  . LYS A 169 ? 0.2218 0.6787 0.2565 0.0506  -0.0134 0.0507  345 LYS A CA  
1146 C C   . LYS A 169 ? 0.2270 0.7099 0.2608 0.0543  -0.0175 0.0574  345 LYS A C   
1147 O O   . LYS A 169 ? 0.2342 0.7182 0.2609 0.0525  -0.0187 0.0619  345 LYS A O   
1148 C CB  . LYS A 169 ? 0.2324 0.6710 0.2720 0.0602  -0.0105 0.0576  345 LYS A CB  
1149 C CG  . LYS A 169 ? 0.2356 0.6547 0.2765 0.0570  -0.0069 0.0495  345 LYS A CG  
1150 C CD  . LYS A 169 ? 0.2582 0.6513 0.2992 0.0594  -0.0034 0.0522  345 LYS A CD  
1151 C CE  . LYS A 169 ? 0.2653 0.6516 0.3139 0.0708  -0.0006 0.0587  345 LYS A CE  
1152 N NZ  . LYS A 169 ? 0.2585 0.6232 0.3099 0.0708  0.0040  0.0523  345 LYS A NZ  
1153 N N   . LYS A 170 ? 0.2238 0.7295 0.2645 0.0597  -0.0198 0.0585  346 LYS A N   
1154 C CA  . LYS A 170 ? 0.2452 0.7811 0.2852 0.0638  -0.0247 0.0650  346 LYS A CA  
1155 C C   . LYS A 170 ? 0.2496 0.7816 0.2872 0.0749  -0.0251 0.0809  346 LYS A C   
1156 O O   . LYS A 170 ? 0.2796 0.8313 0.3113 0.0756  -0.0287 0.0866  346 LYS A O   
1157 C CB  . LYS A 170 ? 0.2514 0.8157 0.3015 0.0688  -0.0272 0.0637  346 LYS A CB  
1158 C CG  . LYS A 170 ? 0.2694 0.8433 0.3226 0.0571  -0.0264 0.0488  346 LYS A CG  
1159 C CD  . LYS A 170 ? 0.2694 0.8781 0.3336 0.0610  -0.0293 0.0475  346 LYS A CD  
1160 C CE  . LYS A 170 ? 0.2733 0.8758 0.3482 0.0728  -0.0263 0.0518  346 LYS A CE  
1161 N NZ  . LYS A 170 ? 0.3015 0.9427 0.3873 0.0805  -0.0302 0.0549  346 LYS A NZ  
1162 N N   . ASN A 171 ? 0.2555 0.7634 0.2976 0.0837  -0.0211 0.0881  347 ASN A N   
1163 C CA  . ASN A 171 ? 0.2713 0.7681 0.3109 0.0928  -0.0195 0.1035  347 ASN A CA  
1164 C C   . ASN A 171 ? 0.2728 0.7535 0.3021 0.0842  -0.0178 0.1041  347 ASN A C   
1165 O O   . ASN A 171 ? 0.2860 0.7558 0.3127 0.0898  -0.0155 0.1166  347 ASN A O   
1166 C CB  . ASN A 171 ? 0.2819 0.7537 0.3301 0.1032  -0.0142 0.1093  347 ASN A CB  
1167 C CG  . ASN A 171 ? 0.2833 0.7225 0.3311 0.0952  -0.0091 0.0997  347 ASN A CG  
1168 O OD1 . ASN A 171 ? 0.2641 0.6989 0.3057 0.0829  -0.0097 0.0897  347 ASN A OD1 
1169 N ND2 . ASN A 171 ? 0.2931 0.7097 0.3476 0.1026  -0.0039 0.1028  347 ASN A ND2 
1170 N N   . GLY A 172 ? 0.2610 0.7398 0.2854 0.0713  -0.0182 0.0911  348 GLY A N   
1171 C CA  . GLY A 172 ? 0.2798 0.7503 0.2952 0.0635  -0.0170 0.0905  348 GLY A CA  
1172 C C   . GLY A 172 ? 0.2936 0.7327 0.3099 0.0592  -0.0122 0.0872  348 GLY A C   
1173 O O   . GLY A 172 ? 0.3416 0.7741 0.3522 0.0514  -0.0111 0.0835  348 GLY A O   
1174 N N   . GLN A 173 ? 0.3208 0.7420 0.3447 0.0642  -0.0093 0.0876  349 GLN A N   
1175 C CA  . GLN A 173 ? 0.3252 0.7200 0.3503 0.0588  -0.0054 0.0814  349 GLN A CA  
1176 C C   . GLN A 173 ? 0.2974 0.6924 0.3215 0.0503  -0.0064 0.0674  349 GLN A C   
1177 O O   . GLN A 173 ? 0.2878 0.6988 0.3129 0.0496  -0.0089 0.0621  349 GLN A O   
1178 C CB  . GLN A 173 ? 0.3586 0.7346 0.3914 0.0662  -0.0015 0.0846  349 GLN A CB  
1179 C CG  . GLN A 173 ? 0.4063 0.7745 0.4405 0.0744  0.0015  0.0994  349 GLN A CG  
1180 C CD  . GLN A 173 ? 0.4475 0.7882 0.4888 0.0782  0.0076  0.1004  349 GLN A CD  
1181 O OE1 . GLN A 173 ? 0.4773 0.8010 0.5194 0.0706  0.0100  0.0909  349 GLN A OE1 
1182 N NE2 . GLN A 173 ? 0.4952 0.8318 0.5418 0.0903  0.0103  0.1121  349 GLN A NE2 
1183 N N   . CYS A 174 ? 0.2804 0.6582 0.3029 0.0439  -0.0043 0.0622  350 CYS A N   
1184 C CA  . CYS A 174 ? 0.2561 0.6306 0.2772 0.0369  -0.0045 0.0509  350 CYS A CA  
1185 C C   . CYS A 174 ? 0.2387 0.5973 0.2640 0.0378  -0.0022 0.0462  350 CYS A C   
1186 O O   . CYS A 174 ? 0.2684 0.6145 0.2977 0.0420  0.0003  0.0502  350 CYS A O   
1187 C CB  . CYS A 174 ? 0.2694 0.6401 0.2856 0.0297  -0.0042 0.0484  350 CYS A CB  
1188 S SG  . CYS A 174 ? 0.2540 0.6441 0.2637 0.0258  -0.0062 0.0479  350 CYS A SG  
1189 N N   . CYS A 175 ? 0.2158 0.5746 0.2399 0.0338  -0.0025 0.0376  351 CYS A N   
1190 C CA  . CYS A 175 ? 0.2210 0.5669 0.2468 0.0333  -0.0005 0.0318  351 CYS A CA  
1191 C C   . CYS A 175 ? 0.2213 0.5653 0.2423 0.0266  -0.0012 0.0250  351 CYS A C   
1192 O O   . CYS A 175 ? 0.2169 0.5697 0.2349 0.0237  -0.0021 0.0229  351 CYS A O   
1193 C CB  . CYS A 175 ? 0.2293 0.5789 0.2594 0.0387  0.0008  0.0297  351 CYS A CB  
1194 S SG  . CYS A 175 ? 0.2139 0.5820 0.2428 0.0364  -0.0007 0.0256  351 CYS A SG  
1195 N N   . ILE A 176 ? 0.2168 0.5496 0.2374 0.0241  -0.0004 0.0219  352 ILE A N   
1196 C CA  . ILE A 176 ? 0.2312 0.5636 0.2475 0.0193  -0.0014 0.0172  352 ILE A CA  
1197 C C   . ILE A 176 ? 0.2140 0.5476 0.2279 0.0195  -0.0007 0.0118  352 ILE A C   
1198 O O   . ILE A 176 ? 0.2202 0.5503 0.2362 0.0220  0.0008  0.0092  352 ILE A O   
1199 C CB  . ILE A 176 ? 0.2503 0.5747 0.2677 0.0162  -0.0014 0.0156  352 ILE A CB  
1200 C CG1 . ILE A 176 ? 0.2537 0.5775 0.2733 0.0152  -0.0011 0.0213  352 ILE A CG1 
1201 C CG2 . ILE A 176 ? 0.2270 0.5541 0.2404 0.0130  -0.0030 0.0118  352 ILE A CG2 
1202 C CD1 . ILE A 176 ? 0.2835 0.5999 0.3067 0.0116  -0.0001 0.0200  352 ILE A CD1 
1203 N N   . ALA A 177 ? 0.1971 0.5349 0.2064 0.0169  -0.0011 0.0106  353 ALA A N   
1204 C CA  . ALA A 177 ? 0.1902 0.5294 0.1956 0.0163  0.0001  0.0072  353 ALA A CA  
1205 C C   . ALA A 177 ? 0.1942 0.5306 0.1947 0.0143  -0.0009 0.0061  353 ALA A C   
1206 O O   . ALA A 177 ? 0.1721 0.5064 0.1736 0.0134  -0.0027 0.0070  353 ALA A O   
1207 C CB  . ALA A 177 ? 0.1929 0.5389 0.1975 0.0149  0.0016  0.0079  353 ALA A CB  
1208 N N   . ASP A 178 ? 0.1971 0.5351 0.1924 0.0140  0.0005  0.0047  354 ASP A N   
1209 C CA  . ASP A 178 ? 0.2165 0.5541 0.2060 0.0133  0.0002  0.0064  354 ASP A CA  
1210 C C   . ASP A 178 ? 0.2239 0.5623 0.2119 0.0136  -0.0027 0.0045  354 ASP A C   
1211 O O   . ASP A 178 ? 0.2256 0.5646 0.2144 0.0136  -0.0047 0.0065  354 ASP A O   
1212 C CB  . ASP A 178 ? 0.2345 0.5703 0.2248 0.0123  0.0008  0.0099  354 ASP A CB  
1213 C CG  . ASP A 178 ? 0.2555 0.5888 0.2405 0.0130  0.0021  0.0131  354 ASP A CG  
1214 O OD1 . ASP A 178 ? 0.2390 0.5732 0.2183 0.0140  0.0028  0.0139  354 ASP A OD1 
1215 O OD2 . ASP A 178 ? 0.2617 0.5919 0.2478 0.0131  0.0028  0.0153  354 ASP A OD2 
1216 N N   . LEU A 179 ? 0.2426 0.5827 0.2287 0.0137  -0.0028 -0.0002 355 LEU A N   
1217 C CA  . LEU A 179 ? 0.2605 0.6036 0.2458 0.0125  -0.0056 -0.0043 355 LEU A CA  
1218 C C   . LEU A 179 ? 0.2481 0.5988 0.2250 0.0133  -0.0071 -0.0037 355 LEU A C   
1219 O O   . LEU A 179 ? 0.2267 0.5835 0.2016 0.0119  -0.0095 -0.0089 355 LEU A O   
1220 C CB  . LEU A 179 ? 0.2956 0.6357 0.2842 0.0115  -0.0044 -0.0115 355 LEU A CB  
1221 C CG  . LEU A 179 ? 0.3474 0.6798 0.3438 0.0126  -0.0023 -0.0105 355 LEU A CG  
1222 C CD1 . LEU A 179 ? 0.3998 0.7269 0.3996 0.0123  -0.0002 -0.0178 355 LEU A CD1 
1223 C CD2 . LEU A 179 ? 0.3492 0.6791 0.3507 0.0116  -0.0038 -0.0057 355 LEU A CD2 
1224 N N   . GLY A 180 ? 0.2450 0.5958 0.2170 0.0154  -0.0057 0.0029  356 GLY A N   
1225 C CA  . GLY A 180 ? 0.2472 0.6049 0.2100 0.0175  -0.0064 0.0060  356 GLY A CA  
1226 C C   . GLY A 180 ? 0.2532 0.6199 0.2156 0.0188  -0.0114 0.0066  356 GLY A C   
1227 O O   . GLY A 180 ? 0.2413 0.6183 0.1958 0.0202  -0.0134 0.0067  356 GLY A O   
1228 N N   . LEU A 181 ? 0.2422 0.6073 0.2128 0.0184  -0.0132 0.0073  357 LEU A N   
1229 C CA  . LEU A 181 ? 0.2369 0.6132 0.2101 0.0191  -0.0179 0.0070  357 LEU A CA  
1230 C C   . LEU A 181 ? 0.2247 0.6051 0.2045 0.0136  -0.0204 -0.0020 357 LEU A C   
1231 O O   . LEU A 181 ? 0.2375 0.6290 0.2213 0.0129  -0.0241 -0.0032 357 LEU A O   
1232 C CB  . LEU A 181 ? 0.2454 0.6194 0.2235 0.0226  -0.0176 0.0138  357 LEU A CB  
1233 C CG  . LEU A 181 ? 0.2627 0.6276 0.2366 0.0270  -0.0134 0.0220  357 LEU A CG  
1234 C CD1 . LEU A 181 ? 0.2888 0.6501 0.2691 0.0299  -0.0123 0.0261  357 LEU A CD1 
1235 C CD2 . LEU A 181 ? 0.2904 0.6616 0.2547 0.0317  -0.0139 0.0278  357 LEU A CD2 
1236 N N   . ALA A 182 ? 0.2091 0.5819 0.1903 0.0100  -0.0181 -0.0085 358 ALA A N   
1237 C CA  . ALA A 182 ? 0.2284 0.6011 0.2164 0.0043  -0.0188 -0.0171 358 ALA A CA  
1238 C C   . ALA A 182 ? 0.2516 0.6396 0.2380 0.0007  -0.0229 -0.0247 358 ALA A C   
1239 O O   . ALA A 182 ? 0.2786 0.6782 0.2559 0.0031  -0.0252 -0.0245 358 ALA A O   
1240 C CB  . ALA A 182 ? 0.2419 0.6021 0.2316 0.0027  -0.0146 -0.0221 358 ALA A CB  
1241 N N   . VAL A 183 ? 0.2489 0.6379 0.2440 -0.0054 -0.0236 -0.0312 359 VAL A N   
1242 C CA  . VAL A 183 ? 0.2651 0.6700 0.2609 -0.0111 -0.0274 -0.0407 359 VAL A CA  
1243 C C   . VAL A 183 ? 0.2663 0.6601 0.2677 -0.0187 -0.0237 -0.0520 359 VAL A C   
1244 O O   . VAL A 183 ? 0.2414 0.6191 0.2503 -0.0198 -0.0197 -0.0497 359 VAL A O   
1245 C CB  . VAL A 183 ? 0.2766 0.6951 0.2803 -0.0122 -0.0312 -0.0377 359 VAL A CB  
1246 C CG1 . VAL A 183 ? 0.3014 0.7319 0.3120 -0.0218 -0.0333 -0.0497 359 VAL A CG1 
1247 C CG2 . VAL A 183 ? 0.2843 0.7188 0.2813 -0.0044 -0.0356 -0.0293 359 VAL A CG2 
1248 N N   . MET A 184 ? 0.3045 0.7066 0.3021 -0.0237 -0.0246 -0.0640 360 MET A N   
1249 C CA  . MET A 184 ? 0.3457 0.7355 0.3489 -0.0313 -0.0200 -0.0767 360 MET A CA  
1250 C C   . MET A 184 ? 0.3643 0.7695 0.3724 -0.0414 -0.0230 -0.0888 360 MET A C   
1251 O O   . MET A 184 ? 0.3607 0.7906 0.3644 -0.0415 -0.0294 -0.0895 360 MET A O   
1252 C CB  . MET A 184 ? 0.3931 0.7768 0.3879 -0.0295 -0.0166 -0.0836 360 MET A CB  
1253 C CG  . MET A 184 ? 0.4310 0.8061 0.4198 -0.0199 -0.0143 -0.0726 360 MET A CG  
1254 S SD  . MET A 184 ? 0.5342 0.9052 0.5144 -0.0179 -0.0094 -0.0817 360 MET A SD  
1255 C CE  . MET A 184 ? 0.5318 0.9292 0.4994 -0.0216 -0.0145 -0.0912 360 MET A CE  
1256 N N   . HIS A 185 ? 0.3948 0.7858 0.4126 -0.0499 -0.0180 -0.0980 361 HIS A N   
1257 C CA  . HIS A 185 ? 0.4396 0.8427 0.4643 -0.0620 -0.0193 -0.1117 361 HIS A CA  
1258 C C   . HIS A 185 ? 0.4701 0.8498 0.5017 -0.0702 -0.0110 -0.1240 361 HIS A C   
1259 O O   . HIS A 185 ? 0.4750 0.8287 0.5111 -0.0666 -0.0045 -0.1174 361 HIS A O   
1260 C CB  . HIS A 185 ? 0.4579 0.8708 0.4929 -0.0648 -0.0220 -0.1047 361 HIS A CB  
1261 C CG  . HIS A 185 ? 0.4618 0.8862 0.5073 -0.0789 -0.0223 -0.1183 361 HIS A CG  
1262 N ND1 . HIS A 185 ? 0.4773 0.8827 0.5354 -0.0879 -0.0152 -0.1217 361 HIS A ND1 
1263 C CD2 . HIS A 185 ? 0.4807 0.9349 0.5264 -0.0859 -0.0285 -0.1291 361 HIS A CD2 
1264 C CE1 . HIS A 185 ? 0.4842 0.9059 0.5504 -0.1011 -0.0165 -0.1351 361 HIS A CE1 
1265 N NE2 . HIS A 185 ? 0.5006 0.9537 0.5597 -0.1001 -0.0250 -0.1403 361 HIS A NE2 
1266 N N   . SER A 186 ? 0.5249 0.9144 0.5570 -0.0809 -0.0110 -0.1420 362 SER A N   
1267 C CA  . SER A 186 ? 0.6147 0.9820 0.6545 -0.0905 -0.0023 -0.1565 362 SER A CA  
1268 C C   . SER A 186 ? 0.6831 1.0657 0.7323 -0.1061 -0.0038 -0.1702 362 SER A C   
1269 O O   . SER A 186 ? 0.6647 1.0801 0.7104 -0.1092 -0.0122 -0.1746 362 SER A O   
1270 C CB  . SER A 186 ? 0.6386 1.0007 0.6690 -0.0889 0.0010  -0.1691 362 SER A CB  
1271 O OG  . SER A 186 ? 0.6391 0.9780 0.6667 -0.0771 0.0062  -0.1585 362 SER A OG  
1272 N N   . GLN A 187 ? 0.7981 1.1570 0.8600 -0.1156 0.0048  -0.1764 363 GLN A N   
1273 C CA  . GLN A 187 ? 0.9275 1.2968 1.0020 -0.1313 0.0051  -0.1862 363 GLN A CA  
1274 C C   . GLN A 187 ? 0.9986 1.3772 1.0733 -0.1458 0.0065  -0.2121 363 GLN A C   
1275 O O   . GLN A 187 ? 1.0553 1.4584 1.1371 -0.1591 0.0028  -0.2234 363 GLN A O   
1276 C CB  . GLN A 187 ? 0.9940 1.3318 1.0818 -0.1349 0.0148  -0.1784 363 GLN A CB  
1277 C CG  . GLN A 187 ? 1.0594 1.4111 1.1603 -0.1461 0.0138  -0.1771 363 GLN A CG  
1278 C CD  . GLN A 187 ? 1.1305 1.4496 1.2426 -0.1488 0.0245  -0.1674 363 GLN A CD  
1279 O OE1 . GLN A 187 ? 1.2367 1.5221 1.3511 -0.1498 0.0345  -0.1707 363 GLN A OE1 
1280 N NE2 . GLN A 187 ? 1.0969 1.4260 1.2159 -0.1494 0.0228  -0.1548 363 GLN A NE2 
1281 N N   . SER A 188 ? 1.0362 1.3974 1.1037 -0.1435 0.0120  -0.2223 364 SER A N   
1282 C CA  . SER A 188 ? 1.0663 1.4380 1.1312 -0.1562 0.0133  -0.2485 364 SER A CA  
1283 C C   . SER A 188 ? 1.0730 1.4908 1.1254 -0.1557 0.0006  -0.2537 364 SER A C   
1284 O O   . SER A 188 ? 1.1061 1.5507 1.1612 -0.1699 -0.0033 -0.2714 364 SER A O   
1285 C CB  . SER A 188 ? 1.0709 1.4132 1.1302 -0.1515 0.0228  -0.2573 364 SER A CB  
1286 O OG  . SER A 188 ? 1.0152 1.3696 1.0583 -0.1371 0.0176  -0.2503 364 SER A OG  
1287 N N   . THR A 189 ? 0.9988 1.4261 1.0378 -0.1393 -0.0054 -0.2375 365 THR A N   
1288 C CA  . THR A 189 ? 0.9270 1.3956 0.9523 -0.1352 -0.0170 -0.2374 365 THR A CA  
1289 C C   . THR A 189 ? 0.9037 1.4007 0.9344 -0.1341 -0.0265 -0.2248 365 THR A C   
1290 O O   . THR A 189 ? 0.8937 1.4299 0.9191 -0.1368 -0.0359 -0.2300 365 THR A O   
1291 C CB  . THR A 189 ? 0.8919 1.3598 0.8999 -0.1187 -0.0187 -0.2255 365 THR A CB  
1292 O OG1 . THR A 189 ? 0.8028 1.2925 0.8053 -0.1077 -0.0279 -0.2057 365 THR A OG1 
1293 C CG2 . THR A 189 ? 0.8887 1.3157 0.8981 -0.1094 -0.0089 -0.2167 365 THR A CG2 
1294 N N   . ASN A 190 ? 0.9078 1.3866 0.9488 -0.1295 -0.0239 -0.2082 366 ASN A N   
1295 C CA  . ASN A 190 ? 0.8881 1.3900 0.9339 -0.1249 -0.0317 -0.1933 366 ASN A CA  
1296 C C   . ASN A 190 ? 0.9113 1.4438 0.9425 -0.1123 -0.0419 -0.1833 366 ASN A C   
1297 O O   . ASN A 190 ? 0.9452 1.5146 0.9772 -0.1138 -0.0508 -0.1840 366 ASN A O   
1298 C CB  . ASN A 190 ? 0.8706 1.3930 0.9316 -0.1410 -0.0334 -0.2053 366 ASN A CB  
1299 C CG  . ASN A 190 ? 0.8221 1.3581 0.8929 -0.1365 -0.0376 -0.1890 366 ASN A CG  
1300 O OD1 . ASN A 190 ? 0.7360 1.2487 0.8089 -0.1272 -0.0337 -0.1720 366 ASN A OD1 
