data_9DXU
# 
_entry.id   9DXU 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9DXU         pdb_00009dxu 10.2210/pdb9dxu/pdb 
WWPDB D_1000289035 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-06-04 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9DXU 
_pdbx_database_status.recvd_initial_deposition_date   2024-10-11 
_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              mark.white@sydney.edu.au 
_pdbx_contact_author.name_first         Mark 
_pdbx_contact_author.name_last          White 
_pdbx_contact_author.name_mi            D 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-1431-0339 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Jiramongkol, Y.' 1 ? 
'Patel, K.'       2 ? 
'White, M.D.'     3 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Nat Commun' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2041-1723 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            16 
_citation.language                  ? 
_citation.page_first                4761 
_citation.page_last                 4761 
_citation.title                     
'An mRNA-display derived cyclic peptide scaffold reveals the substrate binding interactions of an N-terminal cysteine oxidase.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1038/s41467-025-59960-3 
_citation.pdbx_database_id_PubMed   40404614 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Jiramongkol, Y.'    1  0000-0003-1824-4313 
primary 'Patel, K.'          2  0000-0003-3034-3840 
primary 'Johansen-Leete, J.' 3  ?                   
primary 'Maxwell, J.W.C.'    4  ?                   
primary 'Chang, Y.'          5  ?                   
primary 'Du, J.J.'           6  0000-0002-7750-4413 
primary 'Passioura, T.'      7  ?                   
primary 'Cook, K.M.'         8  0000-0002-0503-7166 
primary 'Payne, R.J.'        9  0000-0002-3618-9226 
primary 'White, M.D.'        10 0000-0002-1431-0339 
# 
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 '2-aminoethanethiol dioxygenase'         29841.811 1   1.13.11.19 ? ? ? 
2 polymer     syn CP6                                      1765.090  1   ?          ? ? ? 
3 non-polymer syn 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL 122.143   1   ?          ? ? ? 
4 non-polymer syn GLYCEROL                                 92.094    3   ?          ? ? ? 
5 non-polymer syn 'THIOCYANATE ION'                        58.082    10  ?          ? ? ? 
6 non-polymer syn 'COBALT (II) ION'                        58.933    1   ?          ? ? ? 
7 water       nat water                                    18.015    244 ?          ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Cysteamine dioxygenase' 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no  
;SMPRDNMASLIQRIARQASLTFRGSGGGRGASDRDAASGPEAPMQPGFPENLSKLKSLLTQLRAEDLNIAPRKATLQPLP
PNLPPVTYMHIYETDGFSLGVFLLKSGTSIPLHDHPGMHGMLKVLYGTVRISCMDKLDAGGGQRPRALPPEQQFEPPLQP
REREAVRPGVLRSRAEYTEASGPCILTPHRDNLHQIDAVEGPAAFLDILAPPYDPDDGRDCHYYRVLEPVRPKEASSSAS
DLPREVWLLETPQADDFWCEGEPYPGPKVFP
;
;SMPRDNMASLIQRIARQASLTFRGSGGGRGASDRDAASGPEAPMQPGFPENLSKLKSLLTQLRAEDLNIAPRKATLQPLP
PNLPPVTYMHIYETDGFSLGVFLLKSGTSIPLHDHPGMHGMLKVLYGTVRISCMDKLDAGGGQRPRALPPEQQFEPPLQP
REREAVRPGVLRSRAEYTEASGPCILTPHRDNLHQIDAVEGPAAFLDILAPPYDPDDGRDCHYYRVLEPVRPKEASSSAS
DLPREVWLLETPQADDFWCEGEPYPGPKVFP
;
A ? 
2 'polypeptide(L)' no yes '(ACE)YIVKTFWLGSHRQC(NH2)' XYIVKTFWLGSHRQCX B ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL TRS 
4 GLYCEROL                                 GOL 
5 'THIOCYANATE ION'                        SCN 
6 'COBALT (II) ION'                        CO  
7 water                                    HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   SER n 
1 2   MET n 
1 3   PRO n 
1 4   ARG n 
1 5   ASP n 
1 6   ASN n 
1 7   MET n 
1 8   ALA n 
1 9   SER n 
1 10  LEU n 
1 11  ILE n 
1 12  GLN n 
1 13  ARG n 
1 14  ILE n 
1 15  ALA n 
1 16  ARG n 
1 17  GLN n 
1 18  ALA n 
1 19  SER n 
1 20  LEU n 
1 21  THR n 
1 22  PHE n 
1 23  ARG n 
1 24  GLY n 
1 25  SER n 
1 26  GLY n 
1 27  GLY n 
1 28  GLY n 
1 29  ARG n 
1 30  GLY n 
1 31  ALA n 
1 32  SER n 
1 33  ASP n 
1 34  ARG n 
1 35  ASP n 
1 36  ALA n 
1 37  ALA n 
1 38  SER n 
1 39  GLY n 
1 40  PRO n 
1 41  GLU n 
1 42  ALA n 
1 43  PRO n 
1 44  MET n 
1 45  GLN n 
1 46  PRO n 
1 47  GLY n 
1 48  PHE n 
1 49  PRO n 
1 50  GLU n 
1 51  ASN n 
1 52  LEU n 
1 53  SER n 
1 54  LYS n 
1 55  LEU n 
1 56  LYS n 
1 57  SER n 
1 58  LEU n 
1 59  LEU n 
1 60  THR n 
1 61  GLN n 
1 62  LEU n 
1 63  ARG n 
1 64  ALA n 
1 65  GLU n 
1 66  ASP n 
1 67  LEU n 
1 68  ASN n 
1 69  ILE n 
1 70  ALA n 
1 71  PRO n 
1 72  ARG n 
1 73  LYS n 
1 74  ALA n 
1 75  THR n 
1 76  LEU n 
1 77  GLN n 
1 78  PRO n 
1 79  LEU n 
1 80  PRO n 
1 81  PRO n 
1 82  ASN n 
1 83  LEU n 
1 84  PRO n 
1 85  PRO n 
1 86  VAL n 
1 87  THR n 
1 88  TYR n 
1 89  MET n 
1 90  HIS n 
1 91  ILE n 
1 92  TYR n 
1 93  GLU n 
1 94  THR n 
1 95  ASP n 
1 96  GLY n 
1 97  PHE n 
1 98  SER n 
1 99  LEU n 
1 100 GLY n 
1 101 VAL n 
1 102 PHE n 
1 103 LEU n 
1 104 LEU n 
1 105 LYS n 
1 106 SER n 
1 107 GLY n 
1 108 THR n 
1 109 SER n 
1 110 ILE n 
1 111 PRO n 
1 112 LEU n 
1 113 HIS n 
1 114 ASP n 
1 115 HIS n 
1 116 PRO n 
1 117 GLY n 
1 118 MET n 
1 119 HIS n 
1 120 GLY n 
1 121 MET n 
1 122 LEU n 
1 123 LYS n 
1 124 VAL n 
1 125 LEU n 
1 126 TYR n 
1 127 GLY n 
1 128 THR n 
1 129 VAL n 
1 130 ARG n 
1 131 ILE n 
1 132 SER n 
1 133 CYS n 
1 134 MET n 
1 135 ASP n 
1 136 LYS n 
1 137 LEU n 
1 138 ASP n 
1 139 ALA n 
1 140 GLY n 
1 141 GLY n 
1 142 GLY n 
1 143 GLN n 
1 144 ARG n 
1 145 PRO n 
1 146 ARG n 
1 147 ALA n 
1 148 LEU n 
1 149 PRO n 
1 150 PRO n 
1 151 GLU n 
1 152 GLN n 
1 153 GLN n 
1 154 PHE n 
1 155 GLU n 
1 156 PRO n 
1 157 PRO n 
1 158 LEU n 
1 159 GLN n 
1 160 PRO n 
1 161 ARG n 
1 162 GLU n 
1 163 ARG n 
1 164 GLU n 
1 165 ALA n 
1 166 VAL n 
1 167 ARG n 
1 168 PRO n 
1 169 GLY n 
1 170 VAL n 
1 171 LEU n 
1 172 ARG n 
1 173 SER n 
1 174 ARG n 
1 175 ALA n 
1 176 GLU n 
1 177 TYR n 
1 178 THR n 
1 179 GLU n 
1 180 ALA n 
1 181 SER n 
1 182 GLY n 
1 183 PRO n 
1 184 CYS n 
1 185 ILE n 
1 186 LEU n 
1 187 THR n 
1 188 PRO n 
1 189 HIS n 
1 190 ARG n 
1 191 ASP n 
1 192 ASN n 
1 193 LEU n 
1 194 HIS n 
1 195 GLN n 
1 196 ILE n 
1 197 ASP n 
1 198 ALA n 
1 199 VAL n 
1 200 GLU n 
1 201 GLY n 
1 202 PRO n 
1 203 ALA n 
1 204 ALA n 
1 205 PHE n 
1 206 LEU n 
1 207 ASP n 
1 208 ILE n 
1 209 LEU n 
1 210 ALA n 
1 211 PRO n 
1 212 PRO n 
1 213 TYR n 
1 214 ASP n 
1 215 PRO n 
1 216 ASP n 
1 217 ASP n 
1 218 GLY n 
1 219 ARG n 
1 220 ASP n 
1 221 CYS n 
1 222 HIS n 
1 223 TYR n 
1 224 TYR n 
1 225 ARG n 
1 226 VAL n 
1 227 LEU n 
1 228 GLU n 
1 229 PRO n 
1 230 VAL n 
1 231 ARG n 
1 232 PRO n 
1 233 LYS n 
1 234 GLU n 
1 235 ALA n 
1 236 SER n 
1 237 SER n 
1 238 SER n 
1 239 ALA n 
1 240 SER n 
1 241 ASP n 
1 242 LEU n 
1 243 PRO n 
1 244 ARG n 
1 245 GLU n 
1 246 VAL n 
1 247 TRP n 
1 248 LEU n 
1 249 LEU n 
1 250 GLU n 
1 251 THR n 
1 252 PRO n 
1 253 GLN n 
1 254 ALA n 
1 255 ASP n 
1 256 ASP n 
1 257 PHE n 
1 258 TRP n 
1 259 CYS n 
1 260 GLU n 
1 261 GLY n 
1 262 GLU n 
1 263 PRO n 
1 264 TYR n 
1 265 PRO n 
1 266 GLY n 
1 267 PRO n 
1 268 LYS n 
1 269 VAL n 
1 270 PHE n 
1 271 PRO n 
2 1   ACE n 
2 2   TYR n 
2 3   ILE n 
2 4   VAL n 
2 5   LYS n 
2 6   THR n 
2 7   PHE n 
2 8   TRP n 
2 9   LEU n 
2 10  GLY n 
2 11  SER n 
2 12  HIS n 
2 13  ARG n 
2 14  GLN n 
2 15  CYS n 
2 16  NH2 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                   271 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'ADO, C10orf22' 
_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      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
_pdbx_entity_src_syn.entity_id              2 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       16 
_pdbx_entity_src_syn.organism_scientific    'synthetic construct' 
_pdbx_entity_src_syn.organism_common_name   ? 
_pdbx_entity_src_syn.ncbi_taxonomy_id       32630 
_pdbx_entity_src_syn.details                ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ACE non-polymer         . 'ACETYL GROUP'                           ?                               'C2 H4 O'        44.053  
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 
CO  non-polymer         . 'COBALT (II) ION'                        ?                               'Co 2'           58.933  
CYS 'L-peptide linking' y CYSTEINE                                 ?                               'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE                                ?                               'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                          ?                               'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                                  ?                               'C2 H5 N O2'     75.067  
GOL non-polymer         . GLYCEROL                                 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       92.094  
HIS 'L-peptide linking' y HISTIDINE                                ?                               'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                                    ?                               'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                               ?                               'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                                  ?                               'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                                   ?                               'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                               ?                               'C5 H11 N O2 S'  149.211 
NH2 non-polymer         . 'AMINO GROUP'                            ?                               'H2 N'           16.023  
PHE 'L-peptide linking' y PHENYLALANINE                            ?                               'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                                  ?                               'C5 H9 N O2'     115.130 
SCN non-polymer         . 'THIOCYANATE ION'                        ?                               'C N S -1'       58.082  
SER 'L-peptide linking' y SERINE                                   ?                               'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE                                ?                               'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                               ?                               'C11 H12 N2 O2'  204.225 
TRS non-polymer         . 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL 'TRIS BUFFER'                   'C4 H12 N O3 1'  122.143 
TYR 'L-peptide linking' y TYROSINE                                 ?                               'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                                   ?                               'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   SER 1   0   ?   ?   ?   A . n 
A 1 2   MET 2   1   ?   ?   ?   A . n 
A 1 3   PRO 3   2   ?   ?   ?   A . n 
A 1 4   ARG 4   3   ?   ?   ?   A . n 
A 1 5   ASP 5   4   ?   ?   ?   A . n 
A 1 6   ASN 6   5   ?   ?   ?   A . n 
A 1 7   MET 7   6   6   MET MET A . n 
A 1 8   ALA 8   7   7   ALA ALA A . n 
A 1 9   SER 9   8   8   SER SER A . n 
A 1 10  LEU 10  9   9   LEU LEU A . n 
A 1 11  ILE 11  10  10  ILE ILE A . n 
A 1 12  GLN 12  11  11  GLN GLN A . n 
A 1 13  ARG 13  12  12  ARG ARG A . n 
A 1 14  ILE 14  13  13  ILE ILE A . n 
A 1 15  ALA 15  14  14  ALA ALA A . n 
A 1 16  ARG 16  15  15  ARG ARG A . n 
A 1 17  GLN 17  16  16  GLN GLN A . n 
A 1 18  ALA 18  17  17  ALA ALA A . n 
A 1 19  SER 19  18  18  SER SER A . n 
A 1 20  LEU 20  19  19  LEU LEU A . n 
A 1 21  THR 21  20  20  THR THR A . n 
A 1 22  PHE 22  21  21  PHE PHE A . n 
A 1 23  ARG 23  22  22  ARG ARG A . n 
A 1 24  GLY 24  23  ?   ?   ?   A . n 
A 1 25  SER 25  24  ?   ?   ?   A . n 
A 1 26  GLY 26  25  ?   ?   ?   A . n 
A 1 27  GLY 27  26  ?   ?   ?   A . n 
A 1 28  GLY 28  27  ?   ?   ?   A . n 
A 1 29  ARG 29  28  ?   ?   ?   A . n 
A 1 30  GLY 30  29  ?   ?   ?   A . n 
A 1 31  ALA 31  30  ?   ?   ?   A . n 
A 1 32  SER 32  31  ?   ?   ?   A . n 
A 1 33  ASP 33  32  ?   ?   ?   A . n 
A 1 34  ARG 34  33  ?   ?   ?   A . n 
A 1 35  ASP 35  34  ?   ?   ?   A . n 
A 1 36  ALA 36  35  ?   ?   ?   A . n 
A 1 37  ALA 37  36  ?   ?   ?   A . n 
A 1 38  SER 38  37  ?   ?   ?   A . n 
A 1 39  GLY 39  38  ?   ?   ?   A . n 
A 1 40  PRO 40  39  ?   ?   ?   A . n 
A 1 41  GLU 41  40  ?   ?   ?   A . n 
A 1 42  ALA 42  41  ?   ?   ?   A . n 
A 1 43  PRO 43  42  ?   ?   ?   A . n 
A 1 44  MET 44  43  43  MET MET A . n 
A 1 45  GLN 45  44  44  GLN GLN A . n 
A 1 46  PRO 46  45  45  PRO PRO A . n 
A 1 47  GLY 47  46  46  GLY GLY A . n 
A 1 48  PHE 48  47  47  PHE PHE A . n 
A 1 49  PRO 49  48  48  PRO PRO A . n 
A 1 50  GLU 50  49  49  GLU GLU A . n 
A 1 51  ASN 51  50  50  ASN ASN A . n 
A 1 52  LEU 52  51  51  LEU LEU A . n 
A 1 53  SER 53  52  52  SER SER A . n 
A 1 54  LYS 54  53  53  LYS LYS A . n 
A 1 55  LEU 55  54  54  LEU LEU A . n 
A 1 56  LYS 56  55  55  LYS LYS A . n 
A 1 57  SER 57  56  56  SER SER A . n 
A 1 58  LEU 58  57  57  LEU LEU A . n 
A 1 59  LEU 59  58  58  LEU LEU A . n 
A 1 60  THR 60  59  59  THR THR A . n 
A 1 61  GLN 61  60  60  GLN GLN A . n 
A 1 62  LEU 62  61  61  LEU LEU A . n 
A 1 63  ARG 63  62  62  ARG ARG A . n 
A 1 64  ALA 64  63  63  ALA ALA A . n 
A 1 65  GLU 65  64  64  GLU GLU A . n 
A 1 66  ASP 66  65  65  ASP ASP A . n 
A 1 67  LEU 67  66  66  LEU LEU A . n 
A 1 68  ASN 68  67  67  ASN ASN A . n 
A 1 69  ILE 69  68  68  ILE ILE A . n 
A 1 70  ALA 70  69  69  ALA ALA A . n 
A 1 71  PRO 71  70  70  PRO PRO A . n 
A 1 72  ARG 72  71  71  ARG ARG A . n 
A 1 73  LYS 73  72  72  LYS LYS A . n 
A 1 74  ALA 74  73  73  ALA ALA A . n 
A 1 75  THR 75  74  74  THR THR A . n 
A 1 76  LEU 76  75  75  LEU LEU A . n 
A 1 77  GLN 77  76  76  GLN GLN A . n 
A 1 78  PRO 78  77  77  PRO PRO A . n 
A 1 79  LEU 79  78  78  LEU LEU A . n 
A 1 80  PRO 80  79  79  PRO PRO A . n 
A 1 81  PRO 81  80  80  PRO PRO A . n 
A 1 82  ASN 82  81  81  ASN ASN A . n 
A 1 83  LEU 83  82  82  LEU LEU A . n 
A 1 84  PRO 84  83  83  PRO PRO A . n 
A 1 85  PRO 85  84  84  PRO PRO A . n 
A 1 86  VAL 86  85  85  VAL VAL A . n 
A 1 87  THR 87  86  86  THR THR A . n 
A 1 88  TYR 88  87  87  TYR TYR A . n 
A 1 89  MET 89  88  88  MET MET A . n 
A 1 90  HIS 90  89  89  HIS HIS A . n 
A 1 91  ILE 91  90  90  ILE ILE A . n 
A 1 92  TYR 92  91  91  TYR TYR A . n 
A 1 93  GLU 93  92  92  GLU GLU A . n 
A 1 94  THR 94  93  93  THR THR A . n 
A 1 95  ASP 95  94  94  ASP ASP A . n 
A 1 96  GLY 96  95  95  GLY GLY A . n 
A 1 97  PHE 97  96  96  PHE PHE A . n 
A 1 98  SER 98  97  97  SER SER A . n 
A 1 99  LEU 99  98  98  LEU LEU A . n 
A 1 100 GLY 100 99  99  GLY GLY A . n 
A 1 101 VAL 101 100 100 VAL VAL A . n 
A 1 102 PHE 102 101 101 PHE PHE A . n 
A 1 103 LEU 103 102 102 LEU LEU A . n 
A 1 104 LEU 104 103 103 LEU LEU A . n 
A 1 105 LYS 105 104 104 LYS LYS A . n 
A 1 106 SER 106 105 105 SER SER A . n 
A 1 107 GLY 107 106 106 GLY GLY A . n 
A 1 108 THR 108 107 107 THR THR A . n 
A 1 109 SER 109 108 108 SER SER A . n 
A 1 110 ILE 110 109 109 ILE ILE A . n 
A 1 111 PRO 111 110 110 PRO PRO A . n 
A 1 112 LEU 112 111 111 LEU LEU A . n 
A 1 113 HIS 113 112 112 HIS HIS A . n 
A 1 114 ASP 114 113 113 ASP ASP A . n 
A 1 115 HIS 115 114 114 HIS HIS A . n 
A 1 116 PRO 116 115 115 PRO PRO A . n 
A 1 117 GLY 117 116 116 GLY GLY A . n 
A 1 118 MET 118 117 117 MET MET A . n 
A 1 119 HIS 119 118 118 HIS HIS A . n 
A 1 120 GLY 120 119 119 GLY GLY A . n 
A 1 121 MET 121 120 120 MET MET A . n 
A 1 122 LEU 122 121 121 LEU LEU A . n 
A 1 123 LYS 123 122 122 LYS LYS A . n 
A 1 124 VAL 124 123 123 VAL VAL A . n 
A 1 125 LEU 125 124 124 LEU LEU A . n 
A 1 126 TYR 126 125 125 TYR TYR A . n 
A 1 127 GLY 127 126 126 GLY GLY A . n 
A 1 128 THR 128 127 127 THR THR A . n 
A 1 129 VAL 129 128 128 VAL VAL A . n 
A 1 130 ARG 130 129 129 ARG ARG A . n 
A 1 131 ILE 131 130 130 ILE ILE A . n 
A 1 132 SER 132 131 131 SER SER A . n 
A 1 133 CYS 133 132 132 CYS CYS A . n 
A 1 134 MET 134 133 133 MET MET A . n 
A 1 135 ASP 135 134 134 ASP ASP A . n 
A 1 136 LYS 136 135 135 LYS LYS A . n 
A 1 137 LEU 137 136 136 LEU LEU A . n 
A 1 138 ASP 138 137 ?   ?   ?   A . n 
A 1 139 ALA 139 138 ?   ?   ?   A . n 
A 1 140 GLY 140 139 ?   ?   ?   A . n 
A 1 141 GLY 141 140 ?   ?   ?   A . n 
A 1 142 GLY 142 141 ?   ?   ?   A . n 
A 1 143 GLN 143 142 ?   ?   ?   A . n 
A 1 144 ARG 144 143 ?   ?   ?   A . n 
A 1 145 PRO 145 144 144 PRO PRO A . n 
A 1 146 ARG 146 145 145 ARG ARG A . n 
A 1 147 ALA 147 146 146 ALA ALA A . n 
A 1 148 LEU 148 147 147 LEU LEU A . n 
A 1 149 PRO 149 148 148 PRO PRO A . n 
A 1 150 PRO 150 149 149 PRO PRO A . n 
A 1 151 GLU 151 150 150 GLU GLU A . n 
A 1 152 GLN 152 151 151 GLN GLN A . n 
A 1 153 GLN 153 152 152 GLN GLN A . n 
A 1 154 PHE 154 153 153 PHE PHE A . n 
A 1 155 GLU 155 154 154 GLU GLU A . n 
A 1 156 PRO 156 155 155 PRO PRO A . n 
A 1 157 PRO 157 156 156 PRO PRO A . n 
A 1 158 LEU 158 157 157 LEU LEU A . n 
A 1 159 GLN 159 158 158 GLN GLN A . n 
A 1 160 PRO 160 159 159 PRO PRO A . n 
A 1 161 ARG 161 160 160 ARG ARG A . n 
A 1 162 GLU 162 161 161 GLU GLU A . n 
A 1 163 ARG 163 162 162 ARG ARG A . n 
A 1 164 GLU 164 163 163 GLU GLU A . n 
A 1 165 ALA 165 164 164 ALA ALA A . n 
A 1 166 VAL 166 165 165 VAL VAL A . n 
A 1 167 ARG 167 166 166 ARG ARG A . n 
A 1 168 PRO 168 167 167 PRO PRO A . n 
A 1 169 GLY 169 168 168 GLY GLY A . n 
A 1 170 VAL 170 169 169 VAL VAL A . n 
A 1 171 LEU 171 170 170 LEU LEU A . n 
A 1 172 ARG 172 171 171 ARG ARG A . n 
A 1 173 SER 173 172 172 SER SER A . n 
A 1 174 ARG 174 173 173 ARG ARG A . n 
A 1 175 ALA 175 174 174 ALA ALA A . n 
A 1 176 GLU 176 175 175 GLU GLU A . n 
A 1 177 TYR 177 176 176 TYR TYR A . n 
A 1 178 THR 178 177 177 THR THR A . n 
A 1 179 GLU 179 178 178 GLU GLU A . n 
A 1 180 ALA 180 179 179 ALA ALA A . n 
A 1 181 SER 181 180 180 SER SER A . n 
A 1 182 GLY 182 181 181 GLY GLY A . n 
A 1 183 PRO 183 182 182 PRO PRO A . n 
A 1 184 CYS 184 183 183 CYS CYS A . n 
A 1 185 ILE 185 184 184 ILE ILE A . n 
A 1 186 LEU 186 185 185 LEU LEU A . n 
A 1 187 THR 187 186 186 THR THR A . n 
A 1 188 PRO 188 187 187 PRO PRO A . n 
A 1 189 HIS 189 188 188 HIS HIS A . n 
A 1 190 ARG 190 189 189 ARG ARG A . n 
A 1 191 ASP 191 190 190 ASP ASP A . n 
A 1 192 ASN 192 191 191 ASN ASN A . n 
A 1 193 LEU 193 192 192 LEU LEU A . n 
A 1 194 HIS 194 193 193 HIS HIS A . n 
A 1 195 GLN 195 194 194 GLN GLN A . n 
A 1 196 ILE 196 195 195 ILE ILE A . n 
A 1 197 ASP 197 196 196 ASP ASP A . n 
A 1 198 ALA 198 197 197 ALA ALA A . n 
A 1 199 VAL 199 198 198 VAL VAL A . n 
A 1 200 GLU 200 199 199 GLU GLU A . n 
A 1 201 GLY 201 200 200 GLY GLY A . n 
A 1 202 PRO 202 201 201 PRO PRO A . n 
A 1 203 ALA 203 202 202 ALA ALA A . n 
A 1 204 ALA 204 203 203 ALA ALA A . n 
A 1 205 PHE 205 204 204 PHE PHE A . n 
A 1 206 LEU 206 205 205 LEU LEU A . n 
A 1 207 ASP 207 206 206 ASP ASP A . n 
A 1 208 ILE 208 207 207 ILE ILE A . n 
A 1 209 LEU 209 208 208 LEU LEU A . n 
A 1 210 ALA 210 209 209 ALA ALA A . n 
A 1 211 PRO 211 210 210 PRO PRO A . n 
A 1 212 PRO 212 211 211 PRO PRO A . n 
A 1 213 TYR 213 212 212 TYR TYR A . n 
A 1 214 ASP 214 213 213 ASP ASP A . n 
A 1 215 PRO 215 214 214 PRO PRO A . n 
A 1 216 ASP 216 215 215 ASP ASP A . n 
A 1 217 ASP 217 216 216 ASP ASP A . n 
A 1 218 GLY 218 217 217 GLY GLY A . n 
A 1 219 ARG 219 218 218 ARG ARG A . n 
A 1 220 ASP 220 219 219 ASP ASP A . n 
A 1 221 CYS 221 220 220 CYS CYS A . n 
A 1 222 HIS 222 221 221 HIS HIS A . n 
A 1 223 TYR 223 222 222 TYR TYR A . n 
A 1 224 TYR 224 223 223 TYR TYR A . n 
A 1 225 ARG 225 224 224 ARG ARG A . n 
A 1 226 VAL 226 225 225 VAL VAL A . n 
A 1 227 LEU 227 226 226 LEU LEU A . n 
A 1 228 GLU 228 227 227 GLU GLU A . n 
A 1 229 PRO 229 228 228 PRO PRO A . n 
A 1 230 VAL 230 229 229 VAL VAL A . n 
A 1 231 ARG 231 230 ?   ?   ?   A . n 
A 1 232 PRO 232 231 ?   ?   ?   A . n 
A 1 233 LYS 233 232 ?   ?   ?   A . n 
A 1 234 GLU 234 233 ?   ?   ?   A . n 
A 1 235 ALA 235 234 ?   ?   ?   A . n 
A 1 236 SER 236 235 ?   ?   ?   A . n 
A 1 237 SER 237 236 ?   ?   ?   A . n 
A 1 238 SER 238 237 ?   ?   ?   A . n 
A 1 239 ALA 239 238 ?   ?   ?   A . n 
A 1 240 SER 240 239 ?   ?   ?   A . n 
A 1 241 ASP 241 240 240 ASP ASP A . n 
A 1 242 LEU 242 241 241 LEU LEU A . n 
A 1 243 PRO 243 242 242 PRO PRO A . n 
A 1 244 ARG 244 243 243 ARG ARG A . n 
A 1 245 GLU 245 244 244 GLU GLU A . n 
A 1 246 VAL 246 245 245 VAL VAL A . n 
A 1 247 TRP 247 246 246 TRP TRP A . n 
A 1 248 LEU 248 247 247 LEU LEU A . n 
A 1 249 LEU 249 248 248 LEU LEU A . n 
A 1 250 GLU 250 249 249 GLU GLU A . n 
A 1 251 THR 251 250 250 THR THR A . n 
A 1 252 PRO 252 251 251 PRO PRO A . n 
A 1 253 GLN 253 252 252 GLN GLN A . n 
A 1 254 ALA 254 253 253 ALA ALA A . n 
A 1 255 ASP 255 254 254 ASP ASP A . n 
A 1 256 ASP 256 255 255 ASP ASP A . n 
A 1 257 PHE 257 256 256 PHE PHE A . n 
A 1 258 TRP 258 257 257 TRP TRP A . n 
A 1 259 CYS 259 258 258 CYS CYS A . n 
A 1 260 GLU 260 259 259 GLU GLU A . n 
A 1 261 GLY 261 260 260 GLY GLY A . n 
A 1 262 GLU 262 261 261 GLU GLU A . n 
A 1 263 PRO 263 262 262 PRO PRO A . n 
A 1 264 TYR 264 263 263 TYR TYR A . n 
A 1 265 PRO 265 264 264 PRO PRO A . n 
A 1 266 GLY 266 265 265 GLY GLY A . n 
A 1 267 PRO 267 266 266 PRO PRO A . n 
A 1 268 LYS 268 267 267 LYS LYS A . n 
A 1 269 VAL 269 268 268 VAL VAL A . n 
A 1 270 PHE 270 269 269 PHE PHE A . n 
A 1 271 PRO 271 270 270 PRO PRO A . n 
B 2 1   ACE 1   0   0   ACE ACE B . n 
B 2 2   TYR 2   1   1   TYR TYR B . n 
B 2 3   ILE 3   2   2   ILE ILE B . n 
B 2 4   VAL 4   3   3   VAL VAL B . n 
B 2 5   LYS 5   4   4   LYS LYS B . n 
B 2 6   THR 6   5   5   THR THR B . n 
B 2 7   PHE 7   6   6   PHE PHE B . n 
B 2 8   TRP 8   7   7   TRP TRP B . n 
B 2 9   LEU 9   8   8   LEU LEU B . n 
B 2 10  GLY 10  9   9   GLY GLY B . n 
B 2 11  SER 11  10  10  SER SER B . n 
B 2 12  HIS 12  11  11  HIS HIS B . n 
B 2 13  ARG 13  12  12  ARG ARG B . n 
B 2 14  GLN 14  13  13  GLN GLN B . n 
B 2 15  CYS 15  14  14  CYS CYS B . n 
B 2 16  NH2 16  15  15  NH2 NH2 B . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 3 TRS 1   301 1   TRS TRS A . 
D 4 GOL 1   302 2   GOL GOL A . 
E 4 GOL 1   303 3   GOL GOL A . 
F 4 GOL 1   304 4   GOL GOL A . 
G 5 SCN 1   305 5   SCN SCN A . 
H 5 SCN 1   306 6   SCN SCN A . 
I 5 SCN 1   307 7   SCN SCN A . 
J 5 SCN 1   308 8   SCN SCN A . 
K 5 SCN 1   309 9   SCN SCN A . 
L 5 SCN 1   310 10  SCN SCN A . 
M 5 SCN 1   311 11  SCN SCN A . 
N 5 SCN 1   312 12  SCN SCN A . 
O 5 SCN 1   313 13  SCN SCN A . 
P 6 CO  1   314 1   CO  CO  A . 
Q 5 SCN 1   101 14  SCN SCN B . 
R 7 HOH 1   401 181 HOH HOH A . 
R 7 HOH 2   402 177 HOH HOH A . 
R 7 HOH 3   403 66  HOH HOH A . 
R 7 HOH 4   404 231 HOH HOH A . 
R 7 HOH 5   405 213 HOH HOH A . 
R 7 HOH 6   406 176 HOH HOH A . 
R 7 HOH 7   407 215 HOH HOH A . 
R 7 HOH 8   408 242 HOH HOH A . 
R 7 HOH 9   409 25  HOH HOH A . 
R 7 HOH 10  410 134 HOH HOH A . 
R 7 HOH 11  411 110 HOH HOH A . 
R 7 HOH 12  412 149 HOH HOH A . 
R 7 HOH 13  413 102 HOH HOH A . 
R 7 HOH 14  414 207 HOH HOH A . 
R 7 HOH 15  415 75  HOH HOH A . 
R 7 HOH 16  416 221 HOH HOH A . 
R 7 HOH 17  417 10  HOH HOH A . 
R 7 HOH 18  418 16  HOH HOH A . 
R 7 HOH 19  419 183 HOH HOH A . 
R 7 HOH 20  420 74  HOH HOH A . 
R 7 HOH 21  421 194 HOH HOH A . 
R 7 HOH 22  422 12  HOH HOH A . 
R 7 HOH 23  423 71  HOH HOH A . 
R 7 HOH 24  424 98  HOH HOH A . 
R 7 HOH 25  425 214 HOH HOH A . 
R 7 HOH 26  426 182 HOH HOH A . 
R 7 HOH 27  427 90  HOH HOH A . 
R 7 HOH 28  428 227 HOH HOH A . 
R 7 HOH 29  429 220 HOH HOH A . 
R 7 HOH 30  430 40  HOH HOH A . 
R 7 HOH 31  431 1   HOH HOH A . 
R 7 HOH 32  432 89  HOH HOH A . 
R 7 HOH 33  433 32  HOH HOH A . 
R 7 HOH 34  434 35  HOH HOH A . 
R 7 HOH 35  435 107 HOH HOH A . 
R 7 HOH 36  436 45  HOH HOH A . 
R 7 HOH 37  437 137 HOH HOH A . 
R 7 HOH 38  438 17  HOH HOH A . 
R 7 HOH 39  439 171 HOH HOH A . 
R 7 HOH 40  440 199 HOH HOH A . 
R 7 HOH 41  441 235 HOH HOH A . 
R 7 HOH 42  442 5   HOH HOH A . 