1301 N ND2 . ASN A 190 ? 0.8067 1.3823 0.8838 -0.1429 -0.0455 -0.1948 366 ASN A ND2 
1302 N N   . GLN A 191 ? 0.9468 1.4638 0.9648 -0.1000 -0.0401 -0.1742 367 GLN A N   
1303 C CA  . GLN A 191 ? 0.8989 1.4354 0.9028 -0.0862 -0.0472 -0.1602 367 GLN A CA  
1304 C C   . GLN A 191 ? 0.8214 1.3353 0.8262 -0.0733 -0.0445 -0.1388 367 GLN A C   
1305 O O   . GLN A 191 ? 0.6640 1.1458 0.6745 -0.0732 -0.0368 -0.1363 367 GLN A O   
1306 C CB  . GLN A 191 ? 0.9280 1.4692 0.9148 -0.0837 -0.0470 -0.1680 367 GLN A CB  
1307 C CG  . GLN A 191 ? 0.9292 1.4375 0.9101 -0.0756 -0.0390 -0.1619 367 GLN A CG  
1308 C CD  . GLN A 191 ? 0.9643 1.4744 0.9320 -0.0772 -0.0361 -0.1755 367 GLN A CD  
1309 O OE1 . GLN A 191 ? 0.9527 1.4930 0.9102 -0.0806 -0.0418 -0.1848 367 GLN A OE1 
1310 N NE2 . GLN A 191 ? 0.9934 1.4730 0.9612 -0.0741 -0.0272 -0.1765 367 GLN A NE2 
1311 N N   . LEU A 192 ? 0.7795 1.3110 0.7779 -0.0622 -0.0509 -0.1238 368 LEU A N   
1312 C CA  . LEU A 192 ? 0.7406 1.2560 0.7408 -0.0511 -0.0492 -0.1047 368 LEU A CA  
1313 C C   . LEU A 192 ? 0.6996 1.2178 0.6841 -0.0390 -0.0509 -0.0935 368 LEU A C   
1314 O O   . LEU A 192 ? 0.6885 1.2336 0.6653 -0.0342 -0.0576 -0.0894 368 LEU A O   
1315 C CB  . LEU A 192 ? 0.7324 1.2655 0.7435 -0.0500 -0.0539 -0.0971 368 LEU A CB  
1316 C CG  . LEU A 192 ? 0.6922 1.2069 0.7097 -0.0425 -0.0506 -0.0814 368 LEU A CG  
1317 C CD1 . LEU A 192 ? 0.6883 1.1733 0.7148 -0.0493 -0.0426 -0.0850 368 LEU A CD1 
1318 C CD2 . LEU A 192 ? 0.6788 1.2170 0.7058 -0.0404 -0.0557 -0.0753 368 LEU A CD2 
1319 N N   . ASP A 193 ? 0.6522 1.1436 0.6326 -0.0342 -0.0446 -0.0883 369 ASP A N   
1320 C CA  . ASP A 193 ? 0.6385 1.1286 0.6055 -0.0238 -0.0444 -0.0771 369 ASP A CA  
1321 C C   . ASP A 193 ? 0.6156 1.0946 0.5865 -0.0149 -0.0436 -0.0597 369 ASP A C   
1322 O O   . ASP A 193 ? 0.5619 1.0180 0.5401 -0.0151 -0.0385 -0.0567 369 ASP A O   
1323 C CB  . ASP A 193 ? 0.6608 1.1317 0.6218 -0.0247 -0.0377 -0.0835 369 ASP A CB  
1324 C CG  . ASP A 193 ? 0.6792 1.1511 0.6260 -0.0157 -0.0367 -0.0737 369 ASP A CG  
1325 O OD1 . ASP A 193 ? 0.7091 1.2013 0.6463 -0.0107 -0.0416 -0.0664 369 ASP A OD1 
1326 O OD2 . ASP A 193 ? 0.7227 1.1752 0.6681 -0.0137 -0.0304 -0.0729 369 ASP A OD2 
1327 N N   . VAL A 194 ? 0.6117 1.1077 0.5773 -0.0070 -0.0483 -0.0485 370 VAL A N   
1328 C CA  . VAL A 194 ? 0.6149 1.1012 0.5820 0.0025  -0.0470 -0.0321 370 VAL A CA  
1329 C C   . VAL A 194 ? 0.6832 1.1648 0.6367 0.0113  -0.0449 -0.0210 370 VAL A C   
1330 O O   . VAL A 194 ? 0.6654 1.1375 0.6195 0.0186  -0.0429 -0.0082 370 VAL A O   
1331 C CB  . VAL A 194 ? 0.5497 1.0556 0.5240 0.0065  -0.0525 -0.0258 370 VAL A CB  
1332 C CG1 . VAL A 194 ? 0.4886 1.0010 0.4774 -0.0031 -0.0539 -0.0363 370 VAL A CG1 
1333 C CG2 . VAL A 194 ? 0.5568 1.0906 0.5212 0.0125  -0.0587 -0.0214 370 VAL A CG2 
1334 N N   . GLY A 195 ? 0.7775 1.2658 0.7188 0.0101  -0.0447 -0.0261 371 GLY A N   
1335 C CA  . GLY A 195 ? 0.8072 1.2917 0.7351 0.0171  -0.0418 -0.0158 371 GLY A CA  
1336 C C   . GLY A 195 ? 0.8512 1.3528 0.7719 0.0263  -0.0459 -0.0020 371 GLY A C   
1337 O O   . GLY A 195 ? 0.9056 1.4321 0.8265 0.0268  -0.0527 -0.0040 371 GLY A O   
1338 N N   . ASN A 196 ? 0.8221 1.3105 0.7367 0.0337  -0.0413 0.0120  372 ASN A N   
1339 C CA  . ASN A 196 ? 0.8909 1.3899 0.7981 0.0442  -0.0432 0.0278  372 ASN A CA  
1340 C C   . ASN A 196 ? 0.8597 1.3336 0.7695 0.0501  -0.0363 0.0412  372 ASN A C   
1341 O O   . ASN A 196 ? 0.7960 1.2647 0.6956 0.0563  -0.0323 0.0535  372 ASN A O   
1342 C CB  . ASN A 196 ? 0.9399 1.4558 0.8291 0.0461  -0.0442 0.0300  372 ASN A CB  
1343 C CG  . ASN A 196 ? 0.9739 1.5059 0.8543 0.0578  -0.0473 0.0470  372 ASN A CG  
1344 O OD1 . ASN A 196 ? 0.9758 1.5155 0.8647 0.0640  -0.0513 0.0535  372 ASN A OD1 
1345 N ND2 . ASN A 196 ? 1.0058 1.5438 0.8692 0.0614  -0.0450 0.0548  372 ASN A ND2 
1346 N N   . ASN A 197 ? 0.8019 1.2605 0.7254 0.0476  -0.0344 0.0382  373 ASN A N   
1347 C CA  . ASN A 197 ? 0.7659 1.1991 0.6929 0.0494  -0.0271 0.0453  373 ASN A CA  
1348 C C   . ASN A 197 ? 0.8051 1.2353 0.7370 0.0586  -0.0266 0.0573  373 ASN A C   
1349 O O   . ASN A 197 ? 0.8472 1.2859 0.7895 0.0595  -0.0306 0.0547  373 ASN A O   
1350 C CB  . ASN A 197 ? 0.6947 1.1135 0.6325 0.0414  -0.0249 0.0347  373 ASN A CB  
1351 C CG  . ASN A 197 ? 0.6022 0.9997 0.5388 0.0393  -0.0173 0.0367  373 ASN A CG  
1352 O OD1 . ASN A 197 ? 0.5258 0.9128 0.4590 0.0437  -0.0126 0.0468  373 ASN A OD1 
1353 N ND2 . ASN A 197 ? 0.5721 0.9634 0.5122 0.0324  -0.0159 0.0269  373 ASN A ND2 
1354 N N   . PRO A 198 ? 0.8670 1.2847 0.7922 0.0652  -0.0208 0.0704  374 PRO A N   
1355 C CA  . PRO A 198 ? 0.8752 1.2853 0.8061 0.0746  -0.0184 0.0815  374 PRO A CA  
1356 C C   . PRO A 198 ? 0.8909 1.2829 0.8346 0.0711  -0.0144 0.0763  374 PRO A C   
1357 O O   . PRO A 198 ? 0.9295 1.3210 0.8815 0.0774  -0.0143 0.0804  374 PRO A O   
1358 C CB  . PRO A 198 ? 0.8925 1.2888 0.8124 0.0801  -0.0113 0.0952  374 PRO A CB  
1359 C CG  . PRO A 198 ? 0.8728 1.2615 0.7859 0.0708  -0.0076 0.0888  374 PRO A CG  
1360 C CD  . PRO A 198 ? 0.8910 1.2995 0.8038 0.0643  -0.0150 0.0754  374 PRO A CD  
1361 N N   . ARG A 199 ? 0.8511 1.2303 0.7962 0.0616  -0.0112 0.0675  375 ARG A N   
1362 C CA  . ARG A 199 ? 0.7945 1.1612 0.7504 0.0571  -0.0086 0.0611  375 ARG A CA  
1363 C C   . ARG A 199 ? 0.6862 1.0675 0.6516 0.0548  -0.0149 0.0532  375 ARG A C   
1364 O O   . ARG A 199 ? 0.6570 1.0526 0.6212 0.0506  -0.0202 0.0465  375 ARG A O   
1365 C CB  . ARG A 199 ? 0.8036 1.1579 0.7580 0.0482  -0.0046 0.0542  375 ARG A CB  
1366 C CG  . ARG A 199 ? 0.8047 1.1483 0.7686 0.0432  -0.0021 0.0479  375 ARG A CG  
1367 C CD  . ARG A 199 ? 0.8155 1.1502 0.7775 0.0360  0.0017  0.0431  375 ARG A CD  
1368 N NE  . ARG A 199 ? 0.8446 1.1761 0.8146 0.0307  0.0017  0.0357  375 ARG A NE  
1369 C CZ  . ARG A 199 ? 0.8398 1.1711 0.8108 0.0251  0.0019  0.0297  375 ARG A CZ  
1370 N NH1 . ARG A 199 ? 0.7285 1.0625 0.6938 0.0235  0.0025  0.0285  375 ARG A NH1 
1371 N NH2 . ARG A 199 ? 0.7802 1.1097 0.7579 0.0218  0.0017  0.0251  375 ARG A NH2 
1372 N N   . VAL A 200 ? 0.6255 1.0029 0.6004 0.0574  -0.0134 0.0538  376 VAL A N   
1373 C CA  . VAL A 200 ? 0.5405 0.9281 0.5257 0.0538  -0.0172 0.0465  376 VAL A CA  
1374 C C   . VAL A 200 ? 0.5163 0.8868 0.5058 0.0483  -0.0120 0.0420  376 VAL A C   
1375 O O   . VAL A 200 ? 0.5373 0.8920 0.5225 0.0480  -0.0066 0.0444  376 VAL A O   
1376 C CB  . VAL A 200 ? 0.5109 0.9138 0.5032 0.0622  -0.0201 0.0514  376 VAL A CB  
1377 C CG1 . VAL A 200 ? 0.4898 0.8791 0.4863 0.0696  -0.0139 0.0578  376 VAL A CG1 
1378 C CG2 . VAL A 200 ? 0.5055 0.9250 0.5078 0.0570  -0.0249 0.0434  376 VAL A CG2 
1379 N N   . GLY A 201 ? 0.4620 0.8366 0.4596 0.0433  -0.0134 0.0356  377 GLY A N   
1380 C CA  . GLY A 201 ? 0.4131 0.7749 0.4134 0.0381  -0.0093 0.0316  377 GLY A CA  
1381 C C   . GLY A 201 ? 0.3873 0.7352 0.3877 0.0411  -0.0029 0.0345  377 GLY A C   
1382 O O   . GLY A 201 ? 0.4118 0.7555 0.4107 0.0481  -0.0003 0.0406  377 GLY A O   
1383 N N   . THR A 202 ? 0.3297 0.6701 0.3316 0.0356  0.0000  0.0299  378 THR A N   
1384 C CA  . THR A 202 ? 0.2893 0.6185 0.2922 0.0363  0.0061  0.0295  378 THR A CA  
1385 C C   . THR A 202 ? 0.2746 0.6117 0.2851 0.0400  0.0061  0.0292  378 THR A C   
1386 O O   . THR A 202 ? 0.2373 0.5858 0.2523 0.0372  0.0024  0.0267  378 THR A O   
1387 C CB  . THR A 202 ? 0.2675 0.5912 0.2690 0.0288  0.0082  0.0242  378 THR A CB  
1388 O OG1 . THR A 202 ? 0.2268 0.5464 0.2227 0.0261  0.0080  0.0247  378 THR A OG1 
1389 C CG2 . THR A 202 ? 0.2530 0.5674 0.2554 0.0279  0.0145  0.0213  378 THR A CG2 
1390 N N   . LYS A 203 ? 0.2801 0.6105 0.2925 0.0466  0.0108  0.0320  379 LYS A N   
1391 C CA  . LYS A 203 ? 0.2940 0.6329 0.3141 0.0531  0.0114  0.0332  379 LYS A CA  
1392 C C   . LYS A 203 ? 0.2838 0.6257 0.3086 0.0486  0.0138  0.0268  379 LYS A C   
1393 O O   . LYS A 203 ? 0.2575 0.6138 0.2889 0.0492  0.0114  0.0260  379 LYS A O   
1394 C CB  . LYS A 203 ? 0.3275 0.6555 0.3483 0.0627  0.0172  0.0386  379 LYS A CB  
1395 C CG  . LYS A 203 ? 0.3638 0.6946 0.3810 0.0701  0.0142  0.0478  379 LYS A CG  
1396 C CD  . LYS A 203 ? 0.4103 0.7245 0.4266 0.0793  0.0215  0.0547  379 LYS A CD  
1397 C CE  . LYS A 203 ? 0.4458 0.7647 0.4577 0.0882  0.0186  0.0662  379 LYS A CE  
1398 N NZ  . LYS A 203 ? 0.4732 0.7751 0.4750 0.0857  0.0225  0.0706  379 LYS A NZ  
1399 N N   . ARG A 204 ? 0.2745 0.6046 0.2957 0.0436  0.0186  0.0220  380 ARG A N   
1400 C CA  . ARG A 204 ? 0.2494 0.5839 0.2726 0.0386  0.0209  0.0158  380 ARG A CA  
1401 C C   . ARG A 204 ? 0.2401 0.5886 0.2652 0.0336  0.0153  0.0157  380 ARG A C   
1402 O O   . ARG A 204 ? 0.2374 0.5954 0.2673 0.0327  0.0164  0.0138  380 ARG A O   
1403 C CB  . ARG A 204 ? 0.2420 0.5658 0.2595 0.0322  0.0250  0.0103  380 ARG A CB  
1404 C CG  . ARG A 204 ? 0.2313 0.5615 0.2487 0.0270  0.0272  0.0039  380 ARG A CG  
1405 C CD  . ARG A 204 ? 0.2211 0.5447 0.2327 0.0202  0.0303  -0.0022 380 ARG A CD  
1406 N NE  . ARG A 204 ? 0.2324 0.5404 0.2437 0.0219  0.0371  -0.0054 380 ARG A NE  
1407 C CZ  . ARG A 204 ? 0.2434 0.5452 0.2569 0.0240  0.0443  -0.0110 380 ARG A CZ  
1408 N NH1 . ARG A 204 ? 0.2702 0.5826 0.2862 0.0249  0.0457  -0.0146 380 ARG A NH1 
1409 N NH2 . ARG A 204 ? 0.2540 0.5380 0.2674 0.0254  0.0512  -0.0130 380 ARG A NH2 
1410 N N   . TYR A 205 ? 0.2026 0.5524 0.2249 0.0308  0.0101  0.0178  381 TYR A N   
1411 C CA  . TYR A 205 ? 0.1984 0.5578 0.2231 0.0258  0.0059  0.0176  381 TYR A CA  
1412 C C   . TYR A 205 ? 0.2084 0.5799 0.2390 0.0278  0.0016  0.0194  381 TYR A C   
1413 O O   . TYR A 205 ? 0.2102 0.5874 0.2429 0.0227  -0.0014 0.0185  381 TYR A O   
1414 C CB  . TYR A 205 ? 0.2070 0.5606 0.2260 0.0209  0.0037  0.0171  381 TYR A CB  
1415 C CG  . TYR A 205 ? 0.2103 0.5585 0.2250 0.0174  0.0069  0.0146  381 TYR A CG  
1416 C CD1 . TYR A 205 ? 0.2102 0.5498 0.2213 0.0183  0.0106  0.0126  381 TYR A CD1 
1417 C CD2 . TYR A 205 ? 0.2021 0.5547 0.2165 0.0131  0.0062  0.0143  381 TYR A CD2 
1418 C CE1 . TYR A 205 ? 0.2256 0.5637 0.2333 0.0139  0.0131  0.0088  381 TYR A CE1 
1419 C CE2 . TYR A 205 ? 0.2153 0.5672 0.2254 0.0103  0.0082  0.0123  381 TYR A CE2 
1420 C CZ  . TYR A 205 ? 0.2134 0.5594 0.2204 0.0102  0.0112  0.0087  381 TYR A CZ  
1421 O OH  . TYR A 205 ? 0.2116 0.5601 0.2149 0.0063  0.0128  0.0052  381 TYR A OH  
1422 N N   . MET A 206 ? 0.2273 0.6036 0.2613 0.0350  0.0017  0.0219  382 MET A N   
1423 C CA  . MET A 206 ? 0.2423 0.6329 0.2808 0.0372  -0.0036 0.0237  382 MET A CA  
1424 C C   . MET A 206 ? 0.2219 0.6288 0.2706 0.0349  -0.0041 0.0216  382 MET A C   
1425 O O   . MET A 206 ? 0.2026 0.6122 0.2561 0.0381  0.0001  0.0214  382 MET A O   
1426 C CB  . MET A 206 ? 0.2751 0.6664 0.3130 0.0473  -0.0036 0.0289  382 MET A CB  
1427 C CG  . MET A 206 ? 0.3063 0.7014 0.3387 0.0492  -0.0086 0.0320  382 MET A CG  
1428 S SD  . MET A 206 ? 0.3344 0.7271 0.3648 0.0627  -0.0067 0.0411  382 MET A SD  
1429 C CE  . MET A 206 ? 0.3807 0.7574 0.3977 0.0601  -0.0062 0.0435  382 MET A CE  
1430 N N   . ALA A 207 ? 0.1985 0.6160 0.2508 0.0289  -0.0084 0.0194  383 ALA A N   
1431 C CA  . ALA A 207 ? 0.2019 0.6352 0.2648 0.0248  -0.0083 0.0171  383 ALA A CA  
1432 C C   . ALA A 207 ? 0.1746 0.6263 0.2468 0.0326  -0.0089 0.0188  383 ALA A C   
1433 O O   . ALA A 207 ? 0.1603 0.6147 0.2306 0.0411  -0.0112 0.0224  383 ALA A O   
1434 C CB  . ALA A 207 ? 0.2103 0.6495 0.2754 0.0160  -0.0123 0.0133  383 ALA A CB  
1435 N N   . PRO A 208 ? 0.1653 0.6302 0.2477 0.0307  -0.0060 0.0172  384 PRO A N   
1436 C CA  . PRO A 208 ? 0.1600 0.6457 0.2532 0.0387  -0.0067 0.0187  384 PRO A CA  
1437 C C   . PRO A 208 ? 0.1543 0.6579 0.2505 0.0417  -0.0143 0.0196  384 PRO A C   
1438 O O   . PRO A 208 ? 0.1479 0.6587 0.2455 0.0533  -0.0158 0.0244  384 PRO A O   
1439 C CB  . PRO A 208 ? 0.1584 0.6585 0.2623 0.0316  -0.0035 0.0153  384 PRO A CB  
1440 C CG  . PRO A 208 ? 0.1667 0.6482 0.2631 0.0240  0.0013  0.0143  384 PRO A CG  
1441 C CD  . PRO A 208 ? 0.1668 0.6274 0.2503 0.0229  -0.0010 0.0152  384 PRO A CD  
1442 N N   . GLU A 209 ? 0.1539 0.6643 0.2508 0.0313  -0.0186 0.0150  385 GLU A N   
1443 C CA  . GLU A 209 ? 0.1670 0.6987 0.2670 0.0315  -0.0261 0.0134  385 GLU A CA  
1444 C C   . GLU A 209 ? 0.1794 0.7040 0.2676 0.0399  -0.0299 0.0183  385 GLU A C   
1445 O O   . GLU A 209 ? 0.1870 0.7323 0.2773 0.0463  -0.0355 0.0207  385 GLU A O   
1446 C CB  . GLU A 209 ? 0.1703 0.7083 0.2736 0.0165  -0.0286 0.0051  385 GLU A CB  
1447 C CG  . GLU A 209 ? 0.1889 0.7017 0.2809 0.0090  -0.0275 0.0025  385 GLU A CG  
1448 C CD  . GLU A 209 ? 0.1918 0.6847 0.2828 0.0039  -0.0205 0.0033  385 GLU A CD  
1449 O OE1 . GLU A 209 ? 0.1643 0.6596 0.2601 0.0077  -0.0161 0.0064  385 GLU A OE1 
1450 O OE2 . GLU A 209 ? 0.1973 0.6740 0.2830 -0.0037 -0.0193 0.0007  385 GLU A OE2 
1451 N N   . VAL A 210 ? 0.1748 0.6722 0.2509 0.0397  -0.0267 0.0200  386 VAL A N   
1452 C CA  . VAL A 210 ? 0.1791 0.6662 0.2438 0.0474  -0.0281 0.0256  386 VAL A CA  
1453 C C   . VAL A 210 ? 0.1864 0.6741 0.2534 0.0615  -0.0253 0.0338  386 VAL A C   
1454 O O   . VAL A 210 ? 0.1920 0.6907 0.2571 0.0711  -0.0289 0.0401  386 VAL A O   
1455 C CB  . VAL A 210 ? 0.1942 0.6532 0.2473 0.0428  -0.0244 0.0248  386 VAL A CB  
1456 C CG1 . VAL A 210 ? 0.2023 0.6527 0.2443 0.0501  -0.0251 0.0308  386 VAL A CG1 
1457 C CG2 . VAL A 210 ? 0.1826 0.6387 0.2342 0.0304  -0.0260 0.0173  386 VAL A CG2 
1458 N N   . LEU A 211 ? 0.1712 0.6496 0.2431 0.0634  -0.0188 0.0337  387 LEU A N   
1459 C CA  . LEU A 211 ? 0.1818 0.6559 0.2565 0.0769  -0.0141 0.0403  387 LEU A CA  
1460 C C   . LEU A 211 ? 0.1865 0.6880 0.2730 0.0876  -0.0172 0.0446  387 LEU A C   
1461 O O   . LEU A 211 ? 0.1969 0.6967 0.2828 0.1013  -0.0159 0.0530  387 LEU A O   
1462 C CB  . LEU A 211 ? 0.1925 0.6532 0.2703 0.0749  -0.0060 0.0366  387 LEU A CB  
1463 C CG  . LEU A 211 ? 0.1919 0.6267 0.2590 0.0672  -0.0019 0.0334  387 LEU A CG  
1464 C CD1 . LEU A 211 ? 0.2047 0.6351 0.2758 0.0648  0.0047  0.0289  387 LEU A CD1 
1465 C CD2 . LEU A 211 ? 0.2156 0.6302 0.2732 0.0736  0.0007  0.0385  387 LEU A CD2 
1466 N N   . ASP A 212 ? 0.1753 0.7020 0.2730 0.0818  -0.0207 0.0394  388 ASP A N   
1467 C CA  . ASP A 212 ? 0.1808 0.7389 0.2916 0.0914  -0.0243 0.0428  388 ASP A CA  
1468 C C   . ASP A 212 ? 0.1947 0.7770 0.3041 0.0897  -0.0342 0.0431  388 ASP A C   
1469 O O   . ASP A 212 ? 0.1936 0.8081 0.3143 0.0946  -0.0391 0.0440  388 ASP A O   
1470 C CB  . ASP A 212 ? 0.1660 0.7416 0.2919 0.0861  -0.0216 0.0366  388 ASP A CB  
1471 C CG  . ASP A 212 ? 0.1570 0.7419 0.2851 0.0685  -0.0250 0.0276  388 ASP A CG  
1472 O OD1 . ASP A 212 ? 0.1442 0.7258 0.2639 0.0609  -0.0301 0.0251  388 ASP A OD1 
1473 O OD2 . ASP A 212 ? 0.1662 0.7614 0.3050 0.0619  -0.0216 0.0228  388 ASP A OD2 
1474 N N   . GLU A 213 ? 0.2094 0.7777 0.3054 0.0816  -0.0369 0.0408  389 GLU A N   
1475 C CA  . GLU A 213 ? 0.2326 0.8188 0.3230 0.0791  -0.0455 0.0399  389 GLU A CA  
1476 C C   . GLU A 213 ? 0.2189 0.8368 0.3209 0.0685  -0.0513 0.0303  389 GLU A C   
1477 O O   . GLU A 213 ? 0.1961 0.8424 0.2993 0.0706  -0.0590 0.0304  389 GLU A O   
1478 C CB  . GLU A 213 ? 0.2711 0.8676 0.3574 0.0960  -0.0486 0.0520  389 GLU A CB  
1479 C CG  . GLU A 213 ? 0.3109 0.8731 0.3855 0.1048  -0.0417 0.0611  389 GLU A CG  
1480 C CD  . GLU A 213 ? 0.3610 0.9305 0.4337 0.1232  -0.0425 0.0752  389 GLU A CD  
1481 O OE1 . GLU A 213 ? 0.4007 0.9484 0.4735 0.1340  -0.0347 0.0830  389 GLU A OE1 
1482 O OE2 . GLU A 213 ? 0.3812 0.9789 0.4525 0.1271  -0.0507 0.0786  389 GLU A OE2 
1483 N N   . THR A 214 ? 0.1873 0.8013 0.2978 0.0567  -0.0473 0.0223  390 THR A N   
1484 C CA  . THR A 214 ? 0.1749 0.8146 0.2968 0.0436  -0.0511 0.0121  390 THR A CA  
1485 C C   . THR A 214 ? 0.1778 0.8047 0.2927 0.0275  -0.0518 0.0025  390 THR A C   
1486 O O   . THR A 214 ? 0.1605 0.8061 0.2845 0.0150  -0.0543 -0.0072 390 THR A O   
1487 C CB  . THR A 214 ? 0.1680 0.8142 0.3051 0.0395  -0.0454 0.0094  390 THR A CB  
1488 O OG1 . THR A 214 ? 0.1507 0.7635 0.2818 0.0360  -0.0372 0.0100  390 THR A OG1 
1489 C CG2 . THR A 214 ? 0.1674 0.8367 0.3159 0.0552  -0.0457 0.0167  390 THR A CG2 
1490 N N   . ILE A 215 ? 0.1788 0.7738 0.2789 0.0276  -0.0489 0.0047  391 ILE A N   
1491 C CA  . ILE A 215 ? 0.1879 0.7676 0.2810 0.0146  -0.0486 -0.0036 391 ILE A CA  
1492 C C   . ILE A 215 ? 0.2098 0.8142 0.3028 0.0081  -0.0562 -0.0119 391 ILE A C   
1493 O O   . ILE A 215 ? 0.1916 0.8163 0.2802 0.0168  -0.0626 -0.0081 391 ILE A O   
1494 C CB  . ILE A 215 ? 0.2048 0.7503 0.2825 0.0181  -0.0447 0.0011  391 ILE A CB  
1495 C CG1 . ILE A 215 ? 0.2113 0.7416 0.2827 0.0062  -0.0440 -0.0073 391 ILE A CG1 
1496 C CG2 . ILE A 215 ? 0.2047 0.7501 0.2716 0.0313  -0.0473 0.0099  391 ILE A CG2 
1497 C CD1 . ILE A 215 ? 0.2205 0.7186 0.2828 0.0066  -0.0383 -0.0041 391 ILE A CD1 
1498 N N   . GLN A 216 ? 0.2384 0.8418 0.3363 -0.0075 -0.0552 -0.0234 392 GLN A N   
1499 C CA  . GLN A 216 ? 0.2743 0.8979 0.3720 -0.0167 -0.0611 -0.0346 392 GLN A CA  
1500 C C   . GLN A 216 ? 0.2944 0.8976 0.3756 -0.0167 -0.0612 -0.0362 392 GLN A C   
1501 O O   . GLN A 216 ? 0.2958 0.8750 0.3746 -0.0260 -0.0563 -0.0425 392 GLN A O   
1502 C CB  . GLN A 216 ? 0.3024 0.9280 0.4122 -0.0344 -0.0580 -0.0471 392 GLN A CB  
1503 C CG  . GLN A 216 ? 0.3188 0.9721 0.4469 -0.0382 -0.0584 -0.0488 392 GLN A CG  
1504 C CD  . GLN A 216 ? 0.3454 1.0054 0.4843 -0.0579 -0.0566 -0.0636 392 GLN A CD  
1505 O OE1 . GLN A 216 ? 0.3933 1.0691 0.5307 -0.0660 -0.0616 -0.0751 392 GLN A OE1 
1506 N NE2 . GLN A 216 ? 0.3231 0.9705 0.4722 -0.0663 -0.0488 -0.0638 392 GLN A NE2 
1507 N N   . VAL A 217 ? 0.3093 0.9230 0.3793 -0.0058 -0.0663 -0.0301 393 VAL A N   
1508 C CA  . VAL A 217 ? 0.3276 0.9236 0.3809 -0.0038 -0.0659 -0.0298 393 VAL A CA  
1509 C C   . VAL A 217 ? 0.3577 0.9574 0.4074 -0.0171 -0.0675 -0.0451 393 VAL A C   
1510 O O   . VAL A 217 ? 0.3611 0.9387 0.4004 -0.0191 -0.0642 -0.0479 393 VAL A O   
1511 C CB  . VAL A 217 ? 0.3172 0.9255 0.3590 0.0109  -0.0705 -0.0184 393 VAL A CB  
1512 C CG1 . VAL A 217 ? 0.3038 0.9038 0.3488 0.0245  -0.0675 -0.0037 393 VAL A CG1 
1513 C CG2 . VAL A 217 ? 0.3199 0.9693 0.3626 0.0111  -0.0797 -0.0225 393 VAL A CG2 
1514 N N   . ASP A 218 ? 0.3930 1.0219 0.4522 -0.0261 -0.0722 -0.0559 394 ASP A N   
1515 C CA  . ASP A 218 ? 0.4301 1.0646 0.4880 -0.0406 -0.0732 -0.0733 394 ASP A CA  
1516 C C   . ASP A 218 ? 0.4017 1.0063 0.4666 -0.0537 -0.0648 -0.0823 394 ASP A C   
1517 O O   . ASP A 218 ? 0.3968 0.9981 0.4601 -0.0653 -0.0635 -0.0969 394 ASP A O   
1518 C CB  . ASP A 218 ? 0.4802 1.1572 0.5488 -0.0487 -0.0804 -0.0838 394 ASP A CB  
1519 C CG  . ASP A 218 ? 0.5196 1.2322 0.5850 -0.0351 -0.0892 -0.0738 394 ASP A CG  
1520 O OD1 . ASP A 218 ? 0.5915 1.2989 0.6417 -0.0220 -0.0909 -0.0627 394 ASP A OD1 
1521 O OD2 . ASP A 218 ? 0.6429 1.3896 0.7215 -0.0374 -0.0943 -0.0766 394 ASP A OD2 
1522 N N   . CYS A 219 ? 0.3688 0.9531 0.4416 -0.0520 -0.0588 -0.0740 395 CYS A N   
1523 C CA  A CYS A 219 ? 0.3698 0.9292 0.4508 -0.0639 -0.0508 -0.0803 395 CYS A CA  
1524 C CA  B CYS A 219 ? 0.3495 0.9083 0.4303 -0.0637 -0.0507 -0.0801 395 CYS A CA  
1525 C C   . CYS A 219 ? 0.3296 0.8511 0.4021 -0.0575 -0.0442 -0.0715 395 CYS A C   
1526 O O   . CYS A 219 ? 0.3093 0.8232 0.3792 -0.0466 -0.0432 -0.0583 395 CYS A O   
1527 C CB  A CYS A 219 ? 0.3768 0.9482 0.4746 -0.0690 -0.0491 -0.0787 395 CYS A CB  
1528 C CB  B CYS A 219 ? 0.3396 0.9088 0.4368 -0.0686 -0.0487 -0.0782 395 CYS A CB  
1529 S SG  A CYS A 219 ? 0.4366 0.9782 0.5449 -0.0831 -0.0383 -0.0832 395 CYS A SG  
1530 S SG  B CYS A 219 ? 0.3373 0.9539 0.4474 -0.0777 -0.0562 -0.0899 395 CYS A SG  
1531 N N   . PHE A 220 ? 0.3261 0.8252 0.3952 -0.0644 -0.0394 -0.0796 396 PHE A N   
1532 C CA  . PHE A 220 ? 0.3237 0.7910 0.3851 -0.0581 -0.0338 -0.0722 396 PHE A CA  
1533 C C   . PHE A 220 ? 0.3356 0.7866 0.4043 -0.0566 -0.0283 -0.0619 396 PHE A C   
1534 O O   . PHE A 220 ? 0.3476 0.7864 0.4101 -0.0466 -0.0271 -0.0507 396 PHE A O   
1535 C CB  . PHE A 220 ? 0.3385 0.7867 0.3970 -0.0652 -0.0293 -0.0834 396 PHE A CB  
1536 C CG  . PHE A 220 ? 0.3508 0.7691 0.4031 -0.0582 -0.0236 -0.0758 396 PHE A CG  
1537 C CD1 . PHE A 220 ? 0.3431 0.7592 0.3832 -0.0474 -0.0256 -0.0690 396 PHE A CD1 
1538 C CD2 . PHE A 220 ? 0.3668 0.7606 0.4262 -0.0623 -0.0161 -0.0741 396 PHE A CD2 
1539 C CE1 . PHE A 220 ? 0.3597 0.7520 0.3958 -0.0415 -0.0207 -0.0624 396 PHE A CE1 
1540 C CE2 . PHE A 220 ? 0.3877 0.7580 0.4421 -0.0549 -0.0117 -0.0664 396 PHE A CE2 
1541 C CZ  . PHE A 220 ? 0.3622 0.7329 0.4055 -0.0448 -0.0142 -0.0611 396 PHE A CZ  
1542 N N   . ASP A 221 ? 0.3293 0.7825 0.4107 -0.0669 -0.0251 -0.0659 397 ASP A N   
1543 C CA  . ASP A 221 ? 0.3351 0.7774 0.4229 -0.0661 -0.0199 -0.0562 397 ASP A CA  
1544 C C   . ASP A 221 ? 0.2969 0.7498 0.3820 -0.0542 -0.0229 -0.0444 397 ASP A C   
1545 O O   . ASP A 221 ? 0.3171 0.7556 0.4013 -0.0498 -0.0186 -0.0352 397 ASP A O   
1546 C CB  . ASP A 221 ? 0.3590 0.8100 0.4616 -0.0791 -0.0166 -0.0621 397 ASP A CB  
1547 C CG  . ASP A 221 ? 0.3837 0.8170 0.4905 -0.0919 -0.0108 -0.0729 397 ASP A CG  
1548 O OD1 . ASP A 221 ? 0.3953 0.8004 0.4965 -0.0897 -0.0058 -0.0705 397 ASP A OD1 
1549 O OD2 . ASP A 221 ? 0.4091 0.8574 0.5263 -0.1046 -0.0109 -0.0842 397 ASP A OD2 
1550 N N   . SER A 222 ? 0.2658 0.7432 0.3493 -0.0484 -0.0297 -0.0445 398 SER A N   
1551 C CA  . SER A 222 ? 0.2441 0.7279 0.3247 -0.0357 -0.0315 -0.0333 398 SER A CA  
1552 C C   . SER A 222 ? 0.2307 0.6910 0.2993 -0.0267 -0.0291 -0.0252 398 SER A C   
1553 O O   . SER A 222 ? 0.1989 0.6525 0.2670 -0.0202 -0.0263 -0.0167 398 SER A O   
1554 C CB  . SER A 222 ? 0.2445 0.7563 0.3242 -0.0291 -0.0390 -0.0331 398 SER A CB  
1555 O OG  . SER A 222 ? 0.2549 0.7940 0.3477 -0.0360 -0.0417 -0.0392 398 SER A OG  
1556 N N   . TYR A 223 ? 0.2386 0.6877 0.2982 -0.0271 -0.0296 -0.0289 399 TYR A N   
1557 C CA  . TYR A 223 ? 0.2326 0.6638 0.2814 -0.0190 -0.0278 -0.0222 399 TYR A CA  
1558 C C   . TYR A 223 ? 0.2390 0.6480 0.2892 -0.0213 -0.0217 -0.0191 399 TYR A C   
1559 O O   . TYR A 223 ? 0.2198 0.6192 0.2655 -0.0149 -0.0197 -0.0115 399 TYR A O   
1560 C CB  . TYR A 223 ? 0.2470 0.6781 0.2858 -0.0180 -0.0305 -0.0270 399 TYR A CB  
1561 C CG  . TYR A 223 ? 0.2368 0.6926 0.2725 -0.0137 -0.0369 -0.0271 399 TYR A CG  
1562 C CD1 . TYR A 223 ? 0.2360 0.6966 0.2668 -0.0027 -0.0386 -0.0167 399 TYR A CD1 
1563 C CD2 . TYR A 223 ? 0.2432 0.7180 0.2812 -0.0204 -0.0411 -0.0371 399 TYR A CD2 
1564 C CE1 . TYR A 223 ? 0.2223 0.7059 0.2504 0.0029  -0.0443 -0.0146 399 TYR A CE1 
1565 C CE2 . TYR A 223 ? 0.2356 0.7364 0.2702 -0.0156 -0.0477 -0.0360 399 TYR A CE2 
1566 C CZ  . TYR A 223 ? 0.2244 0.7292 0.2540 -0.0032 -0.0492 -0.0237 399 TYR A CZ  
1567 O OH  . TYR A 223 ? 0.2589 0.7898 0.2854 0.0030  -0.0556 -0.0208 399 TYR A OH  
1568 N N   . LYS A 224 ? 0.2419 0.6440 0.2988 -0.0305 -0.0185 -0.0246 400 LYS A N   
1569 C CA  . LYS A 224 ? 0.2524 0.6351 0.3111 -0.0320 -0.0125 -0.0199 400 LYS A CA  
1570 C C   . LYS A 224 ? 0.2328 0.6201 0.2952 -0.0298 -0.0107 -0.0121 400 LYS A C   
1571 O O   . LYS A 224 ? 0.2239 0.6014 0.2820 -0.0248 -0.0082 -0.0049 400 LYS A O   
1572 C CB  . LYS A 224 ? 0.2631 0.6373 0.3294 -0.0426 -0.0084 -0.0266 400 LYS A CB  
1573 C CG  . LYS A 224 ? 0.2790 0.6464 0.3417 -0.0453 -0.0089 -0.0362 400 LYS A CG  
1574 C CD  . LYS A 224 ? 0.3048 0.6539 0.3741 -0.0538 -0.0023 -0.0410 400 LYS A CD  
1575 C CE  . LYS A 224 ? 0.3233 0.6829 0.4040 -0.0658 -0.0011 -0.0477 400 LYS A CE  
1576 N NZ  . LYS A 224 ? 0.3567 0.6953 0.4439 -0.0749 0.0065  -0.0534 400 LYS A NZ  
1577 N N   . ARG A 225 ? 0.2394 0.6446 0.3102 -0.0335 -0.0121 -0.0144 401 ARG A N   
1578 C CA  . ARG A 225 ? 0.2224 0.6352 0.2978 -0.0316 -0.0100 -0.0086 401 ARG A CA  
1579 C C   . ARG A 225 ? 0.2164 0.6295 0.2845 -0.0206 -0.0113 -0.0022 401 ARG A C   
1580 O O   . ARG A 225 ? 0.1811 0.5900 0.2489 -0.0185 -0.0076 0.0033  401 ARG A O   
1581 C CB  . ARG A 225 ? 0.2338 0.6694 0.3208 -0.0372 -0.0116 -0.0133 401 ARG A CB  
1582 C CG  . ARG A 225 ? 0.2540 0.6862 0.3502 -0.0503 -0.0076 -0.0188 401 ARG A CG  
1583 C CD  . ARG A 225 ? 0.2722 0.7303 0.3801 -0.0576 -0.0105 -0.0266 401 ARG A CD  
1584 N NE  . ARG A 225 ? 0.3072 0.7606 0.4238 -0.0720 -0.0063 -0.0342 401 ARG A NE  
1585 C CZ  . ARG A 225 ? 0.3244 0.7981 0.4510 -0.0818 -0.0088 -0.0447 401 ARG A CZ  
1586 N NH1 . ARG A 225 ? 0.3145 0.8172 0.4435 -0.0773 -0.0163 -0.0477 401 ARG A NH1 
1587 N NH2 . ARG A 225 ? 0.3553 0.8208 0.4901 -0.0961 -0.0035 -0.0522 401 ARG A NH2 
1588 N N   . VAL A 226 ? 0.2200 0.6363 0.2816 -0.0141 -0.0157 -0.0027 402 VAL A N   
1589 C CA  . VAL A 226 ? 0.2324 0.6445 0.2871 -0.0045 -0.0153 0.0034  402 VAL A CA  
1590 C C   . VAL A 226 ? 0.2398 0.6326 0.2872 -0.0037 -0.0118 0.0066  402 VAL A C   
1591 O O   . VAL A 226 ? 0.2070 0.5958 0.2515 0.0006  -0.0093 0.0108  402 VAL A O   
1592 C CB  . VAL A 226 ? 0.2425 0.6616 0.2917 0.0033  -0.0195 0.0046  402 VAL A CB  
1593 C CG1 . VAL A 226 ? 0.2458 0.6863 0.3006 0.0021  -0.0244 0.0007  402 VAL A CG1 
1594 C CG2 . VAL A 226 ? 0.2651 0.6707 0.3037 0.0051  -0.0199 0.0047  402 VAL A CG2 
1595 N N   . ASP A 227 ? 0.2552 0.6375 0.3002 -0.0078 -0.0116 0.0040  403 ASP A N   
1596 C CA  . ASP A 227 ? 0.2514 0.6184 0.2910 -0.0066 -0.0087 0.0072  403 ASP A CA  
1597 C C   . ASP A 227 ? 0.2482 0.6131 0.2907 -0.0084 -0.0047 0.0119  403 ASP A C   
1598 O O   . ASP A 227 ? 0.2575 0.6187 0.2952 -0.0048 -0.0031 0.0158  403 ASP A O   
1599 C CB  . ASP A 227 ? 0.2584 0.6151 0.2973 -0.0100 -0.0083 0.0035  403 ASP A CB  
1600 C CG  . ASP A 227 ? 0.2399 0.5967 0.2726 -0.0073 -0.0112 -0.0004 403 ASP A CG  
1601 O OD1 . ASP A 227 ? 0.2439 0.6052 0.2713 -0.0020 -0.0130 0.0017  403 ASP A OD1 
1602 O OD2 . ASP A 227 ? 0.2211 0.5720 0.2540 -0.0104 -0.0107 -0.0056 403 ASP A OD2 
1603 N N   . ILE A 228 ? 0.2632 0.6322 0.3134 -0.0145 -0.0029 0.0110  404 ILE A N   
1604 C CA  . ILE A 228 ? 0.2398 0.6081 0.2926 -0.0170 0.0017  0.0162  404 ILE A CA  
1605 C C   . ILE A 228 ? 0.2148 0.5923 0.2658 -0.0124 0.0025  0.0188  404 ILE A C   
1606 O O   . ILE A 228 ? 0.2027 0.5772 0.2493 -0.0110 0.0054  0.0233  404 ILE A O   
1607 C CB  . ILE A 228 ? 0.2717 0.6442 0.3344 -0.0256 0.0042  0.0142  404 ILE A CB  
1608 C CG1 . ILE A 228 ? 0.2954 0.6555 0.3602 -0.0309 0.0048  0.0103  404 ILE A CG1 
1609 C CG2 . ILE A 228 ? 0.2660 0.6400 0.3310 -0.0283 0.0096  0.0205  404 ILE A CG2 
1610 C CD1 . ILE A 228 ? 0.3012 0.6445 0.3587 -0.0264 0.0054  0.0132  404 ILE A CD1 
1611 N N   . TRP A 229 ? 0.1855 0.5748 0.2399 -0.0098 0.0003  0.0158  405 TRP A N   
1612 C CA  . TRP A 229 ? 0.1713 0.5669 0.2245 -0.0042 0.0019  0.0173  405 TRP A CA  
1613 C C   . TRP A 229 ? 0.1766 0.5614 0.2201 -0.0001 0.0025  0.0190  405 TRP A C   