R 7 HOH 43  443 54  HOH HOH A . 
R 7 HOH 44  444 24  HOH HOH A . 
R 7 HOH 45  445 4   HOH HOH A . 
R 7 HOH 46  446 99  HOH HOH A . 
R 7 HOH 47  447 96  HOH HOH A . 
R 7 HOH 48  448 113 HOH HOH A . 
R 7 HOH 49  449 140 HOH HOH A . 
R 7 HOH 50  450 14  HOH HOH A . 
R 7 HOH 51  451 222 HOH HOH A . 
R 7 HOH 52  452 8   HOH HOH A . 
R 7 HOH 53  453 42  HOH HOH A . 
R 7 HOH 54  454 166 HOH HOH A . 
R 7 HOH 55  455 37  HOH HOH A . 
R 7 HOH 56  456 33  HOH HOH A . 
R 7 HOH 57  457 72  HOH HOH A . 
R 7 HOH 58  458 238 HOH HOH A . 
R 7 HOH 59  459 29  HOH HOH A . 
R 7 HOH 60  460 112 HOH HOH A . 
R 7 HOH 61  461 26  HOH HOH A . 
R 7 HOH 62  462 48  HOH HOH A . 
R 7 HOH 63  463 101 HOH HOH A . 
R 7 HOH 64  464 31  HOH HOH A . 
R 7 HOH 65  465 119 HOH HOH A . 
R 7 HOH 66  466 23  HOH HOH A . 
R 7 HOH 67  467 59  HOH HOH A . 
R 7 HOH 68  468 114 HOH HOH A . 
R 7 HOH 69  469 1   HOH HOH A . 
R 7 HOH 70  470 162 HOH HOH A . 
R 7 HOH 71  471 84  HOH HOH A . 
R 7 HOH 72  472 62  HOH HOH A . 
R 7 HOH 73  473 164 HOH HOH A . 
R 7 HOH 74  474 61  HOH HOH A . 
R 7 HOH 75  475 77  HOH HOH A . 
R 7 HOH 76  476 197 HOH HOH A . 
R 7 HOH 77  477 179 HOH HOH A . 
R 7 HOH 78  478 202 HOH HOH A . 
R 7 HOH 79  479 22  HOH HOH A . 
R 7 HOH 80  480 9   HOH HOH A . 
R 7 HOH 81  481 91  HOH HOH A . 
R 7 HOH 82  482 41  HOH HOH A . 
R 7 HOH 83  483 165 HOH HOH A . 
R 7 HOH 84  484 124 HOH HOH A . 
R 7 HOH 85  485 3   HOH HOH A . 
R 7 HOH 86  486 123 HOH HOH A . 
R 7 HOH 87  487 7   HOH HOH A . 
R 7 HOH 88  488 139 HOH HOH A . 
R 7 HOH 89  489 135 HOH HOH A . 
R 7 HOH 90  490 20  HOH HOH A . 
R 7 HOH 91  491 92  HOH HOH A . 
R 7 HOH 92  492 56  HOH HOH A . 
R 7 HOH 93  493 88  HOH HOH A . 
R 7 HOH 94  494 67  HOH HOH A . 
R 7 HOH 95  495 21  HOH HOH A . 
R 7 HOH 96  496 18  HOH HOH A . 
R 7 HOH 97  497 49  HOH HOH A . 
R 7 HOH 98  498 27  HOH HOH A . 
R 7 HOH 99  499 69  HOH HOH A . 
R 7 HOH 100 500 60  HOH HOH A . 
R 7 HOH 101 501 211 HOH HOH A . 
R 7 HOH 102 502 44  HOH HOH A . 
R 7 HOH 103 503 53  HOH HOH A . 
R 7 HOH 104 504 15  HOH HOH A . 
R 7 HOH 105 505 127 HOH HOH A . 
R 7 HOH 106 506 115 HOH HOH A . 
R 7 HOH 107 507 13  HOH HOH A . 
R 7 HOH 108 508 51  HOH HOH A . 
R 7 HOH 109 509 47  HOH HOH A . 
R 7 HOH 110 510 83  HOH HOH A . 
R 7 HOH 111 511 100 HOH HOH A . 
R 7 HOH 112 512 80  HOH HOH A . 
R 7 HOH 113 513 125 HOH HOH A . 
R 7 HOH 114 514 161 HOH HOH A . 
R 7 HOH 115 515 11  HOH HOH A . 
R 7 HOH 116 516 28  HOH HOH A . 
R 7 HOH 117 517 87  HOH HOH A . 
R 7 HOH 118 518 63  HOH HOH A . 
R 7 HOH 119 519 73  HOH HOH A . 
R 7 HOH 120 520 38  HOH HOH A . 
R 7 HOH 121 521 39  HOH HOH A . 
R 7 HOH 122 522 154 HOH HOH A . 
R 7 HOH 123 523 46  HOH HOH A . 
R 7 HOH 124 524 64  HOH HOH A . 
R 7 HOH 125 525 30  HOH HOH A . 
R 7 HOH 126 526 50  HOH HOH A . 
R 7 HOH 127 527 133 HOH HOH A . 
R 7 HOH 128 528 95  HOH HOH A . 
R 7 HOH 129 529 241 HOH HOH A . 
R 7 HOH 130 530 76  HOH HOH A . 
R 7 HOH 131 531 126 HOH HOH A . 
R 7 HOH 132 532 36  HOH HOH A . 
R 7 HOH 133 533 120 HOH HOH A . 
R 7 HOH 134 534 6   HOH HOH A . 
R 7 HOH 135 535 129 HOH HOH A . 
R 7 HOH 136 536 138 HOH HOH A . 
R 7 HOH 137 537 237 HOH HOH A . 
R 7 HOH 138 538 58  HOH HOH A . 
R 7 HOH 139 539 187 HOH HOH A . 
R 7 HOH 140 540 94  HOH HOH A . 
R 7 HOH 141 541 19  HOH HOH A . 
R 7 HOH 142 542 201 HOH HOH A . 
R 7 HOH 143 543 178 HOH HOH A . 
R 7 HOH 144 544 184 HOH HOH A . 
R 7 HOH 145 545 105 HOH HOH A . 
R 7 HOH 146 546 163 HOH HOH A . 
R 7 HOH 147 547 240 HOH HOH A . 
R 7 HOH 148 548 144 HOH HOH A . 
R 7 HOH 149 549 143 HOH HOH A . 
R 7 HOH 150 550 229 HOH HOH A . 
R 7 HOH 151 551 79  HOH HOH A . 
R 7 HOH 152 552 81  HOH HOH A . 
R 7 HOH 153 553 185 HOH HOH A . 
R 7 HOH 154 554 82  HOH HOH A . 
R 7 HOH 155 555 206 HOH HOH A . 
R 7 HOH 156 556 145 HOH HOH A . 
R 7 HOH 157 557 109 HOH HOH A . 
R 7 HOH 158 558 131 HOH HOH A . 
R 7 HOH 159 559 170 HOH HOH A . 
R 7 HOH 160 560 104 HOH HOH A . 
R 7 HOH 161 561 142 HOH HOH A . 
R 7 HOH 162 562 93  HOH HOH A . 
R 7 HOH 163 563 156 HOH HOH A . 
R 7 HOH 164 564 148 HOH HOH A . 
R 7 HOH 165 565 160 HOH HOH A . 
R 7 HOH 166 566 191 HOH HOH A . 
R 7 HOH 167 567 122 HOH HOH A . 
R 7 HOH 168 568 55  HOH HOH A . 
R 7 HOH 169 569 193 HOH HOH A . 
R 7 HOH 170 570 43  HOH HOH A . 
R 7 HOH 171 571 147 HOH HOH A . 
R 7 HOH 172 572 239 HOH HOH A . 
R 7 HOH 173 573 168 HOH HOH A . 
R 7 HOH 174 574 223 HOH HOH A . 
R 7 HOH 175 575 210 HOH HOH A . 
R 7 HOH 176 576 117 HOH HOH A . 
R 7 HOH 177 577 218 HOH HOH A . 
R 7 HOH 178 578 209 HOH HOH A . 
R 7 HOH 179 579 203 HOH HOH A . 
R 7 HOH 180 580 136 HOH HOH A . 
R 7 HOH 181 581 65  HOH HOH A . 
R 7 HOH 182 582 195 HOH HOH A . 
R 7 HOH 183 583 217 HOH HOH A . 
R 7 HOH 184 584 208 HOH HOH A . 
R 7 HOH 185 585 216 HOH HOH A . 
R 7 HOH 186 586 85  HOH HOH A . 
R 7 HOH 187 587 224 HOH HOH A . 
R 7 HOH 188 588 226 HOH HOH A . 
R 7 HOH 189 589 234 HOH HOH A . 
R 7 HOH 190 590 200 HOH HOH A . 
R 7 HOH 191 591 86  HOH HOH A . 
R 7 HOH 192 592 106 HOH HOH A . 
R 7 HOH 193 593 153 HOH HOH A . 
R 7 HOH 194 594 118 HOH HOH A . 
R 7 HOH 195 595 219 HOH HOH A . 
R 7 HOH 196 596 97  HOH HOH A . 
R 7 HOH 197 597 204 HOH HOH A . 
R 7 HOH 198 598 111 HOH HOH A . 
R 7 HOH 199 599 52  HOH HOH A . 
R 7 HOH 200 600 180 HOH HOH A . 
R 7 HOH 201 601 121 HOH HOH A . 
R 7 HOH 202 602 152 HOH HOH A . 
R 7 HOH 203 603 159 HOH HOH A . 
R 7 HOH 204 604 68  HOH HOH A . 
R 7 HOH 205 605 172 HOH HOH A . 
R 7 HOH 206 606 190 HOH HOH A . 
R 7 HOH 207 607 141 HOH HOH A . 
R 7 HOH 208 608 130 HOH HOH A . 
R 7 HOH 209 609 128 HOH HOH A . 
R 7 HOH 210 610 232 HOH HOH A . 
R 7 HOH 211 611 169 HOH HOH A . 
R 7 HOH 212 612 157 HOH HOH A . 
R 7 HOH 213 613 196 HOH HOH A . 
R 7 HOH 214 614 78  HOH HOH A . 
R 7 HOH 215 615 186 HOH HOH A . 
R 7 HOH 216 616 174 HOH HOH A . 
R 7 HOH 217 617 188 HOH HOH A . 
R 7 HOH 218 618 225 HOH HOH A . 
R 7 HOH 219 619 132 HOH HOH A . 
R 7 HOH 220 620 151 HOH HOH A . 
R 7 HOH 221 621 205 HOH HOH A . 
R 7 HOH 222 622 236 HOH HOH A . 
R 7 HOH 223 623 212 HOH HOH A . 
R 7 HOH 224 624 158 HOH HOH A . 
R 7 HOH 225 625 228 HOH HOH A . 
R 7 HOH 226 626 57  HOH HOH A . 
R 7 HOH 227 627 146 HOH HOH A . 
R 7 HOH 228 628 155 HOH HOH A . 
R 7 HOH 229 629 189 HOH HOH A . 
R 7 HOH 230 630 175 HOH HOH A . 
R 7 HOH 231 631 192 HOH HOH A . 
R 7 HOH 232 632 167 HOH HOH A . 
S 7 HOH 1   201 108 HOH HOH B . 
S 7 HOH 2   202 2   HOH HOH B . 
S 7 HOH 3   203 116 HOH HOH B . 
S 7 HOH 4   204 243 HOH HOH B . 
S 7 HOH 5   205 70  HOH HOH B . 
S 7 HOH 6   206 103 HOH HOH B . 
S 7 HOH 7   207 34  HOH HOH B . 
S 7 HOH 8   208 173 HOH HOH B . 
S 7 HOH 9   209 230 HOH HOH B . 
S 7 HOH 10  210 150 HOH HOH B . 
S 7 HOH 11  211 198 HOH HOH B . 
S 7 HOH 12  212 233 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 0 A MET 6   ? CG  ? A MET 7   CG  
2  1 Y 0 A ARG 22  ? NE  ? A ARG 23  NE  
3  1 Y 0 A ARG 22  ? CZ  ? A ARG 23  CZ  
4  1 Y 0 A ARG 22  ? NH1 ? A ARG 23  NH1 
5  1 Y 0 A ARG 22  ? NH2 ? A ARG 23  NH2 
6  1 Y 0 A MET 43  ? N   ? A MET 44  N   
7  1 Y 0 A MET 43  ? CA  ? A MET 44  CA  
8  1 Y 0 A GLN 44  ? CD  ? A GLN 45  CD  
9  1 Y 0 A GLN 44  ? OE1 ? A GLN 45  OE1 
10 1 Y 0 A GLN 44  ? NE2 ? A GLN 45  NE2 
11 1 Y 0 A LYS 53  ? CD  ? A LYS 54  CD  
12 1 Y 0 A ARG 62  ? CZ  ? A ARG 63  CZ  
13 1 Y 0 A ARG 62  ? NH1 ? A ARG 63  NH1 
14 1 Y 0 A GLU 64  ? CD  ? A GLU 65  CD  
15 1 Y 0 A GLU 150 ? CG  ? A GLU 151 CG  
16 1 Y 0 A GLU 150 ? CD  ? A GLU 151 CD  
17 1 Y 0 A GLN 151 ? CG  ? A GLN 152 CG  
18 1 Y 1 A ARG 160 ? CG  ? A ARG 161 CG  
19 1 Y 1 A ARG 160 ? CD  ? A ARG 161 CD  
20 1 Y 1 A ARG 160 ? NE  ? A ARG 161 NE  
21 1 Y 1 A ARG 160 ? CZ  ? A ARG 161 CZ  
22 1 Y 1 A ARG 160 ? NH1 ? A ARG 161 NH1 
23 1 Y 1 A ARG 160 ? NH2 ? A ARG 161 NH2 
24 1 Y 0 A GLU 163 ? OE2 ? A GLU 164 OE2 
25 1 Y 0 A ARG 173 ? CZ  ? A ARG 174 CZ  
26 1 Y 0 A ARG 173 ? NH1 ? A ARG 174 NH1 
27 1 Y 0 A ARG 173 ? NH2 ? A ARG 174 NH2 
28 1 Y 0 A GLU 178 ? CD  ? A GLU 179 CD  
29 1 Y 0 A GLU 227 ? CD  ? A GLU 228 CD  
30 1 Y 0 A GLU 227 ? OE1 ? A GLU 228 OE1 
31 1 Y 0 A GLU 227 ? OE2 ? A GLU 228 OE2 
32 1 Y 0 A GLU 244 ? CD  ? A GLU 245 CD  
33 1 Y 0 A PRO 270 ? C   ? A PRO 271 C   
34 1 Y 0 A PRO 270 ? O   ? A PRO 271 O   
# 
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_reference_DOI 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? 1.20.1_4487 ? 1 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? 1.20.1_4487 ? 2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .           ? 3 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .           ? 4 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .           ? 5 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9DXU 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     36.111 
_cell.length_a_esd                 ? 
_cell.length_b                     71.605 
_cell.length_b_esd                 ? 
_cell.length_c                     108.872 
_cell.length_c_esd                 ? 
_cell.volume                       281513.396 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9DXU 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                18 
_symmetry.space_group_name_Hall            'P 2 2ab (z,x,y)' 
_symmetry.space_group_name_H-M             'P 2 21 21' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9DXU 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.23 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          44.76 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '20% w/v PEG3350, 0.2 M sodium thiocyanate' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-11-02 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9537 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'AUSTRALIAN SYNCHROTRON BEAMLINE MX2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9537 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   MX2 
_diffrn_source.pdbx_synchrotron_site       'Australian Synchrotron' 
# 
_reflns.B_iso_Wilson_estimate                          23.81 
_reflns.entry_id                                       9DXU 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.74 
_reflns.d_resolution_low                               43.34 
_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                                     29565 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                13.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          15.3 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.74 
_reflns_shell.d_res_low                                     1.78 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1542 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.730 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               30.36 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9DXU 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.74 
_refine.ls_d_res_low                             43.34 
_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                     29515 
_refine.ls_number_reflns_R_free                  1478 
_refine.ls_number_reflns_R_work                  28037 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.86 
_refine.ls_percent_reflns_R_free                 5.01 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1768 
_refine.ls_R_factor_R_free                       0.2147 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1749 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.correlation_coeff_I_to_Fcsqd_work        ? 
_refine.correlation_coeff_I_to_Fcsqd_free        ? 
_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                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_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                 20.9248 
_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                             ? 
_refine.overall_SU_ML                            0.2198 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.74 
_refine_hist.d_res_low                        43.34 
_refine_hist.number_atoms_solvent             244 
_refine_hist.number_atoms_total               2232 
_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        1931 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         57 
_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_Zscore 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.0072 ? 2200 ? f_bond_d           ? ? ? 
'X-RAY DIFFRACTION' ? 1.0127 ? 2998 ? f_angle_d          ? ? ? 
'X-RAY DIFFRACTION' ? 0.0640 ? 314  ? f_chiral_restr     ? ? ? 
'X-RAY DIFFRACTION' ? 0.0090 ? 393  ? f_plane_restr      ? ? ? 
'X-RAY DIFFRACTION' ? 9.7987 ? 320  ? f_dihedral_angle_d ? ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.correlation_coeff_Fo_to_Fc 
_refine_ls_shell.correlation_coeff_Fo_to_Fc_free 
_refine_ls_shell.correlation_coeff_I_to_Fcsqd_work 
_refine_ls_shell.correlation_coeff_I_to_Fcsqd_free 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.74 1.80  . . 123 2481 98.64  . . . . 0.2895 . . . . . . . . . . . . . . . 0.3286 
'X-RAY DIFFRACTION' 1.80 1.87  . . 125 2478 100.00 . . . . 0.2409 . . . . . . . . . . . . . . . 0.2903 
'X-RAY DIFFRACTION' 1.87 1.94  . . 124 2527 100.00 . . . . 0.2160 . . . . . . . . . . . . . . . 0.2621 
'X-RAY DIFFRACTION' 1.94 2.03  . . 171 2482 100.00 . . . . 0.1924 . . . . . . . . . . . . . . . 0.2584 
'X-RAY DIFFRACTION' 2.03 2.14  . . 125 2538 100.00 . . . . 0.1834 . . . . . . . . . . . . . . . 0.2494 
'X-RAY DIFFRACTION' 2.14 2.27  . . 145 2515 100.00 . . . . 0.1974 . . . . . . . . . . . . . . . 0.2147 
'X-RAY DIFFRACTION' 2.27 2.44  . . 120 2547 100.00 . . . . 0.1806 . . . . . . . . . . . . . . . 0.2101 
'X-RAY DIFFRACTION' 2.44 2.69  . . 130 2553 100.00 . . . . 0.1904 . . . . . . . . . . . . . . . 0.2451 
'X-RAY DIFFRACTION' 2.69 3.08  . . 138 2577 100.00 . . . . 0.1789 . . . . . . . . . . . . . . . 0.2162 
'X-RAY DIFFRACTION' 3.08 3.88  . . 150 2572 100.00 . . . . 0.1506 . . . . . . . . . . . . . . . 0.2028 
'X-RAY DIFFRACTION' 3.88 43.34 . . 127 2767 99.93  . . . . 0.1497 . . . . . . . . . . . . . . . 0.1666 
# 
_struct.entry_id                     9DXU 
_struct.title                        
;Crystal structure of cobalt-incorporated human 2-aminoethanethiol (aka cysteamine) dioxygenase (ADO) variant C18S/C239S in complex with CP6
;
_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        9DXU 
_struct_keywords.text            'oxygen-sensor, thiol dioxygenase, OXIDOREDUCTASE' 
_struct_keywords.pdbx_keywords   OXIDOREDUCTASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 4 ? 
F N N 4 ? 
G N N 5 ? 
H N N 5 ? 
I N N 5 ? 
J N N 5 ? 
K N N 5 ? 
L N N 5 ? 
M N N 5 ? 
N N N 5 ? 
O N N 5 ? 
P N N 6 ? 
Q N N 5 ? 
R N N 7 ? 
S N N 7 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP AEDO_HUMAN Q96SZ5 ? 1 
;MPRDNMASLIQRIARQACLTFRGSGGGRGASDRDAASGPEAPMQPGFPENLSKLKSLLTQLRAEDLNIAPRKATLQPLPP
NLPPVTYMHIYETDGFSLGVFLLKSGTSIPLHDHPGMHGMLKVLYGTVRISCMDKLDAGGGQRPRALPPEQQFEPPLQPR
EREAVRPGVLRSRAEYTEASGPCILTPHRDNLHQIDAVEGPAAFLDILAPPYDPDDGRDCHYYRVLEPVRPKEASSSACD
LPREVWLLETPQADDFWCEGEPYPGPKVFP
;
1 
2 PDB 9DXU       9DXU   ? 2 ? 1 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9DXU A 2 ? 271 ? Q96SZ5 1 ? 270 ? 1 270 
2 2 9DXU B 1 ? 16  ? 9DXU   0 ? 15  ? 0 15  
# 
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 9DXU SER A 1   ? UNP Q96SZ5 ?   ?   'expression tag' 0   1 
1 9DXU SER A 19  ? UNP Q96SZ5 CYS 18  conflict         18  2 
1 9DXU SER A 240 ? UNP Q96SZ5 CYS 239 conflict         239 3 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 4320  ? 
1 MORE         -41   ? 
1 'SSA (A^2)'  12830 ? 
# 
_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,J,K,L,M,N,O,P,Q,R,S 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'surface plasmon resonance' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 SER A 9   ? ARG A 23  ? SER A 8   ARG A 22  1 ? 15 
HELX_P HELX_P2 AA2 GLY A 47  ? LEU A 62  ? GLY A 46  LEU A 61  1 ? 16 
HELX_P HELX_P3 AA3 ARG A 63  ? ASN A 68  ? ARG A 62  ASN A 67  5 ? 6  
HELX_P HELX_P4 AA4 GLN A 159 ? VAL A 166 ? GLN A 158 VAL A 165 1 ? 8  
HELX_P HELX_P5 AA5 ASP A 214 ? GLY A 218 ? ASP A 213 GLY A 217 5 ? 5  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
covale1  covale both ? B ACE 1   C   ? ? ? 1_555 B TYR 2  N  ? ? B ACE 0   B TYR 1   1_555 ? ? ? ? ? ? ? 1.329 ? ? 
covale2  covale none ? B ACE 1   CH3 ? ? ? 1_555 B CYS 15 SG ? ? B ACE 0   B CYS 14  1_555 ? ? ? ? ? ? ? 1.769 ? ? 
covale3  covale both ? B CYS 15  C   ? ? ? 1_555 B NH2 16 N  ? ? B CYS 14  B NH2 15  1_555 ? ? ? ? ? ? ? 1.429 ? ? 
metalc1  metalc ?    ? A HIS 113 NE2 ? ? ? 1_555 P CO  .  CO ? ? A HIS 112 A CO  314 1_555 ? ? ? ? ? ? ? 2.074 ? ? 
metalc2  metalc ?    ? A HIS 115 NE2 ? ? ? 1_555 P CO  .  CO ? ? A HIS 114 A CO  314 1_555 ? ? ? ? ? ? ? 2.136 ? ? 
metalc3  metalc ?    ? A HIS 194 NE2 ? ? ? 1_555 P CO  .  CO ? ? A HIS 193 A CO  314 1_555 ? ? ? ? ? ? ? 2.138 ? ? 
metalc4  metalc ?    ? C TRS .   N   B ? ? 1_555 P CO  .  CO ? ? A TRS 301 A CO  314 1_555 ? ? ? ? ? ? ? 1.982 ? ? 
metalc5  metalc ?    ? C TRS .   N   C ? ? 1_555 P CO  .  CO ? ? A TRS 301 A CO  314 1_555 ? ? ? ? ? ? ? 1.924 ? ? 
metalc6  metalc ?    ? C TRS .   O1  A ? ? 1_555 P CO  .  CO ? ? A TRS 301 A CO  314 1_555 ? ? ? ? ? ? ? 2.239 ? ? 
metalc7  metalc ?    ? C TRS .   O1  C ? ? 1_555 P CO  .  CO ? ? A TRS 301 A CO  314 1_555 ? ? ? ? ? ? ? 2.329 ? ? 
metalc8  metalc ?    ? C TRS .   O2  A ? ? 1_555 P CO  .  CO ? ? A TRS 301 A CO  314 1_555 ? ? ? ? ? ? ? 2.474 ? ? 
metalc9  metalc ?    ? C TRS .   O3  A ? ? 1_555 P CO  .  CO ? ? A TRS 301 A CO  314 1_555 ? ? ? ? ? ? ? 2.028 ? ? 
metalc10 metalc ?    ? C TRS .   O3  B ? ? 1_555 P CO  .  CO ? ? A TRS 301 A CO  314 1_555 ? ? ? ? ? ? ? 2.489 ? ? 
metalc11 metalc ?    ? P CO  .   CO  ? ? ? 1_555 R HOH .  O  E ? A CO  314 A HOH 431 1_555 ? ? ? ? ? ? ? 2.091 ? ? 
metalc12 metalc ?    ? P CO  .   CO  ? ? ? 1_555 R HOH .  O  G ? A CO  314 A HOH 431 1_555 ? ? ? ? ? ? ? 1.872 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  NE2 ? A HIS 113 ? A HIS 112 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 NE2 ? A HIS 115 ? A HIS 114 ? 1_555 91.0  ? 
2  NE2 ? A HIS 113 ? A HIS 112 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 NE2 ? A HIS 194 ? A HIS 193 ? 1_555 93.7  ? 
3  NE2 ? A HIS 115 ? A HIS 114 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 NE2 ? A HIS 194 ? A HIS 193 ? 1_555 91.0  ? 
4  NE2 ? A HIS 113 ? A HIS 112 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 N   B C TRS .   ? A TRS 301 ? 1_555 90.6  ? 
5  NE2 ? A HIS 115 ? A HIS 114 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 N   B C TRS .   ? A TRS 301 ? 1_555 176.3 ? 
6  NE2 ? A HIS 194 ? A HIS 193 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 N   B C TRS .   ? A TRS 301 ? 1_555 92.3  ? 
7  NE2 ? A HIS 113 ? A HIS 112 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 N   C C TRS .   ? A TRS 301 ? 1_555 86.9  ? 
8  NE2 ? A HIS 115 ? A HIS 114 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 N   C C TRS .   ? A TRS 301 ? 1_555 102.0 ? 
9  NE2 ? A HIS 194 ? A HIS 193 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 N   C C TRS .   ? A TRS 301 ? 1_555 167.0 ? 
10 N   B C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 N   C C TRS .   ? A TRS 301 ? 1_555 74.8  ? 
11 NE2 ? A HIS 113 ? A HIS 112 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O1  A C TRS .   ? A TRS 301 ? 1_555 89.4  ? 
12 NE2 ? A HIS 115 ? A HIS 114 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O1  A C TRS .   ? A TRS 301 ? 1_555 175.8 ? 
13 NE2 ? A HIS 194 ? A HIS 193 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O1  A C TRS .   ? A TRS 301 ? 1_555 84.8  ? 
14 N   B C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O1  A C TRS .   ? A TRS 301 ? 1_555 7.6   ? 
15 N   C C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O1  A C TRS .   ? A TRS 301 ? 1_555 82.2  ? 
16 NE2 ? A HIS 113 ? A HIS 112 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O1  C C TRS .   ? A TRS 301 ? 1_555 161.9 ? 
17 NE2 ? A HIS 115 ? A HIS 114 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O1  C C TRS .   ? A TRS 301 ? 1_555 79.0  ? 
18 NE2 ? A HIS 194 ? A HIS 193 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O1  C C TRS .   ? A TRS 301 ? 1_555 101.4 ? 
19 N   B C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O1  C C TRS .   ? A TRS 301 ? 1_555 98.7  ? 
20 N   C C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O1  C C TRS .   ? A TRS 301 ? 1_555 80.6  ? 
21 O1  A C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O1  C C TRS .   ? A TRS 301 ? 1_555 101.8 ? 
22 NE2 ? A HIS 113 ? A HIS 112 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O2  A C TRS .   ? A TRS 301 ? 1_555 77.5  ? 
23 NE2 ? A HIS 115 ? A HIS 114 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O2  A C TRS .   ? A TRS 301 ? 1_555 88.7  ? 
24 NE2 ? A HIS 194 ? A HIS 193 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O2  A C TRS .   ? A TRS 301 ? 1_555 171.2 ? 
25 N   B C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O2  A C TRS .   ? A TRS 301 ? 1_555 88.4  ? 
26 N   C C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O2  A C TRS .   ? A TRS 301 ? 1_555 16.3  ? 
27 O1  A C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O2  A C TRS .   ? A TRS 301 ? 1_555 95.5  ? 
28 O1  C C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O2  A C TRS .   ? A TRS 301 ? 1_555 87.2  ? 
29 NE2 ? A HIS 113 ? A HIS 112 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O3  A C TRS .   ? A TRS 301 ? 1_555 175.7 ? 
30 NE2 ? A HIS 115 ? A HIS 114 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O3  A C TRS .   ? A TRS 301 ? 1_555 93.3  ? 
31 NE2 ? A HIS 194 ? A HIS 193 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O3  A C TRS .   ? A TRS 301 ? 1_555 86.6  ? 
32 N   B C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O3  A C TRS .   ? A TRS 301 ? 1_555 85.1  ? 
33 N   C C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O3  A C TRS .   ? A TRS 301 ? 1_555 91.8  ? 
34 O1  A C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O3  A C TRS .   ? A TRS 301 ? 1_555 86.4  ? 
35 O1  C C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O3  A C TRS .   ? A TRS 301 ? 1_555 20.5  ? 
36 O2  A C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O3  A C TRS .   ? A TRS 301 ? 1_555 102.2 ? 
37 NE2 ? A HIS 113 ? A HIS 112 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O3  B C TRS .   ? A TRS 301 ? 1_555 92.9  ? 
38 NE2 ? A HIS 115 ? A HIS 114 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O3  B C TRS .   ? A TRS 301 ? 1_555 104.9 ? 
39 NE2 ? A HIS 194 ? A HIS 193 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O3  B C TRS .   ? A TRS 301 ? 1_555 162.7 ? 
40 N   B C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O3  B C TRS .   ? A TRS 301 ? 1_555 71.7  ? 
41 N   C C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O3  B C TRS .   ? A TRS 301 ? 1_555 6.7   ? 
42 O1  A C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O3  B C TRS .   ? A TRS 301 ? 1_555 79.3  ? 
43 O1  C C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O3  B C TRS .   ? A TRS 301 ? 1_555 75.5  ? 
44 O2  A C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O3  B C TRS .   ? A TRS 301 ? 1_555 22.5  ? 
45 O3  A C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O3  B C TRS .   ? A TRS 301 ? 1_555 85.6  ? 
46 NE2 ? A HIS 113 ? A HIS 112 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   E R HOH .   ? A HOH 431 ? 1_555 167.2 ? 
47 NE2 ? A HIS 115 ? A HIS 114 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   E R HOH .   ? A HOH 431 ? 1_555 91.5  ? 
48 NE2 ? A HIS 194 ? A HIS 193 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   E R HOH .   ? A HOH 431 ? 1_555 98.9  ? 
49 N   B C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   E R HOH .   ? A HOH 431 ? 1_555 86.3  ? 
50 N   C C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   E R HOH .   ? A HOH 431 ? 1_555 80.3  ? 
51 O1  A C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   E R HOH .   ? A HOH 431 ? 1_555 89.1  ? 
52 O1  C C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   E R HOH .   ? A HOH 431 ? 1_555 12.7  ? 
53 O2  A C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   E R HOH .   ? A HOH 431 ? 1_555 90.0  ? 
54 O3  A C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   E R HOH .   ? A HOH 431 ? 1_555 12.3  ? 
55 O3  B C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   E R HOH .   ? A HOH 431 ? 1_555 74.3  ? 
56 NE2 ? A HIS 113 ? A HIS 112 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   G R HOH .   ? A HOH 431 ? 1_555 84.2  ? 
57 NE2 ? A HIS 115 ? A HIS 114 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   G R HOH .   ? A HOH 431 ? 1_555 87.3  ? 
58 NE2 ? A HIS 194 ? A HIS 193 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   G R HOH .   ? A HOH 431 ? 1_555 177.2 ? 
59 N   B C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   G R HOH .   ? A HOH 431 ? 1_555 89.6  ? 
60 N   C C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   G R HOH .   ? A HOH 431 ? 1_555 15.0  ? 
61 O1  A C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   G R HOH .   ? A HOH 431 ? 1_555 97.0  ? 
62 O1  C C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   G R HOH .   ? A HOH 431 ? 1_555 80.4  ? 
63 O2  A C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   G R HOH .   ? A HOH 431 ? 1_555 6.8   ? 
64 O3  A C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   G R HOH .   ? A HOH 431 ? 1_555 95.6  ? 
65 O3  B C TRS .   ? A TRS 301 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   G R HOH .   ? A HOH 431 ? 1_555 19.8  ? 
66 O   E R HOH .   ? A HOH 431 ? 1_555 CO ? P CO . ? A CO 314 ? 1_555 O   G R HOH .   ? A HOH 431 ? 1_555 83.3  ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 ACE B 1  ? TYR B 2  ? ACE B 0  ? 1_555 TYR B 1  ? 1_555 .   .  TYR 5  ACE None 'Terminal acetylation' 
2 NH2 B 16 ? CYS B 15 ? NH2 B 15 ? 1_555 CYS B 14 ? 1_555 .   .  CYS 11 NH2 None 'Terminal amidation'   
3 ACE B 1  ? CYS B 15 ? ACE B 0  ? 1_555 CYS B 14 ? 1_555 CH3 SG .   .  .   None 'Non-standard linkage' 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 GLU 155 A . ? GLU 154 A PRO 156 A ? PRO 155 A 1 -4.93 
2 ALA 210 A . ? ALA 209 A PRO 211 A ? PRO 210 A 1 -7.33 
3 LEU 242 A . ? LEU 241 A PRO 243 A ? PRO 242 A 1 0.85  
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 10 ? 
AA2 ? 6  ? 
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 
AA1 5 6  ? anti-parallel 
AA1 6 7  ? anti-parallel 
AA1 7 8  ? anti-parallel 
AA1 8 9  ? anti-parallel 
AA1 9 10 ? parallel      
AA2 1 2  ? anti-parallel 
AA2 2 3  ? anti-parallel 
AA2 3 4  ? anti-parallel 
AA2 4 5  ? anti-parallel 
AA2 5 6  ? parallel      
AA3 1 2  ? anti-parallel 
# 
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  CYS A 184 ? LEU A 186 ? CYS A 183 LEU A 185 
AA1 2  HIS A 119 ? LYS A 136 ? HIS A 118 LYS A 135 
AA1 3  ARG A 167 ? TYR A 177 ? ARG A 166 TYR A 176 
AA1 4  ARG A 244 ? THR A 251 ? ARG A 243 THR A 250 
AA1 5  TYR A 223 ? LEU A 227 ? TYR A 222 LEU A 226 
AA1 6  SER A 109 ? HIS A 113 ? SER A 108 HIS A 112 
AA1 7  LEU A 193 ? ALA A 210 ? LEU A 192 ALA A 209 
AA1 8  SER A 98  ? LEU A 104 ? SER A 97  LEU A 103 
AA1 9  VAL A 86  ? GLU A 93  ? VAL A 85  GLU A 92  
AA1 10 CYS A 259 ? GLY A 261 ? CYS A 258 GLY A 260 
AA2 1  CYS A 184 ? LEU A 186 ? CYS A 183 LEU A 185 
AA2 2  HIS A 119 ? LYS A 136 ? HIS A 118 LYS A 135 
AA2 3  LEU A 193 ? ALA A 210 ? LEU A 192 ALA A 209 
AA2 4  SER A 98  ? LEU A 104 ? SER A 97  LEU A 103 
AA2 5  VAL A 86  ? GLU A 93  ? VAL A 85  GLU A 92  
AA2 6  CYS A 259 ? GLY A 261 ? CYS A 258 GLY A 260 
AA3 1  ILE B 3   ? THR B 6   ? ILE B 2   THR B 5   
AA3 2  GLY B 10  ? ARG B 13  ? GLY B 9   ARG B 12  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2  O CYS A 184 ? O CYS A 183 N LEU A 122 ? N LEU A 121 
AA1 2 3  N VAL A 129 ? N VAL A 128 O TYR A 177 ? O TYR A 176 
AA1 3 4  N LEU A 171 ? N LEU A 170 O ARG A 244 ? O ARG A 243 
AA1 4 5  O TRP A 247 ? O TRP A 246 N LEU A 227 ? N LEU A 226 
AA1 5 6  O TYR A 224 ? O TYR A 223 N LEU A 112 ? N LEU A 111 
AA1 6 7  N ILE A 110 ? N ILE A 109 O ILE A 196 ? O ILE A 195 
AA1 7 8  O ALA A 203 ? O ALA A 202 N LEU A 104 ? N LEU A 103 
AA1 8 9  O VAL A 101 ? O VAL A 100 N MET A 89  ? N MET A 88  
AA1 9 10 N TYR A 88  ? N TYR A 87  O GLU A 260 ? O GLU A 259 
AA2 1 2  O CYS A 184 ? O CYS A 183 N LEU A 122 ? N LEU A 121 
AA2 2 3  N HIS A 119 ? N HIS A 118 O ALA A 210 ? O ALA A 209 
AA2 3 4  O ALA A 203 ? O ALA A 202 N LEU A 104 ? N LEU A 103 
AA2 4 5  O VAL A 101 ? O VAL A 100 N MET A 89  ? N MET A 88  
AA2 5 6  N TYR A 88  ? N TYR A 87  O GLU A 260 ? O GLU A 259 
AA3 1 2  N VAL B 4   ? N VAL B 3   O HIS B 12  ? O HIS B 11  
# 
_pdbx_entry_details.entry_id                   9DXU 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O   A HOH 570 ? ? O  A HOH 618 ? ? 1.99 
2 1 OE1 A GLN 194 ? A O  A HOH 401 ? ? 2.03 
3 1 O   A LEU 226 ? ? O  A HOH 402 ? ? 2.07 
4 1 O   B TRP 7   ? ? O2 A TRS 301 ? C 2.07 
5 1 O   A HOH 618 ? ? O  A HOH 619 ? ? 2.14 
6 1 O   A HOH 545 ? ? O  A HOH 560 ? ? 2.18 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASP A 213 ? ? -150.57 87.11 
2 1 GLN B 13  ? ? -95.78  58.75 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z           
2 x,-y,-z         
3 -x,y+1/2,-z+1/2 
4 -x,-y+1/2,z+1/2 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -16.239124051  -26.2057252156 28.5712041219  0.150815022566 ? -0.0392748056342   ? 0.0425131571536 
? 0.205308474919  ? 0.0468743656797   ? 0.197141534227 ? 6.77148892853  ? 0.429769579657  ? 0.652222631469  ? 4.57914836313  ? 
-0.914592289484  ? 5.89287140707 ? 0.125590646893   ? -0.34801865814  ? -0.399980188514 ? -0.0217327429969  ? -0.062686045473  ? 
0.303669640396  ? 0.4664364887     ? -0.556145697599  ? -0.0384538233541 ? 
2 'X-RAY DIFFRACTION' ? refined -1.60848241392 -15.7703108811 20.8126745947  0.113800083095 ? 0.00327087237511   ? 
0.00641254974375  ? 0.0774129353147 ? 0.00949428890118  ? 0.117114345056 ? 2.20579220239  ? 0.265046289047  ? -0.239221841055 ? 
1.47588995154  ? -0.0972520755269 ? 2.37440781534 ? 0.00448664502722 ? 0.0564030722909 ? 0.104403096007  ? -0.00569082990214 ? 
0.0376727720205  ? 0.0418467602147 ? -0.0283422944436 ? -0.0753704396141 ? -0.0364077051967 ? 
3 'X-RAY DIFFRACTION' ? refined -5.11478188319 -14.6584777253 -10.9857477383 0.327888793881 ? -0.0706994531104   ? 
-0.00725644710894 ? 0.346524619917  ? 0.0318676255548   ? 0.142244393532 ? 5.89077369356  ? -4.09145099031  ? -3.89302390472  ? 
4.13474535096  ? 0.032597408076   ? 8.09361274962 ? 0.063510036332   ? -0.285441729436 ? 0.156984720606  ? -0.152194675487   ? 
0.0161235937777  ? 0.101372618862  ? -0.047181682899  ? -0.831891904397  ? -0.0292842396558 ? 
4 'X-RAY DIFFRACTION' ? refined -7.72687026247 -17.8553385061 10.7630871675  0.1317181976   ? 0.00543283879465   ? 
-0.0199826485633  ? 0.176884223148  ? 0.01449179233     ? 0.180717826238 ? 0.923961016815 ? 0.358194128226  ? -0.56397505996  ? 
0.519161372437 ? -0.634237659963  ? 3.75865483967 ? -0.0334265822255 ? 0.188668728616  ? 0.0637928873919 ? -0.0931461543648  ? 
0.0128220653605  ? 0.0808664456049 ? 0.0302799892072  ? -0.513850247067  ? 0.0143314411375  ? 
5 'X-RAY DIFFRACTION' ? refined -1.45376053605 -18.6925790381 11.0951597066  0.149694521502 ? -0.00398278120054  ? 
-0.0089764235959  ? 0.187986189024  ? 0.0182230580387   ? 0.142575158889 ? 1.55468262593  ? 0.0651373847323 ? 0.281576534734  ? 
1.03174781964  ? 0.152768160382   ? 4.18178840229 ? -0.0156447736673 ? 0.342945499606  ? 0.110570109507  ? -0.221763588821   ? 
0.00798791418083 ? 0.0562127976076 ? -0.0472276268007 ? -0.162109785665  ? -0.0153938958706 ? 
6 'X-RAY DIFFRACTION' ? refined 6.75468242782  -26.0058907923 15.2457620396  0.206972226363 ? -0.000425388232719 ? 
-0.0205306827232  ? 0.174295614282  ? -0.00975872328329 ? 0.248222990054 ? 6.10638571551  ? 2.68265863043   ? -6.73601816811  ? 
3.63772091181  ? -3.01709587929   ? 9.82726225465 ? -0.102433009241  ? -0.157852144828 ? -0.246632423796 ? 0.300773547597    ? 
-0.12226422443   ? -0.413679907586 ? 0.251934543554   ? 0.210666832717   ? 0.181471941336   ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_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 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 A 2   A 7   ? A 35  A 60  ? ? 
;chain 'A' and (resid 7 through 60 )
;
2 'X-RAY DIFFRACTION' 2 A 36  A 61  ? A 110 A 135 ? ? 
;chain 'A' and (resid 61 through 135 )
;
3 'X-RAY DIFFRACTION' 3 A 111 A 136 ? A 126 A 158 ? ? 
;chain 'A' and (resid 136 through 158 )
;
4 'X-RAY DIFFRACTION' 4 A 127 A 159 ? A 184 A 216 ? ? 
;chain 'A' and (resid 159 through 216 )
;
5 'X-RAY DIFFRACTION' 5 A 185 A 217 ? A 228 A 270 ? ? 
;chain 'A' and (resid 217 through 270 )
;
6 'X-RAY DIFFRACTION' 6 C 2   B 1   ? C 15  B 14  ? ? 
;chain 'B' and (resid 1 through 14 )
;
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 630 ? 5.82 .    
2 1 O ? A HOH 631 ? 5.90 .    
3 1 O ? A HOH 632 ? .    6.40 
# 
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 SER 0   ? A SER 1   
2  1 Y 1 A MET 1   ? A MET 2   
3  1 Y 1 A PRO 2   ? A PRO 3   
4  1 Y 1 A ARG 3   ? A ARG 4   
5  1 Y 1 A ASP 4   ? A ASP 5   
6  1 Y 1 A ASN 5   ? A ASN 6   
7  1 Y 1 A GLY 23  ? A GLY 24  
8  1 Y 1 A SER 24  ? A SER 25  
9  1 Y 1 A GLY 25  ? A GLY 26  
10 1 Y 1 A GLY 26  ? A GLY 27  
11 1 Y 1 A GLY 27  ? A GLY 28  
12 1 Y 1 A ARG 28  ? A ARG 29  
13 1 Y 1 A GLY 29  ? A GLY 30  
14 1 Y 1 A ALA 30  ? A ALA 31  
15 1 Y 1 A SER 31  ? A SER 32  
16 1 Y 1 A ASP 32  ? A ASP 33  
17 1 Y 1 A ARG 33  ? A ARG 34  
18 1 Y 1 A ASP 34  ? A ASP 35  
19 1 Y 1 A ALA 35  ? A ALA 36  
20 1 Y 1 A ALA 36  ? A ALA 37  
21 1 Y 1 A SER 37  ? A SER 38  
22 1 Y 1 A GLY 38  ? A GLY 39  
23 1 Y 1 A PRO 39  ? A PRO 40  
24 1 Y 1 A GLU 40  ? A GLU 41  
25 1 Y 1 A ALA 41  ? A ALA 42  
26 1 Y 1 A PRO 42  ? A PRO 43  
27 1 Y 1 A ASP 137 ? A ASP 138 
28 1 Y 1 A ALA 138 ? A ALA 139 
29 1 Y 1 A GLY 139 ? A GLY 140 
30 1 Y 1 A GLY 140 ? A GLY 141 
31 1 Y 1 A GLY 141 ? A GLY 142 
32 1 Y 1 A GLN 142 ? A GLN 143 
33 1 Y 1 A ARG 143 ? A ARG 144 
34 1 Y 1 A ARG 230 ? A ARG 231 
35 1 Y 1 A PRO 231 ? A PRO 232 
36 1 Y 1 A LYS 232 ? A LYS 233 
37 1 Y 1 A GLU 233 ? A GLU 234 
38 1 Y 1 A ALA 234 ? A ALA 235 
39 1 Y 1 A SER 235 ? A SER 236 
40 1 Y 1 A SER 236 ? A SER 237 
41 1 Y 1 A SER 237 ? A SER 238 
42 1 Y 1 A ALA 238 ? A ALA 239 
43 1 Y 1 A SER 239 ? A SER 240 
# 
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 
ACE C    C  N N 1   
ACE O    O  N N 2   
ACE CH3  C  N N 3   
ACE H    H  N N 4   
ACE H1   H  N N 5   
ACE H2   H  N N 6   
ACE H3   H  N N 7   
ALA N    N  N N 8   
ALA CA   C  N S 9   
ALA C    C  N N 10  
ALA O    O  N N 11  
ALA CB   C  N N 12  
ALA OXT  O  N N 13  
ALA H    H  N N 14  
ALA H2   H  N N 15  
ALA HA   H  N N 16  
ALA HB1  H  N N 17  
ALA HB2  H  N N 18  
ALA HB3  H  N N 19  
ALA HXT  H  N N 20  
ARG N    N  N N 21  
ARG CA   C  N S 22  
ARG C    C  N N 23  
ARG O    O  N N 24  
ARG CB   C  N N 25  
ARG CG   C  N N 26  
ARG CD   C  N N 27  
ARG NE   N  N N 28  
ARG CZ   C  N N 29  
ARG NH1  N  N N 30  
ARG NH2  N  N N 31  
ARG OXT  O  N N 32  
ARG H    H  N N 33  
ARG H2   H  N N 34  
ARG HA   H  N N 35  
ARG HB2  H  N N 36  
ARG HB3  H  N N 37  
ARG HG2  H  N N 38  
ARG HG3  H  N N 39  
ARG HD2  H  N N 40  
ARG HD3  H  N N 41  
ARG HE   H  N N 42  
ARG HH11 H  N N 43  
ARG HH12 H  N N 44  
ARG HH21 H  N N 45  
ARG HH22 H  N N 46  
ARG HXT  H  N N 47  
ASN N    N  N N 48  
ASN CA   C  N S 49  
ASN C    C  N N 50  
ASN O    O  N N 51  
ASN CB   C  N N 52  
ASN CG   C  N N 53  
ASN OD1  O  N N 54  
ASN ND2  N  N N 55  
ASN OXT  O  N N 56  
ASN H    H  N N 57  
ASN H2   H  N N 58  
ASN HA   H  N N 59  
ASN HB2  H  N N 60  
ASN HB3  H  N N 61  
ASN HD21 H  N N 62  
ASN HD22 H  N N 63  
ASN HXT  H  N N 64  
ASP N    N  N N 65  
ASP CA   C  N S 66  
ASP C    C  N N 67  
ASP O    O  N N 68  
ASP CB   C  N N 69  
ASP CG   C  N N 70  
ASP OD1  O  N N 71  
ASP OD2  O  N N 72  
ASP OXT  O  N N 73  
ASP H    H  N N 74  
ASP H2   H  N N 75  
ASP HA   H  N N 76  
ASP HB2  H  N N 77  
ASP HB3  H  N N 78  
ASP HD2  H  N N 79  
ASP HXT  H  N N 80  
CO  CO   CO N N 81  
CYS N    N  N N 82  
CYS CA   C  N R 83  
CYS C    C  N N 84  
CYS O    O  N N 85  
CYS CB   C  N N 86  
CYS SG   S  N N 87  
CYS OXT  O  N N 88  
CYS H    H  N N 89  
CYS H2   H  N N 90  
CYS HA   H  N N 91  
CYS HB2  H  N N 92  
CYS HB3  H  N N 93  
CYS HG   H  N N 94  
CYS HXT  H  N N 95  
GLN N    N  N N 96  
GLN CA   C  N S 97  
GLN C    C  N N 98  
GLN O    O  N N 99  
GLN CB   C  N N 100 
GLN CG   C  N N 101 
GLN CD   C  N N 102 
GLN OE1  O  N N 103 
GLN NE2  N  N N 104 
GLN OXT  O  N N 105 
GLN H    H  N N 106 
GLN H2   H  N N 107 
GLN HA   H  N N 108 
GLN HB2  H  N N 109 
GLN HB3  H  N N 110 
GLN HG2  H  N N 111 
GLN HG3  H  N N 112 
GLN HE21 H  N N 113 
GLN HE22 H  N N 114 
GLN HXT  H  N N 115 
GLU N    N  N N 116 
GLU CA   C  N S 117 
GLU C    C  N N 118 
GLU O    O  N N 119 
GLU CB   C  N N 120 
GLU CG   C  N N 121 
GLU CD   C  N N 122 
GLU OE1  O  N N 123 
GLU OE2  O  N N 124 
GLU OXT  O  N N 125 
GLU H    H  N N 126 
GLU H2   H  N N 127 
GLU HA   H  N N 128 
GLU HB2  H  N N 129 
GLU HB3  H  N N 130 
GLU HG2  H  N N 131 
GLU HG3  H  N N 132 
GLU HE2  H  N N 133 
GLU HXT  H  N N 134 
GLY N    N  N N 135 
GLY CA   C  N N 136 
GLY C    C  N N 137 
GLY O    O  N N 138 
GLY OXT  O  N N 139 
GLY H    H  N N 140 
GLY H2   H  N N 141 
GLY HA2  H  N N 142 
GLY HA3  H  N N 143 
GLY HXT  H  N N 144 
GOL C1   C  N N 145 
GOL O1   O  N N 146 
GOL C2   C  N N 147 
GOL O2   O  N N 148 
GOL C3   C  N N 149 
GOL O3   O  N N 150 
GOL H11  H  N N 151 
GOL H12  H  N N 152 
GOL HO1  H  N N 153 
GOL H2   H  N N 154 
GOL HO2  H  N N 155 
GOL H31  H  N N 156 
GOL H32  H  N N 157 
GOL HO3  H  N N 158 
HIS N    N  N N 159 
HIS CA   C  N S 160 
HIS C    C  N N 161 
HIS O    O  N N 162 
HIS CB   C  N N 163 
HIS CG   C  Y N 164 
HIS ND1  N  Y N 165 
HIS CD2  C  Y N 166 
HIS CE1  C  Y N 167 
HIS NE2  N  Y N 168 
HIS OXT  O  N N 169 
HIS H    H  N N 170 
HIS H2   H  N N 171 
HIS HA   H  N N 172 
HIS HB2  H  N N 173 
HIS HB3  H  N N 174 
HIS HD1  H  N N 175 
HIS HD2  H  N N 176 
HIS HE1  H  N N 177 
HIS HE2  H  N N 178 
HIS HXT  H  N N 179 
HOH O    O  N N 180 
HOH H1   H  N N 181 
HOH H2   H  N N 182 
ILE N    N  N N 183 
ILE CA   C  N S 184 
ILE C    C  N N 185 
ILE O    O  N N 186 
ILE CB   C  N S 187 
ILE CG1  C  N N 188 
ILE CG2  C  N N 189 
ILE CD1  C  N N 190 
ILE OXT  O  N N 191 
ILE H    H  N N 192 
ILE H2   H  N N 193 
ILE HA   H  N N 194 
ILE HB   H  N N 195 
ILE HG12 H  N N 196 
ILE HG13 H  N N 197 
ILE HG21 H  N N 198 
ILE HG22 H  N N 199 
ILE HG23 H  N N 200 
ILE HD11 H  N N 201 
ILE HD12 H  N N 202 
ILE HD13 H  N N 203 
ILE HXT  H  N N 204 
LEU N    N  N N 205 
LEU CA   C  N S 206 
LEU C    C  N N 207 
LEU O    O  N N 208 
LEU CB   C  N N 209 
LEU CG   C  N N 210 
LEU CD1  C  N N 211 
LEU CD2  C  N N 212 
LEU OXT  O  N N 213 
LEU H    H  N N 214 
LEU H2   H  N N 215 
LEU HA   H  N N 216 
LEU HB2  H  N N 217 
LEU HB3  H  N N 218 
LEU HG   H  N N 219 
LEU HD11 H  N N 220 
LEU HD12 H  N N 221 
LEU HD13 H  N N 222 
LEU HD21 H  N N 223 
LEU HD22 H  N N 224 
LEU HD23 H  N N 225 
LEU HXT  H  N N 226 
LYS N    N  N N 227 
LYS CA   C  N S 228 
LYS C    C  N N 229 
LYS O    O  N N 230 
LYS CB   C  N N 231 
LYS CG   C  N N 232 
LYS CD   C  N N 233 
LYS CE   C  N N 234 
LYS NZ   N  N N 235 
LYS OXT  O  N N 236 
LYS H    H  N N 237 
LYS H2   H  N N 238 
LYS HA   H  N N 239 
LYS HB2  H  N N 240 
LYS HB3  H  N N 241 
LYS HG2  H  N N 242 
LYS HG3  H  N N 243 
LYS HD2  H  N N 244 
LYS HD3  H  N N 245 
LYS HE2  H  N N 246 
LYS HE3  H  N N 247 
LYS HZ1  H  N N 248 
LYS HZ2  H  N N 249 
LYS HZ3  H  N N 250 
LYS HXT  H  N N 251 
MET N    N  N N 252 
MET CA   C  N S 253 
MET C    C  N N 254 
MET O    O  N N 255 
MET CB   C  N N 256 
MET CG   C  N N 257 
MET SD   S  N N 258 
MET CE   C  N N 259 
MET OXT  O  N N 260 
MET H    H  N N 261 
MET H2   H  N N 262 
MET HA   H  N N 263 
MET HB2  H  N N 264 
MET HB3  H  N N 265 
MET HG2  H  N N 266 
MET HG3  H  N N 267 
MET HE1  H  N N 268 
MET HE2  H  N N 269 
MET HE3  H  N N 270 
MET HXT  H  N N 271 
NH2 N    N  N N 272 
NH2 HN1  H  N N 273 
NH2 HN2  H  N N 274 
PHE N    N  N N 275 
PHE CA   C  N S 276 
PHE C    C  N N 277 
PHE O    O  N N 278 
PHE CB   C  N N 279 
PHE CG   C  Y N 280 
PHE CD1  C  Y N 281 
PHE CD2  C  Y N 282 
PHE CE1  C  Y N 283 
PHE CE2  C  Y N 284 
PHE CZ   C  Y N 285 
PHE OXT  O  N N 286 
PHE H    H  N N 287 
PHE H2   H  N N 288 
PHE HA   H  N N 289 
PHE HB2  H  N N 290 
PHE HB3  H  N N 291 
PHE HD1  H  N N 292 
PHE HD2  H  N N 293 
PHE HE1  H  N N 294 
PHE HE2  H  N N 295 
PHE HZ   H  N N 296 
PHE HXT  H  N N 297 
PRO N    N  N N 298 
PRO CA   C  N S 299 
PRO C    C  N N 300 
PRO O    O  N N 301 
PRO CB   C  N N 302 
PRO CG   C  N N 303 
PRO CD   C  N N 304 
PRO OXT  O  N N 305 
PRO H    H  N N 306 
PRO HA   H  N N 307 
PRO HB2  H  N N 308 
PRO HB3  H  N N 309 
PRO HG2  H  N N 310 
PRO HG3  H  N N 311 
PRO HD2  H  N N 312 
PRO HD3  H  N N 313 
PRO HXT  H  N N 314 
SCN S    S  N N 315 
SCN C    C  N N 316 
SCN N    N  N N 317 
SER N    N  N N 318 
SER CA   C  N S 319 
SER C    C  N N 320 
SER O    O  N N 321 
SER CB   C  N N 322 
SER OG   O  N N 323 
SER OXT  O  N N 324 
SER H    H  N N 325 
SER H2   H  N N 326 
SER HA   H  N N 327 
SER HB2  H  N N 328 
SER HB3  H  N N 329 
SER HG   H  N N 330 
SER HXT  H  N N 331 
THR N    N  N N 332 
THR CA   C  N S 333 
THR C    C  N N 334 
THR O    O  N N 335 
THR CB   C  N R 336 
THR OG1  O  N N 337 
THR CG2  C  N N 338 
THR OXT  O  N N 339 
THR H    H  N N 340 
THR H2   H  N N 341 
THR HA   H  N N 342 
THR HB   H  N N 343 
THR HG1  H  N N 344 
THR HG21 H  N N 345 
THR HG22 H  N N 346 
THR HG23 H  N N 347 
THR HXT  H  N N 348 
TRP N    N  N N 349 
TRP CA   C  N S 350 
TRP C    C  N N 351 
TRP O    O  N N 352 
TRP CB   C  N N 353 
TRP CG   C  Y N 354 
TRP CD1  C  Y N 355 
TRP CD2  C  Y N 356 
TRP NE1  N  Y N 357 
TRP CE2  C  Y N 358 
TRP CE3  C  Y N 359 
TRP CZ2  C  Y N 360 
TRP CZ3  C  Y N 361 
TRP CH2  C  Y N 362 
TRP OXT  O  N N 363 
TRP H    H  N N 364 
TRP H2   H  N N 365 
TRP HA   H  N N 366 
TRP HB2  H  N N 367 
TRP HB3  H  N N 368 
TRP HD1  H  N N 369 
TRP HE1  H  N N 370 
TRP HE3  H  N N 371 
TRP HZ2  H  N N 372 
TRP HZ3  H  N N 373 
TRP HH2  H  N N 374 
TRP HXT  H  N N 375 
TRS C    C  N N 376 
TRS C1   C  N N 377 
TRS C2   C  N N 378 
TRS C3   C  N N 379 
TRS N    N  N N 380 
TRS O1   O  N N 381 
TRS O2   O  N N 382 
TRS O3   O  N N 383 
TRS H11  H  N N 384 
TRS H12  H  N N 385 
TRS H21  H  N N 386 
TRS H22  H  N N 387 
TRS H31  H  N N 388 
TRS H32  H  N N 389 
TRS HN1  H  N N 390 
TRS HN2  H  N N 391 
TRS HN3  H  N N 392 
TRS HO1  H  N N 393 
TRS HO2  H  N N 394 
TRS HO3  H  N N 395 
TYR N    N  N N 396 
TYR CA   C  N S 397 
TYR C    C  N N 398 
TYR O    O  N N 399 
TYR CB   C  N N 400 
TYR CG   C  Y N 401 
TYR CD1  C  Y N 402 
TYR CD2  C  Y N 403 
TYR CE1  C  Y N 404 
TYR CE2  C  Y N 405 
TYR CZ   C  Y N 406 
TYR OH   O  N N 407 
TYR OXT  O  N N 408 
TYR H    H  N N 409 
TYR H2   H  N N 410 
TYR HA   H  N N 411 
TYR HB2  H  N N 412 
TYR HB3  H  N N 413 
TYR HD1  H  N N 414 
TYR HD2  H  N N 415 
TYR HE1  H  N N 416 
TYR HE2  H  N N 417 
TYR HH   H  N N 418 
TYR HXT  H  N N 419 
VAL N    N  N N 420 
VAL CA   C  N S 421 
VAL C    C  N N 422 
VAL O    O  N N 423 
VAL CB   C  N N 424 
VAL CG1  C  N N 425 
VAL CG2  C  N N 426 
VAL OXT  O  N N 427 
VAL H    H  N N 428 
VAL H2   H  N N 429 
VAL HA   H  N N 430 
VAL HB   H  N N 431 
VAL HG11 H  N N 432 
VAL HG12 H  N N 433 
VAL HG13 H  N N 434 
VAL HG21 H  N N 435 
VAL HG22 H  N N 436 
VAL HG23 H  N N 437 
VAL HXT  H  N N 438 
# 
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 
ACE C   O    doub N N 1   
ACE C   CH3  sing N N 2   
ACE C   H    sing N N 3   
ACE CH3 H1   sing N N 4   
ACE CH3 H2   sing N N 5   
ACE CH3 H3   sing N N 6   
ALA N   CA   sing N N 7   
ALA N   H    sing N N 8   
ALA N   H2   sing N N 9   
ALA CA  C    sing N N 10  
ALA CA  CB   sing N N 11  
ALA CA  HA   sing N N 12  
ALA C   O    doub N N 13  
ALA C   OXT  sing N N 14  
ALA CB  HB1  sing N N 15  
ALA CB  HB2  sing N N 16  
ALA CB  HB3  sing N N 17  
ALA OXT HXT  sing N N 18  
ARG N   CA   sing N N 19  
ARG N   H    sing N N 20  
ARG N   H2   sing N N 21  
ARG CA  C    sing N N 22  
ARG CA  CB   sing N N 23  
ARG CA  HA   sing N N 24  
ARG C   O    doub N N 25  
ARG C   OXT  sing N N 26  
ARG CB  CG   sing N N 27  
ARG CB  HB2  sing N N 28  
ARG CB  HB3  sing N N 29  
ARG CG  CD   sing N N 30  
ARG CG  HG2  sing N N 31  
ARG CG  HG3  sing N N 32  
ARG CD  NE   sing N N 33  
ARG CD  HD2  sing N N 34  
ARG CD  HD3  sing N N 35  
ARG NE  CZ   sing N N 36  
ARG NE  HE   sing N N 37  
ARG CZ  NH1  sing N N 38  
ARG CZ  NH2  doub N N 39  
ARG NH1 HH11 sing N N 40  
ARG NH1 HH12 sing N N 41  
ARG NH2 HH21 sing N N 42  
ARG NH2 HH22 sing N N 43  
ARG OXT HXT  sing N N 44  
ASN N   CA   sing N N 45  
ASN N   H    sing N N 46  
ASN N   H2   sing N N 47  
ASN CA  C    sing N N 48  
ASN CA  CB   sing N N 49  
ASN CA  HA   sing N N 50  
ASN C   O    doub N N 51  
ASN C   OXT  sing N N 52  
ASN CB  CG   sing N N 53  
ASN CB  HB2  sing N N 54  
ASN CB  HB3  sing N N 55  
ASN CG  OD1  doub N N 56  
ASN CG  ND2  sing N N 57  
ASN ND2 HD21 sing N N 58  
ASN ND2 HD22 sing N N 59  
ASN OXT HXT  sing N N 60  
ASP N   CA   sing N N 61  
ASP N   H    sing N N 62  
ASP N   H2   sing N N 63  
ASP CA  C    sing N N 64  
ASP CA  CB   sing N N 65  
ASP CA  HA   sing N N 66  
ASP C   O    doub N N 67  
ASP C   OXT  sing N N 68  
ASP CB  CG   sing N N 69  
ASP CB  HB2  sing N N 70  
ASP CB  HB3  sing N N 71  
ASP CG  OD1  doub N N 72  
ASP CG  OD2  sing N N 73  
ASP OD2 HD2  sing N N 74  
ASP OXT HXT  sing N N 75  
CYS N   CA   sing N N 76  
CYS N   H    sing N N 77  
CYS N   H2   sing N N 78  
CYS CA  C    sing N N 79  
CYS CA  CB   sing N N 80  
CYS CA  HA   sing N N 81  
CYS C   O    doub N N 82  
CYS C   OXT  sing N N 83  
CYS CB  SG   sing N N 84  
CYS CB  HB2  sing N N 85  
CYS CB  HB3  sing N N 86  
CYS SG  HG   sing N N 87  
CYS OXT HXT  sing N N 88  
GLN N   CA   sing N N 89  
GLN N   H    sing N N 90  
GLN N   H2   sing N N 91  
GLN CA  C    sing N N 92  
GLN CA  CB   sing N N 93  
GLN CA  HA   sing N N 94  
GLN C   O    doub N N 95  
GLN C   OXT  sing N N 96  
GLN CB  CG   sing N N 97  
GLN CB  HB2  sing N N 98  
GLN CB  HB3  sing N N 99  
GLN CG  CD   sing N N 100 
GLN CG  HG2  sing N N 101 
GLN CG  HG3  sing N N 102 
GLN CD  OE1  doub N N 103 
GLN CD  NE2  sing N N 104 
GLN NE2 HE21 sing N N 105 
GLN NE2 HE22 sing N N 106 
GLN OXT HXT  sing N N 107 
GLU N   CA   sing N N 108 
GLU N   H    sing N N 109 
GLU N   H2   sing N N 110 
GLU CA  C    sing N N 111 
GLU CA  CB   sing N N 112 
GLU CA  HA   sing N N 113 
GLU C   O    doub N N 114 
GLU C   OXT  sing N N 115 
GLU CB  CG   sing N N 116 
GLU CB  HB2  sing N N 117 
GLU CB  HB3  sing N N 118 
GLU CG  CD   sing N N 119 
GLU CG  HG2  sing N N 120 
GLU CG  HG3  sing N N 121 
GLU CD  OE1  doub N N 122 
GLU CD  OE2  sing N N 123 
GLU OE2 HE2  sing N N 124 
GLU OXT HXT  sing N N 125 
GLY N   CA   sing N N 126 
GLY N   H    sing N N 127 
GLY N   H2   sing N N 128 
GLY CA  C    sing N N 129 
GLY CA  HA2  sing N N 130 
GLY CA  HA3  sing N N 131 
GLY C   O    doub N N 132 
GLY C   OXT  sing N N 133 
GLY OXT HXT  sing N N 134 
GOL C1  O1   sing N N 135 
GOL C1  C2   sing N N 136 
GOL C1  H11  sing N N 137 
GOL C1  H12  sing N N 138 
GOL O1  HO1  sing N N 139 
GOL C2  O2   sing N N 140 
GOL C2  C3   sing N N 141 
GOL C2  H2   sing N N 142 
GOL O2  HO2  sing N N 143 
GOL C3  O3   sing N N 144 
GOL C3  H31  sing N N 145 
GOL C3  H32  sing N N 146 
GOL O3  HO3  sing N N 147 
HIS N   CA   sing N N 148 
HIS N   H    sing N N 149 
HIS N   H2   sing N N 150 
HIS CA  C    sing N N 151 
HIS CA  CB   sing N N 152 
HIS CA  HA   sing N N 153 
HIS C   O    doub N N 154 
HIS C   OXT  sing N N 155 
HIS CB  CG   sing N N 156 
HIS CB  HB2  sing N N 157 
HIS CB  HB3  sing N N 158 
HIS CG  ND1  sing Y N 159 
HIS CG  CD2  doub Y N 160 
HIS ND1 CE1  doub Y N 161 
HIS ND1 HD1  sing N N 162 
HIS CD2 NE2  sing Y N 163 
HIS CD2 HD2  sing N N 164 
HIS CE1 NE2  sing Y N 165 
HIS CE1 HE1  sing N N 166 
HIS NE2 HE2  sing N N 167 
HIS OXT HXT  sing N N 168 
HOH O   H1   sing N N 169 
HOH O   H2   sing N N 170 
ILE N   CA   sing N N 171 
ILE N   H    sing N N 172 
ILE N   H2   sing N N 173 
ILE CA  C    sing N N 174 
ILE CA  CB   sing N N 175 
ILE CA  HA   sing N N 176 
ILE C   O    doub N N 177 
ILE C   OXT  sing N N 178 