1614 O O   . TRP A 229 ? 0.1749 0.5597 0.2152 0.0003  0.0059  0.0208  405 TRP A O   
1615 C CB  . TRP A 229 ? 0.1547 0.5618 0.2121 0.0008  -0.0009 0.0150  405 TRP A CB  
1616 C CG  . TRP A 229 ? 0.1470 0.5560 0.2026 0.0083  0.0014  0.0161  405 TRP A CG  
1617 C CD1 . TRP A 229 ? 0.1459 0.5457 0.1945 0.0144  0.0012  0.0166  405 TRP A CD1 
1618 C CD2 . TRP A 229 ? 0.1453 0.5654 0.2073 0.0103  0.0051  0.0160  405 TRP A CD2 
1619 N NE1 . TRP A 229 ? 0.1414 0.5435 0.1914 0.0199  0.0050  0.0166  405 TRP A NE1 
1620 C CE2 . TRP A 229 ? 0.1495 0.5649 0.2078 0.0181  0.0073  0.0160  405 TRP A CE2 
1621 C CE3 . TRP A 229 ? 0.1437 0.5771 0.2144 0.0059  0.0077  0.0156  405 TRP A CE3 
1622 C CZ2 . TRP A 229 ? 0.1529 0.5760 0.2160 0.0225  0.0119  0.0150  405 TRP A CZ2 
1623 C CZ3 . TRP A 229 ? 0.1503 0.5935 0.2257 0.0101  0.0119  0.0151  405 TRP A CZ3 
1624 C CH2 . TRP A 229 ? 0.1529 0.5908 0.2245 0.0188  0.0140  0.0145  405 TRP A CH2 
1625 N N   . ALA A 230 ? 0.1744 0.5523 0.2134 0.0023  -0.0006 0.0177  406 ALA A N   
1626 C CA  . ALA A 230 ? 0.1756 0.5447 0.2065 0.0054  -0.0003 0.0183  406 ALA A CA  
1627 C C   . ALA A 230 ? 0.1661 0.5301 0.1934 0.0030  0.0015  0.0209  406 ALA A C   
1628 O O   . ALA A 230 ? 0.1597 0.5234 0.1825 0.0043  0.0033  0.0212  406 ALA A O   
1629 C CB  . ALA A 230 ? 0.1695 0.5336 0.1970 0.0073  -0.0036 0.0168  406 ALA A CB  
1630 N N   . PHE A 231 ? 0.1824 0.5431 0.2121 -0.0005 0.0014  0.0226  407 PHE A N   
1631 C CA  . PHE A 231 ? 0.2183 0.5749 0.2457 -0.0017 0.0033  0.0272  407 PHE A CA  
1632 C C   . PHE A 231 ? 0.2187 0.5826 0.2448 -0.0026 0.0066  0.0306  407 PHE A C   
1633 O O   . PHE A 231 ? 0.1980 0.5632 0.2184 -0.0012 0.0074  0.0334  407 PHE A O   
1634 C CB  . PHE A 231 ? 0.2612 0.6110 0.2935 -0.0054 0.0039  0.0284  407 PHE A CB  
1635 C CG  . PHE A 231 ? 0.3099 0.6543 0.3407 -0.0056 0.0067  0.0355  407 PHE A CG  
1636 C CD1 . PHE A 231 ? 0.3312 0.6707 0.3576 -0.0014 0.0058  0.0382  407 PHE A CD1 
1637 C CD2 . PHE A 231 ? 0.3711 0.7172 0.4052 -0.0094 0.0106  0.0402  407 PHE A CD2 
1638 C CE1 . PHE A 231 ? 0.3526 0.6888 0.3777 0.0002  0.0082  0.0463  407 PHE A CE1 
1639 C CE2 . PHE A 231 ? 0.4033 0.7443 0.4350 -0.0086 0.0136  0.0488  407 PHE A CE2 
1640 C CZ  . PHE A 231 ? 0.4158 0.7519 0.4430 -0.0032 0.0121  0.0522  407 PHE A CZ  
1641 N N   . GLY A 232 ? 0.2068 0.5779 0.2384 -0.0050 0.0085  0.0298  408 GLY A N   
1642 C CA  . GLY A 232 ? 0.1985 0.5780 0.2290 -0.0061 0.0124  0.0322  408 GLY A CA  
1643 C C   . GLY A 232 ? 0.1936 0.5772 0.2182 -0.0024 0.0130  0.0288  408 GLY A C   
1644 O O   . GLY A 232 ? 0.2092 0.5982 0.2285 -0.0029 0.0155  0.0306  408 GLY A O   
1645 N N   . LEU A 233 ? 0.1777 0.5586 0.2028 0.0009  0.0110  0.0239  409 LEU A N   
1646 C CA  . LEU A 233 ? 0.1884 0.5694 0.2085 0.0036  0.0126  0.0199  409 LEU A CA  
1647 C C   . LEU A 233 ? 0.2194 0.5973 0.2321 0.0028  0.0114  0.0206  409 LEU A C   
1648 O O   . LEU A 233 ? 0.2031 0.5858 0.2107 0.0022  0.0135  0.0179  409 LEU A O   
1649 C CB  . LEU A 233 ? 0.1877 0.5640 0.2101 0.0076  0.0116  0.0163  409 LEU A CB  
1650 C CG  . LEU A 233 ? 0.1879 0.5701 0.2182 0.0105  0.0120  0.0157  409 LEU A CG  
1651 C CD1 . LEU A 233 ? 0.1897 0.5661 0.2198 0.0161  0.0116  0.0140  409 LEU A CD1 
1652 C CD2 . LEU A 233 ? 0.1981 0.5900 0.2315 0.0105  0.0168  0.0144  409 LEU A CD2 
1653 N N   . VAL A 234 ? 0.2312 0.6029 0.2438 0.0028  0.0081  0.0232  410 VAL A N   
1654 C CA  . VAL A 234 ? 0.2547 0.6264 0.2620 0.0029  0.0067  0.0246  410 VAL A CA  
1655 C C   . VAL A 234 ? 0.2678 0.6476 0.2717 0.0017  0.0080  0.0299  410 VAL A C   
1656 O O   . VAL A 234 ? 0.3009 0.6882 0.2991 0.0015  0.0079  0.0292  410 VAL A O   
1657 C CB  . VAL A 234 ? 0.2419 0.6060 0.2507 0.0041  0.0037  0.0264  410 VAL A CB  
1658 C CG1 . VAL A 234 ? 0.2461 0.6137 0.2510 0.0051  0.0024  0.0284  410 VAL A CG1 
1659 C CG2 . VAL A 234 ? 0.2273 0.5854 0.2370 0.0054  0.0025  0.0217  410 VAL A CG2 
1660 N N   . LEU A 235 ? 0.2636 0.6425 0.2710 0.0005  0.0093  0.0356  411 LEU A N   
1661 C CA  . LEU A 235 ? 0.2831 0.6689 0.2869 -0.0003 0.0115  0.0428  411 LEU A CA  
1662 C C   . LEU A 235 ? 0.2611 0.6598 0.2583 -0.0012 0.0136  0.0395  411 LEU A C   
1663 O O   . LEU A 235 ? 0.2480 0.6558 0.2385 -0.0007 0.0133  0.0431  411 LEU A O   
1664 C CB  . LEU A 235 ? 0.3228 0.7061 0.3322 -0.0033 0.0146  0.0474  411 LEU A CB  
1665 C CG  . LEU A 235 ? 0.3715 0.7483 0.3819 -0.0037 0.0161  0.0574  411 LEU A CG  
1666 C CD1 . LEU A 235 ? 0.3984 0.7639 0.4107 -0.0006 0.0130  0.0579  411 LEU A CD1 
1667 C CD2 . LEU A 235 ? 0.3756 0.7487 0.3938 -0.0086 0.0198  0.0590  411 LEU A CD2 
1668 N N   . TRP A 236 ? 0.2458 0.6461 0.2454 -0.0020 0.0158  0.0323  412 TRP A N   
1669 C CA  . TRP A 236 ? 0.2491 0.6596 0.2438 -0.0030 0.0192  0.0264  412 TRP A CA  
1670 C C   . TRP A 236 ? 0.2568 0.6704 0.2452 -0.0033 0.0178  0.0200  412 TRP A C   
1671 O O   . TRP A 236 ? 0.2433 0.6693 0.2243 -0.0051 0.0192  0.0179  412 TRP A O   
1672 C CB  . TRP A 236 ? 0.2275 0.6360 0.2286 -0.0022 0.0222  0.0203  412 TRP A CB  
1673 C CG  . TRP A 236 ? 0.2110 0.6275 0.2090 -0.0024 0.0271  0.0128  412 TRP A CG  
1674 C CD1 . TRP A 236 ? 0.2069 0.6354 0.2031 -0.0040 0.0318  0.0132  412 TRP A CD1 
1675 C CD2 . TRP A 236 ? 0.2013 0.6135 0.1978 -0.0014 0.0289  0.0030  412 TRP A CD2 
1676 N NE1 . TRP A 236 ? 0.2026 0.6349 0.1962 -0.0035 0.0363  0.0033  412 TRP A NE1 
1677 C CE2 . TRP A 236 ? 0.2077 0.6291 0.2016 -0.0021 0.0348  -0.0031 412 TRP A CE2 
1678 C CE3 . TRP A 236 ? 0.1984 0.5994 0.1953 -0.0004 0.0271  -0.0012 412 TRP A CE3 
1679 C CZ2 . TRP A 236 ? 0.2115 0.6292 0.2039 -0.0018 0.0391  -0.0143 412 TRP A CZ2 
1680 C CZ3 . TRP A 236 ? 0.1943 0.5911 0.1897 -0.0004 0.0315  -0.0112 412 TRP A CZ3 
1681 C CH2 . TRP A 236 ? 0.2131 0.6172 0.2067 -0.0010 0.0375  -0.0179 412 TRP A CH2 
1682 N N   . GLU A 237 ? 0.2681 0.6719 0.2590 -0.0022 0.0152  0.0167  413 GLU A N   
1683 C CA  . GLU A 237 ? 0.2542 0.6602 0.2409 -0.0037 0.0143  0.0100  413 GLU A CA  
1684 C C   . GLU A 237 ? 0.2404 0.6593 0.2213 -0.0045 0.0115  0.0142  413 GLU A C   
1685 O O   . GLU A 237 ? 0.2426 0.6732 0.2178 -0.0074 0.0120  0.0083  413 GLU A O   
1686 C CB  . GLU A 237 ? 0.2712 0.6650 0.2620 -0.0025 0.0120  0.0088  413 GLU A CB  
1687 C CG  . GLU A 237 ? 0.2837 0.6658 0.2792 -0.0007 0.0143  0.0052  413 GLU A CG  
1688 C CD  . GLU A 237 ? 0.2823 0.6540 0.2799 0.0004  0.0123  0.0049  413 GLU A CD  
1689 O OE1 . GLU A 237 ? 0.2504 0.6213 0.2456 -0.0021 0.0130  0.0001  413 GLU A OE1 
1690 O OE2 . GLU A 237 ? 0.2940 0.6597 0.2955 0.0030  0.0102  0.0091  413 GLU A OE2 
1691 N N   . VAL A 238 ? 0.2367 0.6534 0.2196 -0.0016 0.0087  0.0243  414 VAL A N   
1692 C CA  . VAL A 238 ? 0.2520 0.6795 0.2310 0.0003  0.0058  0.0320  414 VAL A CA  
1693 C C   . VAL A 238 ? 0.2669 0.7097 0.2385 -0.0005 0.0076  0.0364  414 VAL A C   
1694 O O   . VAL A 238 ? 0.3075 0.7672 0.2724 -0.0008 0.0058  0.0365  414 VAL A O   
1695 C CB  . VAL A 238 ? 0.2563 0.6732 0.2404 0.0044  0.0042  0.0424  414 VAL A CB  
1696 C CG1 . VAL A 238 ? 0.2603 0.6881 0.2408 0.0084  0.0017  0.0518  414 VAL A CG1 
1697 C CG2 . VAL A 238 ? 0.2638 0.6674 0.2541 0.0055  0.0024  0.0387  414 VAL A CG2 
1698 N N   . ALA A 239 ? 0.2568 0.6954 0.2297 -0.0009 0.0112  0.0408  415 ALA A N   
1699 C CA  . ALA A 239 ? 0.2614 0.7142 0.2270 -0.0019 0.0141  0.0459  415 ALA A CA  
1700 C C   . ALA A 239 ? 0.2485 0.7178 0.2059 -0.0053 0.0153  0.0354  415 ALA A C   
1701 O O   . ALA A 239 ? 0.2699 0.7574 0.2183 -0.0052 0.0144  0.0394  415 ALA A O   
1702 C CB  . ALA A 239 ? 0.2593 0.7052 0.2294 -0.0034 0.0188  0.0492  415 ALA A CB  
1703 N N   . ARG A 240 ? 0.2216 0.6849 0.1821 -0.0079 0.0172  0.0223  416 ARG A N   
1704 C CA  . ARG A 240 ? 0.2355 0.7113 0.1893 -0.0119 0.0197  0.0100  416 ARG A CA  
1705 C C   . ARG A 240 ? 0.2466 0.7397 0.1931 -0.0139 0.0156  0.0074  416 ARG A C   
1706 O O   . ARG A 240 ? 0.2421 0.7524 0.1804 -0.0178 0.0172  -0.0008 416 ARG A O   
1707 C CB  . ARG A 240 ? 0.2388 0.7005 0.1985 -0.0135 0.0229  -0.0026 416 ARG A CB  
1708 C CG  . ARG A 240 ? 0.2495 0.7047 0.2137 -0.0124 0.0287  -0.0054 416 ARG A CG  
1709 C CD  . ARG A 240 ? 0.2591 0.6969 0.2309 -0.0113 0.0307  -0.0136 416 ARG A CD  
1710 N NE  . ARG A 240 ? 0.2605 0.6988 0.2287 -0.0151 0.0337  -0.0270 416 ARG A NE  
1711 C CZ  . ARG A 240 ? 0.2732 0.7145 0.2392 -0.0168 0.0403  -0.0377 416 ARG A CZ  
1712 N NH1 . ARG A 240 ? 0.2788 0.7251 0.2458 -0.0144 0.0446  -0.0362 416 ARG A NH1 
1713 N NH2 . ARG A 240 ? 0.2768 0.7166 0.2400 -0.0215 0.0433  -0.0507 416 ARG A NH2 
1714 N N   . ARG A 241 ? 0.2500 0.7399 0.2003 -0.0112 0.0103  0.0132  417 ARG A N   
1715 C CA  . ARG A 241 ? 0.2478 0.7555 0.1940 -0.0121 0.0055  0.0117  417 ARG A CA  
1716 C C   . ARG A 241 ? 0.2548 0.7799 0.1952 -0.0072 0.0017  0.0261  417 ARG A C   
1717 O O   . ARG A 241 ? 0.2553 0.7997 0.1926 -0.0068 -0.0029 0.0262  417 ARG A O   
1718 C CB  . ARG A 241 ? 0.2348 0.7300 0.1898 -0.0114 0.0027  0.0094  417 ARG A CB  
1719 C CG  . ARG A 241 ? 0.2367 0.7148 0.1965 -0.0157 0.0067  -0.0032 417 ARG A CG  
1720 C CD  . ARG A 241 ? 0.2606 0.7492 0.2156 -0.0232 0.0099  -0.0186 417 ARG A CD  
1721 N NE  . ARG A 241 ? 0.2914 0.7976 0.2450 -0.0272 0.0061  -0.0238 417 ARG A NE  
1722 C CZ  . ARG A 241 ? 0.3035 0.8280 0.2514 -0.0346 0.0070  -0.0364 417 ARG A CZ  
1723 N NH1 . ARG A 241 ? 0.3074 0.8351 0.2492 -0.0387 0.0121  -0.0458 417 ARG A NH1 
1724 N NH2 . ARG A 241 ? 0.3190 0.8607 0.2679 -0.0384 0.0028  -0.0405 417 ARG A NH2 
1725 N N   . MET A 242 ? 0.2608 0.7799 0.2002 -0.0034 0.0040  0.0388  418 MET A N   
1726 C CA  . MET A 242 ? 0.2770 0.8108 0.2099 0.0018  0.0019  0.0544  418 MET A CA  
1727 C C   . MET A 242 ? 0.2951 0.8539 0.2149 -0.0017 0.0036  0.0514  418 MET A C   
1728 O O   . MET A 242 ? 0.2712 0.8272 0.1884 -0.0057 0.0092  0.0457  418 MET A O   
1729 C CB  . MET A 242 ? 0.2762 0.7917 0.2135 0.0061  0.0049  0.0691  418 MET A CB  
1730 C CG  . MET A 242 ? 0.3048 0.8289 0.2378 0.0133  0.0031  0.0876  418 MET A CG  
1731 S SD  . MET A 242 ? 0.3343 0.8401 0.2694 0.0156  0.0095  0.1046  418 MET A SD  
1732 C CE  . MET A 242 ? 0.3495 0.8818 0.2684 0.0153  0.0122  0.1139  418 MET A CE  
1733 N N   . VAL A 243 ? 0.3210 0.9062 0.2328 0.0002  -0.0012 0.0551  419 VAL A N   
1734 C CA  . VAL A 243 ? 0.3601 0.9735 0.2577 -0.0031 -0.0004 0.0522  419 VAL A CA  
1735 C C   . VAL A 243 ? 0.3784 0.9951 0.2684 0.0012  0.0032  0.0697  419 VAL A C   
1736 O O   . VAL A 243 ? 0.4220 1.0346 0.3133 0.0090  0.0014  0.0882  419 VAL A O   
1737 C CB  . VAL A 243 ? 0.3693 1.0146 0.2604 -0.0024 -0.0075 0.0507  419 VAL A CB  
1738 C CG1 . VAL A 243 ? 0.3743 1.0522 0.2490 -0.0049 -0.0072 0.0501  419 VAL A CG1 
1739 C CG2 . VAL A 243 ? 0.3737 1.0188 0.2715 -0.0095 -0.0094 0.0309  419 VAL A CG2 
1740 N N   . SER A 244 ? 0.3791 1.0033 0.2609 -0.0038 0.0089  0.0638  420 SER A N   
1741 C CA  . SER A 244 ? 0.3839 1.0203 0.2547 -0.0011 0.0124  0.0797  420 SER A CA  
1742 C C   . SER A 244 ? 0.3872 1.0553 0.2425 -0.0063 0.0134  0.0694  420 SER A C   
1743 O O   . SER A 244 ? 0.3801 1.0485 0.2357 -0.0136 0.0166  0.0490  420 SER A O   
1744 C CB  . SER A 244 ? 0.3534 0.9668 0.2304 -0.0023 0.0203  0.0848  420 SER A CB  
1745 O OG  . SER A 244 ? 0.3385 0.9465 0.2189 -0.0090 0.0248  0.0656  420 SER A OG  
1746 N N   . ASN A 245 ? 0.4146 1.1092 0.2560 -0.0022 0.0112  0.0836  421 ASN A N   
1747 C CA  . ASN A 245 ? 0.4268 1.1568 0.2511 -0.0070 0.0115  0.0746  421 ASN A CA  
1748 C C   . ASN A 245 ? 0.4213 1.1627 0.2466 -0.0150 0.0083  0.0486  421 ASN A C   
1749 O O   . ASN A 245 ? 0.4249 1.1751 0.2441 -0.0228 0.0132  0.0304  421 ASN A O   
1750 C CB  . ASN A 245 ? 0.4382 1.1663 0.2561 -0.0115 0.0215  0.0722  421 ASN A CB  
1751 C CG  . ASN A 245 ? 0.4671 1.1832 0.2847 -0.0058 0.0263  0.0968  421 ASN A CG  
1752 O OD1 . ASN A 245 ? 0.5136 1.2417 0.3233 0.0012  0.0232  0.1176  421 ASN A OD1 
1753 N ND2 . ASN A 245 ? 0.4667 1.1594 0.2933 -0.0089 0.0343  0.0948  421 ASN A ND2 
1754 N N   . GLY A 246 ? 0.4185 1.1566 0.2533 -0.0133 0.0012  0.0461  422 GLY A N   
1755 C CA  . GLY A 246 ? 0.4217 1.1683 0.2593 -0.0216 -0.0013 0.0223  422 GLY A CA  
1756 C C   . GLY A 246 ? 0.4222 1.1460 0.2668 -0.0300 0.0060  0.0006  422 GLY A C   
1757 O O   . GLY A 246 ? 0.4501 1.1857 0.2923 -0.0388 0.0065  -0.0208 422 GLY A O   
1758 N N   . ILE A 247 ? 0.4020 1.0941 0.2557 -0.0276 0.0121  0.0054  423 ILE A N   
1759 C CA  . ILE A 247 ? 0.3844 1.0500 0.2496 -0.0325 0.0171  -0.0120 423 ILE A CA  
1760 C C   . ILE A 247 ? 0.3642 0.9969 0.2450 -0.0274 0.0162  -0.0033 423 ILE A C   
1761 O O   . ILE A 247 ? 0.3566 0.9818 0.2403 -0.0204 0.0139  0.0160  423 ILE A O   
1762 C CB  . ILE A 247 ? 0.3970 1.0585 0.2588 -0.0369 0.0267  -0.0245 423 ILE A CB  
1763 C CG1 . ILE A 247 ? 0.3959 1.0607 0.2520 -0.0325 0.0308  -0.0082 423 ILE A CG1 
1764 C CG2 . ILE A 247 ? 0.4170 1.1026 0.2683 -0.0458 0.0284  -0.0463 423 ILE A CG2 
1765 C CD1 . ILE A 247 ? 0.3927 1.0915 0.2302 -0.0350 0.0327  -0.0088 423 ILE A CD1 
1766 N N   . VAL A 248 ? 0.3530 0.9666 0.2434 -0.0315 0.0186  -0.0186 424 VAL A N   
1767 C CA  . VAL A 248 ? 0.3230 0.9090 0.2273 -0.0284 0.0170  -0.0152 424 VAL A CA  
1768 C C   . VAL A 248 ? 0.3246 0.8908 0.2358 -0.0328 0.0235  -0.0322 424 VAL A C   
1769 O O   . VAL A 248 ? 0.3219 0.8979 0.2275 -0.0393 0.0275  -0.0487 424 VAL A O   
1770 C CB  . VAL A 248 ? 0.3187 0.9126 0.2259 -0.0281 0.0093  -0.0138 424 VAL A CB  
1771 C CG1 . VAL A 248 ? 0.3102 0.9169 0.2153 -0.0371 0.0093  -0.0341 424 VAL A CG1 
1772 C CG2 . VAL A 248 ? 0.2984 0.8653 0.2187 -0.0234 0.0076  -0.0065 424 VAL A CG2 
1773 N N   . GLU A 249 ? 0.3175 0.8564 0.2404 -0.0292 0.0249  -0.0285 425 GLU A N   
1774 C CA  . GLU A 249 ? 0.3157 0.8347 0.2458 -0.0316 0.0305  -0.0422 425 GLU A CA  
1775 C C   . GLU A 249 ? 0.3336 0.8427 0.2697 -0.0341 0.0276  -0.0480 425 GLU A C   
1776 O O   . GLU A 249 ? 0.3046 0.8165 0.2428 -0.0320 0.0212  -0.0390 425 GLU A O   
1777 C CB  . GLU A 249 ? 0.3039 0.8023 0.2430 -0.0261 0.0342  -0.0358 425 GLU A CB  
1778 C CG  . GLU A 249 ? 0.3028 0.8101 0.2379 -0.0250 0.0395  -0.0339 425 GLU A CG  
1779 C CD  . GLU A 249 ? 0.3088 0.8300 0.2381 -0.0227 0.0360  -0.0174 425 GLU A CD  
1780 O OE1 . GLU A 249 ? 0.2633 0.7741 0.1988 -0.0188 0.0318  -0.0045 425 GLU A OE1 
1781 O OE2 . GLU A 249 ? 0.3292 0.8719 0.2474 -0.0248 0.0378  -0.0174 425 GLU A OE2 
1782 N N   . ASP A 250 ? 0.3680 0.8656 0.3070 -0.0388 0.0333  -0.0635 426 ASP A N   
1783 C CA  . ASP A 250 ? 0.3960 0.8797 0.3417 -0.0420 0.0329  -0.0696 426 ASP A CA  
1784 C C   . ASP A 250 ? 0.3534 0.8152 0.3082 -0.0350 0.0309  -0.0575 426 ASP A C   
1785 O O   . ASP A 250 ? 0.3448 0.7974 0.3027 -0.0290 0.0325  -0.0501 426 ASP A O   
1786 C CB  . ASP A 250 ? 0.4529 0.9240 0.4001 -0.0477 0.0417  -0.0876 426 ASP A CB  
1787 C CG  . ASP A 250 ? 0.5063 0.9991 0.4451 -0.0574 0.0433  -0.1033 426 ASP A CG  
1788 O OD1 . ASP A 250 ? 0.5449 1.0655 0.4750 -0.0583 0.0379  -0.0994 426 ASP A OD1 
1789 O OD2 . ASP A 250 ? 0.5879 1.0702 0.5287 -0.0642 0.0503  -0.1198 426 ASP A OD2 
1790 N N   . TYR A 251 ? 0.3109 0.7670 0.2703 -0.0361 0.0273  -0.0559 427 TYR A N   
1791 C CA  . TYR A 251 ? 0.2987 0.7356 0.2657 -0.0300 0.0255  -0.0457 427 TYR A CA  
1792 C C   . TYR A 251 ? 0.3023 0.7174 0.2741 -0.0276 0.0323  -0.0498 427 TYR A C   
1793 O O   . TYR A 251 ? 0.3107 0.7174 0.2831 -0.0321 0.0383  -0.0619 427 TYR A O   
1794 C CB  . TYR A 251 ? 0.2784 0.7113 0.2496 -0.0319 0.0222  -0.0449 427 TYR A CB  
1795 C CG  . TYR A 251 ? 0.2715 0.6831 0.2492 -0.0256 0.0221  -0.0363 427 TYR A CG  
1796 C CD1 . TYR A 251 ? 0.2492 0.6614 0.2285 -0.0192 0.0173  -0.0236 427 TYR A CD1 
1797 C CD2 . TYR A 251 ? 0.2751 0.6662 0.2569 -0.0257 0.0275  -0.0410 427 TYR A CD2 
1798 C CE1 . TYR A 251 ? 0.2458 0.6416 0.2302 -0.0143 0.0170  -0.0175 427 TYR A CE1 
1799 C CE2 . TYR A 251 ? 0.2725 0.6479 0.2589 -0.0194 0.0269  -0.0329 427 TYR A CE2 
1800 C CZ  . TYR A 251 ? 0.2631 0.6421 0.2507 -0.0143 0.0214  -0.0220 427 TYR A CZ  
1801 O OH  . TYR A 251 ? 0.2603 0.6265 0.2522 -0.0089 0.0205  -0.0154 427 TYR A OH  
1802 N N   . LYS A 252 ? 0.3192 0.7256 0.2952 -0.0205 0.0315  -0.0400 428 LYS A N   
1803 C CA  . LYS A 252 ? 0.3117 0.6988 0.2938 -0.0162 0.0366  -0.0413 428 LYS A CA  
1804 C C   . LYS A 252 ? 0.2746 0.6518 0.2626 -0.0099 0.0327  -0.0299 428 LYS A C   
1805 O O   . LYS A 252 ? 0.2459 0.6307 0.2340 -0.0078 0.0278  -0.0208 428 LYS A O   
1806 C CB  . LYS A 252 ? 0.3417 0.7315 0.3236 -0.0142 0.0424  -0.0459 428 LYS A CB  
1807 C CG  . LYS A 252 ? 0.3685 0.7638 0.3453 -0.0203 0.0485  -0.0605 428 LYS A CG  
1808 C CD  . LYS A 252 ? 0.4030 0.7793 0.3831 -0.0227 0.0550  -0.0709 428 LYS A CD  
1809 C CE  . LYS A 252 ? 0.4499 0.8336 0.4245 -0.0302 0.0613  -0.0873 428 LYS A CE  
1810 N NZ  . LYS A 252 ? 0.4870 0.8518 0.4644 -0.0350 0.0689  -0.0996 428 LYS A NZ  
1811 N N   . PRO A 253 ? 0.2632 0.6230 0.2558 -0.0070 0.0354  -0.0305 429 PRO A N   
1812 C CA  . PRO A 253 ? 0.2548 0.6073 0.2525 -0.0007 0.0322  -0.0210 429 PRO A CA  
1813 C C   . PRO A 253 ? 0.2715 0.6282 0.2732 0.0044  0.0336  -0.0181 429 PRO A C   
1814 O O   . PRO A 253 ? 0.2693 0.6271 0.2713 0.0048  0.0393  -0.0246 429 PRO A O   
1815 C CB  . PRO A 253 ? 0.2607 0.5957 0.2606 0.0010  0.0361  -0.0229 429 PRO A CB  
1816 C CG  . PRO A 253 ? 0.2662 0.5959 0.2649 -0.0022 0.0438  -0.0338 429 PRO A CG  
1817 C CD  . PRO A 253 ? 0.2679 0.6141 0.2611 -0.0094 0.0423  -0.0397 429 PRO A CD  
1818 N N   . PRO A 254 ? 0.2748 0.6351 0.2802 0.0075  0.0288  -0.0096 430 PRO A N   
1819 C CA  . PRO A 254 ? 0.2798 0.6466 0.2909 0.0115  0.0304  -0.0076 430 PRO A CA  
1820 C C   . PRO A 254 ? 0.2845 0.6429 0.3005 0.0175  0.0356  -0.0108 430 PRO A C   
1821 O O   . PRO A 254 ? 0.2605 0.6066 0.2774 0.0206  0.0356  -0.0095 430 PRO A O   
1822 C CB  . PRO A 254 ? 0.2634 0.6325 0.2786 0.0129  0.0246  0.0005  430 PRO A CB  
1823 C CG  . PRO A 254 ? 0.2715 0.6328 0.2833 0.0114  0.0206  0.0025  430 PRO A CG  
1824 C CD  . PRO A 254 ? 0.2743 0.6343 0.2797 0.0071  0.0226  -0.0029 430 PRO A CD  
1825 N N   . PHE A 255 ? 0.2799 0.6453 0.2991 0.0197  0.0405  -0.0143 431 PHE A N   
1826 C CA  . PHE A 255 ? 0.2848 0.6445 0.3106 0.0274  0.0463  -0.0168 431 PHE A CA  
1827 C C   . PHE A 255 ? 0.2991 0.6431 0.3220 0.0274  0.0534  -0.0251 431 PHE A C   
1828 O O   . PHE A 255 ? 0.2862 0.6195 0.3145 0.0350  0.0586  -0.0258 431 PHE A O   
1829 C CB  . PHE A 255 ? 0.2987 0.6573 0.3320 0.0349  0.0423  -0.0085 431 PHE A CB  
1830 C CG  . PHE A 255 ? 0.3088 0.6837 0.3469 0.0338  0.0369  -0.0029 431 PHE A CG  
1831 C CD1 . PHE A 255 ? 0.3211 0.7103 0.3658 0.0354  0.0399  -0.0039 431 PHE A CD1 
1832 C CD2 . PHE A 255 ? 0.3243 0.7002 0.3605 0.0301  0.0298  0.0025  431 PHE A CD2 
1833 C CE1 . PHE A 255 ? 0.3223 0.7261 0.3722 0.0326  0.0359  0.0006  431 PHE A CE1 
1834 C CE2 . PHE A 255 ? 0.3172 0.7062 0.3583 0.0276  0.0260  0.0062  431 PHE A CE2 
1835 C CZ  . PHE A 255 ? 0.3228 0.7255 0.3708 0.0283  0.0291  0.0054  431 PHE A CZ  
1836 N N   . TYR A 256 ? 0.2957 0.6389 0.3105 0.0190  0.0538  -0.0315 432 TYR A N   
1837 C CA  . TYR A 256 ? 0.3141 0.6434 0.3259 0.0157  0.0609  -0.0417 432 TYR A CA  
1838 C C   . TYR A 256 ? 0.3287 0.6527 0.3443 0.0201  0.0706  -0.0502 432 TYR A C   
1839 O O   . TYR A 256 ? 0.3417 0.6470 0.3594 0.0222  0.0777  -0.0552 432 TYR A O   
1840 C CB  . TYR A 256 ? 0.3109 0.6491 0.3140 0.0050  0.0593  -0.0488 432 TYR A CB  
1841 C CG  . TYR A 256 ? 0.3093 0.6662 0.3081 0.0017  0.0608  -0.0543 432 TYR A CG  
1842 C CD1 . TYR A 256 ? 0.2934 0.6674 0.2906 0.0016  0.0550  -0.0461 432 TYR A CD1 
1843 C CD2 . TYR A 256 ? 0.3144 0.6711 0.3101 -0.0019 0.0688  -0.0681 432 TYR A CD2 
1844 C CE1 . TYR A 256 ? 0.3001 0.6914 0.2921 -0.0015 0.0570  -0.0498 432 TYR A CE1 
1845 C CE2 . TYR A 256 ? 0.3280 0.7033 0.3182 -0.0051 0.0705  -0.0733 432 TYR A CE2 
1846 C CZ  . TYR A 256 ? 0.3180 0.7111 0.3060 -0.0047 0.0645  -0.0634 432 TYR A CZ  
1847 O OH  . TYR A 256 ? 0.3265 0.7384 0.3080 -0.0079 0.0669  -0.0676 432 TYR A OH  
1848 N N   . ASP A 257 ? 0.3388 0.6789 0.3557 0.0216  0.0718  -0.0517 433 ASP A N   
1849 C CA  . ASP A 257 ? 0.3563 0.6952 0.3766 0.0254  0.0816  -0.0613 433 ASP A CA  
1850 C C   . ASP A 257 ? 0.3703 0.7007 0.4020 0.0383  0.0857  -0.0565 433 ASP A C   
1851 O O   . ASP A 257 ? 0.4442 0.7680 0.4802 0.0435  0.0952  -0.0645 433 ASP A O   
1852 C CB  . ASP A 257 ? 0.3497 0.7116 0.3665 0.0219  0.0818  -0.0644 433 ASP A CB  
1853 C CG  . ASP A 257 ? 0.3417 0.7197 0.3618 0.0236  0.0741  -0.0518 433 ASP A CG  
1854 O OD1 . ASP A 257 ? 0.3368 0.7098 0.3617 0.0273  0.0681  -0.0418 433 ASP A OD1 
1855 O OD2 . ASP A 257 ? 0.3512 0.7474 0.3684 0.0203  0.0744  -0.0520 433 ASP A OD2 
1856 N N   . VAL A 258 ? 0.3479 0.6804 0.3846 0.0438  0.0785  -0.0438 434 VAL A N   
1857 C CA  . VAL A 258 ? 0.3535 0.6846 0.4015 0.0568  0.0802  -0.0370 434 VAL A CA  
1858 C C   . VAL A 258 ? 0.3751 0.6911 0.4249 0.0628  0.0770  -0.0274 434 VAL A C   
1859 O O   . VAL A 258 ? 0.3663 0.6818 0.4248 0.0746  0.0780  -0.0207 434 VAL A O   
1860 C CB  . VAL A 258 ? 0.3348 0.6904 0.3889 0.0588  0.0749  -0.0308 434 VAL A CB  
1861 C CG1 . VAL A 258 ? 0.3343 0.7039 0.3887 0.0564  0.0813  -0.0397 434 VAL A CG1 
1862 C CG2 . VAL A 258 ? 0.3071 0.6717 0.3558 0.0506  0.0644  -0.0238 434 VAL A CG2 
1863 N N   . VAL A 259 ? 0.3727 0.6783 0.4144 0.0552  0.0733  -0.0263 435 VAL A N   
1864 C CA  . VAL A 259 ? 0.4096 0.6987 0.4515 0.0603  0.0724  -0.0182 435 VAL A CA  
1865 C C   . VAL A 259 ? 0.4246 0.6932 0.4595 0.0524  0.0773  -0.0244 435 VAL A C   
1866 O O   . VAL A 259 ? 0.4245 0.6983 0.4529 0.0410  0.0760  -0.0324 435 VAL A O   
1867 C CB  . VAL A 259 ? 0.3880 0.6888 0.4293 0.0608  0.0613  -0.0068 435 VAL A CB  
1868 C CG1 . VAL A 259 ? 0.3813 0.7018 0.4316 0.0689  0.0575  -0.0011 435 VAL A CG1 
1869 C CG2 . VAL A 259 ? 0.3633 0.6723 0.3969 0.0488  0.0546  -0.0087 435 VAL A CG2 
1870 N N   . PRO A 260 ? 0.4649 0.7113 0.5015 0.0585  0.0831  -0.0203 436 PRO A N   
1871 C CA  . PRO A 260 ? 0.4688 0.6954 0.4996 0.0497  0.0880  -0.0256 436 PRO A CA  
1872 C C   . PRO A 260 ? 0.4345 0.6676 0.4589 0.0421  0.0792  -0.0201 436 PRO A C   
1873 O O   . PRO A 260 ? 0.3948 0.6446 0.4190 0.0446  0.0697  -0.0121 436 PRO A O   
1874 C CB  . PRO A 260 ? 0.5015 0.7028 0.5365 0.0599  0.0968  -0.0194 436 PRO A CB  
1875 C CG  . PRO A 260 ? 0.5103 0.7227 0.5513 0.0745  0.0916  -0.0060 436 PRO A CG  
1876 C CD  . PRO A 260 ? 0.4895 0.7302 0.5330 0.0735  0.0843  -0.0087 436 PRO A CD  
1877 N N   . ASN A 261 ? 0.4601 0.6807 0.4798 0.0324  0.0827  -0.0255 437 ASN A N   
1878 C CA  . ASN A 261 ? 0.4549 0.6784 0.4697 0.0266  0.0763  -0.0199 437 ASN A CA  
1879 C C   . ASN A 261 ? 0.4462 0.6628 0.4616 0.0368  0.0741  -0.0049 437 ASN A C   
1880 O O   . ASN A 261 ? 0.4334 0.6335 0.4522 0.0460  0.0810  0.0003  437 ASN A O   
1881 C CB  . ASN A 261 ? 0.5019 0.7130 0.5134 0.0143  0.0824  -0.0292 437 ASN A CB  
1882 C CG  . ASN A 261 ? 0.5320 0.7414 0.5399 0.0100  0.0788  -0.0223 437 ASN A CG  
1883 O OD1 . ASN A 261 ? 0.5597 0.7517 0.5676 0.0144  0.0832  -0.0140 437 ASN A OD1 
1884 N ND2 . ASN A 261 ? 0.5376 0.7652 0.5423 0.0021  0.0712  -0.0250 437 ASN A ND2 
1885 N N   . ASP A 262 ? 0.4168 0.6470 0.4289 0.0357  0.0647  0.0021  438 ASP A N   
1886 C CA  . ASP A 262 ? 0.4252 0.6543 0.4362 0.0442  0.0611  0.0155  438 ASP A CA  
1887 C C   . ASP A 262 ? 0.4058 0.6402 0.4228 0.0575  0.0604  0.0220  438 ASP A C   
1888 O O   . ASP A 262 ? 0.4079 0.6283 0.4267 0.0672  0.0660  0.0294  438 ASP A O   
1889 C CB  . ASP A 262 ? 0.4436 0.6507 0.4509 0.0430  0.0684  0.0199  438 ASP A CB  
1890 C CG  . ASP A 262 ? 0.4687 0.6767 0.4725 0.0512  0.0646  0.0343  438 ASP A CG  
1891 O OD1 . ASP A 262 ? 0.4328 0.6598 0.4344 0.0519  0.0549  0.0380  438 ASP A OD1 
1892 O OD2 . ASP A 262 ? 0.4898 0.6789 0.4926 0.0568  0.0720  0.0420  438 ASP A OD2 
1893 N N   . PRO A 263 ? 0.3832 0.6382 0.4038 0.0582  0.0540  0.0195  439 PRO A N   
1894 C CA  . PRO A 263 ? 0.3919 0.6557 0.4201 0.0702  0.0536  0.0243  439 PRO A CA  
1895 C C   . PRO A 263 ? 0.4103 0.6818 0.4386 0.0798  0.0478  0.0372  439 PRO A C   
1896 O O   . PRO A 263 ? 0.3831 0.6636 0.4063 0.0754  0.0404  0.0404  439 PRO A O   
1897 C CB  . PRO A 263 ? 0.3541 0.6392 0.3855 0.0655  0.0483  0.0183  439 PRO A CB  
1898 C CG  . PRO A 263 ? 0.3596 0.6496 0.3842 0.0540  0.0427  0.0152  439 PRO A CG  
1899 C CD  . PRO A 263 ? 0.3619 0.6331 0.3805 0.0486  0.0476  0.0131  439 PRO A CD  
1900 N N   . SER A 264 ? 0.4195 0.6888 0.4539 0.0930  0.0513  0.0440  440 SER A N   
1901 C CA  . SER A 264 ? 0.4380 0.7198 0.4732 0.1034  0.0452  0.0563  440 SER A CA  
1902 C C   . SER A 264 ? 0.4399 0.7520 0.4793 0.1018  0.0347  0.0550  440 SER A C   
1903 O O   . SER A 264 ? 0.4198 0.7418 0.4632 0.0951  0.0335  0.0463  440 SER A O   
1904 C CB  . SER A 264 ? 0.4429 0.7156 0.4843 0.1195  0.0520  0.0648  440 SER A CB  
1905 O OG  . SER A 264 ? 0.4704 0.7641 0.5227 0.1280  0.0493  0.0648  440 SER A OG  
1906 N N   . PHE A 265 ? 0.4689 0.7956 0.5065 0.1071  0.0274  0.0637  441 PHE A N   
1907 C CA  . PHE A 265 ? 0.4473 0.8030 0.4897 0.1055  0.0178  0.0625  441 PHE A CA  
1908 C C   . PHE A 265 ? 0.4875 0.8581 0.5431 0.1140  0.0193  0.0619  441 PHE A C   
1909 O O   . PHE A 265 ? 0.4469 0.8374 0.5094 0.1089  0.0151  0.0560  441 PHE A O   
1910 C CB  . PHE A 265 ? 0.4259 0.7941 0.4628 0.1103  0.0106  0.0717  441 PHE A CB  
1911 C CG  . PHE A 265 ? 0.3845 0.7838 0.4271 0.1090  0.0011  0.0699  441 PHE A CG  
1912 C CD1 . PHE A 265 ? 0.3769 0.7975 0.4298 0.1203  -0.0014 0.0749  441 PHE A CD1 
1913 C CD2 . PHE A 265 ? 0.3565 0.7643 0.3951 0.0964  -0.0050 0.0629  441 PHE A CD2 
1914 C CE1 . PHE A 265 ? 0.3589 0.8106 0.4181 0.1175  -0.0101 0.0719  441 PHE A CE1 
1915 C CE2 . PHE A 265 ? 0.3464 0.7818 0.3908 0.0936  -0.0130 0.0598  441 PHE A CE2 
1916 C CZ  . PHE A 265 ? 0.3560 0.8142 0.4108 0.1034  -0.0157 0.0639  441 PHE A CZ  
1917 N N   . GLU A 266 ? 0.5404 0.8997 0.6000 0.1270  0.0263  0.0680  442 GLU A N   
1918 C CA  . GLU A 266 ? 0.5692 0.9410 0.6421 0.1381  0.0292  0.0687  442 GLU A CA  
1919 C C   . GLU A 266 ? 0.5103 0.8729 0.5872 0.1315  0.0367  0.0567  442 GLU A C   
1920 O O   . GLU A 266 ? 0.5333 0.9153 0.6202 0.1322  0.0361  0.0521  442 GLU A O   
1921 C CB  . GLU A 266 ? 0.6418 1.0027 0.7175 0.1563  0.0349  0.0808  442 GLU A CB  
1922 C CG  . GLU A 266 ? 0.6836 1.0467 0.7509 0.1629  0.0295  0.0944  442 GLU A CG  
1923 C CD  . GLU A 266 ? 0.7764 1.1086 0.8299 0.1567  0.0345  0.0967  442 GLU A CD  
1924 O OE1 . GLU A 266 ? 0.8208 1.1239 0.8738 0.1559  0.0454  0.0934  442 GLU A OE1 
1925 O OE2 . GLU A 266 ? 0.8238 1.1612 0.8671 0.1518  0.0281  0.1010  442 GLU A OE2 
1926 N N   . ASP A 267 ? 0.4611 0.7967 0.5301 0.1244  0.0437  0.0512  443 ASP A N   