ILE CB  CG1  sing N N 179 
ILE CB  CG2  sing N N 180 
ILE CB  HB   sing N N 181 
ILE CG1 CD1  sing N N 182 
ILE CG1 HG12 sing N N 183 
ILE CG1 HG13 sing N N 184 
ILE CG2 HG21 sing N N 185 
ILE CG2 HG22 sing N N 186 
ILE CG2 HG23 sing N N 187 
ILE CD1 HD11 sing N N 188 
ILE CD1 HD12 sing N N 189 
ILE CD1 HD13 sing N N 190 
ILE OXT HXT  sing N N 191 
LEU N   CA   sing N N 192 
LEU N   H    sing N N 193 
LEU N   H2   sing N N 194 
LEU CA  C    sing N N 195 
LEU CA  CB   sing N N 196 
LEU CA  HA   sing N N 197 
LEU C   O    doub N N 198 
LEU C   OXT  sing N N 199 
LEU CB  CG   sing N N 200 
LEU CB  HB2  sing N N 201 
LEU CB  HB3  sing N N 202 
LEU CG  CD1  sing N N 203 
LEU CG  CD2  sing N N 204 
LEU CG  HG   sing N N 205 
LEU CD1 HD11 sing N N 206 
LEU CD1 HD12 sing N N 207 
LEU CD1 HD13 sing N N 208 
LEU CD2 HD21 sing N N 209 
LEU CD2 HD22 sing N N 210 
LEU CD2 HD23 sing N N 211 
LEU OXT HXT  sing N N 212 
LYS N   CA   sing N N 213 
LYS N   H    sing N N 214 
LYS N   H2   sing N N 215 
LYS CA  C    sing N N 216 
LYS CA  CB   sing N N 217 
LYS CA  HA   sing N N 218 
LYS C   O    doub N N 219 
LYS C   OXT  sing N N 220 
LYS CB  CG   sing N N 221 
LYS CB  HB2  sing N N 222 
LYS CB  HB3  sing N N 223 
LYS CG  CD   sing N N 224 
LYS CG  HG2  sing N N 225 
LYS CG  HG3  sing N N 226 
LYS CD  CE   sing N N 227 
LYS CD  HD2  sing N N 228 
LYS CD  HD3  sing N N 229 
LYS CE  NZ   sing N N 230 
LYS CE  HE2  sing N N 231 
LYS CE  HE3  sing N N 232 
LYS NZ  HZ1  sing N N 233 
LYS NZ  HZ2  sing N N 234 
LYS NZ  HZ3  sing N N 235 
LYS OXT HXT  sing N N 236 
MET N   CA   sing N N 237 
MET N   H    sing N N 238 
MET N   H2   sing N N 239 
MET CA  C    sing N N 240 
MET CA  CB   sing N N 241 
MET CA  HA   sing N N 242 
MET C   O    doub N N 243 
MET C   OXT  sing N N 244 
MET CB  CG   sing N N 245 
MET CB  HB2  sing N N 246 
MET CB  HB3  sing N N 247 
MET CG  SD   sing N N 248 
MET CG  HG2  sing N N 249 
MET CG  HG3  sing N N 250 
MET SD  CE   sing N N 251 
MET CE  HE1  sing N N 252 
MET CE  HE2  sing N N 253 
MET CE  HE3  sing N N 254 
MET OXT HXT  sing N N 255 
NH2 N   HN1  sing N N 256 
NH2 N   HN2  sing N N 257 
PHE N   CA   sing N N 258 
PHE N   H    sing N N 259 
PHE N   H2   sing N N 260 
PHE CA  C    sing N N 261 
PHE CA  CB   sing N N 262 
PHE CA  HA   sing N N 263 
PHE C   O    doub N N 264 
PHE C   OXT  sing N N 265 
PHE CB  CG   sing N N 266 
PHE CB  HB2  sing N N 267 
PHE CB  HB3  sing N N 268 
PHE CG  CD1  doub Y N 269 
PHE CG  CD2  sing Y N 270 
PHE CD1 CE1  sing Y N 271 
PHE CD1 HD1  sing N N 272 
PHE CD2 CE2  doub Y N 273 
PHE CD2 HD2  sing N N 274 
PHE CE1 CZ   doub Y N 275 
PHE CE1 HE1  sing N N 276 
PHE CE2 CZ   sing Y N 277 
PHE CE2 HE2  sing N N 278 
PHE CZ  HZ   sing N N 279 
PHE OXT HXT  sing N N 280 
PRO N   CA   sing N N 281 
PRO N   CD   sing N N 282 
PRO N   H    sing N N 283 
PRO CA  C    sing N N 284 
PRO CA  CB   sing N N 285 
PRO CA  HA   sing N N 286 
PRO C   O    doub N N 287 
PRO C   OXT  sing N N 288 
PRO CB  CG   sing N N 289 
PRO CB  HB2  sing N N 290 
PRO CB  HB3  sing N N 291 
PRO CG  CD   sing N N 292 
PRO CG  HG2  sing N N 293 
PRO CG  HG3  sing N N 294 
PRO CD  HD2  sing N N 295 
PRO CD  HD3  sing N N 296 
PRO OXT HXT  sing N N 297 
SCN S   C    sing N N 298 
SCN C   N    trip N N 299 
SER N   CA   sing N N 300 
SER N   H    sing N N 301 
SER N   H2   sing N N 302 
SER CA  C    sing N N 303 
SER CA  CB   sing N N 304 
SER CA  HA   sing N N 305 
SER C   O    doub N N 306 
SER C   OXT  sing N N 307 
SER CB  OG   sing N N 308 
SER CB  HB2  sing N N 309 
SER CB  HB3  sing N N 310 
SER OG  HG   sing N N 311 
SER OXT HXT  sing N N 312 
THR N   CA   sing N N 313 
THR N   H    sing N N 314 
THR N   H2   sing N N 315 
THR CA  C    sing N N 316 
THR CA  CB   sing N N 317 
THR CA  HA   sing N N 318 
THR C   O    doub N N 319 
THR C   OXT  sing N N 320 
THR CB  OG1  sing N N 321 
THR CB  CG2  sing N N 322 
THR CB  HB   sing N N 323 
THR OG1 HG1  sing N N 324 
THR CG2 HG21 sing N N 325 
THR CG2 HG22 sing N N 326 
THR CG2 HG23 sing N N 327 
THR OXT HXT  sing N N 328 
TRP N   CA   sing N N 329 
TRP N   H    sing N N 330 
TRP N   H2   sing N N 331 
TRP CA  C    sing N N 332 
TRP CA  CB   sing N N 333 
TRP CA  HA   sing N N 334 
TRP C   O    doub N N 335 
TRP C   OXT  sing N N 336 
TRP CB  CG   sing N N 337 
TRP CB  HB2  sing N N 338 
TRP CB  HB3  sing N N 339 
TRP CG  CD1  doub Y N 340 
TRP CG  CD2  sing Y N 341 
TRP CD1 NE1  sing Y N 342 
TRP CD1 HD1  sing N N 343 
TRP CD2 CE2  doub Y N 344 
TRP CD2 CE3  sing Y N 345 
TRP NE1 CE2  sing Y N 346 
TRP NE1 HE1  sing N N 347 
TRP CE2 CZ2  sing Y N 348 
TRP CE3 CZ3  doub Y N 349 
TRP CE3 HE3  sing N N 350 
TRP CZ2 CH2  doub Y N 351 
TRP CZ2 HZ2  sing N N 352 
TRP CZ3 CH2  sing Y N 353 
TRP CZ3 HZ3  sing N N 354 
TRP CH2 HH2  sing N N 355 
TRP OXT HXT  sing N N 356 
TRS C   C1   sing N N 357 
TRS C   C2   sing N N 358 
TRS C   C3   sing N N 359 
TRS C   N    sing N N 360 
TRS C1  O1   sing N N 361 
TRS C1  H11  sing N N 362 
TRS C1  H12  sing N N 363 
TRS C2  O2   sing N N 364 
TRS C2  H21  sing N N 365 
TRS C2  H22  sing N N 366 
TRS C3  O3   sing N N 367 
TRS C3  H31  sing N N 368 
TRS C3  H32  sing N N 369 
TRS N   HN1  sing N N 370 
TRS N   HN2  sing N N 371 
TRS N   HN3  sing N N 372 
TRS O1  HO1  sing N N 373 
TRS O2  HO2  sing N N 374 
TRS O3  HO3  sing N N 375 
TYR N   CA   sing N N 376 
TYR N   H    sing N N 377 
TYR N   H2   sing N N 378 
TYR CA  C    sing N N 379 
TYR CA  CB   sing N N 380 
TYR CA  HA   sing N N 381 
TYR C   O    doub N N 382 
TYR C   OXT  sing N N 383 
TYR CB  CG   sing N N 384 
TYR CB  HB2  sing N N 385 
TYR CB  HB3  sing N N 386 
TYR CG  CD1  doub Y N 387 
TYR CG  CD2  sing Y N 388 
TYR CD1 CE1  sing Y N 389 
TYR CD1 HD1  sing N N 390 
TYR CD2 CE2  doub Y N 391 
TYR CD2 HD2  sing N N 392 
TYR CE1 CZ   doub Y N 393 
TYR CE1 HE1  sing N N 394 
TYR CE2 CZ   sing Y N 395 
TYR CE2 HE2  sing N N 396 
TYR CZ  OH   sing N N 397 
TYR OH  HH   sing N N 398 
TYR OXT HXT  sing N N 399 
VAL N   CA   sing N N 400 
VAL N   H    sing N N 401 
VAL N   H2   sing N N 402 
VAL CA  C    sing N N 403 
VAL CA  CB   sing N N 404 
VAL CA  HA   sing N N 405 
VAL C   O    doub N N 406 
VAL C   OXT  sing N N 407 
VAL CB  CG1  sing N N 408 
VAL CB  CG2  sing N N 409 
VAL CB  HB   sing N N 410 
VAL CG1 HG11 sing N N 411 
VAL CG1 HG12 sing N N 412 
VAL CG1 HG13 sing N N 413 
VAL CG2 HG21 sing N N 414 
VAL CG2 HG22 sing N N 415 
VAL CG2 HG23 sing N N 416 
VAL OXT HXT  sing N N 417 
# 
_pdbx_audit_support.funding_organization   'National Health and Medical Research Council (NHMRC, Australia)' 
_pdbx_audit_support.country                Australia 
_pdbx_audit_support.grant_number           2008546 
_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   7REI 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 2 21 21' 
_space_group.name_Hall        'P 2 2ab (z,x,y)' 
_space_group.IT_number        18 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9DXU 
_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]   0.027692 
_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]   0.013966 
_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]   0.009185 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C  ? ? 3.54356  2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
CO ? ? 21.85313 5.04979 ? ? 2.45200  36.11361 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N  ? ? 4.01032  2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O  ? ? 4.49882  3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S  ? ? 9.55732  6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
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   . MET A 1 7   ? -13.54121 -23.28827 44.04304  1.000 53.75198  ? 6   MET A N   1 
ATOM   2    C  CA  . MET A 1 7   ? -12.31443 -23.85508 44.59706  1.000 61.62399  ? 6   MET A CA  1 
ATOM   3    C  C   . MET A 1 7   ? -11.20939 -23.99486 43.53686  1.000 56.06242  ? 6   MET A C   1 
ATOM   4    O  O   . MET A 1 7   ? -10.07019 -23.58499 43.75356  1.000 56.33824  ? 6   MET A O   1 
ATOM   5    C  CB  . MET A 1 7   ? -12.60327 -25.21447 45.24132  1.000 53.49653  ? 6   MET A CB  1 
ATOM   6    C  CG  . MET A 1 7   ? -13.03350 -25.11112 46.68976  0.000 62.83140  ? 6   MET A CG  1 
ATOM   7    S  SD  . MET A 1 7   ? -11.61733 -25.13119 47.80138  1.000 86.76705  ? 6   MET A SD  1 
ATOM   8    C  CE  . MET A 1 7   ? -11.65072 -23.43675 48.39042  1.000 66.30889  ? 6   MET A CE  1 
ATOM   9    N  N   . ALA A 1 8   ? -11.54943 -24.58497 42.39576  1.000 39.77549  ? 7   ALA A N   1 
ATOM   10   C  CA  . ALA A 1 8   ? -10.59922 -24.72654 41.29902  1.000 33.52991  ? 7   ALA A CA  1 
ATOM   11   C  C   . ALA A 1 8   ? -10.36986 -23.38600 40.60968  1.000 35.96645  ? 7   ALA A C   1 
ATOM   12   O  O   . ALA A 1 8   ? -11.29584 -22.58486 40.44951  1.000 38.97150  ? 7   ALA A O   1 
ATOM   13   C  CB  . ALA A 1 8   ? -11.10913 -25.75443 40.28578  1.000 32.35034  ? 7   ALA A CB  1 
ATOM   14   N  N   . SER A 1 9   ? -9.12851  -23.15416 40.18098  1.000 36.10742  ? 8   SER A N   1 
ATOM   15   C  CA  . SER A 1 9   ? -8.80676  -21.95847 39.42022  1.000 26.26547  ? 8   SER A CA  1 
ATOM   16   C  C   . SER A 1 9   ? -9.63182  -21.90200 38.13451  1.000 23.73688  ? 8   SER A C   1 
ATOM   17   O  O   . SER A 1 9   ? -10.09212 -22.91985 37.59728  1.000 25.17499  ? 8   SER A O   1 
ATOM   18   C  CB  . SER A 1 9   ? -7.31424  -21.91937 39.08054  1.000 30.96088  ? 8   SER A CB  1 
ATOM   19   O  OG  . SER A 1 9   ? -6.98876  -22.94908 38.15504  1.000 32.21493  ? 8   SER A OG  1 
ATOM   20   N  N   . LEU A 1 10  ? -9.81581  -20.68783 37.62992  1.000 24.88610  ? 9   LEU A N   1 
ATOM   21   C  CA  . LEU A 1 10  ? -10.57324 -20.54086 36.38962  1.000 22.72906  ? 9   LEU A CA  1 
ATOM   22   C  C   . LEU A 1 10  ? -9.88986  -21.26780 35.23582  1.000 22.12575  ? 9   LEU A C   1 
ATOM   23   O  O   . LEU A 1 10  ? -10.56029 -21.89353 34.40666  1.000 20.83503  ? 9   LEU A O   1 
ATOM   24   C  CB  . LEU A 1 10  ? -10.76952 -19.06244 36.06829  1.000 23.87780  ? 9   LEU A CB  1 
ATOM   25   C  CG  . LEU A 1 10  ? -11.52362 -18.71125 34.78650  1.000 23.50844  ? 9   LEU A CG  1 
ATOM   26   C  CD1 . LEU A 1 10  ? -12.89817 -19.39837 34.73499  1.000 23.46683  ? 9   LEU A CD1 1 
ATOM   27   C  CD2 . LEU A 1 10  ? -11.66615 -17.20201 34.71930  1.000 23.64682  ? 9   LEU A CD2 1 
ATOM   28   N  N   . ILE A 1 11  ? -8.55602  -21.23201 35.17580  1.000 18.33317  ? 10  ILE A N   1 
ATOM   29   C  CA  . ILE A 1 11  ? -7.89967  -21.91034 34.05572  1.000 18.06561  ? 10  ILE A CA  1 
ATOM   30   C  C   . ILE A 1 11  ? -8.07799  -23.42576 34.15870  1.000 21.95685  ? 10  ILE A C   1 
ATOM   31   O  O   . ILE A 1 11  ? -8.28321  -24.09673 33.14707  1.000 20.70869  ? 10  ILE A O   1 
ATOM   32   C  CB  . ILE A 1 11  ? -6.42047  -21.49789 33.93264  1.000 22.52541  ? 10  ILE A CB  1 
ATOM   33   C  CG1 . ILE A 1 11  ? -5.85200  -22.01259 32.61469  1.000 17.35268  ? 10  ILE A CG1 1 
ATOM   34   C  CG2 . ILE A 1 11  ? -5.56704  -21.99071 35.11510  1.000 20.33415  ? 10  ILE A CG2 1 
ATOM   35   C  CD1 . ILE A 1 11  ? -6.64029  -21.53255 31.39798  1.000 19.01542  ? 10  ILE A CD1 1 
ATOM   36   N  N   . GLN A 1 12  ? -8.07804  -23.98781 35.37474  1.000 18.72595  ? 11  GLN A N   1 
ATOM   37   C  CA  . GLN A 1 12  ? -8.39508  -25.41004 35.50456  1.000 19.86766  ? 11  GLN A CA  1 
ATOM   38   C  C   . GLN A 1 12  ? -9.83421  -25.69115 35.08319  1.000 23.95997  ? 11  GLN A C   1 
ATOM   39   O  O   . GLN A 1 12  ? -10.11034 -26.70471 34.42927  1.000 25.42557  ? 11  GLN A O   1 
ATOM   40   C  CB  . GLN A 1 12  ? -8.16590  -25.88827 36.93979  1.000 26.60570  ? 11  GLN A CB  1 
ATOM   41   C  CG  . GLN A 1 12  ? -8.59876  -27.33864 37.19990  1.000 31.57770  ? 11  GLN A CG  1 
ATOM   42   C  CD  . GLN A 1 12  ? -7.55568  -28.36532 36.73641  1.000 30.94496  ? 11  GLN A CD  1 
ATOM   43   O  OE1 . GLN A 1 12  ? -6.35384  -28.13879 36.83656  1.000 32.57887  ? 11  GLN A OE1 1 
ATOM   44   N  NE2 . GLN A 1 12  ? -8.02671  -29.52075 36.27326  1.000 37.36956  ? 11  GLN A NE2 1 
ATOM   45   N  N   . ARG A 1 13  ? -10.76887 -24.80694 35.44376  1.000 17.90425  ? 12  ARG A N   1 
ATOM   46   C  CA  A ARG A 1 13  ? -12.16163 -25.02336 35.06131  0.500 20.20368  ? 12  ARG A CA  1 
ATOM   47   C  CA  B ARG A 1 13  ? -12.16311 -25.01888 35.06106  0.500 20.20776  ? 12  ARG A CA  1 
ATOM   48   C  C   . ARG A 1 13  ? -12.32618 -24.96053 33.54574  1.000 23.09334  ? 12  ARG A C   1 
ATOM   49   O  O   . ARG A 1 13  ? -13.12355 -25.71238 32.96920  1.000 23.74191  ? 12  ARG A O   1 
ATOM   50   C  CB  A ARG A 1 13  ? -13.06336 -23.99346 35.74322  0.500 24.17176  ? 12  ARG A CB  1 
ATOM   51   C  CB  B ARG A 1 13  ? -13.05958 -23.97786 35.73171  0.500 24.16930  ? 12  ARG A CB  1 
ATOM   52   C  CG  A ARG A 1 13  ? -13.27126 -24.22393 37.23682  0.500 27.91080  ? 12  ARG A CG  1 
ATOM   53   C  CG  B ARG A 1 13  ? -13.14220 -24.09236 37.24673  0.500 27.69973  ? 12  ARG A CG  1 
ATOM   54   C  CD  A ARG A 1 13  ? -14.16095 -23.13225 37.83698  0.500 32.97941  ? 12  ARG A CD  1 
ATOM   55   C  CD  B ARG A 1 13  ? -14.01783 -22.98018 37.82519  0.500 32.78889  ? 12  ARG A CD  1 
ATOM   56   N  NE  A ARG A 1 13  ? -13.39151 -22.05591 38.45110  0.500 30.95482  ? 12  ARG A NE  1 
ATOM   57   N  NE  B ARG A 1 13  ? -15.38848 -23.03880 37.32818  0.500 34.20306  ? 12  ARG A NE  1 
ATOM   58   C  CZ  A ARG A 1 13  ? -13.74095 -20.77590 38.44051  0.500 29.74688  ? 12  ARG A CZ  1 
ATOM   59   C  CZ  B ARG A 1 13  ? -16.13784 -21.97783 37.05644  0.500 36.50325  ? 12  ARG A CZ  1 
ATOM   60   N  NH1 A ARG A 1 13  ? -14.83348 -20.36185 37.82040  0.500 35.31780  ? 12  ARG A NH1 1 
ATOM   61   N  NH1 B ARG A 1 13  ? -15.66800 -20.74745 37.18342  0.500 32.79386  ? 12  ARG A NH1 1 
ATOM   62   N  NH2 A ARG A 1 13  ? -12.97971 -19.89073 39.07824  0.500 33.63138  ? 12  ARG A NH2 1 
ATOM   63   N  NH2 B ARG A 1 13  ? -17.39152 -22.15650 36.64875  0.500 27.84223  ? 12  ARG A NH2 1 
ATOM   64   N  N   . ILE A 1 14  ? -11.58430 -24.06529 32.89235  1.000 21.54727  ? 13  ILE A N   1 
ATOM   65   C  CA  . ILE A 1 14  ? -11.61712 -23.96391 31.43609  1.000 19.34942  ? 13  ILE A CA  1 
ATOM   66   C  C   . ILE A 1 14  ? -11.09396 -25.25121 30.80813  1.000 20.33315  ? 13  ILE A C   1 
ATOM   67   O  O   . ILE A 1 14  ? -11.70356 -25.80397 29.88746  1.000 20.83290  ? 13  ILE A O   1 
ATOM   68   C  CB  . ILE A 1 14  ? -10.81160 -22.73350 30.97113  1.000 16.69100  ? 13  ILE A CB  1 
ATOM   69   C  CG1 . ILE A 1 14  ? -11.59802 -21.43542 31.22983  1.000 18.15267  ? 13  ILE A CG1 1 
ATOM   70   C  CG2 . ILE A 1 14  ? -10.44255 -22.83782 29.49547  1.000 20.98340  ? 13  ILE A CG2 1 
ATOM   71   C  CD1 . ILE A 1 14  ? -10.71791 -20.18189 31.11248  1.000 20.19875  ? 13  ILE A CD1 1 
ATOM   72   N  N   . ALA A 1 15  ? -9.95494  -25.74712 31.29768  1.000 18.23636  ? 14  ALA A N   1 
ATOM   73   C  CA  . ALA A 1 15  ? -9.40705  -27.00035 30.78534  1.000 22.39032  ? 14  ALA A CA  1 
ATOM   74   C  C   . ALA A 1 15  ? -10.38707 -28.15302 30.98069  1.000 21.59137  ? 14  ALA A C   1 
ATOM   75   O  O   . ALA A 1 15  ? -10.57118 -28.97488 30.08011  1.000 23.19261  ? 14  ALA A O   1 
ATOM   76   C  CB  . ALA A 1 15  ? -8.07118  -27.32138 31.46184  1.000 22.02600  ? 14  ALA A CB  1 
ATOM   77   N  N   A ARG A 1 16  ? -11.02325 -28.23042 32.15362  0.430 21.26052  ? 15  ARG A N   1 
ATOM   78   N  N   B ARG A 1 16  ? -11.00348 -28.24588 32.16066  0.570 21.22285  ? 15  ARG A N   1 
ATOM   79   C  CA  A ARG A 1 16  ? -11.97836 -29.30523 32.39741  0.430 23.33438  ? 15  ARG A CA  1 
ATOM   80   C  CA  B ARG A 1 16  ? -11.98172 -29.30217 32.38542  0.570 23.33425  ? 15  ARG A CA  1 
ATOM   81   C  C   A ARG A 1 16  ? -13.17715 -29.19626 31.45934  0.430 23.42692  ? 15  ARG A C   1 
ATOM   82   C  C   B ARG A 1 16  ? -13.14277 -29.18811 31.40670  0.570 23.38215  ? 15  ARG A C   1 
ATOM   83   O  O   A ARG A 1 16  ? -13.66791 -30.20873 30.94502  0.430 25.97100  ? 15  ARG A O   1 
ATOM   84   O  O   B ARG A 1 16  ? -13.57449 -30.18748 30.81950  0.570 25.90622  ? 15  ARG A O   1 
ATOM   85   C  CB  A ARG A 1 16  ? -12.42365 -29.28646 33.86263  0.430 24.39591  ? 15  ARG A CB  1 
ATOM   86   C  CB  B ARG A 1 16  ? -12.48737 -29.24164 33.82410  0.570 24.35560  ? 15  ARG A CB  1 
ATOM   87   C  CG  A ARG A 1 16  ? -13.63617 -30.14681 34.17540  0.430 26.80068  ? 15  ARG A CG  1 
ATOM   88   C  CG  B ARG A 1 16  ? -11.49317 -29.76774 34.83504  0.570 23.34463  ? 15  ARG A CG  1 
ATOM   89   C  CD  A ARG A 1 16  ? -13.51029 -30.83012 35.52932  0.430 27.52296  ? 15  ARG A CD  1 
ATOM   90   C  CD  B ARG A 1 16  ? -12.18559 -30.02953 36.16028  0.570 28.91576  ? 15  ARG A CD  1 
ATOM   91   N  NE  A ARG A 1 16  ? -14.50162 -31.88581 35.69860  0.430 31.88245  ? 15  ARG A NE  1 
ATOM   92   N  NE  B ARG A 1 16  ? -11.24171 -30.16284 37.26013  0.570 36.47166  ? 15  ARG A NE  1 
ATOM   93   C  CZ  A ARG A 1 16  ? -15.09147 -32.18762 36.84804  0.430 32.65202  ? 15  ARG A CZ  1 
ATOM   94   C  CZ  B ARG A 1 16  ? -11.38715 -29.56805 38.43518  0.570 35.04475  ? 15  ARG A CZ  1 
ATOM   95   N  NH1 A ARG A 1 16  ? -14.76738 -31.57541 37.97392  0.430 38.93649  ? 15  ARG A NH1 1 
ATOM   96   N  NH1 B ARG A 1 16  ? -12.40536 -28.75726 38.67622  0.570 34.24192  ? 15  ARG A NH1 1 
ATOM   97   N  NH2 A ARG A 1 16  ? -16.02836 -33.13071 36.86841  0.430 36.81243  ? 15  ARG A NH2 1 
ATOM   98   N  NH2 B ARG A 1 16  ? -10.48866 -29.79092 39.39051  0.570 38.74882  ? 15  ARG A NH2 1 
ATOM   99   N  N   . GLN A 1 17  ? -13.65222 -27.97431 31.21084  1.000 21.15480  ? 16  GLN A N   1 
ATOM   100  C  CA  . GLN A 1 17  ? -14.80141 -27.80388 30.33182  1.000 22.22723  ? 16  GLN A CA  1 
ATOM   101  C  C   . GLN A 1 17  ? -14.41763 -28.03952 28.87849  1.000 23.19630  ? 16  GLN A C   1 
ATOM   102  O  O   . GLN A 1 17  ? -15.22443 -28.57254 28.10831  1.000 22.64439  ? 16  GLN A O   1 
ATOM   103  C  CB  . GLN A 1 17  ? -15.40050 -26.41555 30.52694  1.000 20.73682  ? 16  GLN A CB  1 
ATOM   104  C  CG  . GLN A 1 17  ? -16.68023 -26.14372 29.70363  1.000 20.52136  ? 16  GLN A CG  1 
ATOM   105  C  CD  . GLN A 1 17  ? -17.83815 -27.07478 30.03726  1.000 27.50556  ? 16  GLN A CD  1 
ATOM   106  O  OE1 . GLN A 1 17  ? -18.01122 -27.50994 31.18580  1.000 27.80500  ? 16  GLN A OE1 1 
ATOM   107  N  NE2 . GLN A 1 17  ? -18.65675 -27.37821 29.02945  1.000 26.85656  ? 16  GLN A NE2 1 
ATOM   108  N  N   . ALA A 1 18  ? -13.19028 -27.67758 28.48842  1.000 21.41011  ? 17  ALA A N   1 
ATOM   109  C  CA  . ALA A 1 18  ? -12.72288 -28.01335 27.14552  1.000 21.67468  ? 17  ALA A CA  1 
ATOM   110  C  C   . ALA A 1 18  ? -12.67237 -29.52259 26.94556  1.000 22.56765  ? 17  ALA A C   1 
ATOM   111  O  O   . ALA A 1 18  ? -12.99410 -30.02775 25.86161  1.000 21.20401  ? 17  ALA A O   1 
ATOM   112  C  CB  . ALA A 1 18  ? -11.34099 -27.39907 26.88122  1.000 19.13822  ? 17  ALA A CB  1 
ATOM   113  N  N   . SER A 1 19  ? -12.27693 -30.26640 27.98470  1.000 21.12559  ? 18  SER A N   1 
ATOM   114  C  CA  . SER A 1 19  ? -12.20815 -31.71783 27.85666  1.000 23.89135  ? 18  SER A CA  1 
ATOM   115  C  C   . SER A 1 19  ? -13.59515 -32.32885 27.70078  1.000 28.75125  ? 18  SER A C   1 
ATOM   116  O  O   . SER A 1 19  ? -13.77572 -33.28863 26.94273  1.000 36.29582  ? 18  SER A O   1 
ATOM   117  C  CB  . SER A 1 19  ? -11.50003 -32.32436 29.06253  1.000 27.55911  ? 18  SER A CB  1 
ATOM   118  O  OG  . SER A 1 19  ? -11.03536 -33.62848 28.74126  1.000 41.33509  ? 18  SER A OG  1 
ATOM   119  N  N   . LEU A 1 20  ? -14.57612 -31.79618 28.42773  1.000 26.37663  ? 19  LEU A N   1 
ATOM   120  C  CA  A LEU A 1 20  ? -15.95666 -32.24550 28.27174  0.580 29.74129  ? 19  LEU A CA  1 
ATOM   121  C  CA  B LEU A 1 20  ? -15.95313 -32.24479 28.27229  0.420 29.73281  ? 19  LEU A CA  1 
ATOM   122  C  C   . LEU A 1 20  ? -16.49520 -31.90332 26.88884  1.000 28.49862  ? 19  LEU A C   1 
ATOM   123  O  O   . LEU A 1 20  ? -17.22207 -32.70377 26.28274  1.000 29.80447  ? 19  LEU A O   1 
ATOM   124  C  CB  A LEU A 1 20  ? -16.83985 -31.60233 29.34069  0.580 31.02355  ? 19  LEU A CB  1 
ATOM   125  C  CB  B LEU A 1 20  ? -16.81550 -31.60637 29.35729  0.420 31.01289  ? 19  LEU A CB  1 
ATOM   126  C  CG  A LEU A 1 20  ? -16.92954 -32.24480 30.72009  0.580 34.24139  ? 19  LEU A CG  1 
ATOM   127  C  CG  B LEU A 1 20  ? -18.24711 -32.09406 29.49516  0.420 31.19759  ? 19  LEU A CG  1 
ATOM   128  C  CD1 A LEU A 1 20  ? -17.84629 -31.40580 31.59789  0.580 30.62354  ? 19  LEU A CD1 1 
ATOM   129  C  CD1 B LEU A 1 20  ? -18.25939 -33.56815 29.85070  0.420 34.97483  ? 19  LEU A CD1 1 
ATOM   130  C  CD2 A LEU A 1 20  ? -17.41183 -33.68323 30.62970  0.580 33.25657  ? 19  LEU A CD2 1 
ATOM   131  C  CD2 B LEU A 1 20  ? -18.95263 -31.26449 30.55147  0.420 30.95201  ? 19  LEU A CD2 1 
ATOM   132  N  N   . THR A 1 21  ? -16.15185 -30.71707 26.37933  1.000 25.57753  ? 20  THR A N   1 
ATOM   133  C  CA  . THR A 1 21  ? -16.69991 -30.24763 25.11163  1.000 23.64715  ? 20  THR A CA  1 
ATOM   134  C  C   . THR A 1 21  ? -16.11187 -31.00697 23.93018  1.000 28.80112  ? 20  THR A C   1 
ATOM   135  O  O   . THR A 1 21  ? -16.84398 -31.39753 23.01514  1.000 29.59682  ? 20  THR A O   1 
ATOM   136  C  CB  . THR A 1 21  ? -16.45551 -28.74494 24.96097  1.000 23.61270  ? 20  THR A CB  1 
ATOM   137  O  OG1 . THR A 1 21  ? -17.06260 -28.04302 26.04896  1.000 22.94451  ? 20  THR A OG1 1 
ATOM   138  C  CG2 . THR A 1 21  ? -17.03250 -28.21155 23.64939  1.000 22.54712  ? 20  THR A CG2 1 
ATOM   139  N  N   . PHE A 1 22  ? -14.79982 -31.24851 23.92906  1.000 25.37890  ? 21  PHE A N   1 
ATOM   140  C  CA  . PHE A 1 22  ? -14.16956 -31.76262 22.72323  1.000 31.49415  ? 21  PHE A CA  1 
ATOM   141  C  C   . PHE A 1 22  ? -13.78066 -33.23943 22.77793  1.000 37.77376  ? 21  PHE A C   1 
ATOM   142  O  O   . PHE A 1 22  ? -13.40472 -33.79325 21.73584  1.000 43.69279  ? 21  PHE A O   1 
ATOM   143  C  CB  . PHE A 1 22  ? -12.97109 -30.87143 22.38474  1.000 27.47639  ? 21  PHE A CB  1 
ATOM   144  C  CG  . PHE A 1 22  ? -13.38716 -29.49748 21.94688  1.000 24.47411  ? 21  PHE A CG  1 
ATOM   145  C  CD1 . PHE A 1 22  ? -14.12293 -29.31697 20.77961  1.000 21.80748  ? 21  PHE A CD1 1 