1927 C CA  . ASP A 267 ? 0.3948 0.7228 0.4645 0.1159  0.0503  0.0386  443 ASP A CA  
1928 C C   . ASP A 267 ? 0.3605 0.7102 0.4316 0.1047  0.0441  0.0316  443 ASP A C   
1929 O O   . ASP A 267 ? 0.3439 0.7017 0.4208 0.1031  0.0480  0.0243  443 ASP A O   
1930 C CB  . ASP A 267 ? 0.4108 0.7122 0.4698 0.1061  0.0554  0.0334  443 ASP A CB  
1931 C CG  . ASP A 267 ? 0.4278 0.7015 0.4865 0.1144  0.0659  0.0365  443 ASP A CG  
1932 O OD1 . ASP A 267 ? 0.4207 0.6941 0.4882 0.1284  0.0706  0.0411  443 ASP A OD1 
1933 O OD2 . ASP A 267 ? 0.4303 0.6826 0.4809 0.1069  0.0700  0.0342  443 ASP A OD2 
1934 N N   . MET A 268 ? 0.3137 0.6711 0.3789 0.0970  0.0354  0.0340  444 MET A N   
1935 C CA  . MET A 268 ? 0.2808 0.6536 0.3455 0.0854  0.0298  0.0287  444 MET A CA  
1936 C C   . MET A 268 ? 0.2638 0.6641 0.3398 0.0886  0.0253  0.0302  444 MET A C   
1937 O O   . MET A 268 ? 0.2333 0.6448 0.3137 0.0826  0.0263  0.0247  444 MET A O   
1938 C CB  . MET A 268 ? 0.2671 0.6361 0.3222 0.0771  0.0233  0.0305  444 MET A CB  
1939 C CG  . MET A 268 ? 0.2701 0.6162 0.3151 0.0708  0.0274  0.0273  444 MET A CG  
1940 S SD  . MET A 268 ? 0.2828 0.6241 0.3255 0.0607  0.0328  0.0165  444 MET A SD  
1941 C CE  . MET A 268 ? 0.2738 0.6353 0.3178 0.0521  0.0250  0.0158  444 MET A CE  
1942 N N   . ARG A 269 ? 0.2825 0.6951 0.3629 0.0975  0.0204  0.0377  445 ARG A N   
1943 C CA  . ARG A 269 ? 0.2943 0.7364 0.3874 0.1012  0.0162  0.0387  445 ARG A CA  
1944 C C   . ARG A 269 ? 0.2956 0.7446 0.3993 0.1054  0.0235  0.0343  445 ARG A C   
1945 O O   . ARG A 269 ? 0.3188 0.7877 0.4302 0.0994  0.0222  0.0301  445 ARG A O   
1946 C CB  . ARG A 269 ? 0.3084 0.7636 0.4053 0.1139  0.0113  0.0482  445 ARG A CB  
1947 C CG  . ARG A 269 ? 0.3047 0.7949 0.4161 0.1170  0.0064  0.0483  445 ARG A CG  
1948 C CD  . ARG A 269 ? 0.3179 0.8294 0.4300 0.1219  -0.0031 0.0550  445 ARG A CD  
1949 N NE  . ARG A 269 ? 0.3436 0.8571 0.4591 0.1404  -0.0017 0.0656  445 ARG A NE  
1950 C CZ  . ARG A 269 ? 0.3732 0.8932 0.4833 0.1484  -0.0075 0.0751  445 ARG A CZ  
1951 N NH1 . ARG A 269 ? 0.3684 0.8939 0.4685 0.1391  -0.0154 0.0743  445 ARG A NH1 
1952 N NH2 . ARG A 269 ? 0.3783 0.8989 0.4926 0.1669  -0.0046 0.0861  445 ARG A NH2 
1953 N N   . LYS A 270 ? 0.3041 0.7354 0.4079 0.1150  0.0320  0.0349  446 LYS A N   
1954 C CA  . LYS A 270 ? 0.3018 0.7367 0.4150 0.1205  0.0405  0.0297  446 LYS A CA  
1955 C C   . LYS A 270 ? 0.2759 0.7115 0.3859 0.1069  0.0437  0.0197  446 LYS A C   
1956 O O   . LYS A 270 ? 0.2367 0.6920 0.3562 0.1063  0.0459  0.0160  446 LYS A O   
1957 C CB  . LYS A 270 ? 0.3376 0.7467 0.4493 0.1318  0.0500  0.0310  446 LYS A CB  
1958 C CG  . LYS A 270 ? 0.3765 0.7833 0.4961 0.1374  0.0609  0.0236  446 LYS A CG  
1959 C CD  . LYS A 270 ? 0.3952 0.8322 0.5313 0.1464  0.0607  0.0248  446 LYS A CD  
1960 C CE  . LYS A 270 ? 0.4291 0.8633 0.5711 0.1495  0.0724  0.0152  446 LYS A CE  
1961 N NZ  . LYS A 270 ? 0.4812 0.9489 0.6387 0.1536  0.0720  0.0143  446 LYS A NZ  
1962 N N   . VAL A 271 ? 0.2470 0.6631 0.3438 0.0964  0.0442  0.0160  447 VAL A N   
1963 C CA  . VAL A 271 ? 0.2419 0.6588 0.3337 0.0841  0.0466  0.0081  447 VAL A CA  
1964 C C   . VAL A 271 ? 0.2274 0.6635 0.3206 0.0739  0.0394  0.0094  447 VAL A C   
1965 O O   . VAL A 271 ? 0.2381 0.6875 0.3350 0.0684  0.0419  0.0058  447 VAL A O   
1966 C CB  . VAL A 271 ? 0.2570 0.6493 0.3348 0.0768  0.0491  0.0040  447 VAL A CB  
1967 C CG1 . VAL A 271 ? 0.2469 0.6435 0.3183 0.0646  0.0500  -0.0024 447 VAL A CG1 
1968 C CG2 . VAL A 271 ? 0.2695 0.6417 0.3469 0.0846  0.0585  0.0003  447 VAL A CG2 
1969 N N   . VAL A 272 ? 0.2255 0.6630 0.3163 0.0712  0.0312  0.0144  448 VAL A N   
1970 C CA  . VAL A 272 ? 0.2059 0.6561 0.2972 0.0603  0.0252  0.0146  448 VAL A CA  
1971 C C   . VAL A 272 ? 0.2124 0.6900 0.3181 0.0624  0.0225  0.0158  448 VAL A C   
1972 O O   . VAL A 272 ? 0.1931 0.6842 0.3038 0.0542  0.0234  0.0134  448 VAL A O   
1973 C CB  . VAL A 272 ? 0.2111 0.6506 0.2935 0.0562  0.0184  0.0175  448 VAL A CB  
1974 C CG1 . VAL A 272 ? 0.2043 0.6553 0.2886 0.0460  0.0127  0.0173  448 VAL A CG1 
1975 C CG2 . VAL A 272 ? 0.2206 0.6369 0.2903 0.0524  0.0213  0.0155  448 VAL A CG2 
1976 N N   . CYS A 273 ? 0.2135 0.7004 0.3261 0.0735  0.0196  0.0201  449 CYS A N   
1977 C CA  . CYS A 273 ? 0.2105 0.7277 0.3373 0.0755  0.0151  0.0214  449 CYS A CA  
1978 C C   . CYS A 273 ? 0.2066 0.7409 0.3473 0.0844  0.0213  0.0203  449 CYS A C   
1979 O O   . CYS A 273 ? 0.2159 0.7724 0.3672 0.0786  0.0221  0.0173  449 CYS A O   
1980 C CB  . CYS A 273 ? 0.2103 0.7349 0.3373 0.0827  0.0072  0.0273  449 CYS A CB  
1981 S SG  . CYS A 273 ? 0.2160 0.7263 0.3285 0.0727  -0.0002 0.0278  449 CYS A SG  
1982 N N   . VAL A 274 ? 0.2072 0.7302 0.3481 0.0982  0.0266  0.0226  450 VAL A N   
1983 C CA  . VAL A 274 ? 0.2230 0.7602 0.3775 0.1098  0.0330  0.0219  450 VAL A CA  
1984 C C   . VAL A 274 ? 0.2334 0.7680 0.3876 0.1029  0.0420  0.0140  450 VAL A C   
1985 O O   . VAL A 274 ? 0.2315 0.7903 0.3983 0.1026  0.0449  0.0113  450 VAL A O   
1986 C CB  . VAL A 274 ? 0.2335 0.7551 0.3879 0.1274  0.0368  0.0274  450 VAL A CB  
1987 C CG1 . VAL A 274 ? 0.2485 0.7805 0.4168 0.1406  0.0454  0.0258  450 VAL A CG1 
1988 C CG2 . VAL A 274 ? 0.2375 0.7694 0.3933 0.1354  0.0277  0.0368  450 VAL A CG2 
1989 N N   . ASP A 275 ? 0.2483 0.7563 0.3882 0.0970  0.0462  0.0101  451 ASP A N   
1990 C CA  . ASP A 275 ? 0.2613 0.7670 0.3979 0.0902  0.0544  0.0026  451 ASP A CA  
1991 C C   . ASP A 275 ? 0.2517 0.7650 0.3835 0.0740  0.0514  0.0013  451 ASP A C   
1992 O O   . ASP A 275 ? 0.2511 0.7702 0.3819 0.0684  0.0576  -0.0032 451 ASP A O   
1993 C CB  . ASP A 275 ? 0.2862 0.7628 0.4102 0.0914  0.0606  -0.0019 451 ASP A CB  
1994 C CG  . ASP A 275 ? 0.3263 0.7913 0.4556 0.1073  0.0663  -0.0011 451 ASP A CG  
1995 O OD1 . ASP A 275 ? 0.3474 0.8288 0.4905 0.1191  0.0655  0.0037  451 ASP A OD1 
1996 O OD2 . ASP A 275 ? 0.3721 0.8116 0.4925 0.1082  0.0719  -0.0052 451 ASP A OD2 
1997 N N   . GLN A 276 ? 0.2541 0.7674 0.3827 0.0669  0.0427  0.0055  452 GLN A N   
1998 C CA  . GLN A 276 ? 0.2735 0.7885 0.3968 0.0521  0.0403  0.0053  452 GLN A CA  
1999 C C   . GLN A 276 ? 0.2779 0.7765 0.3872 0.0451  0.0452  0.0023  452 GLN A C   
2000 O O   . GLN A 276 ? 0.2564 0.7613 0.3636 0.0353  0.0472  0.0021  452 GLN A O   
2001 C CB  . GLN A 276 ? 0.3107 0.8529 0.4477 0.0469  0.0411  0.0050  452 GLN A CB  
2002 C CG  . GLN A 276 ? 0.3409 0.9038 0.4922 0.0534  0.0354  0.0073  452 GLN A CG  
2003 C CD  . GLN A 276 ? 0.4246 1.0142 0.5890 0.0440  0.0342  0.0064  452 GLN A CD  
2004 O OE1 . GLN A 276 ? 0.5025 1.1169 0.6818 0.0486  0.0375  0.0050  452 GLN A OE1 
2005 N NE2 . GLN A 276 ? 0.4785 1.0634 0.6384 0.0306  0.0301  0.0068  452 GLN A NE2 
2006 N N   . GLN A 277 ? 0.3037 0.7817 0.4033 0.0497  0.0469  0.0003  453 GLN A N   
2007 C CA  . GLN A 277 ? 0.3167 0.7811 0.4028 0.0435  0.0506  -0.0035 453 GLN A CA  
2008 C C   . GLN A 277 ? 0.2985 0.7543 0.3754 0.0342  0.0440  0.0004  453 GLN A C   
2009 O O   . GLN A 277 ? 0.2859 0.7364 0.3635 0.0351  0.0374  0.0042  453 GLN A O   
2010 C CB  . GLN A 277 ? 0.3593 0.8049 0.4394 0.0503  0.0552  -0.0085 453 GLN A CB  
2011 C CG  . GLN A 277 ? 0.3996 0.8485 0.4911 0.0633  0.0601  -0.0098 453 GLN A CG  
2012 C CD  . GLN A 277 ? 0.4486 0.8832 0.5369 0.0689  0.0695  -0.0178 453 GLN A CD  
2013 O OE1 . GLN A 277 ? 0.4680 0.8878 0.5587 0.0784  0.0716  -0.0171 453 GLN A OE1 
2014 N NE2 . GLN A 277 ? 0.4541 0.8939 0.5378 0.0635  0.0759  -0.0254 453 GLN A NE2 
2015 N N   . ARG A 278 ? 0.2888 0.7442 0.3569 0.0261  0.0462  -0.0003 454 ARG A N   
2016 C CA  . ARG A 278 ? 0.2605 0.7074 0.3194 0.0184  0.0415  0.0036  454 ARG A CA  
2017 C C   . ARG A 278 ? 0.2772 0.7169 0.3230 0.0154  0.0443  0.0003  454 ARG A C   
2018 O O   . ARG A 278 ? 0.2551 0.7013 0.2988 0.0162  0.0509  -0.0050 454 ARG A O   
2019 C CB  . ARG A 278 ? 0.2450 0.7030 0.3079 0.0108  0.0407  0.0087  454 ARG A CB  
2020 C CG  . ARG A 278 ? 0.2505 0.7186 0.3267 0.0113  0.0375  0.0105  454 ARG A CG  
2021 C CD  . ARG A 278 ? 0.2704 0.7277 0.3456 0.0123  0.0299  0.0123  454 ARG A CD  
2022 N NE  . ARG A 278 ? 0.2684 0.7385 0.3553 0.0103  0.0264  0.0132  454 ARG A NE  
2023 C CZ  . ARG A 278 ? 0.2900 0.7719 0.3867 0.0171  0.0245  0.0119  454 ARG A CZ  
2024 N NH1 . ARG A 278 ? 0.2864 0.7660 0.3831 0.0278  0.0262  0.0107  454 ARG A NH1 
2025 N NH2 . ARG A 278 ? 0.2976 0.7942 0.4046 0.0132  0.0208  0.0120  454 ARG A NH2 
2026 N N   . PRO A 279 ? 0.2687 0.6971 0.3058 0.0120  0.0396  0.0026  455 PRO A N   
2027 C CA  . PRO A 279 ? 0.2779 0.7037 0.3034 0.0091  0.0418  -0.0013 455 PRO A CA  
2028 C C   . PRO A 279 ? 0.2953 0.7354 0.3160 0.0051  0.0468  -0.0015 455 PRO A C   
2029 O O   . PRO A 279 ? 0.3019 0.7498 0.3239 0.0013  0.0463  0.0056  455 PRO A O   
2030 C CB  . PRO A 279 ? 0.2807 0.6979 0.3003 0.0059  0.0355  0.0036  455 PRO A CB  
2031 C CG  . PRO A 279 ? 0.2624 0.6716 0.2893 0.0091  0.0309  0.0063  455 PRO A CG  
2032 C CD  . PRO A 279 ? 0.2620 0.6821 0.2996 0.0106  0.0327  0.0077  455 PRO A CD  
2033 N N   . ASN A 280 ? 0.3321 0.7754 0.3472 0.0056  0.0522  -0.0099 456 ASN A N   
2034 C CA  . ASN A 280 ? 0.3571 0.8157 0.3650 0.0017  0.0572  -0.0111 456 ASN A CA  
2035 C C   . ASN A 280 ? 0.3305 0.7938 0.3277 -0.0038 0.0535  -0.0039 456 ASN A C   
2036 O O   . ASN A 280 ? 0.3218 0.7789 0.3121 -0.0049 0.0493  -0.0050 456 ASN A O   
2037 C CB  . ASN A 280 ? 0.4303 0.8905 0.4328 0.0027  0.0636  -0.0238 456 ASN A CB  
2038 C CG  . ASN A 280 ? 0.5112 0.9756 0.5232 0.0081  0.0710  -0.0299 456 ASN A CG  
2039 O OD1 . ASN A 280 ? 0.5826 1.0418 0.6068 0.0138  0.0700  -0.0273 456 ASN A OD1 
2040 N ND2 . ASN A 280 ? 0.5688 1.0448 0.5754 0.0067  0.0784  -0.0380 456 ASN A ND2 
2041 N N   . ILE A 281 ? 0.3187 0.7936 0.3146 -0.0068 0.0556  0.0038  457 ILE A N   
2042 C CA  . ILE A 281 ? 0.3242 0.8060 0.3085 -0.0107 0.0538  0.0117  457 ILE A CA  
2043 C C   . ILE A 281 ? 0.3497 0.8473 0.3218 -0.0126 0.0588  0.0044  457 ILE A C   
2044 O O   . ILE A 281 ? 0.3195 0.8285 0.2923 -0.0130 0.0658  0.0005  457 ILE A O   
2045 C CB  . ILE A 281 ? 0.3153 0.8004 0.3029 -0.0136 0.0547  0.0251  457 ILE A CB  
2046 C CG1 . ILE A 281 ? 0.3133 0.7856 0.3147 -0.0130 0.0513  0.0288  457 ILE A CG1 
2047 C CG2 . ILE A 281 ? 0.3127 0.8000 0.2892 -0.0154 0.0519  0.0358  457 ILE A CG2 
2048 C CD1 . ILE A 281 ? 0.2985 0.7551 0.3003 -0.0112 0.0439  0.0303  457 ILE A CD1 
2049 N N   . PRO A 282 ? 0.3404 0.8404 0.3016 -0.0139 0.0552  0.0011  458 PRO A N   
2050 C CA  . PRO A 282 ? 0.3466 0.8653 0.2944 -0.0169 0.0592  -0.0054 458 PRO A CA  
2051 C C   . PRO A 282 ? 0.3258 0.8608 0.2658 -0.0189 0.0616  0.0068  458 PRO A C   
2052 O O   . PRO A 282 ? 0.3264 0.8581 0.2666 -0.0186 0.0578  0.0214  458 PRO A O   
2053 C CB  . PRO A 282 ? 0.3593 0.8795 0.2985 -0.0185 0.0530  -0.0085 458 PRO A CB  
2054 C CG  . PRO A 282 ? 0.3564 0.8558 0.3057 -0.0160 0.0475  -0.0070 458 PRO A CG  
2055 C CD  . PRO A 282 ? 0.3354 0.8243 0.2961 -0.0133 0.0478  0.0026  458 PRO A CD  
2056 N N   . ASN A 283 ? 0.3234 0.8755 0.2563 -0.0209 0.0686  0.0009  459 ASN A N   
2057 C CA  . ASN A 283 ? 0.3266 0.8955 0.2507 -0.0230 0.0720  0.0134  459 ASN A CA  
2058 C C   . ASN A 283 ? 0.3124 0.8915 0.2224 -0.0236 0.0665  0.0251  459 ASN A C   
2059 O O   . ASN A 283 ? 0.2957 0.8787 0.2025 -0.0237 0.0676  0.0419  459 ASN A O   
2060 C CB  . ASN A 283 ? 0.3486 0.9358 0.2668 -0.0250 0.0813  0.0038  459 ASN A CB  
2061 C CG  . ASN A 283 ? 0.3497 0.9310 0.2833 -0.0233 0.0877  -0.0006 459 ASN A CG  
2062 O OD1 . ASN A 283 ? 0.3667 0.9410 0.3107 -0.0232 0.0876  0.0107  459 ASN A OD1 
2063 N ND2 . ASN A 283 ? 0.3573 0.9411 0.2933 -0.0219 0.0935  -0.0174 459 ASN A ND2 
2064 N N   . ARG A 284 ? 0.3063 0.8887 0.2095 -0.0237 0.0608  0.0173  460 ARG A N   
2065 C CA  . ARG A 284 ? 0.3058 0.9027 0.1959 -0.0232 0.0550  0.0277  460 ARG A CA  
2066 C C   . ARG A 284 ? 0.3023 0.8860 0.1980 -0.0194 0.0504  0.0470  460 ARG A C   
2067 O O   . ARG A 284 ? 0.3040 0.8990 0.1901 -0.0174 0.0484  0.0618  460 ARG A O   
2068 C CB  . ARG A 284 ? 0.3045 0.9088 0.1891 -0.0247 0.0494  0.0143  460 ARG A CB  
2069 C CG  . ARG A 284 ? 0.2923 0.8755 0.1888 -0.0233 0.0438  0.0093  460 ARG A CG  
2070 C CD  . ARG A 284 ? 0.2861 0.8691 0.1819 -0.0199 0.0353  0.0224  460 ARG A CD  
2071 N NE  . ARG A 284 ? 0.2749 0.8372 0.1828 -0.0187 0.0310  0.0174  460 ARG A NE  
2072 C CZ  . ARG A 284 ? 0.2793 0.8366 0.1905 -0.0152 0.0243  0.0268  460 ARG A CZ  
2073 N NH1 . ARG A 284 ? 0.2858 0.8554 0.1904 -0.0113 0.0209  0.0426  460 ARG A NH1 
2074 N NH2 . ARG A 284 ? 0.2739 0.8139 0.1952 -0.0148 0.0213  0.0210  460 ARG A NH2 
2075 N N   . TRP A 285 ? 0.2990 0.8586 0.2101 -0.0180 0.0493  0.0469  461 TRP A N   
2076 C CA  . TRP A 285 ? 0.3015 0.8450 0.2200 -0.0152 0.0463  0.0626  461 TRP A CA  
2077 C C   . TRP A 285 ? 0.3191 0.8653 0.2356 -0.0161 0.0520  0.0788  461 TRP A C   
2078 O O   . TRP A 285 ? 0.3304 0.8683 0.2474 -0.0135 0.0501  0.0943  461 TRP A O   
2079 C CB  . TRP A 285 ? 0.2877 0.8078 0.2228 -0.0148 0.0453  0.0570  461 TRP A CB  
2080 C CG  . TRP A 285 ? 0.2891 0.8000 0.2285 -0.0135 0.0398  0.0452  461 TRP A CG  
2081 C CD1 . TRP A 285 ? 0.2925 0.8134 0.2245 -0.0142 0.0371  0.0345  461 TRP A CD1 
2082 C CD2 . TRP A 285 ? 0.2837 0.7739 0.2361 -0.0120 0.0370  0.0423  461 TRP A CD2 