ATOM   146  C  CD2 . PHE A 1 22  ? -13.11550 -28.39786 22.72383  1.000 20.72731  ? 21  PHE A CD2 1 
ATOM   147  C  CE1 . PHE A 1 22  ? -14.52577 -28.05488 20.38990  1.000 20.95232  ? 21  PHE A CE1 1 
ATOM   148  C  CE2 . PHE A 1 22  ? -13.52209 -27.12787 22.33173  1.000 27.57595  ? 21  PHE A CE2 1 
ATOM   149  C  CZ  . PHE A 1 22  ? -14.23078 -26.96135 21.16726  1.000 21.96412  ? 21  PHE A CZ  1 
ATOM   150  N  N   . ARG A 1 23  ? -13.89477 -33.89112 23.93932  1.000 40.95834  ? 22  ARG A N   1 
ATOM   151  C  CA  . ARG A 1 23  ? -13.70498 -35.34981 24.12558  1.000 47.93661  ? 22  ARG A CA  1 
ATOM   152  C  C   . ARG A 1 23  ? -13.11378 -36.13829 22.95109  1.000 59.51077  ? 22  ARG A C   1 
ATOM   153  O  O   . ARG A 1 23  ? -11.89775 -36.16322 22.75207  1.000 60.69302  ? 22  ARG A O   1 
ATOM   154  C  CB  . ARG A 1 23  ? -15.03979 -35.99773 24.50498  1.000 47.03522  ? 22  ARG A CB  1 
ATOM   155  C  CG  . ARG A 1 23  ? -15.37165 -35.93542 25.98992  1.000 48.01012  ? 22  ARG A CG  1 
ATOM   156  C  CD  . ARG A 1 23  ? -16.21391 -37.14287 26.40252  1.000 54.84841  ? 22  ARG A CD  1 
ATOM   157  N  NE  . ARG A 1 23  ? -16.07678 -37.45269 27.82104  0.000 49.76748  ? 22  ARG A NE  1 
ATOM   158  C  CZ  . ARG A 1 23  ? -16.98362 -37.16335 28.74401  0.000 48.87725  ? 22  ARG A CZ  1 
ATOM   159  N  NH1 . ARG A 1 23  ? -18.12201 -36.56705 28.43135  0.000 45.65376  ? 22  ARG A NH1 1 
ATOM   160  N  NH2 . ARG A 1 23  ? -16.74471 -37.48593 30.01189  0.000 49.80394  ? 22  ARG A NH2 1 
ATOM   161  N  N   . MET A 1 44  ? -22.05428 -32.87674 14.85835  0.000 61.08753  ? 43  MET A N   1 
ATOM   162  C  CA  . MET A 1 44  ? -21.89176 -32.58036 16.27856  0.000 62.05226  ? 43  MET A CA  1 
ATOM   163  C  C   . MET A 1 44  ? -22.71149 -33.50441 17.16286  1.000 63.98906  ? 43  MET A C   1 
ATOM   164  O  O   . MET A 1 44  ? -23.93690 -33.54116 17.07294  1.000 73.01814  ? 43  MET A O   1 
ATOM   165  C  CB  . MET A 1 44  ? -22.26348 -31.12464 16.56316  1.000 57.61847  ? 43  MET A CB  1 
ATOM   166  C  CG  . MET A 1 44  ? -21.36207 -30.07234 15.88883  1.000 56.42265  ? 43  MET A CG  1 
ATOM   167  S  SD  . MET A 1 44  ? -19.71122 -30.52996 15.26013  1.000 76.11395  ? 43  MET A SD  1 
ATOM   168  C  CE  . MET A 1 44  ? -18.86729 -31.25779 16.68127  1.000 51.89384  ? 43  MET A CE  1 
ATOM   169  N  N   . GLN A 1 45  ? -22.00622 -34.23605 18.02847  1.000 76.19661  ? 44  GLN A N   1 
ATOM   170  C  CA  . GLN A 1 45  ? -22.62972 -35.17984 18.94415  1.000 74.12404  ? 44  GLN A CA  1 
ATOM   171  C  C   . GLN A 1 45  ? -23.59729 -34.45891 19.88689  1.000 69.71055  ? 44  GLN A C   1 
ATOM   172  O  O   . GLN A 1 45  ? -23.51748 -33.23874 20.06143  1.000 60.24677  ? 44  GLN A O   1 
ATOM   173  C  CB  . GLN A 1 45  ? -21.55198 -35.91537 19.74581  1.000 65.68371  ? 44  GLN A CB  1 
ATOM   174  C  CG  . GLN A 1 45  ? -20.99576 -37.17083 19.06694  1.000 77.93798  ? 44  GLN A CG  1 
ATOM   175  C  CD  . GLN A 1 45  ? -20.89721 -37.04960 17.55503  0.000 67.28220  ? 44  GLN A CD  1 
ATOM   176  O  OE1 . GLN A 1 45  ? -21.59988 -37.74336 16.81928  0.000 66.24563  ? 44  GLN A OE1 1 
ATOM   177  N  NE2 . GLN A 1 45  ? -20.00987 -36.17961 17.08514  0.000 66.16445  ? 44  GLN A NE2 1 
ATOM   178  N  N   . PRO A 1 46  ? -24.54046 -35.18915 20.48964  1.000 69.56183  ? 45  PRO A N   1 
ATOM   179  C  CA  . PRO A 1 46  ? -25.44619 -34.55414 21.45721  1.000 61.15576  ? 45  PRO A CA  1 
ATOM   180  C  C   . PRO A 1 46  ? -24.68658 -34.02520 22.66484  1.000 60.06268  ? 45  PRO A C   1 
ATOM   181  O  O   . PRO A 1 46  ? -23.72197 -34.63307 23.13482  1.000 61.05786  ? 45  PRO A O   1 
ATOM   182  C  CB  . PRO A 1 46  ? -26.41224 -35.68341 21.84035  1.000 61.31366  ? 45  PRO A CB  1 
ATOM   183  C  CG  . PRO A 1 46  ? -26.34916 -36.63093 20.69626  1.000 61.43269  ? 45  PRO A CG  1 
ATOM   184  C  CD  . PRO A 1 46  ? -24.92511 -36.58523 20.22297  1.000 66.54515  ? 45  PRO A CD  1 
ATOM   185  N  N   . GLY A 1 47  ? -25.13074 -32.86683 23.15672  1.000 47.51713  ? 46  GLY A N   1 
ATOM   186  C  CA  . GLY A 1 47  ? -24.49032 -32.18499 24.25648  1.000 35.26425  ? 46  GLY A CA  1 
ATOM   187  C  C   . GLY A 1 47  ? -23.42648 -31.18811 23.85054  1.000 33.18350  ? 46  GLY A C   1 
ATOM   188  O  O   . GLY A 1 47  ? -23.06597 -30.32221 24.65974  1.000 34.49706  ? 46  GLY A O   1 
ATOM   189  N  N   . PHE A 1 48  ? -22.90798 -31.28967 22.62536  1.000 31.91658  ? 47  PHE A N   1 
ATOM   190  C  CA  . PHE A 1 48  ? -21.84024 -30.39006 22.19606  1.000 28.38484  ? 47  PHE A CA  1 
ATOM   191  C  C   . PHE A 1 48  ? -22.22159 -28.91579 22.28252  1.000 26.66622  ? 47  PHE A C   1 
ATOM   192  O  O   . PHE A 1 48  ? -21.44431 -28.14054 22.86850  1.000 24.85614  ? 47  PHE A O   1 
ATOM   193  C  CB  . PHE A 1 48  ? -21.38096 -30.76250 20.78251  1.000 34.41538  ? 47  PHE A CB  1 
ATOM   194  C  CG  . PHE A 1 48  ? -20.34712 -29.82594 20.22692  1.000 27.26536  ? 47  PHE A CG  1 
ATOM   195  C  CD1 . PHE A 1 48  ? -19.03202 -29.88329 20.65922  1.000 25.75648  ? 47  PHE A CD1 1 
ATOM   196  C  CD2 . PHE A 1 48  ? -20.69700 -28.86651 19.29060  1.000 29.79002  ? 47  PHE A CD2 1 
ATOM   197  C  CE1 . PHE A 1 48  ? -18.08548 -29.00561 20.16545  1.000 28.48802  ? 47  PHE A CE1 1 
ATOM   198  C  CE2 . PHE A 1 48  ? -19.75478 -27.98873 18.79247  1.000 29.85498  ? 47  PHE A CE2 1 
ATOM   199  C  CZ  . PHE A 1 48  ? -18.44297 -28.06147 19.23633  1.000 27.46754  ? 47  PHE A CZ  1 
ATOM   200  N  N   . PRO A 1 49  ? -23.36946 -28.45716 21.75902  1.000 28.56927  ? 48  PRO A N   1 
ATOM   201  C  CA  . PRO A 1 49  ? -23.62683 -27.00743 21.79633  1.000 27.35706  ? 48  PRO A CA  1 
ATOM   202  C  C   . PRO A 1 49  ? -23.72529 -26.44493 23.20207  1.000 26.14406  ? 48  PRO A C   1 
ATOM   203  O  O   . PRO A 1 49  ? -23.15992 -25.37744 23.47043  1.000 26.33200  ? 48  PRO A O   1 
ATOM   204  C  CB  . PRO A 1 49  ? -24.95108 -26.85812 21.03111  1.000 30.80880  ? 48  PRO A CB  1 
ATOM   205  C  CG  . PRO A 1 49  ? -25.17123 -28.17250 20.33264  1.000 36.94872  ? 48  PRO A CG  1 
ATOM   206  C  CD  . PRO A 1 49  ? -24.52275 -29.19111 21.20381  1.000 35.47278  ? 48  PRO A CD  1 
ATOM   207  N  N   . GLU A 1 50  ? -24.41458 -27.13485 24.11690  1.000 28.77208  ? 49  GLU A N   1 
ATOM   208  C  CA  . GLU A 1 50  ? -24.49235 -26.62743 25.48532  1.000 26.83656  ? 49  GLU A CA  1 
ATOM   209  C  C   . GLU A 1 50  ? -23.11058 -26.56808 26.12661  1.000 31.72228  ? 49  GLU A C   1 
ATOM   210  O  O   . GLU A 1 50  ? -22.79568 -25.61683 26.85252  1.000 27.32042  ? 49  GLU A O   1 
ATOM   211  C  CB  . GLU A 1 50  ? -25.43188 -27.47427 26.36183  1.000 30.76501  ? 49  GLU A CB  1 
ATOM   212  C  CG  . GLU A 1 50  ? -26.90774 -27.78594 25.90858  1.000 44.75807  ? 49  GLU A CG  1 
ATOM   213  C  CD  . GLU A 1 50  ? -27.10915 -28.27693 24.46861  1.000 53.05216  ? 49  GLU A CD  1 
ATOM   214  O  OE1 . GLU A 1 50  ? -26.33376 -29.13979 23.99562  1.000 39.27180  ? 49  GLU A OE1 1 
ATOM   215  O  OE2 . GLU A 1 50  ? -28.09430 -27.83987 23.82406  1.000 55.67151  ? 49  GLU A OE2 1 
ATOM   216  N  N   . ASN A 1 51  ? -22.26547 -27.57250 25.87049  1.000 23.98750  ? 50  ASN A N   1 
ATOM   217  C  CA  . ASN A 1 51  ? -20.92391 -27.55222 26.44571  1.000 25.56629  ? 50  ASN A CA  1 
ATOM   218  C  C   . ASN A 1 51  ? -20.07897 -26.45019 25.83217  1.000 26.46284  ? 50  ASN A C   1 
ATOM   219  O  O   . ASN A 1 51  ? -19.34321 -25.75734 26.54201  1.000 22.22839  ? 50  ASN A O   1 
ATOM   220  C  CB  . ASN A 1 51  ? -20.24531 -28.90208 26.25651  1.000 23.59548  ? 50  ASN A CB  1 
ATOM   221  C  CG  . ASN A 1 51  ? -20.64515 -29.88618 27.31479  1.000 34.32144  ? 50  ASN A CG  1 
ATOM   222  O  OD1 . ASN A 1 51  ? -20.90624 -29.50103 28.45491  1.000 33.64975  ? 50  ASN A OD1 1 
ATOM   223  N  ND2 . ASN A 1 51  ? -20.74537 -31.15528 26.94277  1.000 28.35905  ? 50  ASN A ND2 1 
ATOM   224  N  N   . LEU A 1 52  ? -20.17244 -26.27538 24.51493  1.000 21.69125  ? 51  LEU A N   1 
ATOM   225  C  CA  . LEU A 1 52  ? -19.42033 -25.21209 23.87257  1.000 21.14059  ? 51  LEU A CA  1 
ATOM   226  C  C   . LEU A 1 52  ? -19.84846 -23.85445 24.39991  1.000 19.69304  ? 51  LEU A C   1 
ATOM   227  O  O   . LEU A 1 52  ? -19.00864 -22.97193 24.60323  1.000 19.85441  ? 51  LEU A O   1 
ATOM   228  C  CB  . LEU A 1 52  ? -19.59131 -25.28303 22.35533  1.000 19.64726  ? 51  LEU A CB  1 
ATOM   229  C  CG  . LEU A 1 52  ? -18.68852 -24.32512 21.58187  1.000 26.39834  ? 51  LEU A CG  1 
ATOM   230  C  CD1 . LEU A 1 52  ? -17.24078 -24.77211 21.68334  1.000 24.60596  ? 51  LEU A CD1 1 
ATOM   231  C  CD2 . LEU A 1 52  ? -19.13145 -24.20041 20.11552  1.000 28.17586  ? 51  LEU A CD2 1 
ATOM   232  N  N   . SER A 1 53  ? -21.15243 -23.67224 24.63082  1.000 25.25364  ? 52  SER A N   1 
ATOM   233  C  CA  A SER A 1 53  ? -21.64230 -22.40548 25.16376  0.590 25.17983  ? 52  SER A CA  1 
ATOM   234  C  CA  B SER A 1 53  ? -21.63653 -22.40277 25.16244  0.410 25.20923  ? 52  SER A CA  1 
ATOM   235  C  C   . SER A 1 53  ? -21.08308 -22.14820 26.55721  1.000 24.43960  ? 52  SER A C   1 
ATOM   236  O  O   . SER A 1 53  ? -20.67807 -21.02145 26.87891  1.000 25.93806  ? 52  SER A O   1 
ATOM   237  C  CB  A SER A 1 53  ? -23.16965 -22.41252 25.18654  0.590 32.20305  ? 52  SER A CB  1 
ATOM   238  C  CB  B SER A 1 53  ? -23.16419 -22.38681 25.18062  0.410 32.15334  ? 52  SER A CB  1 
ATOM   239  O  OG  A SER A 1 53  ? -23.67943 -21.27010 25.84513  0.590 29.83691  ? 52  SER A OG  1 
ATOM   240  O  OG  B SER A 1 53  ? -23.69091 -22.05901 23.90594  0.410 32.36205  ? 52  SER A OG  1 
ATOM   241  N  N   . LYS A 1 54  ? -21.05652 -23.18417 27.39792  1.000 21.65334  ? 53  LYS A N   1 
ATOM   242  C  CA  . LYS A 1 54  ? -20.50694 -23.03814 28.74108  1.000 20.95991  ? 53  LYS A CA  1 
ATOM   243  C  C   . LYS A 1 54  ? -19.01827 -22.71412 28.67626  1.000 24.15186  ? 53  LYS A C   1 
ATOM   244  O  O   . LYS A 1 54  ? -18.52393 -21.88754 29.44766  1.000 22.65681  ? 53  LYS A O   1 
ATOM   245  C  CB  . LYS A 1 54  ? -20.77180 -24.31146 29.54933  1.000 27.32351  ? 53  LYS A CB  1 
ATOM   246  C  CG  . LYS A 1 54  ? -19.93561 -24.46780 30.81579  1.000 41.81915  ? 53  LYS A CG  1 
ATOM   247  C  CD  . LYS A 1 54  ? -20.74832 -24.20531 32.07438  0.000 37.09743  ? 53  LYS A CD  1 
ATOM   248  C  CE  . LYS A 1 54  ? -19.83715 -23.99448 33.27814  1.000 47.19672  ? 53  LYS A CE  1 
ATOM   249  N  NZ  . LYS A 1 54  ? -20.23500 -22.81054 34.09479  0.730 51.25099  ? 53  LYS A NZ  1 
ATOM   250  N  N   . LEU A 1 55  ? -18.29213 -23.33486 27.73587  1.000 19.72009  ? 54  LEU A N   1 
ATOM   251  C  CA  . LEU A 1 55  ? -16.88037 -23.02702 27.56295  1.000 20.65500  ? 54  LEU A CA  1 
ATOM   252  C  C   . LEU A 1 55  ? -16.68084 -21.57450 27.16386  1.000 18.85264  ? 54  LEU A C   1 
ATOM   253  O  O   . LEU A 1 55  ? -15.77590 -20.91101 27.67101  1.000 19.38065  ? 54  LEU A O   1 
ATOM   254  C  CB  . LEU A 1 55  ? -16.26390 -23.95211 26.51393  1.000 19.42112  ? 54  LEU A CB  1 
ATOM   255  C  CG  . LEU A 1 55  ? -14.78082 -23.76667 26.22395  1.000 15.28582  ? 54  LEU A CG  1 
ATOM   256  C  CD1 . LEU A 1 55  ? -13.93947 -23.86624 27.49937  1.000 21.10620  ? 54  LEU A CD1 1 
ATOM   257  C  CD2 . LEU A 1 55  ? -14.34294 -24.82735 25.20259  1.000 19.01399  ? 54  LEU A CD2 1 
ATOM   258  N  N   . LYS A 1 56  ? -17.49434 -21.06620 26.22745  1.000 19.59718  ? 55  LYS A N   1 
ATOM   259  C  CA  . LYS A 1 56  ? -17.34599 -19.67088 25.83134  1.000 19.96108  ? 55  LYS A CA  1 
ATOM   260  C  C   . LYS A 1 56  ? -17.62584 -18.74733 27.00458  1.000 19.32752  ? 55  LYS A C   1 
ATOM   261  O  O   . LYS A 1 56  ? -16.96429 -17.71879 27.16736  1.000 24.43298  ? 55  LYS A O   1 
ATOM   262  C  CB  . LYS A 1 56  ? -18.28414 -19.33274 24.66742  1.000 22.87526  ? 55  LYS A CB  1 
ATOM   263  C  CG  . LYS A 1 56  ? -18.06396 -20.18846 23.45587  1.000 28.33849  ? 55  LYS A CG  1 
ATOM   264  C  CD  . LYS A 1 56  ? -19.08014 -19.93235 22.35217  1.000 34.13980  ? 55  LYS A CD  1 
ATOM   265  C  CE  . LYS A 1 56  ? -19.27464 -18.46251 22.07986  1.000 39.36075  ? 55  LYS A CE  1 
ATOM   266  N  NZ  . LYS A 1 56  ? -19.71146 -18.27072 20.65923  1.000 53.78720  ? 55  LYS A NZ  1 
ATOM   267  N  N   . SER A 1 57  ? -18.61392 -19.09782 27.83105  1.000 21.49387  ? 56  SER A N   1 
ATOM   268  C  CA  . SER A 1 57  ? -18.93807 -18.26483 28.98201  1.000 20.14594  ? 56  SER A CA  1 
ATOM   269  C  C   . SER A 1 57  ? -17.77735 -18.24096 29.97701  1.000 24.12291  ? 56  SER A C   1 
ATOM   270  O  O   . SER A 1 57  ? -17.48210 -17.19955 30.57975  1.000 25.18933  ? 56  SER A O   1 
ATOM   271  C  CB  . SER A 1 57  ? -20.22101 -18.77479 29.63931  1.000 33.36324  ? 56  SER A CB  1 
ATOM   272  O  OG  . SER A 1 57  ? -20.33736 -18.31642 30.96802  1.000 43.64857  ? 56  SER A OG  1 
ATOM   273  N  N   . LEU A 1 58  ? -17.10471 -19.37517 30.15994  1.000 19.90131  ? 57  LEU A N   1 
ATOM   274  C  CA  . LEU A 1 58  ? -15.91775 -19.36032 31.01148  1.000 22.21841  ? 57  LEU A CA  1 
ATOM   275  C  C   . LEU A 1 58  ? -14.81810 -18.50150 30.39902  1.000 21.69624  ? 57  LEU A C   1 
ATOM   276  O  O   . LEU A 1 58  ? -14.16039 -17.73548 31.10964  1.000 22.53086  ? 57  LEU A O   1 
ATOM   277  C  CB  . LEU A 1 58  ? -15.41355 -20.77445 31.26384  1.000 24.27895  ? 57  LEU A CB  1 
ATOM   278  C  CG  . LEU A 1 58  ? -16.31727 -21.65547 32.12395  1.000 26.40480  ? 57  LEU A CG  1 
ATOM   279  C  CD1 . LEU A 1 58  ? -15.81484 -23.09207 32.09316  1.000 26.80089  ? 57  LEU A CD1 1 
ATOM   280  C  CD2 . LEU A 1 58  ? -16.37466 -21.12354 33.56177  1.000 28.37802  ? 57  LEU A CD2 1 
ATOM   281  N  N   . LEU A 1 59  ? -14.57748 -18.61757 29.09001  1.000 20.74709  ? 58  LEU A N   1 
ATOM   282  C  CA  . LEU A 1 59  ? -13.52006 -17.77715 28.52743  1.000 20.20989  ? 58  LEU A CA  1 
ATOM   283  C  C   . LEU A 1 59  ? -13.86258 -16.30442 28.60556  1.000 19.85854  ? 58  LEU A C   1 
ATOM   284  O  O   . LEU A 1 59  ? -12.96101 -15.46339 28.73241  1.000 21.04899  ? 58  LEU A O   1 
ATOM   285  C  CB  . LEU A 1 59  ? -13.18295 -18.11294 27.07889  1.000 21.69592  ? 58  LEU A CB  1 
ATOM   286  C  CG  . LEU A 1 59  ? -12.59375 -19.46288 26.75318  1.000 26.03455  ? 58  LEU A CG  1 
ATOM   287  C  CD1 . LEU A 1 59  ? -12.43860 -19.46609 25.28052  1.000 31.02599  ? 58  LEU A CD1 1 
ATOM   288  C  CD2 . LEU A 1 59  ? -11.25457 -19.54828 27.38530  1.000 32.80723  ? 58  LEU A CD2 1 
ATOM   289  N  N   . THR A 1 60  ? -15.14510 -15.96652 28.52773  1.000 19.38666  ? 59  THR A N   1 
ATOM   290  C  CA  . THR A 1 60  ? -15.52355 -14.57049 28.58163  1.000 22.11523  ? 59  THR A CA  1 
ATOM   291  C  C   . THR A 1 60  ? -15.08978 -13.95611 29.90654  1.000 24.27084  ? 59  THR A C   1 
ATOM   292  O  O   . THR A 1 60  ? -14.75631 -12.77159 29.96326  1.000 28.48269  ? 59  THR A O   1 
ATOM   293  C  CB  . THR A 1 60  ? -17.03767 -14.46304 28.37337  1.000 25.44535  ? 59  THR A CB  1 
ATOM   294  O  OG1 . THR A 1 60  ? -17.32673 -14.74609 26.99671  1.000 29.44090  ? 59  THR A OG1 1 
ATOM   295  C  CG2 . THR A 1 60  ? -17.53713 -13.06225 28.67685  1.000 35.25774  ? 59  THR A CG2 1 
ATOM   296  N  N   . GLN A 1 61  ? -15.06169 -14.75827 30.97532  1.000 26.11354  ? 60  GLN A N   1 
ATOM   297  C  CA  . GLN A 1 61  ? -14.67258 -14.25784 32.28983  1.000 29.97398  ? 60  GLN A CA  1 
ATOM   298  C  C   . GLN A 1 61  ? -13.16590 -14.17810 32.48605  1.000 24.24311  ? 60  GLN A C   1 
ATOM   299  O  O   . GLN A 1 61  ? -12.71460 -13.51587 33.42887  1.000 28.86690  ? 60  GLN A O   1 
ATOM   300  C  CB  . GLN A 1 61  ? -15.22275 -15.14198 33.40972  1.000 32.89487  ? 60  GLN A CB  1 
ATOM   301  C  CG  . GLN A 1 61  ? -16.72848 -15.15796 33.55464  1.000 43.25332  ? 60  GLN A CG  1 
ATOM   302  C  CD  . GLN A 1 61  ? -17.20818 -16.45848 34.16741  1.000 50.38922  ? 60  GLN A CD  1 
ATOM   303  O  OE1 . GLN A 1 61  ? -18.02908 -17.17542 33.59332  1.000 44.44134  ? 60  GLN A OE1 1 
ATOM   304  N  NE2 . GLN A 1 61  ? -16.68098 -16.77462 35.34701  1.000 50.28692  ? 60  GLN A NE2 1 
ATOM   305  N  N   . LEU A 1 62  ? -12.38667 -14.83923 31.64017  1.000 24.75430  ? 61  LEU A N   1 
ATOM   306  C  CA  . LEU A 1 62  ? -10.95457 -14.95097 31.86749  1.000 23.15995  ? 61  LEU A CA  1 
ATOM   307  C  C   . LEU A 1 62  ? -10.27180 -13.59927 31.70825  1.000 26.82766  ? 61  LEU A C   1 
ATOM   308  O  O   . LEU A 1 62  ? -10.56601 -12.84382 30.77933  1.000 32.08940  ? 61  LEU A O   1 
ATOM   309  C  CB  . LEU A 1 62  ? -10.36358 -15.96149 30.88402  1.000 19.87750  ? 61  LEU A CB  1 
ATOM   310  C  CG  . LEU A 1 62  ? -8.87139  -16.22966 30.93798  1.000 22.96344  ? 61  LEU A CG  1 
ATOM   311  C  CD1 . LEU A 1 62  ? -8.53340  -17.02157 32.18339  1.000 21.88887  ? 61  LEU A CD1 1 
ATOM   312  C  CD2 . LEU A 1 62  ? -8.51694  -17.00682 29.68999  1.000 22.52426  ? 61  LEU A CD2 1 
ATOM   313  N  N   . ARG A 1 63  ? -9.37155  -13.28190 32.63621  1.000 23.91770  ? 62  ARG A N   1 
ATOM   314  C  CA  . ARG A 1 63  ? -8.52640  -12.10239 32.52915  1.000 22.93306  ? 62  ARG A CA  1 
ATOM   315  C  C   . ARG A 1 63  ? -7.05936  -12.51559 32.57415  1.000 23.64344  ? 62  ARG A C   1 
ATOM   316  O  O   . ARG A 1 63  ? -6.71392  -13.59456 33.06182  1.000 22.44373  ? 62  ARG A O   1 
ATOM   317  C  CB  . ARG A 1 63  ? -8.81397  -11.08505 33.65428  1.000 26.73731  ? 62  ARG A CB  1 
ATOM   318  C  CG  . ARG A 1 63  ? -10.27507 -10.75691 33.88703  1.000 31.38787  ? 62  ARG A CG  1 
ATOM   319  C  CD  . ARG A 1 63  ? -10.50415 -10.30121 35.33274  1.000 40.98312  ? 62  ARG A CD  1 
ATOM   320  N  NE  . ARG A 1 63  ? -10.14811 -11.34934 36.28098  0.490 40.84256  ? 62  ARG A NE  1 
ATOM   321  C  CZ  . ARG A 1 63  ? -10.41537 -11.31917 37.57784  0.000 39.62490  ? 62  ARG A CZ  1 
ATOM   322  N  NH1 . ARG A 1 63  ? -11.04349 -10.29466 38.13152  0.000 39.67441  ? 62  ARG A NH1 1 
ATOM   323  N  NH2 . ARG A 1 63  ? -10.03792 -12.34182 38.33820  1.000 45.64646  ? 62  ARG A NH2 1 
ATOM   324  N  N   . ALA A 1 64  ? -6.19326  -11.63170 32.07557  1.000 22.02950  ? 63  ALA A N   1 
ATOM   325  C  CA  . ALA A 1 64  ? -4.75332  -11.89589 32.09898  1.000 21.78304  ? 63  ALA A CA  1 
ATOM   326  C  C   . ALA A 1 64  ? -4.26119  -12.21972 33.50659  1.000 23.00917  ? 63  ALA A C   1 
ATOM   327  O  O   . ALA A 1 64  ? -3.43162  -13.11504 33.69086  1.000 19.14316  ? 63  ALA A O   1 
ATOM   328  C  CB  . ALA A 1 64  ? -3.98540  -10.69828 31.54273  1.000 23.59852  ? 63  ALA A CB  1 
ATOM   329  N  N   . GLU A 1 65  ? -4.79135  -11.53463 34.51944  1.000 23.62504  ? 64  GLU A N   1 
ATOM   330  C  CA  . GLU A 1 65  ? -4.31059  -11.79203 35.87330  1.000 24.11526  ? 64  GLU A CA  1 
ATOM   331  C  C   . GLU A 1 65  ? -4.64743  -13.20053 36.34859  1.000 23.54632  ? 64  GLU A C   1 
ATOM   332  O  O   . GLU A 1 65  ? -3.95667  -13.71700 37.23245  1.000 24.13094  ? 64  GLU A O   1 
ATOM   333  C  CB  . GLU A 1 65  ? -4.87985  -10.77092 36.86058  1.000 29.91388  ? 64  GLU A CB  1 
ATOM   334  C  CG  . GLU A 1 65  ? -6.38138  -10.56945 36.77979  1.000 25.90590  ? 64  GLU A CG  1 
ATOM   335  C  CD  . GLU A 1 65  ? -6.77252  -9.31662  36.01131  0.000 34.75511  ? 64  GLU A CD  1 
ATOM   336  O  OE1 . GLU A 1 65  ? -6.35775  -9.15976  34.83159  1.000 39.21123  ? 64  GLU A OE1 1 
ATOM   337  O  OE2 . GLU A 1 65  ? -7.49748  -8.48620  36.60883  1.000 48.09508  ? 64  GLU A OE2 1 
ATOM   338  N  N   . ASP A 1 66  ? -5.68064  -13.83931 35.78112  1.000 22.68365  ? 65  ASP A N   1 
ATOM   339  C  CA  . ASP A 1 66  ? -5.99899  -15.22092 36.14039  1.000 23.24262  ? 65  ASP A CA  1 
ATOM   340  C  C   . ASP A 1 66  ? -4.92242  -16.18826 35.67754  1.000 17.30095  ? 65  ASP A C   1 
ATOM   341  O  O   . ASP A 1 66  ? -4.91248  -17.34868 36.10912  1.000 19.21816  ? 65  ASP A O   1 
ATOM   342  C  CB  . ASP A 1 66  ? -7.34190  -15.65083 35.53417  1.000 20.70616  ? 65  ASP A CB  1 
ATOM   343  C  CG  . ASP A 1 66  ? -8.50541  -14.80081 36.02076  1.000 28.17934  ? 65  ASP A CG  1 
ATOM   344  O  OD1 . ASP A 1 66  ? -8.54323  -14.47160 37.21801  1.000 33.98362  ? 65  ASP A OD1 1 
ATOM   345  O  OD2 . ASP A 1 66  ? -9.37796  -14.45624 35.19749  1.000 32.85713  ? 65  ASP A OD2 1 
ATOM   346  N  N   . LEU A 1 67  ? -4.03615  -15.74289 34.80062  1.000 17.16541  ? 66  LEU A N   1 
ATOM   347  C  CA  . LEU A 1 67  ? -2.94995  -16.54838 34.28104  1.000 15.35883  ? 66  LEU A CA  1 
ATOM   348  C  C   . LEU A 1 67  ? -1.59657  -16.05677 34.77345  1.000 17.41704  ? 66  LEU A C   1 
ATOM   349  O  O   . LEU A 1 67  ? -0.56131  -16.55521 34.31002  1.000 16.29151  ? 66  LEU A O   1 
ATOM   350  C  CB  . LEU A 1 67  ? -2.99122  -16.54867 32.74895  1.000 15.95338  ? 66  LEU A CB  1 
ATOM   351  C  CG  . LEU A 1 67  ? -4.33603  -16.99991 32.16203  1.000 17.15867  ? 66  LEU A CG  1 
ATOM   352  C  CD1 . LEU A 1 67  ? -4.21966  -17.01424 30.64528  1.000 19.15571  ? 66  LEU A CD1 1 
ATOM   353  C  CD2 . LEU A 1 67  ? -4.69905  -18.40015 32.65601  1.000 19.12600  ? 66  LEU A CD2 1 
ATOM   354  N  N   . ASN A 1 68  ? -1.58995  -15.10087 35.70307  1.000 16.07100  ? 67  ASN A N   1 
ATOM   355  C  CA  . ASN A 1 68  ? -0.37525  -14.45483 36.20061  1.000 17.98944  ? 67  ASN A CA  1 
ATOM   356  C  C   . ASN A 1 68  ? 0.44836   -13.84684 35.06939  1.000 19.40576  ? 67  ASN A C   1 
ATOM   357  O  O   . ASN A 1 68  ? 1.67840   -13.84376 35.12533  1.000 20.15290  ? 67  ASN A O   1 
ATOM   358  C  CB  . ASN A 1 68  ? 0.47612   -15.42557 37.00857  1.000 17.60665  ? 67  ASN A CB  1 
ATOM   359  C  CG  . ASN A 1 68  ? -0.19942  -15.85577 38.27854  1.000 20.94507  ? 67  ASN A CG  1 
ATOM   360  O  OD1 . ASN A 1 68  ? -0.58842  -17.01982 38.41974  1.000 20.43365  ? 67  ASN A OD1 1 
ATOM   361  N  ND2 . ASN A 1 68  ? -0.32605  -14.92851 39.23067  1.000 22.34293  ? 67  ASN A ND2 1 
ATOM   362  N  N   . ILE A 1 69  ? -0.22091  -13.31813 34.04881  1.000 17.12855  ? 68  ILE A N   1 
ATOM   363  C  CA  . ILE A 1 69  ? 0.44799   -12.68352 32.91673  1.000 16.75976  ? 68  ILE A CA  1 
ATOM   364  C  C   . ILE A 1 69  ? 0.23541   -11.17626 32.99977  1.000 21.98700  ? 68  ILE A C   1 
ATOM   365  O  O   . ILE A 1 69  ? -0.89554  -10.68803 32.87941  1.000 23.39761  ? 68  ILE A O   1 
ATOM   366  C  CB  . ILE A 1 69  ? -0.06496  -13.23225 31.58007  1.000 15.38573  ? 68  ILE A CB  1 
ATOM   367  C  CG1 . ILE A 1 69  ? 0.21436   -14.73374 31.49383  1.000 17.67645  ? 68  ILE A CG1 1 
ATOM   368  C  CG2 . ILE A 1 69  ? 0.61418   -12.49335 30.44742  1.000 24.41667  ? 68  ILE A CG2 1 
ATOM   369  C  CD1 . ILE A 1 69  ? -0.31959  -15.38040 30.23143  1.000 17.15385  ? 68  ILE A CD1 1 
ATOM   370  N  N   . ALA A 1 70  ? 1.30784   -10.44527 33.18201  1.000 24.14280  ? 69  ALA A N   1 
ATOM   371  C  CA  . ALA A 1 70  ? 1.12609   -9.00156  33.23114  1.000 26.28430  ? 69  ALA A CA  1 
ATOM   372  C  C   . ALA A 1 70  ? 1.04240   -8.45397  31.80798  1.000 22.01517  ? 69  ALA A C   1 
ATOM   373  O  O   . ALA A 1 70  ? 1.75183   -8.94043  30.92238  1.000 22.40423  ? 69  ALA A O   1 
ATOM   374  C  CB  . ALA A 1 70  ? 2.27953   -8.34256  33.96609  1.000 26.04936  ? 69  ALA A CB  1 
ATOM   375  N  N   . PRO A 1 71  ? 0.18396   -7.47043  31.54982  1.000 24.38962  ? 70  PRO A N   1 
ATOM   376  C  CA  . PRO A 1 71  ? 0.14384   -6.89604  30.19989  1.000 22.01325  ? 70  PRO A CA  1 
ATOM   377  C  C   . PRO A 1 71  ? 1.50677   -6.35152  29.80920  1.000 25.20801  ? 70  PRO A C   1 
ATOM   378  O  O   . PRO A 1 71  ? 2.23360   -5.79600  30.63058  1.000 25.20431  ? 70  PRO A O   1 
ATOM   379  C  CB  . PRO A 1 71  ? -0.90843  -5.79626  30.30917  1.000 23.19345  ? 70  PRO A CB  1 
ATOM   380  C  CG  . PRO A 1 71  ? -1.80993  -6.28934  31.41939  1.000 30.63609  ? 70  PRO A CG  1 
ATOM   381  C  CD  . PRO A 1 71  ? -0.85168  -6.88665  32.41805  1.000 29.89566  ? 70  PRO A CD  1 
ATOM   382  N  N   . ARG A 1 72  ? 1.87808   -6.57882  28.55757  1.000 20.24603  ? 71  ARG A N   1 
ATOM   383  C  CA  . ARG A 1 72  ? 3.13501   -6.09206  28.01874  1.000 22.64576  ? 71  ARG A CA  1 
ATOM   384  C  C   . ARG A 1 72  ? 2.87315   -4.87509  27.14777  1.000 24.41411  ? 71  ARG A C   1 
ATOM   385  O  O   . ARG A 1 72  ? 1.92690   -4.85539  26.36027  1.000 25.76258  ? 71  ARG A O   1 
ATOM   386  C  CB  . ARG A 1 72  ? 3.82740   -7.19208  27.21614  1.000 20.60874  ? 71  ARG A CB  1 
ATOM   387  C  CG  . ARG A 1 72  ? 4.03712   -8.41918  28.07361  1.000 23.84837  ? 71  ARG A CG  1 
ATOM   388  C  CD  . ARG A 1 72  ? 4.88886   -9.46213  27.41503  1.000 21.70805  ? 71  ARG A CD  1 
ATOM   389  N  NE  . ARG A 1 72  ? 5.07839   -10.57481 28.33472  1.000 18.90932  ? 71  ARG A NE  1 
ATOM   390  C  CZ  . ARG A 1 72  ? 5.68155   -11.70564 28.01414  1.000 20.03920  ? 71  ARG A CZ  1 
ATOM   391  N  NH1 . ARG A 1 72  ? 6.14983   -11.91403 26.79044  1.000 20.82722  ? 71  ARG A NH1 1 
ATOM   392  N  NH2 . ARG A 1 72  ? 5.81397   -12.65306 28.94062  1.000 23.37830  ? 71  ARG A NH2 1 
ATOM   393  N  N   . LYS A 1 73  ? 3.68695   -3.84890  27.31565  1.000 23.19467  ? 72  LYS A N   1 
ATOM   394  C  CA  . LYS A 1 73  ? 3.52958   -2.63145  26.53996  1.000 22.61588  ? 72  LYS A CA  1 
ATOM   395  C  C   . LYS A 1 73  ? 4.72804   -2.46882  25.61459  1.000 22.69233  ? 72  LYS A C   1 
ATOM   396  O  O   . LYS A 1 73  ? 5.74028   -3.15760  25.74782  1.000 24.85884  ? 72  LYS A O   1 
ATOM   397  C  CB  . LYS A 1 73  ? 3.35350   -1.42527  27.47161  1.000 24.21683  ? 72  LYS A CB  1 
ATOM   398  C  CG  . LYS A 1 73  ? 2.16366   -1.60395  28.42574  1.000 25.29520  ? 72  LYS A CG  1 
ATOM   399  C  CD  . LYS A 1 73  ? 1.87921   -0.34139  29.23400  1.000 29.27561  ? 72  LYS A CD  1 
ATOM   400  C  CE  . LYS A 1 73  ? 0.63799   -0.53205  30.10745  1.000 34.67859  ? 72  LYS A CE  1 
ATOM   401  N  NZ  . LYS A 1 73  ? 0.32922   0.65116   30.94787  1.000 33.61327  ? 72  LYS A NZ  1 
ATOM   402  N  N   . ALA A 1 74  ? 4.59427   -1.56285  24.65067  1.000 24.19291  ? 73  ALA A N   1 
ATOM   403  C  CA  . ALA A 1 74  ? 5.58826   -1.45938  23.59085  1.000 24.43544  ? 73  ALA A CA  1 
ATOM   404  C  C   . ALA A 1 74  ? 6.93704   -1.01242  24.14069  1.000 26.63675  ? 73  ALA A C   1 
ATOM   405  O  O   . ALA A 1 74  ? 7.01881   -0.27558  25.12450  1.000 28.26744  ? 73  ALA A O   1 
ATOM   406  C  CB  . ALA A 1 74  ? 5.13091   -0.47890  22.51417  1.000 26.88756  ? 73  ALA A CB  1 
ATOM   407  N  N   . THR A 1 75  ? 8.00866   -1.46972  23.48562  1.000 24.83465  ? 74  THR A N   1 
ATOM   408  C  CA  . THR A 1 75  ? 9.35821   -1.02051  23.81687  1.000 28.60568  ? 74  THR A CA  1 
ATOM   409  C  C   . THR A 1 75  ? 9.76660   0.25242   23.08851  1.000 26.27552  ? 74  THR A C   1 
ATOM   410  O  O   . THR A 1 75  ? 10.69557  0.93689   23.53693  1.000 30.03935  ? 74  THR A O   1 
ATOM   411  C  CB  . THR A 1 75  ? 10.37830  -2.10617  23.46900  1.000 32.23659  ? 74  THR A CB  1 
ATOM   412  O  OG1 . THR A 1 75  ? 10.44679  -2.23756  22.04052  1.000 31.93716  ? 74  THR A OG1 1 
ATOM   413  C  CG2 . THR A 1 75  ? 9.98665   -3.43639  24.08267  1.000 32.25403  ? 74  THR A CG2 1 
ATOM   414  N  N   . LEU A 1 76  ? 9.11795   0.57392   21.97151  1.000 26.35412  ? 75  LEU A N   1 
ATOM   415  C  CA  . LEU A 1 76  ? 9.51212   1.65863   21.07555  1.000 24.04089  ? 75  LEU A CA  1 
ATOM   416  C  C   . LEU A 1 76  ? 10.90308  1.45098   20.48047  1.000 28.80918  ? 75  LEU A C   1 
ATOM   417  O  O   . LEU A 1 76  ? 11.47638  2.38187   19.90844  1.000 32.35742  ? 75  LEU A O   1 
ATOM   418  C  CB  . LEU A 1 76  ? 9.44581   3.03386   21.75883  1.000 26.53827  ? 75  LEU A CB  1 
ATOM   419  C  CG  . LEU A 1 76  ? 8.09337   3.33692   22.41274  1.000 29.17801  ? 75  LEU A CG  1 
ATOM   420  C  CD1 . LEU A 1 76  ? 8.07038   4.75969   22.94230  1.000 27.27323  ? 75  LEU A CD1 1 
ATOM   421  C  CD2 . LEU A 1 76  ? 6.93723   3.07664   21.44273  1.000 33.83521  ? 75  LEU A CD2 1 
ATOM   422  N  N   . GLN A 1 77  ? 11.45504  0.26961   20.60275  1.000 27.00012  ? 76  GLN A N   1 
ATOM   423  C  CA  . GLN A 1 77  ? 12.73270  -0.04684  19.98489  1.000 34.54346  ? 76  GLN A CA  1 
ATOM   424  C  C   . GLN A 1 77  ? 12.53131  -1.07352  18.87406  1.000 32.56696  ? 76  GLN A C   1 
ATOM   425  O  O   . GLN A 1 77  ? 11.59158  -1.87083  18.93328  1.000 31.80535  ? 76  GLN A O   1 
ATOM   426  C  CB  . GLN A 1 77  ? 13.70646  -0.60363  21.02950  1.000 36.62574  ? 76  GLN A CB  1 
ATOM   427  C  CG  . GLN A 1 77  ? 13.83193  0.23335   22.28859  1.000 36.38370  ? 76  GLN A CG  1 
ATOM   428  C  CD  . GLN A 1 77  ? 14.25118  1.66707   21.99786  1.000 43.38608  ? 76  GLN A CD  1 
ATOM   429  O  OE1 . GLN A 1 77  ? 15.09649  1.91513   21.13677  1.000 47.55218  ? 76  GLN A OE1 1 
ATOM   430  N  NE2 . GLN A 1 77  ? 13.65934  2.61908   22.71498  1.000 40.05179  ? 76  GLN A NE2 1 
ATOM   431  N  N   . PRO A 1 78  ? 13.37414  -1.07809  17.84250  1.000 31.43253  ? 77  PRO A N   1 
ATOM   432  C  CA  . PRO A 1 78  ? 13.24569  -2.10498  16.79991  1.000 26.21192  ? 77  PRO A CA  1 
ATOM   433  C  C   . PRO A 1 78  ? 13.44592  -3.49883  17.38824  1.000 32.10503  ? 77  PRO A C   1 
ATOM   434  O  O   . PRO A 1 78  ? 14.07177  -3.67645  18.43161  1.000 35.70951  ? 77  PRO A O   1 
ATOM   435  C  CB  . PRO A 1 78  ? 14.35757  -1.74746  15.80366  1.000 35.81250  ? 77  PRO A CB  1 
ATOM   436  C  CG  . PRO A 1 78  ? 14.80649  -0.37172  16.17270  1.000 42.60219  ? 77  PRO A CG  1 
ATOM   437  C  CD  . PRO A 1 78  ? 14.54458  -0.21352  17.63016  1.000 35.08814  ? 77  PRO A CD  1 
ATOM   438  N  N   . LEU A 1 79  ? 12.89281  -4.49782  16.71719  1.000 27.48066  ? 78  LEU A N   1 
ATOM   439  C  CA  . LEU A 1 79  ? 13.05953  -5.88134  17.16248  1.000 25.62312  ? 78  LEU A CA  1 
ATOM   440  C  C   . LEU A 1 79  ? 14.35204  -6.45476  16.58495  1.000 31.86499  ? 78  LEU A C   1 
ATOM   441  O  O   . LEU A 1 79  ? 14.50289  -6.48615  15.35706  1.000 28.77175  ? 78  LEU A O   1 
ATOM   442  C  CB  . LEU A 1 79  ? 11.86223  -6.71897  16.73957  1.000 28.81793  ? 78  LEU A CB  1 
ATOM   443  C  CG  . LEU A 1 79  ? 11.89508  -8.21138  17.06237  1.000 33.67781  ? 78  LEU A CG  1 
ATOM   444  C  CD1 . LEU A 1 79  ? 11.67946  -8.41341  18.54272  1.000 29.02116  ? 78  LEU A CD1 1 
ATOM   445  C  CD2 . LEU A 1 79  ? 10.83863  -8.96609  16.26455  1.000 33.39525  ? 78  LEU A CD2 1 
ATOM   446  N  N   . PRO A 1 80  ? 15.30238  -6.90058  17.40782  1.000 29.83845  ? 79  PRO A N   1 
ATOM   447  C  CA  . PRO A 1 80  ? 16.58491  -7.40640  16.86976  1.000 31.08287  ? 79  PRO A CA  1 
ATOM   448  C  C   . PRO A 1 80  ? 16.36673  -8.68781  16.08807  1.000 25.15043  ? 79  PRO A C   1 
ATOM   449  O  O   . PRO A 1 80  ? 15.37359  -9.39747  16.31632  1.000 28.61268  ? 79  PRO A O   1 
ATOM   450  C  CB  . PRO A 1 80  ? 17.42944  -7.66399  18.12679  1.000 30.64460  ? 79  PRO A CB  1 
ATOM   451  C  CG  . PRO A 1 80  ? 16.65148  -7.07124  19.26559  1.000 31.18499  ? 79  PRO A CG  1 
ATOM   452  C  CD  . PRO A 1 80  ? 15.22389  -7.05680  18.86706  1.000 31.21982  ? 79  PRO A CD  1 
ATOM   453  N  N   . PRO A 1 81  ? 17.27176  -9.02322  15.16354  1.000 28.65687  ? 80  PRO A N   1 
ATOM   454  C  CA  . PRO A 1 81  ? 17.02553  -10.17828 14.28197  1.000 31.29014  ? 80  PRO A CA  1 
ATOM   455  C  C   . PRO A 1 81  ? 16.97236  -11.50735 15.00982  1.000 27.63929  ? 80  PRO A C   1 
ATOM   456  O  O   . PRO A 1 81  ? 16.39167  -12.46347 14.47718  1.000 30.23132  ? 80  PRO A O   1 
ATOM   457  C  CB  . PRO A 1 81  ? 18.21007  -10.14454 13.30169  1.000 37.31734  ? 80  PRO A CB  1 
ATOM   458  C  CG  . PRO A 1 81  ? 18.81885  -8.78637  13.44033  1.000 38.69160  ? 80  PRO A CG  1 
ATOM   459  C  CD  . PRO A 1 81  ? 18.52768  -8.32409  14.83796  1.000 34.18650  ? 80  PRO A CD  1 
ATOM   460  N  N   . ASN A 1 82  ? 17.57070  -11.61154 16.18809  1.000 24.91840  ? 81  ASN A N   1 
ATOM   461  C  CA  . ASN A 1 82  ? 17.62396  -12.88518 16.88286  1.000 21.08538  ? 81  ASN A CA  1 
ATOM   462  C  C   . ASN A 1 82  ? 16.41883  -13.13040 17.77534  1.000 26.04287  ? 81  ASN A C   1 
ATOM   463  O  O   . ASN A 1 82  ? 16.29834  -14.22721 18.32833  1.000 32.51833  ? 81  ASN A O   1 
ATOM   464  C  CB  . ASN A 1 82  ? 18.91119  -12.97618 17.71681  1.000 28.08311  ? 81  ASN A CB  1 
ATOM   465  C  CG  . ASN A 1 82  ? 18.98130  -11.92296 18.79782  1.000 39.07071  ? 81  ASN A CG  1 
ATOM   466  O  OD1 . ASN A 1 82  ? 18.66421  -10.75737 18.56614  1.000 31.48306  ? 81  ASN A OD1 1 
ATOM   467  N  ND2 . ASN A 1 82  ? 19.40473  -12.32737 19.99002  1.000 31.63963  ? 81  ASN A ND2 1 
ATOM   468  N  N   . LEU A 1 83  ? 15.50791  -12.15475 17.91386  1.000 24.44199  ? 82  LEU A N   1 
ATOM   469  C  CA  . LEU A 1 83  ? 14.37372  -12.51325 18.75772  1.000 20.71225  ? 82  LEU A CA  1 
ATOM   470  C  C   . LEU A 1 83  ? 13.11914  -12.77530 17.92621  1.000 20.87711  ? 82  LEU A C   1 
ATOM   471  O  O   . LEU A 1 83  ? 12.88424  -12.08561 16.92656  1.000 20.90637  ? 82  LEU A O   1 
ATOM   472  C  CB  . LEU A 1 83  ? 14.07496  -11.40549 19.76183  1.000 28.71223  ? 82  LEU A CB  1 
ATOM   473  C  CG  . LEU A 1 83  ? 15.23427  -11.13990 20.72050  1.000 45.82596  ? 82  LEU A CG  1 
ATOM   474  C  CD1 . LEU A 1 83  ? 15.10068  -9.76194  21.34849  1.000 41.39714  ? 82  LEU A CD1 1 
ATOM   475  C  CD2 . LEU A 1 83  ? 15.28060  -12.22896 21.77353  1.000 43.64395  ? 82  LEU A CD2 1 
ATOM   476  N  N   . PRO A 1 84  ? 12.28521  -13.73419 18.33936  1.000 24.94432  ? 83  PRO A N   1 
ATOM   477  C  CA  . PRO A 1 84  ? 11.09819  -14.04901 17.55390  1.000 21.59951  ? 83  PRO A CA  1 
ATOM   478  C  C   . PRO A 1 84  ? 10.05489  -12.95949 17.69458  1.000 19.24501  ? 83  PRO A C   1 
ATOM   479  O  O   . PRO A 1 84  ? 9.94749   -12.31392 18.75039  1.000 21.06951  ? 83  PRO A O   1 
ATOM   480  C  CB  . PRO A 1 84  ? 10.60351  -15.36973 18.17332  1.000 22.96052  ? 83  PRO A CB  1 
ATOM   481  C  CG  . PRO A 1 84  ? 11.02664  -15.29128 19.57950  1.000 21.50652  ? 83  PRO A CG  1 
ATOM   482  C  CD  . PRO A 1 84  ? 12.35639  -14.54523 19.56976  1.000 24.82342  ? 83  PRO A CD  1 
ATOM   483  N  N   . PRO A 1 85  ? 9.23551   -12.74077 16.66382  1.000 17.93157  ? 84  PRO A N   1 
ATOM   484  C  CA  . PRO A 1 85  ? 8.14811   -11.76002 16.77826  1.000 16.76667  ? 84  PRO A CA  1 
ATOM   485  C  C   . PRO A 1 85  ? 7.03414   -12.19481 17.70566  1.000 15.94826  ? 84  PRO A C   1 
ATOM   486  O  O   . PRO A 1 85  ? 6.30976   -11.33716 18.21392  1.000 18.25547  ? 84  PRO A O   1 
ATOM   487  C  CB  . PRO A 1 85  ? 7.64004   -11.63958 15.33884  1.000 21.87986  ? 84  PRO A CB  1 
ATOM   488  C  CG  . PRO A 1 85  ? 7.97924   -12.98521 14.72864  1.000 24.15972  ? 84  PRO A CG  1 
ATOM   489  C  CD  . PRO A 1 85  ? 9.30280   -13.35657 15.32710  1.000 22.81971  ? 84  PRO A CD  1 
ATOM   490  N  N   . VAL A 1 86  ? 6.86032   -13.49610 17.91925  1.000 17.61621  ? 85  VAL A N   1 
ATOM   491  C  CA  . VAL A 1 86  ? 5.74873   -14.03745 18.69604  1.000 13.76138  ? 85  VAL A CA  1 
ATOM   492  C  C   . VAL A 1 86  ? 6.30240   -15.12535 19.61000  1.000 14.56649  ? 85  VAL A C   1 
ATOM   493  O  O   . VAL A 1 86  ? 7.24006   -15.83909 19.24256  1.000 14.74235  ? 85  VAL A O   1 
ATOM   494  C  CB  . VAL A 1 86  ? 4.65726   -14.59490 17.74939  1.000 16.24516  ? 85  VAL A CB  1 
ATOM   495  C  CG1 . VAL A 1 86  ? 3.46359   -15.11403 18.52099  1.000 17.93651  ? 85  VAL A CG1 1 
ATOM   496  C  CG2 . VAL A 1 86  ? 4.21951   -13.53450 16.77477  1.000 15.37663  ? 85  VAL A CG2 1 
ATOM   497  N  N   . THR A 1 87  ? 5.75163   -15.24101 20.82204  1.000 15.09092  ? 86  THR A N   1 
ATOM   498  C  CA  . THR A 1 87  ? 6.08185   -16.35703 21.69787  1.000 14.36544  ? 86  THR A CA  1 
ATOM   499  C  C   . THR A 1 87  ? 4.79081   -17.04643 22.14139  1.000 12.99946  ? 86  THR A C   1 
ATOM   500  O  O   . THR A 1 87  ? 3.68206   -16.53728 21.94625  1.000 13.59325  ? 86  THR A O   1 
ATOM   501  C  CB  . THR A 1 87  ? 6.90508   -15.91039 22.93043  1.000 15.05170  ? 86  THR A CB  1 
ATOM   502  O  OG1 . THR A 1 87  ? 6.22384   -14.83702 23.59636  1.000 16.81564  ? 86  THR A OG1 1 
ATOM   503  C  CG2 . THR A 1 87  ? 8.29273   -15.42395 22.51018  1.000 19.63213  ? 86  THR A CG2 1 
ATOM   504  N  N   . TYR A 1 88  ? 4.96130   -18.21933 22.74550  1.000 13.58944  ? 87  TYR A N   1 
ATOM   505  C  CA  . TYR A 1 88  ? 3.85640   -19.11406 23.07630  1.000 12.24225  ? 87  TYR A CA  1 
ATOM   506  C  C   . TYR A 1 88  ? 4.09031   -19.72615 24.44320  1.000 16.01047  ? 87  TYR A C   1 
ATOM   507  O  O   . TYR A 1 88  ? 5.18525   -20.21823 24.72370  1.000 13.63869  ? 87  TYR A O   1 
ATOM   508  C  CB  . TYR A 1 88  ? 3.69487   -20.23417 22.02555  1.000 14.25017  ? 87  TYR A CB  1 
ATOM   509  C  CG  . TYR A 1 88  ? 2.63601   -21.25057 22.38972  1.000 14.52893  ? 87  TYR A CG  1 
ATOM   510  C  CD1 . TYR A 1 88  ? 1.29145   -20.94276 22.25973  1.000 14.31890  ? 87  TYR A CD1 1 
ATOM   511  C  CD2 . TYR A 1 88  ? 2.98156   -22.50834 22.87663  1.000 15.42148  ? 87  TYR A CD2 1 
ATOM   512  C  CE1 . TYR A 1 88  ? 0.30874   -21.85625 22.58933  1.000 14.16959  ? 87  TYR A CE1 1 
ATOM   513  C  CE2 . TYR A 1 88  ? 1.99720   -23.43445 23.23317  1.000 13.99822  ? 87  TYR A CE2 1 
ATOM   514  C  CZ  . TYR A 1 88  ? 0.66844   -23.09934 23.07690  1.000 17.08165  ? 87  TYR A CZ  1 
ATOM   515  O  OH  . TYR A 1 88  ? -0.32222  -23.99238 23.41499  1.000 18.01115  ? 87  TYR A OH  1 
ATOM   516  N  N   . MET A 1 89  ? 3.06401   -19.68921 25.28677  1.000 12.91956  ? 88  MET A N   1 
ATOM   517  C  CA  . MET A 1 89  ? 3.07111   -20.36784 26.57905  1.000 13.44965  ? 88  MET A CA  1 
ATOM   518  C  C   . MET A 1 89  ? 2.12776   -21.55798 26.51111  1.000 14.60128  ? 88  MET A C   1 
ATOM   519  O  O   . MET A 1 89  ? 0.91853   -21.37619 26.33903  1.000 15.96773  ? 88  MET A O   1 
ATOM   520  C  CB  . MET A 1 89  ? 2.61904   -19.43163 27.69090  1.000 12.26561  ? 88  MET A CB  1 
ATOM   521  C  CG  . MET A 1 89  ? 3.50238   -18.19515 27.87459  1.000 13.27283  ? 88  MET A CG  1 
ATOM   522  S  SD  . MET A 1 89  ? 2.60815   -17.12748 29.02028  1.000 15.95666  ? 88  MET A SD  1 
ATOM   523  C  CE  . MET A 1 89  ? 3.90708   -15.93100 29.33583  1.000 18.79682  ? 88  MET A CE  1 
ATOM   524  N  N   . HIS A 1 90  ? 2.66361   -22.75567 26.66763  1.000 13.15164  ? 89  HIS A N   1 
ATOM   525  C  CA  . HIS A 1 90  ? 1.80643   -23.92619 26.68330  1.000 14.55060  ? 89  HIS A CA  1 
ATOM   526  C  C   . HIS A 1 90  ? 1.19094   -24.10637 28.05539  1.000 16.60862  ? 89  HIS A C   1 
ATOM   527  O  O   . HIS A 1 90  ? 1.89054   -24.04893 29.07645  1.000 17.94996  ? 89  HIS A O   1 
ATOM   528  C  CB  . HIS A 1 90  ? 2.56649   -25.18881 26.29920  1.000 14.27971  ? 89  HIS A CB  1 
ATOM   529  C  CG  . HIS A 1 90  ? 1.65819   -26.31522 25.92238  1.000 19.87752  ? 89  HIS A CG  1 
ATOM   530  N  ND1 . HIS A 1 90  ? 0.59639   -26.14381 25.05349  1.000 19.97324  ? 89  HIS A ND1 1 
ATOM   531  C  CD2 . HIS A 1 90  ? 1.61010   -27.60243 26.33158  1.000 20.61349  ? 89  HIS A CD2 1 
ATOM   532  C  CE1 . HIS A 1 90  ? -0.04901  -27.28903 24.92654  1.000 24.31683  ? 89  HIS A CE1 1 
ATOM   533  N  NE2 . HIS A 1 90  ? 0.54320   -28.18828 25.69473  1.000 23.44745  ? 89  HIS A NE2 1 
ATOM   534  N  N   . ILE A 1 91  ? -0.10835  -24.36916 28.08985  1.000 12.40904  ? 90  ILE A N   1 
ATOM   535  C  CA  . ILE A 1 91  ? -0.79551  -24.65139 29.34820  1.000 12.29208  ? 90  ILE A CA  1 
ATOM   536  C  C   . ILE A 1 91  ? -1.17392  -26.12565 29.46639  1.000 17.55652  ? 90  ILE A C   1 
ATOM   537  O  O   . ILE A 1 91  ? -0.89117  -26.76439 30.48265  1.000 16.91890  ? 90  ILE A O   1 
ATOM   538  C  CB  . ILE A 1 91  ? -2.02819  -23.73771 29.51679  1.000 11.14123  ? 90  ILE A CB  1 
ATOM   539  C  CG1 . ILE A 1 91  ? -1.55813  -22.27530 29.56994  1.000 14.81865  ? 90  ILE A CG1 1 
ATOM   540  C  CG2 . ILE A 1 91  ? -2.82710  -24.15878 30.77761  1.000 13.19910  ? 90  ILE A CG2 1 
ATOM   541  C  CD1 . ILE A 1 91  ? -2.68261  -21.25539 29.63441  1.000 15.37493  ? 90  ILE A CD1 1 
ATOM   542  N  N   . TYR A 1 92  ? -1.83442  -26.68661 28.44723  1.000 13.29723  ? 91  TYR A N   1 
ATOM   543  C  CA  . TYR A 1 92  ? -2.16851  -28.10003 28.52813  1.000 13.39925  ? 91  TYR A CA  1 
ATOM   544  C  C   . TYR A 1 92  ? -2.57717  -28.59261 27.15253  1.000 16.17137  ? 91  TYR A C   1 
ATOM   545  O  O   . TYR A 1 92  ? -3.03236  -27.81378 26.31058  1.000 15.90824  ? 91  TYR A O   1 
ATOM   546  C  CB  . TYR A 1 92  ? -3.31421  -28.36735 29.51695  1.000 14.67571  ? 91  TYR A CB  1 
ATOM   547  C  CG  . TYR A 1 92  ? -3.20951  -29.71890 30.17167  1.000 18.50519  ? 91  TYR A CG  1 
ATOM   548  C  CD1 . TYR A 1 92  ? -2.23793  -29.96786 31.13733  1.000 21.32315  ? 91  TYR A CD1 1 
ATOM   549  C  CD2 . TYR A 1 92  ? -4.06388  -30.76333 29.80572  1.000 19.65758  ? 91  TYR A CD2 1 
ATOM   550  C  CE1 . TYR A 1 92  ? -2.12267  -31.21393 31.73230  1.000 28.34485  ? 91  TYR A CE1 1 
ATOM   551  C  CE2 . TYR A 1 92  ? -3.95534  -32.01879 30.39520  1.000 25.31490  ? 91  TYR A CE2 1 
ATOM   552  C  CZ  . TYR A 1 92  ? -2.97825  -32.23720 31.35768  1.000 28.78119  ? 91  TYR A CZ  1 
ATOM   553  O  OH  . TYR A 1 92  ? -2.85237  -33.47969 31.95187  1.000 31.08088  ? 91  TYR A OH  1 
ATOM   554  N  N   . GLU A 1 93  ? -2.43847  -29.90196 26.95642  1.000 18.27254  ? 92  GLU A N   1 
ATOM   555  C  CA  . GLU A 1 93  ? -3.02943  -30.55177 25.79389  1.000 18.23558  ? 92  GLU A CA  1 
ATOM   556  C  C   . GLU A 1 93  ? -3.42205  -31.98147 26.13329  1.000 22.65737  ? 92  GLU A C   1 
ATOM   557  O  O   . GLU A 1 93  ? -2.76905  -32.66002 26.93831  1.000 20.49030  ? 92  GLU A O   1 
ATOM   558  C  CB  . GLU A 1 93  ? -2.08573  -30.50955 24.58146  1.000 18.55021  ? 92  GLU A CB  1 
ATOM   559  C  CG  . GLU A 1 93  ? -1.37895  -31.80050 24.26482  1.000 28.95314  ? 92  GLU A CG  1 
ATOM   560  C  CD  . GLU A 1 93  ? -0.20529  -32.06175 25.20388  1.000 30.95147  ? 92  GLU A CD  1 
ATOM   561  O  OE1 . GLU A 1 93  ? 0.25177   -31.09656 25.85666  1.000 28.81679  ? 92  GLU A OE1 1 
ATOM   562  O  OE2 . GLU A 1 93  ? 0.25063   -33.22978 25.29073  1.000 28.85173  ? 92  GLU A OE2 1 
ATOM   563  N  N   . THR A 1 94  ? -4.53513  -32.40977 25.55330  1.000 17.94730  ? 93  THR A N   1 
ATOM   564  C  CA  . THR A 1 94  ? -4.98915  -33.78534 25.56747  1.000 20.24786  ? 93  THR A CA  1 
ATOM   565  C  C   . THR A 1 94  ? -5.08304  -34.23001 24.11887  1.000 25.76681  ? 93  THR A C   1 
ATOM   566  O  O   . THR A 1 94  ? -4.67784  -33.51119 23.20532  1.000 24.43518  ? 93  THR A O   1 
ATOM   567  C  CB  . THR A 1 94  ? -6.34897  -33.93583 26.26448  1.000 32.15820  ? 93  THR A CB  1 
ATOM   568  O  OG1 . THR A 1 94  ? -7.36446  -33.31069 25.46372  1.000 25.28694  ? 93  THR A OG1 1 
ATOM   569  C  CG2 . THR A 1 94  ? -6.34901  -33.29325 27.63843  1.000 24.02260  ? 93  THR A CG2 1 
ATOM   570  N  N   . ASP A 1 95  ? -5.63939  -35.42371 23.90980  1.000 28.33121  ? 94  ASP A N   1 
ATOM   571  C  CA  . ASP A 1 95  ? -5.92948  -35.85992 22.55264  1.000 27.20799  ? 94  ASP A CA  1 
ATOM   572  C  C   . ASP A 1 95  ? -7.01451  -34.99333 21.92171  1.000 31.43816  ? 94  ASP A C   1 
ATOM   573  O  O   . ASP A 1 95  ? -7.07172  -34.87177 20.69357  1.000 31.96013  ? 94  ASP A O   1 
ATOM   574  C  CB  . ASP A 1 95  ? -6.36956  -37.32579 22.58256  1.000 36.94598  ? 94  ASP A CB  1 
ATOM   575  C  CG  . ASP A 1 95  ? -5.24808  -38.27192 22.20764  1.000 54.73747  ? 94  ASP A CG  1 
ATOM   576  O  OD1 . ASP A 1 95  ? -4.07987  -37.82471 22.20580  1.000 44.02537  ? 94  ASP A OD1 1 
ATOM   577  O  OD2 . ASP A 1 95  ? -5.52974  -39.46371 21.93595  1.000 74.66114  ? 94  ASP A OD2 1 
ATOM   578  N  N   . GLY A 1 96  ? -7.85062  -34.36167 22.74289  1.000 24.60628  ? 95  GLY A N   1 
ATOM   579  C  CA  . GLY A 1 96  ? -8.98261  -33.59830 22.25060  1.000 28.47822  ? 95  GLY A CA  1 
ATOM   580  C  C   . GLY A 1 96  ? -8.75911  -32.11760 22.00562  1.000 22.37843  ? 95  GLY A C   1 
ATOM   581  O  O   . GLY A 1 96  ? -9.44170  -31.53095 21.15883  1.000 22.19460  ? 95  GLY A O   1 
ATOM   582  N  N   . PHE A 1 97  ? -7.83037  -31.48648 22.73026  1.000 17.45023  ? 96  PHE A N   1 
ATOM   583  C  CA  . PHE A 1 97  ? -7.62959  -30.05535 22.58135  1.000 17.11568  ? 96  PHE A CA  1 
ATOM   584  C  C   . PHE A 1 97  ? -6.24485  -29.66635 23.08390  1.000 17.60721  ? 96  PHE A C   1 
ATOM   585  O  O   . PHE A 1 97  ? -5.61583  -30.38330 23.87211  1.000 19.59428  ? 96  PHE A O   1 
ATOM   586  C  CB  . PHE A 1 97  ? -8.70984  -29.26373 23.32987  1.000 18.42607  ? 96  PHE A CB  1 
ATOM   587  C  CG  . PHE A 1 97  ? -8.54945  -29.32241 24.81930  1.000 16.05841  ? 96  PHE A CG  1 
ATOM   588  C  CD1 . PHE A 1 97  ? -9.04827  -30.39825 25.52967  1.000 21.91046  ? 96  PHE A CD1 1 