2083 N NE1 . TRP A 285 ? 0.2805 0.7867 0.2204 -0.0134 0.0334  0.0263  461 TRP A NE1 
2084 C CE2 . TRP A 285 ? 0.2837 0.7714 0.2355 -0.0115 0.0332  0.0313  461 TRP A CE2 
2085 C CE3 . TRP A 285 ? 0.2817 0.7567 0.2458 -0.0117 0.0376  0.0477  461 TRP A CE3 
2086 C CZ2 . TRP A 285 ? 0.2793 0.7491 0.2409 -0.0099 0.0301  0.0270  461 TRP A CZ2 
2087 C CZ3 . TRP A 285 ? 0.2800 0.7392 0.2536 -0.0101 0.0339  0.0424  461 TRP A CZ3 
2088 C CH2 . TRP A 285 ? 0.2703 0.7268 0.2420 -0.0088 0.0303  0.0329  461 TRP A CH2 
2089 N N   . PHE A 286 ? 0.3272 0.8835 0.2424 -0.0197 0.0597  0.0753  462 PHE A N   
2090 C CA  . PHE A 286 ? 0.3449 0.9042 0.2587 -0.0218 0.0665  0.0907  462 PHE A CA  
2091 C C   . PHE A 286 ? 0.3707 0.9494 0.2664 -0.0206 0.0676  0.1041  462 PHE A C   
2092 O O   . PHE A 286 ? 0.3871 0.9668 0.2804 -0.0221 0.0736  0.1195  462 PHE A O   
2093 C CB  . PHE A 286 ? 0.3326 0.8967 0.2537 -0.0262 0.0751  0.0833  462 PHE A CB  
2094 C CG  . PHE A 286 ? 0.3030 0.8509 0.2419 -0.0263 0.0739  0.0724  462 PHE A CG  
2095 C CD1 . PHE A 286 ? 0.2926 0.8204 0.2442 -0.0266 0.0712  0.0798  462 PHE A CD1 
2096 C CD2 . PHE A 286 ? 0.2894 0.8415 0.2318 -0.0254 0.0749  0.0546  462 PHE A CD2 
2097 C CE1 . PHE A 286 ? 0.2709 0.7864 0.2377 -0.0262 0.0691  0.0702  462 PHE A CE1 
2098 C CE2 . PHE A 286 ? 0.2888 0.8265 0.2470 -0.0239 0.0731  0.0463  462 PHE A CE2 
2099 C CZ  . PHE A 286 ? 0.2721 0.7932 0.2420 -0.0244 0.0698  0.0544  462 PHE A CZ  
2100 N N   . SER A 287 ? 0.4082 1.0032 0.2913 -0.0182 0.0620  0.0989  463 SER A N   
2101 C CA  . SER A 287 ? 0.4353 1.0502 0.3010 -0.0152 0.0605  0.1140  463 SER A CA  
2102 C C   . SER A 287 ? 0.4548 1.0550 0.3239 -0.0090 0.0549  0.1314  463 SER A C   
2103 O O   . SER A 287 ? 0.4949 1.1050 0.3531 -0.0050 0.0554  0.1503  463 SER A O   
2104 C CB  . SER A 287 ? 0.4395 1.0800 0.2914 -0.0152 0.0556  0.1009  463 SER A CB  
2105 O OG  . SER A 287 ? 0.4404 1.0917 0.2900 -0.0205 0.0610  0.0819  463 SER A OG  
2106 N N   . ASP A 288 ? 0.4164 0.9940 0.3002 -0.0075 0.0500  0.1253  464 ASP A N   
2107 C CA  . ASP A 288 ? 0.4196 0.9831 0.3079 -0.0011 0.0443  0.1376  464 ASP A CA  
2108 C C   . ASP A 288 ? 0.4482 0.9819 0.3515 -0.0019 0.0483  0.1457  464 ASP A C   
2109 O O   . ASP A 288 ? 0.4372 0.9572 0.3527 -0.0063 0.0496  0.1335  464 ASP A O   
2110 C CB  . ASP A 288 ? 0.3815 0.9443 0.2743 0.0006  0.0360  0.1229  464 ASP A CB  
2111 C CG  . ASP A 288 ? 0.3850 0.9390 0.2814 0.0081  0.0298  0.1342  464 ASP A CG  
2112 O OD1 . ASP A 288 ? 0.3923 0.9664 0.2782 0.0134  0.0254  0.1425  464 ASP A OD1 
2113 O OD2 . ASP A 288 ? 0.3596 0.8886 0.2695 0.0091  0.0292  0.1342  464 ASP A OD2 
2114 N N   . PRO A 289 ? 0.5099 1.0335 0.4125 0.0025  0.0502  0.1662  465 PRO A N   
2115 C CA  . PRO A 289 ? 0.5096 1.0050 0.4258 0.0001  0.0557  0.1739  465 PRO A CA  
2116 C C   . PRO A 289 ? 0.4851 0.9573 0.4161 0.0014  0.0508  0.1654  465 PRO A C   
2117 O O   . PRO A 289 ? 0.4448 0.8966 0.3886 -0.0035 0.0549  0.1636  465 PRO A O   
2118 C CB  . PRO A 289 ? 0.5574 1.0494 0.4666 0.0059  0.0592  0.1985  465 PRO A CB  
2119 C CG  . PRO A 289 ? 0.5619 1.0734 0.4597 0.0149  0.0510  0.2020  465 PRO A CG  
2120 C CD  . PRO A 289 ? 0.5444 1.0821 0.4342 0.0106  0.0474  0.1834  465 PRO A CD  
2121 N N   . THR A 290 ? 0.4566 0.9336 0.3859 0.0074  0.0425  0.1603  466 THR A N   
2122 C CA  . THR A 290 ? 0.4251 0.8844 0.3667 0.0082  0.0377  0.1498  466 THR A CA  
2123 C C   . THR A 290 ? 0.4024 0.8613 0.3506 0.0017  0.0370  0.1300  466 THR A C   
2124 O O   . THR A 290 ? 0.3799 0.8206 0.3403 -0.0018 0.0387  0.1248  466 THR A O   
2125 C CB  . THR A 290 ? 0.4141 0.8817 0.3522 0.0160  0.0296  0.1494  466 THR A CB  
2126 O OG1 . THR A 290 ? 0.4302 0.9014 0.3620 0.0238  0.0301  0.1690  466 THR A OG1 
2127 C CG2 . THR A 290 ? 0.3884 0.8365 0.3389 0.0172  0.0260  0.1412  466 THR A CG2 
2128 N N   . LEU A 291 ? 0.3662 0.8449 0.3066 0.0005  0.0347  0.1187  467 LEU A N   
2129 C CA  . LEU A 291 ? 0.3465 0.8241 0.2930 -0.0042 0.0348  0.1008  467 LEU A CA  
2130 C C   . LEU A 291 ? 0.3539 0.8275 0.3069 -0.0098 0.0420  0.0998  467 LEU A C   
2131 O O   . LEU A 291 ? 0.3524 0.8186 0.3154 -0.0123 0.0422  0.0884  467 LEU A O   
2132 C CB  . LEU A 291 ? 0.3477 0.8458 0.2845 -0.0049 0.0326  0.0888  467 LEU A CB  
2133 C CG  . LEU A 291 ? 0.3463 0.8489 0.2807 -0.0016 0.0252  0.0835  467 LEU A CG  
2134 C CD1 . LEU A 291 ? 0.3647 0.8916 0.2874 -0.0037 0.0241  0.0736  467 LEU A CD1 
2135 C CD2 . LEU A 291 ? 0.3290 0.8139 0.2749 -0.0022 0.0226  0.0721  467 LEU A CD2 
2136 N N   . THR A 292 ? 0.3806 0.8604 0.3284 -0.0116 0.0481  0.1121  468 THR A N   
2137 C CA  . THR A 292 ? 0.3962 0.8729 0.3520 -0.0177 0.0556  0.1127  468 THR A CA  
2138 C C   . THR A 292 ? 0.4083 0.8616 0.3791 -0.0199 0.0558  0.1147  468 THR A C   
2139 O O   . THR A 292 ? 0.3960 0.8458 0.3783 -0.0242 0.0574  0.1055  468 THR A O   
2140 C CB  . THR A 292 ? 0.4030 0.8909 0.3494 -0.0197 0.0630  0.1273  468 THR A CB  
2141 O OG1 . THR A 292 ? 0.3797 0.8917 0.3109 -0.0181 0.0626  0.1243  468 THR A OG1 
2142 C CG2 . THR A 292 ? 0.4065 0.8931 0.3626 -0.0272 0.0713  0.1268  468 THR A CG2 
2143 N N   . SER A 293 ? 0.3901 0.8290 0.3609 -0.0166 0.0543  0.1264  469 SER A N   
2144 C CA  . SER A 293 ? 0.4136 0.8295 0.3974 -0.0186 0.0547  0.1275  469 SER A CA  
2145 C C   . SER A 293 ? 0.3894 0.7978 0.3815 -0.0175 0.0479  0.1126  469 SER A C   
2146 O O   . SER A 293 ? 0.4443 0.8408 0.4483 -0.0220 0.0488  0.1076  469 SER A O   
2147 C CB  . SER A 293 ? 0.4198 0.8214 0.4010 -0.0137 0.0553  0.1432  469 SER A CB  
2148 O OG  . SER A 293 ? 0.4191 0.8198 0.3970 -0.0165 0.0637  0.1585  469 SER A OG  
2149 N N   . LEU A 294 ? 0.3605 0.7766 0.3464 -0.0123 0.0416  0.1057  470 LEU A N   
2150 C CA  . LEU A 294 ? 0.3437 0.7540 0.3361 -0.0114 0.0360  0.0922  470 LEU A CA  
2151 C C   . LEU A 294 ? 0.3238 0.7421 0.3209 -0.0149 0.0372  0.0801  470 LEU A C   
2152 O O   . LEU A 294 ? 0.3401 0.7513 0.3457 -0.0153 0.0345  0.0716  470 LEU A O   
2153 C CB  . LEU A 294 ? 0.3375 0.7534 0.3225 -0.0056 0.0297  0.0884  470 LEU A CB  
2154 C CG  . LEU A 294 ? 0.3411 0.7511 0.3231 0.0001  0.0268  0.0984  470 LEU A CG  
2155 C CD1 . LEU A 294 ? 0.3640 0.7888 0.3377 0.0043  0.0215  0.0944  470 LEU A CD1 
2156 C CD2 . LEU A 294 ? 0.3308 0.7206 0.3229 0.0010  0.0252  0.0968  470 LEU A CD2 
2157 N N   . ALA A 295 ? 0.3310 0.7651 0.3225 -0.0164 0.0412  0.0793  471 ALA A N   
2158 C CA  . ALA A 295 ? 0.3217 0.7639 0.3189 -0.0186 0.0436  0.0686  471 ALA A CA  
2159 C C   . ALA A 295 ? 0.3217 0.7587 0.3324 -0.0236 0.0468  0.0693  471 ALA A C   
2160 O O   . ALA A 295 ? 0.2888 0.7247 0.3087 -0.0235 0.0449  0.0605  471 ALA A O   
2161 C CB  . ALA A 295 ? 0.3375 0.7981 0.3258 -0.0194 0.0485  0.0677  471 ALA A CB  
2162 N N   . LYS A 296 ? 0.3370 0.7713 0.3488 -0.0281 0.0518  0.0802  472 LYS A N   
2163 C CA  . LYS A 296 ? 0.3508 0.7792 0.3761 -0.0347 0.0551  0.0808  472 LYS A CA  
2164 C C   . LYS A 296 ? 0.3345 0.7485 0.3682 -0.0342 0.0494  0.0750  472 LYS A C   
2165 O O   . LYS A 296 ? 0.3051 0.7218 0.3502 -0.0375 0.0487  0.0675  472 LYS A O   
2166 C CB  . LYS A 296 ? 0.4096 0.8307 0.4337 -0.0395 0.0615  0.0949  472 LYS A CB  
2167 C CG  . LYS A 296 ? 0.4491 0.8638 0.4880 -0.0486 0.0660  0.0945  472 LYS A CG  
2168 C CD  . LYS A 296 ? 0.5196 0.9287 0.5578 -0.0548 0.0751  0.1085  472 LYS A CD  
2169 C CE  . LYS A 296 ? 0.5438 0.9561 0.5972 -0.0660 0.0814  0.1055  472 LYS A CE  
2170 N NZ  . LYS A 296 ? 0.6150 1.0183 0.6684 -0.0732 0.0915  0.1198  472 LYS A NZ  
2171 N N   . LEU A 297 ? 0.3510 0.7520 0.3789 -0.0299 0.0453  0.0789  473 LEU A N   
2172 C CA  . LEU A 297 ? 0.3437 0.7300 0.3774 -0.0289 0.0404  0.0742  473 LEU A CA  
2173 C C   . LEU A 297 ? 0.3211 0.7124 0.3581 -0.0261 0.0347  0.0620  473 LEU A C   
2174 O O   . LEU A 297 ? 0.3573 0.7452 0.4035 -0.0288 0.0327  0.0557  473 LEU A O   
2175 C CB  . LEU A 297 ? 0.3533 0.7285 0.3788 -0.0231 0.0377  0.0811  473 LEU A CB  
2176 C CG  . LEU A 297 ? 0.3894 0.7455 0.4203 -0.0229 0.0363  0.0816  473 LEU A CG  
2177 C CD1 . LEU A 297 ? 0.4102 0.7544 0.4491 -0.0301 0.0429  0.0872  473 LEU A CD1 
2178 C CD2 . LEU A 297 ? 0.4268 0.7775 0.4495 -0.0150 0.0337  0.0887  473 LEU A CD2 
2179 N N   . MET A 298 ? 0.2961 0.6955 0.3253 -0.0208 0.0325  0.0585  474 MET A N   
2180 C CA  . MET A 298 ? 0.2817 0.6836 0.3131 -0.0173 0.0283  0.0485  474 MET A CA  
2181 C C   . MET A 298 ? 0.2682 0.6810 0.3089 -0.0192 0.0302  0.0429  474 MET A C   
2182 O O   . MET A 298 ? 0.2485 0.6614 0.2949 -0.0170 0.0267  0.0366  474 MET A O   
2183 C CB  . MET A 298 ? 0.2799 0.6857 0.3016 -0.0123 0.0266  0.0454  474 MET A CB  
2184 C CG  . MET A 298 ? 0.2988 0.7182 0.3149 -0.0126 0.0311  0.0450  474 MET A CG  
2185 S SD  . MET A 298 ? 0.2878 0.7117 0.2916 -0.0090 0.0294  0.0406  474 MET A SD  
2186 C CE  . MET A 298 ? 0.3059 0.7253 0.3025 -0.0080 0.0262  0.0507  474 MET A CE  
2187 N N   . LYS A 299 ? 0.2675 0.6909 0.3101 -0.0228 0.0360  0.0458  475 LYS A N   
2188 C CA  . LYS A 299 ? 0.2574 0.6941 0.3111 -0.0251 0.0386  0.0413  475 LYS A CA  
2189 C C   . LYS A 299 ? 0.2412 0.6763 0.3072 -0.0309 0.0373  0.0402  475 LYS A C   
2190 O O   . LYS A 299 ? 0.2211 0.6672 0.2971 -0.0306 0.0359  0.0342  475 LYS A O   
2191 C CB  . LYS A 299 ? 0.2745 0.7247 0.3269 -0.0281 0.0462  0.0449  475 LYS A CB  
2192 C CG  . LYS A 299 ? 0.2974 0.7551 0.3402 -0.0225 0.0479  0.0412  475 LYS A CG  
2193 C CD  . LYS A 299 ? 0.3357 0.8109 0.3799 -0.0248 0.0556  0.0412  475 LYS A CD  
2194 C CE  . LYS A 299 ? 0.3542 0.8366 0.3905 -0.0192 0.0576  0.0339  475 LYS A CE  
2195 N NZ  . LYS A 299 ? 0.3817 0.8808 0.4146 -0.0217 0.0658  0.0349  475 LYS A NZ  
2196 N N   . GLU A 300 ? 0.2380 0.6603 0.3037 -0.0363 0.0382  0.0457  476 GLU A N   
2197 C CA  . GLU A 300 ? 0.2433 0.6620 0.3199 -0.0428 0.0372  0.0427  476 GLU A CA  
2198 C C   . GLU A 300 ? 0.2501 0.6602 0.3262 -0.0391 0.0298  0.0366  476 GLU A C   
2199 O O   . GLU A 300 ? 0.2542 0.6612 0.3378 -0.0446 0.0284  0.0326  476 GLU A O   
2200 C CB  . GLU A 300 ? 0.2737 0.6790 0.3505 -0.0500 0.0424  0.0504  476 GLU A CB  
2201 C CG  . GLU A 300 ? 0.3116 0.7256 0.3905 -0.0559 0.0507  0.0571  476 GLU A CG  
2202 C CD  . GLU A 300 ? 0.3622 0.7584 0.4383 -0.0607 0.0563  0.0676  476 GLU A CD  
2203 O OE1 . GLU A 300 ? 0.4133 0.7982 0.4779 -0.0542 0.0551  0.0748  476 GLU A OE1 
2204 O OE2 . GLU A 300 ? 0.3849 0.7781 0.4710 -0.0707 0.0618  0.0685  476 GLU A OE2 
2205 N N   . CYS A 301 ? 0.2420 0.6481 0.3088 -0.0307 0.0258  0.0358  477 CYS A N   
2206 C CA  . CYS A 301 ? 0.2495 0.6519 0.3152 -0.0261 0.0194  0.0300  477 CYS A CA  
2207 C C   . CYS A 301 ? 0.2522 0.6691 0.3222 -0.0211 0.0170  0.0247  477 CYS A C   
2208 O O   . CYS A 301 ? 0.2604 0.6765 0.3304 -0.0174 0.0119  0.0208  477 CYS A O   
2209 C CB  . CYS A 301 ? 0.2327 0.6235 0.2870 -0.0200 0.0171  0.0323  477 CYS A CB  
2210 S SG  . CYS A 301 ? 0.2702 0.6439 0.3200 -0.0222 0.0187  0.0390  477 CYS A SG  
2211 N N   . TRP A 302 ? 0.2367 0.6670 0.3103 -0.0204 0.0209  0.0249  478 TRP A N   
2212 C CA  . TRP A 302 ? 0.2271 0.6691 0.3042 -0.0131 0.0197  0.0209  478 TRP A CA  
2213 C C   . TRP A 302 ? 0.2362 0.6984 0.3273 -0.0153 0.0207  0.0182  478 TRP A C   
2214 O O   . TRP A 302 ? 0.2204 0.6949 0.3160 -0.0085 0.0217  0.0161  478 TRP A O   
2215 C CB  . TRP A 302 ? 0.2350 0.6771 0.3049 -0.0080 0.0238  0.0214  478 TRP A CB  
2216 C CG  . TRP A 302 ? 0.2300 0.6569 0.2870 -0.0054 0.0226  0.0226  478 TRP A CG  
2217 C CD1 . TRP A 302 ? 0.2375 0.6525 0.2898 -0.0034 0.0179  0.0222  478 TRP A CD1 
2218 C CD2 . TRP A 302 ? 0.2228 0.6489 0.2707 -0.0048 0.0265  0.0234  478 TRP A CD2 
2219 N NE1 . TRP A 302 ? 0.2529 0.6596 0.2948 -0.0019 0.0184  0.0229  478 TRP A NE1 
2220 C CE2 . TRP A 302 ? 0.2328 0.6467 0.2717 -0.0028 0.0234  0.0234  478 TRP A CE2 
2221 C CE3 . TRP A 302 ? 0.2211 0.6576 0.2675 -0.0061 0.0325  0.0237  478 TRP A CE3 
2222 C CZ2 . TRP A 302 ? 0.2188 0.6318 0.2476 -0.0025 0.0252  0.0234  478 TRP A CZ2 
2223 C CZ3 . TRP A 302 ? 0.2216 0.6565 0.2565 -0.0055 0.0345  0.0236  478 TRP A CZ3 
2224 C CH2 . TRP A 302 ? 0.2328 0.6565 0.2593 -0.0038 0.0305  0.0232  478 TRP A CH2 
2225 N N   . TYR A 303 ? 0.2419 0.7082 0.3408 -0.0245 0.0210  0.0178  479 TYR A N   
2226 C CA  . TYR A 303 ? 0.2687 0.7568 0.3822 -0.0276 0.0207  0.0140  479 TYR A CA  
2227 C C   . TYR A 303 ? 0.2923 0.7900 0.4088 -0.0192 0.0139  0.0103  479 TYR A C   
2228 O O   . TYR A 303 ? 0.2803 0.7678 0.3909 -0.0175 0.0084  0.0091  479 TYR A O   
2229 C CB  . TYR A 303 ? 0.2787 0.7672 0.4000 -0.0407 0.0220  0.0126  479 TYR A CB  
2230 C CG  . TYR A 303 ? 0.3016 0.7843 0.4219 -0.0483 0.0303  0.0183  479 TYR A CG  
2231 C CD1 . TYR A 303 ? 0.3228 0.8212 0.4478 -0.0483 0.0364  0.0202  479 TYR A CD1 
2232 C CD2 . TYR A 303 ? 0.3171 0.7791 0.4317 -0.0547 0.0325  0.0223  479 TYR A CD2 
2233 C CE1 . TYR A 303 ? 0.3482 0.8424 0.4708 -0.0551 0.0444  0.0265  479 TYR A CE1 
2234 C CE2 . TYR A 303 ? 0.3586 0.8150 0.4716 -0.0607 0.0404  0.0295  479 TYR A CE2 
2235 C CZ  . TYR A 303 ? 0.3602 0.8331 0.4765 -0.0613 0.0462  0.0319  479 TYR A CZ  
2236 O OH  . TYR A 303 ? 0.3825 0.8505 0.4955 -0.0671 0.0543  0.0402  479 TYR A OH  
2237 N N   . GLN A 304 ? 0.3042 0.8213 0.4292 -0.0127 0.0149  0.0092  480 GLN A N   
2238 C CA  . GLN A 304 ? 0.3272 0.8588 0.4579 -0.0039 0.0090  0.0074  480 GLN A CA  
2239 C C   . GLN A 304 ? 0.3051 0.8471 0.4422 -0.0117 0.0031  0.0033  480 GLN A C   