ATOM   589  C  CD2 . PHE A 1 97  ? -7.84380  -28.33568 25.48778  1.000 21.60768  ? 96  PHE A CD2 1 
ATOM   590  C  CE1 . PHE A 1 97  ? -8.87707  -30.48042 26.90071  1.000 25.63492  ? 96  PHE A CE1 1 
ATOM   591  C  CE2 . PHE A 1 97  ? -7.65392  -28.40969 26.85957  1.000 20.15829  ? 96  PHE A CE2 1 
ATOM   592  C  CZ  . PHE A 1 97  ? -8.16299  -29.48535 27.56325  1.000 21.35799  ? 96  PHE A CZ  1 
ATOM   593  N  N   A SER A 1 98  ? -5.77564  -28.52537 22.59701  0.240 15.88684  ? 97  SER A N   1 
ATOM   594  N  N   B SER A 1 98  ? -5.78348  -28.51969 22.60263  0.760 15.72592  ? 97  SER A N   1 
ATOM   595  C  CA  A SER A 1 98  ? -4.59550  -27.86265 23.12632  0.240 16.69039  ? 97  SER A CA  1 
ATOM   596  C  CA  B SER A 1 98  ? -4.58211  -27.84954 23.08721  0.760 16.62788  ? 97  SER A CA  1 
ATOM   597  C  C   A SER A 1 98  ? -5.00274  -26.48777 23.63452  0.240 17.35825  ? 97  SER A C   1 
ATOM   598  C  C   B SER A 1 98  ? -4.96558  -26.46171 23.58870  0.760 17.37632  ? 97  SER A C   1 
ATOM   599  O  O   A SER A 1 98  ? -5.94536  -25.87328 23.12678  0.240 17.76177  ? 97  SER A O   1 
ATOM   600  O  O   B SER A 1 98  ? -5.85700  -25.80916 23.03545  0.760 17.70068  ? 97  SER A O   1 
ATOM   601  C  CB  A SER A 1 98  ? -3.49509  -27.73438 22.06769  0.240 19.72601  ? 97  SER A CB  1 
ATOM   602  C  CB  B SER A 1 98  ? -3.52078  -27.75867 21.97133  0.760 19.75818  ? 97  SER A CB  1 
ATOM   603  O  OG  A SER A 1 98  ? -3.96752  -27.02965 20.93718  0.240 19.30447  ? 97  SER A OG  1 
ATOM   604  O  OG  B SER A 1 98  ? -2.34791  -27.09645 22.41307  0.760 19.45335  ? 97  SER A OG  1 
ATOM   605  N  N   . LEU A 1 99  ? -4.27618  -26.00847 24.63951  1.000 15.31596  ? 98  LEU A N   1 
ATOM   606  C  CA  . LEU A 1 99  ? -4.63756  -24.80405 25.37772  1.000 14.73653  ? 98  LEU A CA  1 
ATOM   607  C  C   . LEU A 1 99  ? -3.34859  -24.04789 25.68574  1.000 13.33650  ? 98  LEU A C   1 
ATOM   608  O  O   . LEU A 1 99  ? -2.44076  -24.62437 26.28958  1.000 13.83564  ? 98  LEU A O   1 
ATOM   609  C  CB  . LEU A 1 99  ? -5.35945  -25.20348 26.68736  1.000 15.96157  ? 98  LEU A CB  1 
ATOM   610  C  CG  . LEU A 1 99  ? -5.63725  -24.15291 27.75303  1.000 14.15242  ? 98  LEU A CG  1 
ATOM   611  C  CD1 . LEU A 1 99  ? -6.65682  -23.13865 27.25385  1.000 18.98301  ? 98  LEU A CD1 1 
ATOM   612  C  CD2 . LEU A 1 99  ? -6.15720  -24.83966 29.03320  1.000 16.08972  ? 98  LEU A CD2 1 
ATOM   613  N  N   . GLY A 1 100 ? -3.27481  -22.78497 25.28716  1.000 12.39673  ? 99  GLY A N   1 
ATOM   614  C  CA  . GLY A 1 100 ? -2.07909  -21.99441 25.53557  1.000 12.59037  ? 99  GLY A CA  1 
ATOM   615  C  C   . GLY A 1 100 ? -2.31904  -20.52924 25.22629  1.000 16.24473  ? 99  GLY A C   1 
ATOM   616  O  O   . GLY A 1 100 ? -3.43881  -20.11264 24.94680  1.000 16.31355  ? 99  GLY A O   1 
ATOM   617  N  N   . VAL A 1 101 ? -1.24153  -19.74122 25.27913  1.000 11.45680  ? 100 VAL A N   1 
ATOM   618  C  CA  . VAL A 1 101 ? -1.31401  -18.29306 25.10377  1.000 10.23538  ? 100 VAL A CA  1 
ATOM   619  C  C   . VAL A 1 101 ? -0.27548  -17.89960 24.06541  1.000 13.00905  ? 100 VAL A C   1 
ATOM   620  O  O   . VAL A 1 101 ? 0.88804   -18.30761 24.17226  1.000 12.30130  ? 100 VAL A O   1 
ATOM   621  C  CB  . VAL A 1 101 ? -1.02545  -17.55038 26.42017  1.000 13.10805  ? 100 VAL A CB  1 
ATOM   622  C  CG1 . VAL A 1 101 ? -0.99385  -16.04409 26.17915  1.000 13.99500  ? 100 VAL A CG1 1 
ATOM   623  C  CG2 . VAL A 1 101 ? -2.06524  -17.89913 27.45703  1.000 14.40083  ? 100 VAL A CG2 1 
ATOM   624  N  N   . PHE A 1 102 ? -0.69034  -17.10970 23.07197  1.000 13.21906  ? 101 PHE A N   1 
ATOM   625  C  CA  . PHE A 1 102 ? 0.23731   -16.45334 22.15726  1.000 13.38354  ? 101 PHE A CA  1 
ATOM   626  C  C   . PHE A 1 102 ? 0.44516   -15.00744 22.57496  1.000 14.01969  ? 101 PHE A C   1 
ATOM   627  O  O   . PHE A 1 102 ? -0.50724  -14.30755 22.93332  1.000 14.14794  ? 101 PHE A O   1 
ATOM   628  C  CB  . PHE A 1 102 ? -0.29411  -16.51645 20.71788  1.000 11.87406  ? 101 PHE A CB  1 
ATOM   629  C  CG  . PHE A 1 102 ? -0.18203  -17.86846 20.12649  1.000 13.78188  ? 101 PHE A CG  1 
ATOM   630  C  CD1 . PHE A 1 102 ? -1.19824  -18.79560 20.28609  1.000 15.20115  ? 101 PHE A CD1 1 
ATOM   631  C  CD2 . PHE A 1 102 ? 0.96811   -18.23416 19.43606  1.000 14.13145  ? 101 PHE A CD2 1 
ATOM   632  C  CE1 . PHE A 1 102 ? -1.08503  -20.05873 19.75780  1.000 18.45467  ? 101 PHE A CE1 1 
ATOM   633  C  CE2 . PHE A 1 102 ? 1.08294   -19.48880 18.89251  1.000 15.78012  ? 101 PHE A CE2 1 
ATOM   634  C  CZ  . PHE A 1 102 ? 0.05369   -20.40468 19.04291  1.000 17.62194  ? 101 PHE A CZ  1 
ATOM   635  N  N   . LEU A 1 103 ? 1.70215   -14.56208 22.53418  1.000 11.92039  ? 102 LEU A N   1 
ATOM   636  C  CA  . LEU A 1 103 ? 2.07732   -13.20953 22.90837  1.000 16.36421  ? 102 LEU A CA  1 
ATOM   637  C  C   . LEU A 1 103 ? 2.76301   -12.55646 21.71285  1.000 15.88988  ? 102 LEU A C   1 
ATOM   638  O  O   . LEU A 1 103 ? 3.83951   -12.99475 21.29241  1.000 15.36933  ? 102 LEU A O   1 
ATOM   639  C  CB  . LEU A 1 103 ? 2.98421   -13.21636 24.13805  1.000 14.62357  ? 102 LEU A CB  1 
ATOM   640  C  CG  . LEU A 1 103 ? 2.33937   -13.93847 25.34896  1.000 14.05909  ? 102 LEU A CG  1 
ATOM   641  C  CD1 . LEU A 1 103 ? 2.85787   -15.37701 25.39027  1.000 14.74573  ? 102 LEU A CD1 1 
ATOM   642  C  CD2 . LEU A 1 103 ? 2.64253   -13.22584 26.66732  1.000 17.24957  ? 102 LEU A CD2 1 
ATOM   643  N  N   . LEU A 1 104 ? 2.11043   -11.54441 21.15326  1.000 16.65035  ? 103 LEU A N   1 
ATOM   644  C  CA  . LEU A 1 104 ? 2.56893   -10.86431 19.95058  1.000 17.23711  ? 103 LEU A CA  1 
ATOM   645  C  C   . LEU A 1 104 ? 3.28172   -9.57762  20.33953  1.000 16.21265  ? 103 LEU A C   1 
ATOM   646  O  O   . LEU A 1 104 ? 2.74475   -8.78151  21.11280  1.000 14.74617  ? 103 LEU A O   1 
ATOM   647  C  CB  . LEU A 1 104 ? 1.39355   -10.53012 19.02158  1.000 14.63739  ? 103 LEU A CB  1 
ATOM   648  C  CG  . LEU A 1 104 ? 0.81311   -11.69207 18.21256  1.000 18.29931  ? 103 LEU A CG  1 
ATOM   649  C  CD1 . LEU A 1 104 ? 0.15854   -12.75439 19.11043  1.000 22.03053  ? 103 LEU A CD1 1 
ATOM   650  C  CD2 . LEU A 1 104 ? -0.20546  -11.13510 17.24442  1.000 18.27773  ? 103 LEU A CD2 1 
ATOM   651  N  N   . LYS A 1 105 ? 4.47083   -9.36311  19.78356  1.000 14.00716  ? 104 LYS A N   1 
ATOM   652  C  CA  . LYS A 1 105 ? 5.14309   -8.09509  20.03318  1.000 18.09042  ? 104 LYS A CA  1 
ATOM   653  C  C   . LYS A 1 105 ? 4.54100   -7.00269  19.14404  1.000 19.47815  ? 104 LYS A C   1 
ATOM   654  O  O   . LYS A 1 105 ? 3.71642   -7.27574  18.27236  1.000 18.76036  ? 104 LYS A O   1 
ATOM   655  C  CB  . LYS A 1 105 ? 6.64860   -8.25737  19.82171  1.000 16.61875  ? 104 LYS A CB  1 
ATOM   656  C  CG  . LYS A 1 105 ? 7.27641   -9.30199  20.75348  1.000 17.13726  ? 104 LYS A CG  1 
ATOM   657  C  CD  . LYS A 1 105 ? 8.73951   -9.52211  20.42633  1.000 17.96369  ? 104 LYS A CD  1 
ATOM   658  C  CE  . LYS A 1 105 ? 9.42458   -10.37425 21.48989  1.000 22.34198  ? 104 LYS A CE  1 
ATOM   659  N  NZ  . LYS A 1 105 ? 9.05787   -11.81504 21.40595  1.000 19.73569  ? 104 LYS A NZ  1 
ATOM   660  N  N   . SER A 1 106 ? 4.91596   -5.74147  19.39903  1.000 20.04562  ? 105 SER A N   1 
ATOM   661  C  CA  . SER A 1 106 ? 4.37418   -4.63510  18.61331  1.000 19.21966  ? 105 SER A CA  1 
ATOM   662  C  C   . SER A 1 106 ? 4.59826   -4.86082  17.12651  1.000 20.47472  ? 105 SER A C   1 
ATOM   663  O  O   . SER A 1 106 ? 5.68013   -5.27395  16.70101  1.000 23.32302  ? 105 SER A O   1 
ATOM   664  C  CB  . SER A 1 106 ? 5.01639   -3.30021  19.00506  1.000 22.15050  ? 105 SER A CB  1 
ATOM   665  O  OG  . SER A 1 106 ? 4.97734   -3.10707  20.39923  1.000 30.57656  ? 105 SER A OG  1 
ATOM   666  N  N   . GLY A 1 107 ? 3.55749   -4.59361  16.34255  1.000 23.31448  ? 106 GLY A N   1 
ATOM   667  C  CA  . GLY A 1 107 ? 3.67887   -4.64264  14.89853  1.000 22.73876  ? 106 GLY A CA  1 
ATOM   668  C  C   . GLY A 1 107 ? 3.83014   -6.02477  14.31074  1.000 23.80217  ? 106 GLY A C   1 
ATOM   669  O  O   . GLY A 1 107 ? 4.14158   -6.13670  13.12115  1.000 29.78252  ? 106 GLY A O   1 
ATOM   670  N  N   . THR A 1 108 ? 3.60915   -7.08073  15.08360  1.000 21.16218  ? 107 THR A N   1 
ATOM   671  C  CA  . THR A 1 108 ? 3.74581   -8.43358  14.55781  1.000 15.11309  ? 107 THR A CA  1 
ATOM   672  C  C   . THR A 1 108 ? 2.38041   -9.02824  14.26711  1.000 20.91880  ? 107 THR A C   1 
ATOM   673  O  O   . THR A 1 108 ? 1.33577   -8.49335  14.65043  1.000 21.59827  ? 107 THR A O   1 
ATOM   674  C  CB  . THR A 1 108 ? 4.51380   -9.34401  15.51894  1.000 19.28071  ? 107 THR A CB  1 
ATOM   675  O  OG1 . THR A 1 108 ? 3.72982   -9.57418  16.69366  1.000 19.59182  ? 107 THR A OG1 1 
ATOM   676  C  CG2 . THR A 1 108 ? 5.85732   -8.69201  15.90441  1.000 20.69322  ? 107 THR A CG2 1 
ATOM   677  N  N   A SER A 1 109 ? 2.40459   -10.14577 13.54693  0.560 22.88359  ? 108 SER A N   1 
ATOM   678  N  N   B SER A 1 109 ? 2.39355   -10.17221 13.59059  0.440 22.89094  ? 108 SER A N   1 
ATOM   679  C  CA  A SER A 1 109 ? 1.20014   -10.87981 13.20502  0.560 20.34800  ? 108 SER A CA  1 
ATOM   680  C  CA  B SER A 1 109 ? 1.14760   -10.84996 13.27985  0.440 20.36033  ? 108 SER A CA  1 
ATOM   681  C  C   A SER A 1 109 ? 1.46731   -12.36898 13.32932  0.560 21.65011  ? 108 SER A C   1 
ATOM   682  C  C   B SER A 1 109 ? 1.40338   -12.33723 13.13607  0.440 21.50492  ? 108 SER A C   1 
ATOM   683  O  O   A SER A 1 109 ? 2.61212   -12.82406 13.30716  0.560 20.75503  ? 108 SER A O   1 
ATOM   684  O  O   B SER A 1 109 ? 2.49383   -12.75320 12.73556  0.440 21.29754  ? 108 SER A O   1 
ATOM   685  C  CB  A SER A 1 109 ? 0.73165   -10.57575 11.77813  0.560 22.16947  ? 108 SER A CB  1 
ATOM   686  C  CB  B SER A 1 109 ? 0.53035   -10.32511 11.98820  0.440 22.03381  ? 108 SER A CB  1 
ATOM   687  O  OG  A SER A 1 109 ? 0.49893   -9.19485  11.58274  0.560 20.86664  ? 108 SER A OG  1 
ATOM   688  O  OG  B SER A 1 109 ? 1.10444   -10.96432 10.86460  0.440 27.43900  ? 108 SER A OG  1 
ATOM   689  N  N   . ILE A 1 110 ? 0.39061   -13.13257 13.47129  1.000 15.88039  ? 109 ILE A N   1 
ATOM   690  C  CA  A ILE A 1 110 ? 0.38432   -14.52833 13.05264  0.650 15.06024  ? 109 ILE A CA  1 
ATOM   691  C  CA  B ILE A 1 110 ? 0.36391   -14.53413 13.05635  0.350 15.17805  ? 109 ILE A CA  1 
ATOM   692  C  C   . ILE A 1 110 ? -0.20832  -14.55666 11.64624  1.000 16.86164  ? 109 ILE A C   1 
ATOM   693  O  O   . ILE A 1 110 ? -1.39948  -14.26095 11.48209  1.000 18.11700  ? 109 ILE A O   1 
ATOM   694  C  CB  A ILE A 1 110 ? -0.39874  -15.41464 14.02113  0.650 19.13281  ? 109 ILE A CB  1 
ATOM   695  C  CB  B ILE A 1 110 ? -0.48600  -15.40484 13.99044  0.350 19.06345  ? 109 ILE A CB  1 
ATOM   696  C  CG1 A ILE A 1 110 ? 0.16116   -15.21920 15.43350  0.650 20.49584  ? 109 ILE A CG1 1 
ATOM   697  C  CG1 B ILE A 1 110 ? -0.15066  -15.11453 15.45243  0.350 20.50214  ? 109 ILE A CG1 1 
ATOM   698  C  CG2 A ILE A 1 110 ? -0.26904  -16.87601 13.61534  0.650 18.71357  ? 109 ILE A CG2 1 
ATOM   699  C  CG2 B ILE A 1 110 ? -0.26662  -16.87378 13.66118  0.350 18.72001  ? 109 ILE A CG2 1 
ATOM   700  C  CD1 A ILE A 1 110 ? -0.55797  -16.01256 16.45313  0.650 16.40409  ? 109 ILE A CD1 1 
ATOM   701  C  CD1 B ILE A 1 110 ? 1.22498   -15.53609 15.81159  0.350 18.14177  ? 109 ILE A CD1 1 
ATOM   702  N  N   . PRO A 1 111 ? 0.57615   -14.85860 10.61958  1.000 17.61612  ? 110 PRO A N   1 
ATOM   703  C  CA  . PRO A 1 111 ? 0.07330   -14.73944 9.25339   1.000 16.47051  ? 110 PRO A CA  1 
ATOM   704  C  C   . PRO A 1 111 ? -1.05772  -15.70629 8.95493   1.000 17.44129  ? 110 PRO A C   1 
ATOM   705  O  O   . PRO A 1 111 ? -1.20585  -16.75507 9.57317   1.000 16.28822  ? 110 PRO A O   1 
ATOM   706  C  CB  . PRO A 1 111 ? 1.30290   -15.05878 8.39449   1.000 15.96076  ? 110 PRO A CB  1 
ATOM   707  C  CG  . PRO A 1 111 ? 2.48069   -14.78305 9.31056   1.000 19.30909  ? 110 PRO A CG  1 
ATOM   708  C  CD  . PRO A 1 111 ? 1.99975   -15.20677 10.65400  1.000 16.57075  ? 110 PRO A CD  1 
ATOM   709  N  N   . LEU A 1 112 ? -1.82366  -15.34305 7.92344   1.000 16.42027  ? 111 LEU A N   1 
ATOM   710  C  CA  . LEU A 1 112 ? -2.99269  -16.10188 7.48362   1.000 17.90286  ? 111 LEU A CA  1 
ATOM   711  C  C   . LEU A 1 112 ? -2.69192  -17.59185 7.37975   1.000 15.07821  ? 111 LEU A C   1 
ATOM   712  O  O   . LEU A 1 112 ? -1.74923  -17.99973 6.69188   1.000 14.80079  ? 111 LEU A O   1 
ATOM   713  C  CB  . LEU A 1 112 ? -3.43146  -15.56410 6.11831   1.000 15.76480  ? 111 LEU A CB  1 
ATOM   714  C  CG  . LEU A 1 112 ? -4.71724  -16.17287 5.57416   1.000 16.62731  ? 111 LEU A CG  1 
ATOM   715  C  CD1 . LEU A 1 112 ? -5.90309  -15.78915 6.42085   1.000 21.05000  ? 111 LEU A CD1 1 
ATOM   716  C  CD2 . LEU A 1 112 ? -4.91369  -15.68982 4.13578   1.000 18.20212  ? 111 LEU A CD2 1 
ATOM   717  N  N   . HIS A 1 113 ? -3.51049  -18.40719 8.05017   1.000 15.11927  ? 112 HIS A N   1 
ATOM   718  C  CA  . HIS A 1 113 ? -3.28488  -19.85070 8.09704   1.000 15.15261  ? 112 HIS A CA  1 
ATOM   719  C  C   . HIS A 1 113 ? -4.61365  -20.55492 8.33239   1.000 17.75604  ? 112 HIS A C   1 
ATOM   720  O  O   . HIS A 1 113 ? -5.59795  -19.92780 8.71891   1.000 16.74332  ? 112 HIS A O   1 
ATOM   721  C  CB  . HIS A 1 113 ? -2.28645  -20.20711 9.19822   1.000 13.13890  ? 112 HIS A CB  1 
ATOM   722  C  CG  . HIS A 1 113 ? -2.77814  -19.83720 10.56553  1.000 13.85300  ? 112 HIS A CG  1 
ATOM   723  N  ND1 . HIS A 1 113 ? -2.58218  -18.59047 11.12239  1.000 14.65425  ? 112 HIS A ND1 1 
ATOM   724  C  CD2 . HIS A 1 113 ? -3.49974  -20.54729 11.46441  1.000 17.98796  ? 112 HIS A CD2 1 
ATOM   725  C  CE1 . HIS A 1 113 ? -3.14362  -18.55540 12.32241  1.000 14.92057  ? 112 HIS A CE1 1 
ATOM   726  N  NE2 . HIS A 1 113 ? -3.72692  -19.72340 12.54031  1.000 11.82929  ? 112 HIS A NE2 1 
ATOM   727  N  N   . ASP A 1 114 ? -4.63330  -21.87074 8.13214   1.000 16.30897  ? 113 ASP A N   1 
ATOM   728  C  CA  . ASP A 1 114 ? -5.84892  -22.65934 8.27439   1.000 15.86239  ? 113 ASP A CA  1 
ATOM   729  C  C   . ASP A 1 114 ? -5.75652  -23.60492 9.47416   1.000 18.64079  ? 113 ASP A C   1 
ATOM   730  O  O   . ASP A 1 114 ? -4.75197  -23.65214 10.19493  1.000 19.16961  ? 113 ASP A O   1 
ATOM   731  C  CB  . ASP A 1 114 ? -6.17217  -23.40736 6.97891   1.000 21.80370  ? 113 ASP A CB  1 
ATOM   732  C  CG  . ASP A 1 114 ? -5.12005  -24.45452 6.59311   1.000 23.86240  ? 113 ASP A CG  1 
ATOM   733  O  OD1 . ASP A 1 114 ? -4.16355  -24.68235 7.34918   1.000 21.55969  ? 113 ASP A OD1 1 
ATOM   734  O  OD2 . ASP A 1 114 ? -5.26855  -25.05668 5.51378   1.000 30.46534  ? 113 ASP A OD2 1 
ATOM   735  N  N   . HIS A 1 115 ? -6.86621  -24.30831 9.72431   1.000 17.79070  ? 114 HIS A N   1 
ATOM   736  C  CA  . HIS A 1 115 ? -6.99016  -25.23640 10.84665  1.000 17.00999  ? 114 HIS A CA  1 
ATOM   737  C  C   . HIS A 1 115 ? -7.77931  -26.44787 10.37621  1.000 19.57432  ? 114 HIS A C   1 
ATOM   738  O  O   . HIS A 1 115 ? -8.96653  -26.60045 10.68907  1.000 19.54157  ? 114 HIS A O   1 
ATOM   739  C  CB  . HIS A 1 115 ? -7.67089  -24.55964 12.03869  1.000 17.26414  ? 114 HIS A CB  1 
ATOM   740  C  CG  . HIS A 1 115 ? -7.16681  -23.17792 12.32314  1.000 19.12760  ? 114 HIS A CG  1 
ATOM   741  N  ND1 . HIS A 1 115 ? -7.48037  -22.08311 11.53982  1.000 18.31601  ? 114 HIS A ND1 1 
ATOM   742  C  CD2 . HIS A 1 115 ? -6.33379  -22.72032 13.28689  1.000 16.72817  ? 114 HIS A CD2 1 
ATOM   743  C  CE1 . HIS A 1 115 ? -6.88086  -21.00965 12.03101  1.000 17.52821  ? 114 HIS A CE1 1 
ATOM   744  N  NE2 . HIS A 1 115 ? -6.17486  -21.37213 13.08927  1.000 16.36734  ? 114 HIS A NE2 1 
ATOM   745  N  N   . PRO A 1 116 ? -7.15058  -27.33518 9.60464   1.000 18.95785  ? 115 PRO A N   1 
ATOM   746  C  CA  . PRO A 1 116 ? -7.91390  -28.37062 8.89162   1.000 22.60791  ? 115 PRO A CA  1 
ATOM   747  C  C   . PRO A 1 116 ? -8.65023  -29.30878 9.83623   1.000 23.99801  ? 115 PRO A C   1 
ATOM   748  O  O   . PRO A 1 116 ? -8.04450  -29.96986 10.68064  1.000 25.82157  ? 115 PRO A O   1 
ATOM   749  C  CB  . PRO A 1 116 ? -6.83637  -29.10999 8.08440   1.000 27.77884  ? 115 PRO A CB  1 
ATOM   750  C  CG  . PRO A 1 116 ? -5.69970  -28.13581 7.96919   1.000 23.27041  ? 115 PRO A CG  1 
ATOM   751  C  CD  . PRO A 1 116 ? -5.70997  -27.39484 9.29288   1.000 20.07628  ? 115 PRO A CD  1 
ATOM   752  N  N   . GLY A 1 117 ? -9.97015  -29.37523 9.66804   1.000 25.25897  ? 116 GLY A N   1 
ATOM   753  C  CA  . GLY A 1 117 ? -10.79628 -30.28726 10.44218  1.000 32.69895  ? 116 GLY A CA  1 
ATOM   754  C  C   . GLY A 1 117 ? -10.83807 -29.96603 11.91404  1.000 30.66300  ? 116 GLY A C   1 
ATOM   755  O  O   . GLY A 1 117 ? -10.97763 -30.87645 12.74042  1.000 30.23226  ? 116 GLY A O   1 
ATOM   756  N  N   . MET A 1 118 ? -10.76567 -28.68468 12.26627  1.000 27.24756  ? 117 MET A N   1 
ATOM   757  C  CA  . MET A 1 118 ? -10.36998 -28.30074 13.61021  1.000 24.92627  ? 117 MET A CA  1 
ATOM   758  C  C   . MET A 1 118 ? -11.33133 -27.19886 14.04471  1.000 22.95196  ? 117 MET A C   1 
ATOM   759  O  O   . MET A 1 118 ? -11.79004 -26.40913 13.21147  1.000 22.45740  ? 117 MET A O   1 
ATOM   760  C  CB  . MET A 1 118 ? -8.92036  -27.82053 13.51314  1.000 23.27400  ? 117 MET A CB  1 
ATOM   761  C  CG  . MET A 1 118 ? -7.90741  -28.85609 13.90847  1.000 25.91015  ? 117 MET A CG  1 
ATOM   762  S  SD  . MET A 1 118 ? -6.28534  -28.27146 13.30878  1.000 24.09568  ? 117 MET A SD  1 
ATOM   763  C  CE  . MET A 1 118 ? -5.66666  -27.49609 14.74515  1.000 25.97403  ? 117 MET A CE  1 
ATOM   764  N  N   . HIS A 1 119 ? -11.68172 -27.18431 15.32673  1.000 21.86066  ? 118 HIS A N   1 
ATOM   765  C  CA  . HIS A 1 119 ? -12.34504 -26.05990 15.97472  1.000 18.69740  ? 118 HIS A CA  1 
ATOM   766  C  C   . HIS A 1 119 ? -11.30031 -25.23506 16.72100  1.000 21.41588  ? 118 HIS A C   1 
ATOM   767  O  O   . HIS A 1 119 ? -10.27991 -25.76370 17.16055  1.000 22.96862  ? 118 HIS A O   1 
ATOM   768  C  CB  . HIS A 1 119 ? -13.40393 -26.53831 16.98332  1.000 19.29842  ? 118 HIS A CB  1 
ATOM   769  C  CG  . HIS A 1 119 ? -14.58370 -27.21909 16.36225  1.000 29.29050  ? 118 HIS A CG  1 
ATOM   770  N  ND1 . HIS A 1 119 ? -15.80345 -26.59692 16.19426  1.000 29.64250  ? 118 HIS A ND1 1 
ATOM   771  C  CD2 . HIS A 1 119 ? -14.73394 -28.47521 15.88222  1.000 30.68820  ? 118 HIS A CD2 1 
ATOM   772  C  CE1 . HIS A 1 119 ? -16.65104 -27.43633 15.62326  1.000 30.60399  ? 118 HIS A CE1 1 
ATOM   773  N  NE2 . HIS A 1 119 ? -16.02765 -28.58363 15.42581  1.000 33.86165  ? 118 HIS A NE2 1 
ATOM   774  N  N   . GLY A 1 120 ? -11.57362 -23.94844 16.89490  1.000 22.48344  ? 119 GLY A N   1 
ATOM   775  C  CA  . GLY A 1 120 ? -10.64830 -23.06509 17.58614  1.000 21.12350  ? 119 GLY A CA  1 
ATOM   776  C  C   . GLY A 1 120 ? -11.37809 -21.94826 18.29705  1.000 25.62632  ? 119 GLY A C   1 
ATOM   777  O  O   . GLY A 1 120 ? -12.39515 -21.44996 17.81437  1.000 25.61789  ? 119 GLY A O   1 
ATOM   778  N  N   A MET A 1 121 ? -10.89200 -21.58758 19.46992  0.500 21.96426  ? 120 MET A N   1 
ATOM   779  N  N   B MET A 1 121 ? -10.84488 -21.53605 19.45242  0.500 21.96050  ? 120 MET A N   1 
ATOM   780  C  CA  A MET A 1 121 ? -11.41100 -20.45113 20.19685  0.500 17.66773  ? 120 MET A CA  1 
ATOM   781  C  CA  B MET A 1 121 ? -11.46257 -20.48760 20.26096  0.500 17.67288  ? 120 MET A CA  1 
ATOM   782  C  C   A MET A 1 121 ? -10.24050 -19.55449 20.55195  0.500 21.10922  ? 120 MET A C   1 
ATOM   783  C  C   B MET A 1 121 ? -10.38504 -19.58192 20.84744  0.500 20.28107  ? 120 MET A C   1 
ATOM   784  O  O   A MET A 1 121 ? -9.09857  -20.00999 20.66922  0.500 17.09224  ? 120 MET A O   1 
ATOM   785  O  O   B MET A 1 121 ? -9.45369  -20.07551 21.48727  0.500 22.72514  ? 120 MET A O   1 
ATOM   786  C  CB  A MET A 1 121 ? -12.17925 -20.90202 21.43354  0.500 25.20919  ? 120 MET A CB  1 
ATOM   787  C  CB  B MET A 1 121 ? -12.30381 -21.09403 21.39367  0.500 25.63996  ? 120 MET A CB  1 
ATOM   788  C  CG  A MET A 1 121 ? -12.81490 -22.25395 21.19325  0.500 25.11684  ? 120 MET A CG  1 
ATOM   789  C  CG  B MET A 1 121 ? -13.29337 -20.13835 22.01747  0.500 24.45403  ? 120 MET A CG  1 
ATOM   790  S  SD  A MET A 1 121 ? -13.74185 -22.93207 22.54081  0.500 24.90952  ? 120 MET A SD  1 
ATOM   791  S  SD  B MET A 1 121 ? -14.41248 -20.90988 23.22454  0.500 30.76747  ? 120 MET A SD  1 
ATOM   792  C  CE  A MET A 1 121 ? -14.93782 -21.64365 22.87076  0.500 27.01929  ? 120 MET A CE  1 
ATOM   793  C  CE  B MET A 1 121 ? -15.22476 -22.14652 22.23349  0.500 20.24947  ? 120 MET A CE  1 
ATOM   794  N  N   . LEU A 1 122 ? -10.52561 -18.26618 20.65204  1.000 16.92140  ? 121 LEU A N   1 
ATOM   795  C  CA  . LEU A 1 122 ? -9.50677  -17.27578 20.98540  1.000 18.99901  ? 121 LEU A CA  1 
ATOM   796  C  C   . LEU A 1 122 ? -10.09645 -16.24479 21.93718  1.000 21.82165  ? 121 LEU A C   1 
ATOM   797  O  O   . LEU A 1 122 ? -11.19911 -15.75752 21.70291  1.000 22.15296  ? 121 LEU A O   1 
ATOM   798  C  CB  . LEU A 1 122 ? -9.03151  -16.58979 19.69558  1.000 23.49396  ? 121 LEU A CB  1 
ATOM   799  C  CG  . LEU A 1 122 ? -7.95213  -15.51873 19.65987  1.000 30.72778  ? 121 LEU A CG  1 
ATOM   800  C  CD1 . LEU A 1 122 ? -7.33917  -15.54808 18.25671  1.000 26.33708  ? 121 LEU A CD1 1 
ATOM   801  C  CD2 . LEU A 1 122 ? -8.48907  -14.12839 19.98737  1.000 24.21260  ? 121 LEU A CD2 1 
ATOM   802  N  N   . LYS A 1 123 ? -9.37332  -15.89093 22.99574  1.000 15.38102  ? 122 LYS A N   1 
ATOM   803  C  CA  A LYS A 1 123 ? -9.82002  -14.85116 23.91852  0.510 17.95013  ? 122 LYS A CA  1 
ATOM   804  C  CA  B LYS A 1 123 ? -9.81907  -14.85271 23.92044  0.490 17.95891  ? 122 LYS A CA  1 
ATOM   805  C  C   . LYS A 1 123 ? -8.66874  -13.88941 24.16666  1.000 18.45663  ? 122 LYS A C   1 
ATOM   806  O  O   . LYS A 1 123 ? -7.61659  -14.29879 24.67103  1.000 17.45586  ? 122 LYS A O   1 
ATOM   807  C  CB  A LYS A 1 123 ? -10.30439 -15.44953 25.24327  0.510 17.65180  ? 122 LYS A CB  1 
ATOM   808  C  CB  B LYS A 1 123 ? -10.29586 -15.45442 25.24574  0.490 17.65298  ? 122 LYS A CB  1 
ATOM   809  C  CG  A LYS A 1 123 ? -10.60662 -14.40478 26.31666  0.510 20.18227  ? 122 LYS A CG  1 