2240 O O   . GLN A 304 ? 0.3158 0.8596 0.4500 -0.0066 -0.0036 0.0024  480 GLN A O   
2241 C CB  . GLN A 304 ? 0.3606 0.9161 0.5039 0.0028  0.0121  0.0070  480 GLN A CB  
2242 C CG  . GLN A 304 ? 0.4002 0.9684 0.5479 0.0162  0.0072  0.0077  480 GLN A CG  
2243 C CD  . GLN A 304 ? 0.4621 1.0140 0.6009 0.0295  0.0101  0.0109  480 GLN A CD  
2244 O OE1 . GLN A 304 ? 0.4136 0.9436 0.5410 0.0283  0.0146  0.0114  480 GLN A OE1 
2245 N NE2 . GLN A 304 ? 0.4574 1.0206 0.6019 0.0425  0.0076  0.0131  480 GLN A NE2 
2246 N N   . ASN A 305 ? 0.2923 0.8411 0.4378 -0.0245 0.0061  0.0006  481 ASN A N   
2247 C CA  . ASN A 305 ? 0.2964 0.8526 0.4480 -0.0348 0.0019  -0.0053 481 ASN A CA  
2248 C C   . ASN A 305 ? 0.2955 0.8233 0.4346 -0.0395 0.0012  -0.0052 481 ASN A C   
2249 O O   . ASN A 305 ? 0.2904 0.8001 0.4255 -0.0457 0.0072  -0.0021 481 ASN A O   
2250 C CB  . ASN A 305 ? 0.3028 0.8741 0.4687 -0.0483 0.0068  -0.0086 481 ASN A CB  
2251 C CG  . ASN A 305 ? 0.3313 0.9074 0.5034 -0.0612 0.0035  -0.0166 481 ASN A CG  
2252 O OD1 . ASN A 305 ? 0.3282 0.9085 0.4972 -0.0584 -0.0041 -0.0209 481 ASN A OD1 
2253 N ND2 . ASN A 305 ? 0.3634 0.9385 0.5440 -0.0759 0.0099  -0.0189 481 ASN A ND2 
2254 N N   . PRO A 306 ? 0.2756 0.8006 0.4087 -0.0362 -0.0056 -0.0082 482 PRO A N   
2255 C CA  . PRO A 306 ? 0.2716 0.7713 0.3939 -0.0398 -0.0060 -0.0090 482 PRO A CA  
2256 C C   . PRO A 306 ? 0.2734 0.7638 0.4008 -0.0543 -0.0015 -0.0129 482 PRO A C   
2257 O O   . PRO A 306 ? 0.2640 0.7295 0.3836 -0.0562 0.0021  -0.0098 482 PRO A O   
2258 C CB  . PRO A 306 ? 0.2810 0.7892 0.3998 -0.0360 -0.0140 -0.0136 482 PRO A CB  
2259 C CG  . PRO A 306 ? 0.2769 0.8069 0.3996 -0.0248 -0.0175 -0.0106 482 PRO A CG  
2260 C CD  . PRO A 306 ? 0.2816 0.8287 0.4180 -0.0290 -0.0131 -0.0107 482 PRO A CD  
2261 N N   . SER A 307 ? 0.2709 0.7810 0.4121 -0.0645 -0.0012 -0.0194 483 SER A N   
2262 C CA  . SER A 307 ? 0.2942 0.7927 0.4407 -0.0794 0.0037  -0.0242 483 SER A CA  
2263 C C   . SER A 307 ? 0.2957 0.7775 0.4424 -0.0839 0.0132  -0.0163 483 SER A C   
2264 O O   . SER A 307 ? 0.3110 0.7734 0.4586 -0.0937 0.0188  -0.0169 483 SER A O   
2265 C CB  . SER A 307 ? 0.3141 0.8386 0.4758 -0.0911 0.0019  -0.0347 483 SER A CB  
2266 O OG  . SER A 307 ? 0.3539 0.8626 0.5173 -0.1042 0.0047  -0.0424 483 SER A OG  
2267 N N   . ALA A 308 ? 0.2673 0.7562 0.4128 -0.0764 0.0156  -0.0087 484 ALA A N   
2268 C CA  . ALA A 308 ? 0.2755 0.7521 0.4190 -0.0794 0.0243  -0.0003 484 ALA A CA  
2269 C C   . ALA A 308 ? 0.2714 0.7206 0.3988 -0.0719 0.0253  0.0075  484 ALA A C   
2270 O O   . ALA A 308 ? 0.2685 0.7041 0.3923 -0.0747 0.0320  0.0151  484 ALA A O   
2271 C CB  . ALA A 308 ? 0.2793 0.7774 0.4282 -0.0752 0.0271  0.0030  484 ALA A CB  
2272 N N   . ARG A 309 ? 0.2627 0.7050 0.3809 -0.0628 0.0188  0.0060  485 ARG A N   
2273 C CA  . ARG A 309 ? 0.2570 0.6768 0.3615 -0.0561 0.0194  0.0125  485 ARG A CA  
2274 C C   . ARG A 309 ? 0.2681 0.6654 0.3711 -0.0625 0.0230  0.0139  485 ARG A C   
2275 O O   . ARG A 309 ? 0.2780 0.6729 0.3879 -0.0706 0.0228  0.0066  485 ARG A O   
2276 C CB  . ARG A 309 ? 0.2328 0.6515 0.3290 -0.0460 0.0124  0.0102  485 ARG A CB  
2277 C CG  . ARG A 309 ? 0.2278 0.6622 0.3236 -0.0376 0.0107  0.0112  485 ARG A CG  
2278 C CD  . ARG A 309 ? 0.2180 0.6528 0.3080 -0.0290 0.0044  0.0087  485 ARG A CD  
2279 N NE  . ARG A 309 ? 0.2163 0.6679 0.3096 -0.0214 0.0028  0.0085  485 ARG A NE  
2280 C CZ  . ARG A 309 ? 0.2267 0.6862 0.3196 -0.0150 -0.0027 0.0063  485 ARG A CZ  
2281 N NH1 . ARG A 309 ? 0.2356 0.6892 0.3242 -0.0165 -0.0072 0.0032  485 ARG A NH1 
2282 N NH2 . ARG A 309 ? 0.2222 0.6952 0.3186 -0.0065 -0.0034 0.0075  485 ARG A NH2 
2283 N N   . LEU A 310 ? 0.2601 0.6417 0.3543 -0.0585 0.0266  0.0231  486 LEU A N   
2284 C CA  . LEU A 310 ? 0.2890 0.6472 0.3812 -0.0615 0.0305  0.0267  486 LEU A CA  
2285 C C   . LEU A 310 ? 0.2781 0.6268 0.3665 -0.0577 0.0251  0.0200  486 LEU A C   
2286 O O   . LEU A 310 ? 0.2612 0.6183 0.3441 -0.0503 0.0190  0.0171  486 LEU A O   
2287 C CB  . LEU A 310 ? 0.2889 0.6363 0.3711 -0.0552 0.0339  0.0389  486 LEU A CB  
2288 C CG  . LEU A 310 ? 0.2983 0.6549 0.3807 -0.0575 0.0398  0.0471  486 LEU A CG  
2289 C CD1 . LEU A 310 ? 0.2941 0.6467 0.3637 -0.0486 0.0400  0.0571  486 LEU A CD1 
2290 C CD2 . LEU A 310 ? 0.3214 0.6691 0.4123 -0.0686 0.0481  0.0508  486 LEU A CD2 
2291 N N   . THR A 311 ? 0.2817 0.6122 0.3729 -0.0628 0.0285  0.0178  487 THR A N   
2292 C CA  . THR A 311 ? 0.2874 0.6061 0.3743 -0.0589 0.0252  0.0121  487 THR A CA  
2293 C C   . THR A 311 ? 0.3029 0.6071 0.3804 -0.0489 0.0260  0.0216  487 THR A C   
2294 O O   . THR A 311 ? 0.2967 0.5952 0.3720 -0.0470 0.0305  0.0328  487 THR A O   
2295 C CB  . THR A 311 ? 0.3078 0.6110 0.4024 -0.0686 0.0301  0.0051  487 THR A CB  
2296 O OG1 . THR A 311 ? 0.3118 0.5964 0.4089 -0.0714 0.0388  0.0148  487 THR A OG1 
2297 C CG2 . THR A 311 ? 0.3143 0.6342 0.4194 -0.0801 0.0290  -0.0063 487 THR A CG2 
2298 N N   . ALA A 312 ? 0.2999 0.6003 0.3718 -0.0425 0.0216  0.0173  488 ALA A N   
2299 C CA  . ALA A 312 ? 0.3142 0.6045 0.3784 -0.0328 0.0216  0.0248  488 ALA A CA  
2300 C C   . ALA A 312 ? 0.3515 0.6222 0.4180 -0.0329 0.0287  0.0331  488 ALA A C   
2301 O O   . ALA A 312 ? 0.4133 0.6828 0.4751 -0.0269 0.0302  0.0447  488 ALA A O   
2302 C CB  . ALA A 312 ? 0.3107 0.5988 0.3709 -0.0281 0.0174  0.0173  488 ALA A CB  
2303 N N   . LEU A 313 ? 0.4055 0.6613 0.4793 -0.0396 0.0333  0.0272  489 LEU A N   
2304 C CA  . LEU A 313 ? 0.4514 0.6842 0.5292 -0.0403 0.0419  0.0350  489 LEU A CA  
2305 C C   . LEU A 313 ? 0.4758 0.7092 0.5543 -0.0429 0.0471  0.0481  489 LEU A C   
2306 O O   . LEU A 313 ? 0.5099 0.7307 0.5858 -0.0369 0.0518  0.0613  489 LEU A O   
2307 C CB  . LEU A 313 ? 0.5006 0.7182 0.5878 -0.0506 0.0471  0.0235  489 LEU A CB  
2308 C CG  . LEU A 313 ? 0.5550 0.7454 0.6444 -0.0463 0.0535  0.0245  489 LEU A CG  
2309 C CD1 . LEU A 313 ? 0.5787 0.7544 0.6780 -0.0591 0.0597  0.0110  489 LEU A CD1 
2310 C CD2 . LEU A 313 ? 0.5757 0.7512 0.6637 -0.0388 0.0597  0.0430  489 LEU A CD2 
2311 N N   . ARG A 314 ? 0.4504 0.6994 0.5326 -0.0514 0.0467  0.0449  490 ARG A N   
2312 C CA  . ARG A 314 ? 0.4318 0.6836 0.5146 -0.0547 0.0523  0.0566  490 ARG A CA  
2313 C C   . ARG A 314 ? 0.3916 0.6540 0.4632 -0.0438 0.0492  0.0681  490 ARG A C   
2314 O O   . ARG A 314 ? 0.4132 0.6689 0.4809 -0.0407 0.0542  0.0821  490 ARG A O   
2315 C CB  . ARG A 314 ? 0.4337 0.7042 0.5235 -0.0654 0.0520  0.0494  490 ARG A CB  
2316 C CG  . ARG A 314 ? 0.4524 0.7243 0.5451 -0.0716 0.0600  0.0599  490 ARG A CG  
2317 C CD  . ARG A 314 ? 0.5002 0.7500 0.6027 -0.0823 0.0700  0.0607  490 ARG A CD  
2318 N NE  . ARG A 314 ? 0.5344 0.7608 0.6322 -0.0768 0.0773  0.0765  490 ARG A NE  
2319 C CZ  . ARG A 314 ? 0.5829 0.7829 0.6878 -0.0831 0.0871  0.0798  490 ARG A CZ  
2320 N NH1 . ARG A 314 ? 0.6151 0.7950 0.7149 -0.0754 0.0935  0.0967  490 ARG A NH1 
2321 N NH2 . ARG A 314 ? 0.5896 0.7830 0.7068 -0.0971 0.0910  0.0664  490 ARG A NH2 
2322 N N   . ILE A 315 ? 0.3564 0.6361 0.4227 -0.0389 0.0412  0.0619  491 ILE A N   
2323 C CA  . ILE A 315 ? 0.3529 0.6439 0.4087 -0.0294 0.0372  0.0688  491 ILE A CA  
2324 C C   . ILE A 315 ? 0.3681 0.6472 0.4185 -0.0202 0.0378  0.0780  491 ILE A C   
2325 O O   . ILE A 315 ? 0.3533 0.6381 0.3967 -0.0149 0.0387  0.0893  491 ILE A O   
2326 C CB  . ILE A 315 ? 0.3254 0.6309 0.3779 -0.0259 0.0293  0.0587  491 ILE A CB  
2327 C CG1 . ILE A 315 ? 0.3157 0.6375 0.3729 -0.0322 0.0285  0.0522  491 ILE A CG1 
2328 C CG2 . ILE A 315 ? 0.3021 0.6156 0.3445 -0.0169 0.0257  0.0638  491 ILE A CG2 
2329 C CD1 . ILE A 315 ? 0.3019 0.6372 0.3559 -0.0280 0.0220  0.0445  491 ILE A CD1 
2330 N N   . LYS A 316 ? 0.4042 0.6690 0.4580 -0.0181 0.0374  0.0729  492 LYS A N   
2331 C CA  . LYS A 316 ? 0.4314 0.6832 0.4830 -0.0089 0.0392  0.0817  492 LYS A CA  
2332 C C   . LYS A 316 ? 0.4731 0.7110 0.5261 -0.0089 0.0475  0.0965  492 LYS A C   
2333 O O   . LYS A 316 ? 0.4570 0.6974 0.5038 0.0001  0.0478  0.1099  492 LYS A O   
2334 C CB  . LYS A 316 ? 0.4500 0.6869 0.5068 -0.0079 0.0392  0.0722  492 LYS A CB  
2335 C CG  . LYS A 316 ? 0.4761 0.7020 0.5317 0.0036  0.0407  0.0801  492 LYS A CG  
2336 C CD  . LYS A 316 ? 0.4862 0.6971 0.5474 0.0042  0.0420  0.0693  492 LYS A CD  
2337 C CE  . LYS A 316 ? 0.5158 0.7154 0.5778 0.0165  0.0447  0.0780  492 LYS A CE  
2338 N NZ  . LYS A 316 ? 0.5399 0.7264 0.6068 0.0181  0.0463  0.0663  492 LYS A NZ  
2339 N N   . LYS A 317 ? 0.4998 0.7238 0.5610 -0.0188 0.0544  0.0945  493 LYS A N   
2340 C CA  . LYS A 317 ? 0.5580 0.7662 0.6210 -0.0200 0.0638  0.1093  493 LYS A CA  
2341 C C   . LYS A 317 ? 0.5525 0.7779 0.6067 -0.0178 0.0640  0.1227  493 LYS A C   
2342 O O   . LYS A 317 ? 0.5636 0.7827 0.6132 -0.0108 0.0683  0.1395  493 LYS A O   
2343 C CB  . LYS A 317 ? 0.5939 0.7871 0.6680 -0.0341 0.0716  0.1028  493 LYS A CB  
2344 C CG  . LYS A 317 ? 0.6312 0.8014 0.7135 -0.0361 0.0746  0.0923  493 LYS A CG  
2345 C CD  . LYS A 317 ? 0.6527 0.8162 0.7461 -0.0525 0.0797  0.0799  493 LYS A CD  
2346 C CE  . LYS A 317 ? 0.6815 0.8183 0.7829 -0.0553 0.0852  0.0703  493 LYS A CE  
2347 N NZ  . LYS A 317 ? 0.6946 0.8305 0.8066 -0.0727 0.0884  0.0545  493 LYS A NZ  
2348 N N   . THR A 318 ? 0.5163 0.7641 0.5682 -0.0229 0.0594  0.1153  494 THR A N   
2349 C CA  . THR A 318 ? 0.5294 0.7963 0.5728 -0.0220 0.0597  0.1244  494 THR A CA  
2350 C C   . THR A 318 ? 0.5188 0.7983 0.5506 -0.0097 0.0541  0.1322  494 THR A C   
2351 O O   . THR A 318 ? 0.5167 0.8008 0.5407 -0.0052 0.0571  0.1473  494 THR A O   
2352 C CB  . THR A 318 ? 0.5393 0.8268 0.5845 -0.0295 0.0563  0.1122  494 THR A CB  
2353 O OG1 . THR A 318 ? 0.5441 0.8246 0.6011 -0.0414 0.0610  0.1049  494 THR A OG1 
2354 C CG2 . THR A 318 ? 0.5421 0.8494 0.5785 -0.0289 0.0576  0.1201  494 THR A CG2 
2355 N N   . LEU A 319 ? 0.4955 0.7815 0.5259 -0.0046 0.0463  0.1222  495 LEU A N   
2356 C CA  . LEU A 319 ? 0.4775 0.7775 0.4985 0.0056  0.0405  0.1269  495 LEU A CA  
2357 C C   . LEU A 319 ? 0.5149 0.8038 0.5343 0.0148  0.0438  0.1426  495 LEU A C   
2358 O O   . LEU A 319 ? 0.5605 0.8633 0.5709 0.0214  0.0425  0.1541  495 LEU A O   
2359 C CB  . LEU A 319 ? 0.4404 0.7458 0.4622 0.0082  0.0330  0.1132  495 LEU A CB  
2360 C CG  . LEU A 319 ? 0.4042 0.7237 0.4255 0.0020  0.0292  0.1000  495 LEU A CG  
2361 C CD1 . LEU A 319 ? 0.3658 0.6857 0.3890 0.0036  0.0234  0.0874  495 LEU A CD1 
2362 C CD2 . LEU A 319 ? 0.4044 0.7450 0.4163 0.0032  0.0277  0.1030  495 LEU A CD2 
2363 N N   . THR A 320 ? 0.5425 0.8066 0.5707 0.0149  0.0485  0.1433  496 THR A N   
2364 C CA  . THR A 320 ? 0.5763 0.8248 0.6052 0.0244  0.0533  0.1588  496 THR A CA  
2365 C C   . THR A 320 ? 0.6316 0.8790 0.6553 0.0251  0.0603  0.1780  496 THR A C   
2366 O O   . THR A 320 ? 0.6142 0.8593 0.6340 0.0364  0.0619  0.1945  496 THR A O   
2367 C CB  . THR A 320 ? 0.5862 0.8052 0.6267 0.0224  0.0589  0.1531  496 THR A CB  
2368 O OG1 . THR A 320 ? 0.5931 0.8158 0.6369 0.0217  0.0525  0.1357  496 THR A OG1 
2369 C CG2 . THR A 320 ? 0.6013 0.8030 0.6437 0.0349  0.0637  0.1681  496 THR A CG2 
2370 N N   . LYS A 321 ? 0.6498 0.8998 0.6735 0.0135  0.0645  0.1766  497 LYS A N   
2371 C CA  . LYS A 321 ? 0.6817 0.9322 0.6997 0.0124  0.0720  0.1945  497 LYS A CA  
2372 C C   . LYS A 321 ? 0.6746 0.9568 0.6791 0.0138  0.0678  0.1990  497 LYS A C   
2373 O O   . LYS A 321 ? 0.6709 0.9574 0.6677 0.0158  0.0731  0.2160  497 LYS A O   
2374 C CB  . LYS A 321 ? 0.7215 0.9545 0.7487 -0.0016 0.0816  0.1920  497 LYS A CB  
2375 C CG  . LYS A 321 ? 0.7940 0.9922 0.8304 -0.0012 0.0913  0.2003  497 LYS A CG  
2376 C CD  . LYS A 321 ? 0.8420 1.0235 0.8872 0.0022  0.0882  0.1872  497 LYS A CD  
2377 C CE  . LYS A 321 ? 0.8626 1.0215 0.9093 0.0153  0.0930  0.2016  497 LYS A CE  
2378 N NZ  . LYS A 321 ? 0.9072 1.0361 0.9600 0.0106  0.1068  0.2144  497 LYS A NZ  
2379 N N   . ILE A 322 ? 0.6634 0.9670 0.6647 0.0128  0.0591  0.1839  498 ILE A N   
2380 C CA  . ILE A 322 ? 0.6583 0.9918 0.6468 0.0142  0.0550  0.1853  498 ILE A CA  
2381 C C   . ILE A 322 ? 0.6637 1.0096 0.6423 0.0271  0.0510  0.1988  498 ILE A C   
2382 O O   . ILE A 322 ? 0.6375 0.9734 0.6204 0.0357  0.0484  0.2013  498 ILE A O   
2383 C CB  . ILE A 322 ? 0.6305 0.9803 0.6194 0.0096  0.0478  0.1649  498 ILE A CB  
2384 C CG1 . ILE A 322 ? 0.6374 0.9818 0.6349 -0.0022 0.0519  0.1542  498 ILE A CG1 
2385 C CG2 . ILE A 322 ? 0.6164 0.9956 0.5922 0.0118  0.0437  0.1644  498 ILE A CG2 
2386 C CD1 . ILE A 322 ? 0.6026 0.9559 0.6037 -0.0053 0.0456  0.1351  498 ILE A CD1 
2387 N N   . ASP A 323 ? 0.7070 1.0762 0.6727 0.0284  0.0510  0.2076  499 ASP A N   
2388 C CA  . ASP A 323 ? 0.7516 1.1425 0.7058 0.0395  0.0456  0.2183  499 ASP A CA  
2389 C C   . ASP A 323 ? 0.7596 1.1828 0.7034 0.0361  0.0396  0.2065  499 ASP A C   
2390 O O   . ASP A 323 ? 0.7247 1.1549 0.6660 0.0268  0.0426  0.1983  499 ASP A O   
2391 C CB  . ASP A 323 ? 0.7666 1.1564 0.7128 0.0453  0.0524  0.2433  499 ASP A CB  
2392 C CG  . ASP A 323 ? 0.7829 1.1410 0.7386 0.0521  0.0583  0.2572  499 ASP A CG  
2393 O OD1 . ASP A 323 ? 0.7576 1.1068 0.7212 0.0592  0.0538  0.2525  499 ASP A OD1 
2394 O OD2 . ASP A 323 ? 0.7783 1.1198 0.7339 0.0503  0.0682  0.2729  499 ASP A OD2 
2395 O OXT . ASP A 323 ? 0.7730 1.2161 0.7111 0.0425  0.0320  0.2044  499 ASP A OXT 
# 