ATOM   810  C  CG  B LYS A 1 123 ? -10.55750 -14.41322 26.32837  0.490 20.17056  ? 122 LYS A CG  1 
ATOM   811  C  CD  A LYS A 1 123 ? -11.89156 -13.65535 26.00078  0.510 20.85104  ? 122 LYS A CD  1 
ATOM   812  C  CD  B LYS A 1 123 ? -11.86598 -13.68810 26.07280  0.490 20.86288  ? 122 LYS A CD  1 
ATOM   813  C  CE  A LYS A 1 123 ? -12.03707 -12.40199 26.86513  0.510 25.90464  ? 122 LYS A CE  1 
ATOM   814  C  CE  B LYS A 1 123 ? -12.10663 -12.59851 27.11337  0.490 25.86295  ? 122 LYS A CE  1 
ATOM   815  N  NZ  A LYS A 1 123 ? -12.03131 -12.69646 28.32793  0.510 22.75014  ? 122 LYS A NZ  1 
ATOM   816  N  NZ  B LYS A 1 123 ? -11.07517 -11.52459 27.04503  0.490 21.85674  ? 122 LYS A NZ  1 
ATOM   817  N  N   . VAL A 1 124 ? -8.86930  -12.61250 23.82814  1.000 19.21071  ? 123 VAL A N   1 
ATOM   818  C  CA  . VAL A 1 124 ? -7.80573  -11.62297 24.01397  1.000 16.92783  ? 123 VAL A CA  1 
ATOM   819  C  C   . VAL A 1 124 ? -7.59033  -11.36081 25.49694  1.000 19.57790  ? 123 VAL A C   1 
ATOM   820  O  O   . VAL A 1 124 ? -8.55335  -11.18022 26.25380  1.000 22.08484  ? 123 VAL A O   1 
ATOM   821  C  CB  . VAL A 1 124 ? -8.14296  -10.31961 23.27758  1.000 21.49111  ? 123 VAL A CB  1 
ATOM   822  C  CG1 . VAL A 1 124 ? -7.03777  -9.29875  23.50223  1.000 20.23185  ? 123 VAL A CG1 1 
ATOM   823  C  CG2 . VAL A 1 124 ? -8.36850  -10.59192 21.78221  1.000 24.71198  ? 123 VAL A CG2 1 
ATOM   824  N  N   . LEU A 1 125 ? -6.32416  -11.35628 25.92116  1.000 16.25453  ? 124 LEU A N   1 
ATOM   825  C  CA  . LEU A 1 125 ? -5.94691  -11.10145 27.30994  1.000 18.69111  ? 124 LEU A CA  1 
ATOM   826  C  C   . LEU A 1 125 ? -5.49551  -9.67200  27.56116  1.000 22.16623  ? 124 LEU A C   1 
ATOM   827  O  O   . LEU A 1 125 ? -5.80272  -9.10806  28.62000  1.000 23.65444  ? 124 LEU A O   1 
ATOM   828  C  CB  . LEU A 1 125 ? -4.82941  -12.05378 27.74173  1.000 18.23556  ? 124 LEU A CB  1 
ATOM   829  C  CG  . LEU A 1 125 ? -5.09732  -13.54786 27.59402  1.000 17.79505  ? 124 LEU A CG  1 
ATOM   830  C  CD1 . LEU A 1 125 ? -3.82082  -14.29728 27.86220  1.000 18.14544  ? 124 LEU A CD1 1 
ATOM   831  C  CD2 . LEU A 1 125 ? -6.19969  -14.02166 28.54936  1.000 19.83628  ? 124 LEU A CD2 1 
ATOM   832  N  N   . TYR A 1 126 ? -4.75157  -9.07403  26.63318  1.000 18.52584  ? 125 TYR A N   1 
ATOM   833  C  CA  . TYR A 1 126 ? -4.42632  -7.65891  26.71517  1.000 19.06037  ? 125 TYR A CA  1 
ATOM   834  C  C   . TYR A 1 126 ? -4.14098  -7.17982  25.30396  1.000 20.33787  ? 125 TYR A C   1 
ATOM   835  O  O   . TYR A 1 126 ? -3.90530  -7.98079  24.39627  1.000 18.66948  ? 125 TYR A O   1 
ATOM   836  C  CB  . TYR A 1 126 ? -3.23470  -7.36600  27.65728  1.000 19.78403  ? 125 TYR A CB  1 
ATOM   837  C  CG  . TYR A 1 126 ? -1.91742  -8.03105  27.28930  1.000 18.79374  ? 125 TYR A CG  1 
ATOM   838  C  CD1 . TYR A 1 126 ? -1.08750  -7.49955  26.30622  1.000 17.55202  ? 125 TYR A CD1 1 
ATOM   839  C  CD2 . TYR A 1 126 ? -1.50555  -9.19401  27.93444  1.000 17.53496  ? 125 TYR A CD2 1 
ATOM   840  C  CE1 . TYR A 1 126 ? 0.11442   -8.10454  25.97333  1.000 17.16134  ? 125 TYR A CE1 1 
ATOM   841  C  CE2 . TYR A 1 126 ? -0.31668  -9.80384  27.62755  1.000 17.32745  ? 125 TYR A CE2 1 
ATOM   842  C  CZ  . TYR A 1 126 ? 0.49291   -9.26922  26.63813  1.000 14.65538  ? 125 TYR A CZ  1 
ATOM   843  O  OH  . TYR A 1 126 ? 1.66739   -9.88698  26.31194  1.000 18.52253  ? 125 TYR A OH  1 
ATOM   844  N  N   . GLY A 1 127 ? -4.18102  -5.86688  25.13005  1.000 21.12188  ? 126 GLY A N   1 
ATOM   845  C  CA  . GLY A 1 127 ? -3.90438  -5.31453  23.82369  1.000 20.93182  ? 126 GLY A CA  1 
ATOM   846  C  C   . GLY A 1 127 ? -5.10796  -5.43624  22.90594  1.000 21.88655  ? 126 GLY A C   1 
ATOM   847  O  O   . GLY A 1 127 ? -6.22842  -5.77186  23.31390  1.000 24.32628  ? 126 GLY A O   1 
ATOM   848  N  N   . THR A 1 128 ? -4.85869  -5.14080  21.63498  1.000 19.85512  ? 127 THR A N   1 
ATOM   849  C  CA  . THR A 1 128 ? -5.87673  -5.17592  20.59042  1.000 22.42191  ? 127 THR A CA  1 
ATOM   850  C  C   . THR A 1 128 ? -5.33567  -6.01486  19.44414  1.000 21.04191  ? 127 THR A C   1 
ATOM   851  O  O   . THR A 1 128 ? -4.17521  -5.85208  19.05399  1.000 20.52866  ? 127 THR A O   1 
ATOM   852  C  CB  . THR A 1 128 ? -6.20877  -3.75819  20.09191  1.000 24.21502  ? 127 THR A CB  1 
ATOM   853  O  OG1 . THR A 1 128 ? -6.74252  -2.98263  21.16641  1.000 27.24799  ? 127 THR A OG1 1 
ATOM   854  C  CG2 . THR A 1 128 ? -7.22417  -3.78900  18.95629  1.000 26.54336  ? 127 THR A CG2 1 
ATOM   855  N  N   . VAL A 1 129 ? -6.15475  -6.92532  18.91985  1.000 21.70300  ? 128 VAL A N   1 
ATOM   856  C  CA  . VAL A 1 129 ? -5.77109  -7.64909  17.71290  1.000 20.20571  ? 128 VAL A CA  1 
ATOM   857  C  C   . VAL A 1 129 ? -6.82067  -7.40871  16.64312  1.000 20.39275  ? 128 VAL A C   1 
ATOM   858  O  O   . VAL A 1 129 ? -8.00693  -7.21160  16.93181  1.000 23.83272  ? 128 VAL A O   1 
ATOM   859  C  CB  . VAL A 1 129 ? -5.57363  -9.16485  17.93367  1.000 18.17398  ? 128 VAL A CB  1 
ATOM   860  C  CG1 . VAL A 1 129 ? -4.40013  -9.41656  18.92836  1.000 20.16286  ? 128 VAL A CG1 1 
ATOM   861  C  CG2 . VAL A 1 129 ? -6.85803  -9.81227  18.41527  1.000 21.40540  ? 128 VAL A CG2 1 
ATOM   862  N  N   . ARG A 1 130 ? -6.36312  -7.41020  15.39766  1.000 21.52318  ? 129 ARG A N   1 
ATOM   863  C  CA  . ARG A 1 130 ? -7.23815  -7.43866  14.23265  1.000 19.22941  ? 129 ARG A CA  1 
ATOM   864  C  C   . ARG A 1 130 ? -7.25697  -8.87004  13.72634  1.000 20.74585  ? 129 ARG A C   1 
ATOM   865  O  O   . ARG A 1 130 ? -6.19788  -9.45777  13.47915  1.000 21.33009  ? 129 ARG A O   1 
ATOM   866  C  CB  . ARG A 1 130 ? -6.75458  -6.49581  13.13241  1.000 19.85415  ? 129 ARG A CB  1 
ATOM   867  C  CG  . ARG A 1 130 ? -7.62890  -6.58914  11.87558  1.000 23.54927  ? 129 ARG A CG  1 
ATOM   868  C  CD  . ARG A 1 130 ? -7.12208  -5.72732  10.75047  1.000 33.79326  ? 129 ARG A CD  1 
ATOM   869  N  NE  . ARG A 1 130 ? -6.73109  -4.40396  11.21159  1.000 35.29583  ? 129 ARG A NE  1 
ATOM   870  C  CZ  . ARG A 1 130 ? -5.47504  -4.00260  11.34861  1.000 34.29624  ? 129 ARG A CZ  1 
ATOM   871  N  NH1 . ARG A 1 130 ? -4.45626  -4.83144  11.14247  1.000 32.75112  ? 129 ARG A NH1 1 
ATOM   872  N  NH2 . ARG A 1 130 ? -5.23398  -2.74817  11.72708  1.000 35.63828  ? 129 ARG A NH2 1 
ATOM   873  N  N   . ILE A 1 131 ? -8.44131  -9.45140  13.61691  1.000 19.93658  ? 130 ILE A N   1 
ATOM   874  C  CA  . ILE A 1 131 ? -8.57609  -10.82056 13.14240  1.000 20.06341  ? 130 ILE A CA  1 
ATOM   875  C  C   . ILE A 1 131 ? -9.32147  -10.76719 11.81864  1.000 19.49795  ? 130 ILE A C   1 
ATOM   876  O  O   . ILE A 1 131 ? -10.46086 -10.29226 11.76382  1.000 21.16432  ? 130 ILE A O   1 
ATOM   877  C  CB  . ILE A 1 131 ? -9.30634  -11.70438 14.16397  1.000 22.08151  ? 130 ILE A CB  1 
ATOM   878  C  CG1 . ILE A 1 131 ? -8.53507  -11.72676 15.49237  1.000 24.09310  ? 130 ILE A CG1 1 
ATOM   879  C  CG2 . ILE A 1 131 ? -9.43785  -13.12845 13.63123  1.000 22.09860  ? 130 ILE A CG2 1 
ATOM   880  C  CD1 . ILE A 1 131 ? -9.27021  -12.44960 16.61071  1.000 20.57415  ? 130 ILE A CD1 1 
ATOM   881  N  N   . SER A 1 132 ? -8.67537  -11.23115 10.75239  1.000 18.79624  ? 131 SER A N   1 
ATOM   882  C  CA  . SER A 1 132 ? -9.31578  -11.36808 9.45195   1.000 20.17827  ? 131 SER A CA  1 
ATOM   883  C  C   . SER A 1 132 ? -9.68922  -12.83159 9.25315   1.000 25.17544  ? 131 SER A C   1 
ATOM   884  O  O   . SER A 1 132 ? -8.84714  -13.71338 9.42678   1.000 22.04757  ? 131 SER A O   1 
ATOM   885  C  CB  . SER A 1 132 ? -8.38624  -10.88522 8.33744   1.000 22.08737  ? 131 SER A CB  1 
ATOM   886  O  OG  . SER A 1 132 ? -7.85438  -9.60781  8.66018   1.000 25.95081  ? 131 SER A OG  1 
ATOM   887  N  N   . CYS A 1 133 ? -10.94166 -13.08458 8.88441   1.000 22.55065  ? 132 CYS A N   1 
ATOM   888  C  CA  . CYS A 1 133 ? -11.52074 -14.42349 8.86937   1.000 21.50283  ? 132 CYS A CA  1 
ATOM   889  C  C   . CYS A 1 133 ? -11.93907 -14.78339 7.45522   1.000 22.07262  ? 132 CYS A C   1 
ATOM   890  O  O   . CYS A 1 133 ? -12.67338 -14.02545 6.82325   1.000 25.51071  ? 132 CYS A O   1 
ATOM   891  C  CB  . CYS A 1 133 ? -12.73599 -14.49251 9.79034   1.000 22.50909  ? 132 CYS A CB  1 
ATOM   892  S  SG  . CYS A 1 133 ? -12.33178 -14.14215 11.49918  1.000 26.55086  ? 132 CYS A SG  1 
ATOM   893  N  N   . MET A 1 134 ? -11.47573 -15.92923 6.95190   1.000 21.41749  ? 133 MET A N   1 
ATOM   894  C  CA  . MET A 1 134 ? -11.80472 -16.30778 5.58093   1.000 23.84950  ? 133 MET A CA  1 
ATOM   895  C  C   . MET A 1 134 ? -12.00915 -17.80811 5.48297   1.000 21.91623  ? 133 MET A C   1 
ATOM   896  O  O   . MET A 1 134 ? -11.75878 -18.55723 6.43050   1.000 24.04782  ? 133 MET A O   1 
ATOM   897  C  CB  . MET A 1 134 ? -10.71025 -15.88336 4.58378   1.000 27.57384  ? 133 MET A CB  1 
ATOM   898  C  CG  . MET A 1 134 ? -9.85936  -14.74506 5.05682   1.000 34.24425  ? 133 MET A CG  1 
ATOM   899  S  SD  . MET A 1 134 ? -8.54390  -14.35270 3.90004   1.000 30.64798  ? 133 MET A SD  1 
ATOM   900  C  CE  . MET A 1 134 ? -7.99398  -12.79646 4.61135   1.000 34.89338  ? 133 MET A CE  1 
ATOM   901  N  N   . ASP A 1 135 ? -12.46424 -18.24253 4.31005   1.000 23.25599  ? 134 ASP A N   1 
ATOM   902  C  CA  . ASP A 1 135 ? -12.60032 -19.65935 4.02973   1.000 27.79381  ? 134 ASP A CA  1 
ATOM   903  C  C   . ASP A 1 135 ? -12.23370 -19.91999 2.58008   1.000 28.38868  ? 134 ASP A C   1 
ATOM   904  O  O   . ASP A 1 135 ? -12.42242 -19.06530 1.70979   1.000 29.48405  ? 134 ASP A O   1 
ATOM   905  C  CB  . ASP A 1 135 ? -14.02515 -20.17134 4.28845   1.000 27.53064  ? 134 ASP A CB  1 
ATOM   906  C  CG  . ASP A 1 135 ? -14.33965 -20.27911 5.76034   1.000 31.87073  ? 134 ASP A CG  1 
ATOM   907  O  OD1 . ASP A 1 135 ? -13.75086 -21.16163 6.43251   1.000 28.49417  ? 134 ASP A OD1 1 
ATOM   908  O  OD2 . ASP A 1 135 ? -15.16834 -19.47193 6.23878   1.000 29.11877  ? 134 ASP A OD2 1 
ATOM   909  N  N   . LYS A 1 136 ? -11.70200 -21.10964 2.33168   1.000 24.53143  ? 135 LYS A N   1 
ATOM   910  C  CA  . LYS A 1 136 ? -11.54537 -21.56938 0.95875   1.000 27.31106  ? 135 LYS A CA  1 
ATOM   911  C  C   . LYS A 1 136 ? -12.90408 -21.97236 0.41398   1.000 39.61779  ? 135 LYS A C   1 
ATOM   912  O  O   . LYS A 1 136 ? -13.75280 -22.48627 1.14448   1.000 35.55064  ? 135 LYS A O   1 
ATOM   913  C  CB  . LYS A 1 136 ? -10.57805 -22.74705 0.89551   1.000 35.39250  ? 135 LYS A CB  1 
ATOM   914  C  CG  . LYS A 1 136 ? -9.13754  -22.33064 0.88354   1.000 38.91503  ? 135 LYS A CG  1 
ATOM   915  C  CD  . LYS A 1 136 ? -8.35444  -23.15761 1.86933   1.000 46.01575  ? 135 LYS A CD  1 
ATOM   916  C  CE  . LYS A 1 136 ? -8.17488  -24.56298 1.34819   1.000 40.64818  ? 135 LYS A CE  1 
ATOM   917  N  NZ  . LYS A 1 136 ? -6.83543  -25.08942 1.69517   1.000 46.21522  ? 135 LYS A NZ  1 
ATOM   918  N  N   . LEU A 1 137 ? -13.11975 -21.71614 -0.86881  1.000 47.06659  ? 136 LEU A N   1 
ATOM   919  C  CA  . LEU A 1 137 ? -14.41611 -21.99374 -1.46857  1.000 50.05187  ? 136 LEU A CA  1 
ATOM   920  C  C   . LEU A 1 137 ? -14.44104 -23.41242 -2.00938  1.000 57.18401  ? 136 LEU A C   1 
ATOM   921  O  O   . LEU A 1 137 ? -13.44854 -23.88717 -2.56758  1.000 53.73313  ? 136 LEU A O   1 
ATOM   922  C  CB  . LEU A 1 137 ? -14.71995 -20.99557 -2.58052  1.000 47.78955  ? 136 LEU A CB  1 
ATOM   923  C  CG  . LEU A 1 137 ? -15.24412 -19.64592 -2.09559  1.000 47.26089  ? 136 LEU A CG  1 
ATOM   924  C  CD1 . LEU A 1 137 ? -15.67759 -18.79416 -3.27843  1.000 50.96515  ? 136 LEU A CD1 1 
ATOM   925  C  CD2 . LEU A 1 137 ? -16.37436 -19.82367 -1.09001  1.000 51.58106  ? 136 LEU A CD2 1 
ATOM   926  N  N   . PRO A 1 145 ? -12.61651 -27.22938 -7.61671  1.000 74.52434  ? 144 PRO A N   1 
ATOM   927  C  CA  . PRO A 1 145 ? -12.24792 -25.83088 -7.36438  1.000 86.45917  ? 144 PRO A CA  1 
ATOM   928  C  C   . PRO A 1 145 ? -12.08446 -25.02263 -8.65654  1.000 90.00525  ? 144 PRO A C   1 
ATOM   929  O  O   . PRO A 1 145 ? -11.50139 -25.51631 -9.62538  1.000 83.32494  ? 144 PRO A O   1 
ATOM   930  C  CB  . PRO A 1 145 ? -10.91586 -25.95160 -6.61998  1.000 75.68692  ? 144 PRO A CB  1 
ATOM   931  C  CG  . PRO A 1 145 ? -10.31403 -27.21811 -7.14455  1.000 81.20094  ? 144 PRO A CG  1 
ATOM   932  C  CD  . PRO A 1 145 ? -11.46317 -28.14033 -7.49778  1.000 82.18176  ? 144 PRO A CD  1 
ATOM   933  N  N   . ARG A 1 146 ? -12.58849 -23.78980 -8.66131  1.000 81.90968  ? 145 ARG A N   1 
ATOM   934  C  CA  . ARG A 1 146 ? -12.58389 -22.98568 -9.87614  1.000 71.70322  ? 145 ARG A CA  1 
ATOM   935  C  C   . ARG A 1 146 ? -11.17358 -22.53515 -10.23595 1.000 71.25862  ? 145 ARG A C   1 
ATOM   936  O  O   . ARG A 1 146 ? -10.35942 -22.19623 -9.36832  1.000 54.27338  ? 145 ARG A O   1 
ATOM   937  C  CB  . ARG A 1 146 ? -13.49529 -21.76614 -9.72217  1.000 70.73870  ? 145 ARG A CB  1 
ATOM   938  C  CG  . ARG A 1 146 ? -13.51513 -20.84809 -10.94416 1.000 68.81574  ? 145 ARG A CG  1 
ATOM   939  C  CD  . ARG A 1 146 ? -14.01524 -19.46348 -10.58698 1.000 65.39838  ? 145 ARG A CD  1 
ATOM   940  N  NE  . ARG A 1 146 ? -14.71098 -19.47162 -9.30584  1.000 66.40408  ? 145 ARG A NE  1 
ATOM   941  C  CZ  . ARG A 1 146 ? -14.78781 -18.43137 -8.48776  1.000 65.84045  ? 145 ARG A CZ  1 
ATOM   942  N  NH1 . ARG A 1 146 ? -14.22182 -17.27242 -8.78632  1.000 58.04273  ? 145 ARG A NH1 1 
ATOM   943  N  NH2 . ARG A 1 146 ? -15.45452 -18.55467 -7.34380  1.000 75.29306  ? 145 ARG A NH2 1 
ATOM   944  N  N   . ALA A 1 147 ? -10.89296 -22.53402 -11.53397 1.000 62.14916  ? 146 ALA A N   1 
ATOM   945  C  CA  . ALA A 1 147 ? -9.62087  -22.05590 -12.03868 1.000 59.56946  ? 146 ALA A CA  1 
ATOM   946  C  C   . ALA A 1 147 ? -9.60858  -20.53196 -12.12830 1.000 43.84258  ? 146 ALA A C   1 
ATOM   947  O  O   . ALA A 1 147 ? -10.63456 -19.88165 -12.36591 1.000 40.45582  ? 146 ALA A O   1 
ATOM   948  C  CB  . ALA A 1 147 ? -9.33072  -22.66957 -13.41075 1.000 56.24397  ? 146 ALA A CB  1 
ATOM   949  N  N   . LEU A 1 148 ? -8.43255  -19.97054 -11.91868 1.000 38.02153  ? 147 LEU A N   1 
ATOM   950  C  CA  . LEU A 1 148 ? -8.22451  -18.55337 -12.15604 1.000 34.54550  ? 147 LEU A CA  1 
ATOM   951  C  C   . LEU A 1 148 ? -8.58020  -18.22521 -13.60591 1.000 34.64018  ? 147 LEU A C   1 
ATOM   952  O  O   . LEU A 1 148 ? -8.08943  -18.90222 -14.51959 1.000 36.00030  ? 147 LEU A O   1 
ATOM   953  C  CB  . LEU A 1 148 ? -6.76402  -18.20783 -11.89056 1.000 33.53736  ? 147 LEU A CB  1 
ATOM   954  C  CG  . LEU A 1 148 ? -6.31510  -16.76129 -12.03837 1.000 27.42659  ? 147 LEU A CG  1 
ATOM   955  C  CD1 . LEU A 1 148 ? -6.89189  -15.94501 -10.89659 1.000 32.13281  ? 147 LEU A CD1 1 
ATOM   956  C  CD2 . LEU A 1 148 ? -4.80249  -16.70603 -12.01675 1.000 25.35122  ? 147 LEU A CD2 1 
ATOM   957  N  N   . PRO A 1 149 ? -9.42503  -17.22364 -13.85923 1.000 29.52854  ? 148 PRO A N   1 
ATOM   958  C  CA  . PRO A 1 149 ? -9.68807  -16.79841 -15.24692 1.000 31.83308  ? 148 PRO A CA  1 
ATOM   959  C  C   . PRO A 1 149 ? -8.40732  -16.33726 -15.91550 1.000 28.11492  ? 148 PRO A C   1 
ATOM   960  O  O   . PRO A 1 149 ? -7.57021  -15.66682 -15.29033 1.000 27.21070  ? 148 PRO A O   1 
ATOM   961  C  CB  . PRO A 1 149 ? -10.67127 -15.62886 -15.09100 1.000 36.06055  ? 148 PRO A CB  1 
ATOM   962  C  CG  . PRO A 1 149 ? -11.25164 -15.78240 -13.72510 1.000 37.52023  ? 148 PRO A CG  1 
ATOM   963  C  CD  . PRO A 1 149 ? -10.22536 -16.46605 -12.88345 1.000 37.22418  ? 148 PRO A CD  1 
ATOM   964  N  N   . PRO A 1 150 ? -8.23360  -16.64848 -17.19912 1.000 29.15781  ? 149 PRO A N   1 
ATOM   965  C  CA  . PRO A 1 150 ? -6.92577  -16.40353 -17.82596 1.000 27.29271  ? 149 PRO A CA  1 
ATOM   966  C  C   . PRO A 1 150 ? -6.51356  -14.94293 -17.80442 1.000 26.90551  ? 149 PRO A C   1 
ATOM   967  O  O   . PRO A 1 150 ? -5.32318  -14.65199 -17.62756 1.000 28.42591  ? 149 PRO A O   1 
ATOM   968  C  CB  . PRO A 1 150 ? -7.12110  -16.93850 -19.25110 1.000 29.58127  ? 149 PRO A CB  1 
ATOM   969  C  CG  . PRO A 1 150 ? -8.60905  -16.93880 -19.46643 1.000 33.28229  ? 149 PRO A CG  1 
ATOM   970  C  CD  . PRO A 1 150 ? -9.20063  -17.25074 -18.12225 1.000 32.63893  ? 149 PRO A CD  1 
ATOM   971  N  N   . GLU A 1 151 ? -7.46131  -14.01064 -17.96383 1.000 28.21128  ? 150 GLU A N   1 
ATOM   972  C  CA  . GLU A 1 151 ? -7.11647  -12.59158 -17.99344 1.000 29.05643  ? 150 GLU A CA  1 
ATOM   973  C  C   . GLU A 1 151 ? -6.77317  -12.03579 -16.61985 1.000 30.88450  ? 150 GLU A C   1 
ATOM   974  O  O   . GLU A 1 151 ? -6.25644  -10.91542 -16.54476 1.000 29.34928  ? 150 GLU A O   1 
ATOM   975  C  CB  . GLU A 1 151 ? -8.26453  -11.76124 -18.57229 1.000 36.60084  ? 150 GLU A CB  1 
ATOM   976  C  CG  . GLU A 1 151 ? -9.47754  -11.64938 -17.65251 0.000 36.81249  ? 150 GLU A CG  1 
ATOM   977  C  CD  . GLU A 1 151 ? -10.54050 -12.68876 -17.94113 0.000 40.41243  ? 150 GLU A CD  1 
ATOM   978  O  OE1 . GLU A 1 151 ? -10.16643 -13.83683 -18.26166 1.000 47.27743  ? 150 GLU A OE1 1 
ATOM   979  O  OE2 . GLU A 1 151 ? -11.74557 -12.35912 -17.83391 1.000 62.69215  ? 150 GLU A OE2 1 
ATOM   980  N  N   . GLN A 1 152 ? -7.06021  -12.77798 -15.55302 1.000 27.25262  ? 151 GLN A N   1 
ATOM   981  C  CA  . GLN A 1 152 ? -6.88775  -12.26255 -14.19809 1.000 32.87042  ? 151 GLN A CA  1 
ATOM   982  C  C   . GLN A 1 152 ? -5.42800  -11.93181 -13.90867 1.000 32.10751  ? 151 GLN A C   1 
ATOM   983  O  O   . GLN A 1 152 ? -4.51160  -12.63905 -14.33206 1.000 27.90173  ? 151 GLN A O   1 
ATOM   984  C  CB  . GLN A 1 152 ? -7.41930  -13.27072 -13.18077 1.000 37.30732  ? 151 GLN A CB  1 
ATOM   985  C  CG  . GLN A 1 152 ? -7.76020  -12.69523 -11.81386 0.000 37.74652  ? 151 GLN A CG  1 
ATOM   986  C  CD  . GLN A 1 152 ? -8.58867  -11.44040 -11.88809 1.000 46.57227  ? 151 GLN A CD  1 
ATOM   987  O  OE1 . GLN A 1 152 ? -8.07140  -10.33391 -11.71763 1.000 48.84347  ? 151 GLN A OE1 1 
ATOM   988  N  NE2 . GLN A 1 152 ? -9.87905  -11.59589 -12.17149 1.000 49.83591  ? 151 GLN A NE2 1 
ATOM   989  N  N   . GLN A 1 153 ? -5.23906  -10.86201 -13.14320 1.000 35.42257  ? 152 GLN A N   1 
ATOM   990  C  CA  . GLN A 1 153 ? -3.99789  -10.12783 -12.95137 1.000 33.82683  ? 152 GLN A CA  1 
ATOM   991  C  C   . GLN A 1 153 ? -3.90578  -9.75616  -11.47942 1.000 29.78068  ? 152 GLN A C   1 
ATOM   992  O  O   . GLN A 1 153 ? -4.91030  -9.33371  -10.90467 1.000 31.16394  ? 152 GLN A O   1 
ATOM   993  C  CB  . GLN A 1 153 ? -4.03661  -8.83282  -13.76533 1.000 38.22380  ? 152 GLN A CB  1 
ATOM   994  C  CG  . GLN A 1 153 ? -2.74660  -8.07819  -13.91480 1.000 47.77778  ? 152 GLN A CG  1 
ATOM   995  C  CD  . GLN A 1 153 ? -2.56571  -7.55737  -15.31584 1.000 46.55521  ? 152 GLN A CD  1 
ATOM   996  O  OE1 . GLN A 1 153 ? -3.51542  -7.52230  -16.10605 1.000 52.16662  ? 152 GLN A OE1 1 
ATOM   997  N  NE2 . GLN A 1 153 ? -1.35887  -7.11886  -15.62930 1.000 49.87618  ? 152 GLN A NE2 1 
ATOM   998  N  N   . PHE A 1 154 ? -2.72147  -9.88391  -10.87180 1.000 29.07577  ? 153 PHE A N   1 
ATOM   999  C  CA  . PHE A 1 154 ? -2.51361  -9.45106  -9.48907  1.000 25.44759  ? 153 PHE A CA  1 
ATOM   1000 C  C   . PHE A 1 154 ? -1.30999  -8.51983  -9.39840  1.000 31.75353  ? 153 PHE A C   1 
ATOM   1001 O  O   . PHE A 1 154 ? -0.47772  -8.45464  -10.30706 1.000 34.01747  ? 153 PHE A O   1 
ATOM   1002 C  CB  . PHE A 1 154 ? -2.30924  -10.64270 -8.52702  1.000 24.40289  ? 153 PHE A CB  1 
ATOM   1003 C  CG  . PHE A 1 154 ? -3.44448  -11.61588 -8.52847  1.000 23.79634  ? 153 PHE A CG  1 
ATOM   1004 C  CD1 . PHE A 1 154 ? -4.61012  -11.33421 -7.84306  1.000 24.62493  ? 153 PHE A CD1 1 
ATOM   1005 C  CD2 . PHE A 1 154 ? -3.35620  -12.81201 -9.23528  1.000 27.97522  ? 153 PHE A CD2 1 
ATOM   1006 C  CE1 . PHE A 1 154 ? -5.65881  -12.21362 -7.85274  1.000 29.22708  ? 153 PHE A CE1 1 
ATOM   1007 C  CE2 . PHE A 1 154 ? -4.41524  -13.70886 -9.24003  1.000 27.46365  ? 153 PHE A CE2 1 
ATOM   1008 C  CZ  . PHE A 1 154 ? -5.56256  -13.40715 -8.55069  1.000 29.60590  ? 153 PHE A CZ  1 
ATOM   1009 N  N   . GLU A 1 155 ? -1.21559  -7.80070  -8.27748  1.000 29.53782  ? 154 GLU A N   1 
ATOM   1010 C  CA  . GLU A 1 155 ? -0.10173  -6.88890  -8.02782  1.000 33.20935  ? 154 GLU A CA  1 
ATOM   1011 C  C   . GLU A 1 155 ? 0.38001   -7.12034  -6.60187  1.000 37.12961  ? 154 GLU A C   1 
ATOM   1012 O  O   . GLU A 1 155 ? -0.41010  -6.95220  -5.65113  1.000 37.20710  ? 154 GLU A O   1 
ATOM   1013 C  CB  . GLU A 1 155 ? -0.51673  -5.42755  -8.24186  1.000 45.64901  ? 154 GLU A CB  1 
ATOM   1014 C  CG  . GLU A 1 155 ? 0.61522   -4.38943  -8.15003  1.000 46.29483  ? 154 GLU A CG  1 
ATOM   1015 C  CD  . GLU A 1 155 ? 1.77929   -4.67885  -9.10111  1.000 63.40441  ? 154 GLU A CD  1 
ATOM   1016 O  OE1 . GLU A 1 155 ? 1.54580   -4.83078  -10.32592 1.000 66.83078  ? 154 GLU A OE1 1 
ATOM   1017 O  OE2 . GLU A 1 155 ? 2.93409   -4.73649  -8.62112  1.000 65.45279  ? 154 GLU A OE2 1 
ATOM   1018 N  N   . PRO A 1 156 ? 1.64098   -7.52472  -6.39144  1.000 36.91155  ? 155 PRO A N   1 
ATOM   1019 C  CA  . PRO A 1 156 ? 2.65333   -7.88705  -7.39646  1.000 39.94053  ? 155 PRO A CA  1 
ATOM   1020 C  C   . PRO A 1 156 ? 2.23719   -9.09738  -8.22193  1.000 33.11814  ? 155 PRO A C   1 
ATOM   1021 O  O   . PRO A 1 156 ? 1.45610   -9.94406  -7.78656  1.000 32.90630  ? 155 PRO A O   1 
ATOM   1022 C  CB  . PRO A 1 156 ? 3.90133   -8.17403  -6.55135  1.000 45.91625  ? 155 PRO A CB  1 
ATOM   1023 C  CG  . PRO A 1 156 ? 3.37701   -8.50889  -5.18443  1.000 49.83282  ? 155 PRO A CG  1 
ATOM   1024 C  CD  . PRO A 1 156 ? 2.17614   -7.62381  -5.02218  1.000 41.89771  ? 155 PRO A CD  1 
ATOM   1025 N  N   . PRO A 1 157 ? 2.73837   -9.15235  -9.45045  1.000 34.10205  ? 156 PRO A N   1 
ATOM   1026 C  CA  . PRO A 1 157 ? 2.39027   -10.26005 -10.34060 1.000 33.30260  ? 156 PRO A CA  1 
ATOM   1027 C  C   . PRO A 1 157 ? 2.91751   -11.59317 -9.82775  1.000 29.08453  ? 156 PRO A C   1 
ATOM   1028 O  O   . PRO A 1 157 ? 3.92904   -11.66333 -9.12334  1.000 32.07432  ? 156 PRO A O   1 
ATOM   1029 C  CB  . PRO A 1 157 ? 3.04774   -9.86137  -11.66870 1.000 37.70867  ? 156 PRO A CB  1 
ATOM   1030 C  CG  . PRO A 1 157 ? 4.04711   -8.81381  -11.32347 1.000 41.16033  ? 156 PRO A CG  1 
ATOM   1031 C  CD  . PRO A 1 157 ? 3.51415   -8.10276  -10.13432 1.000 40.53407  ? 156 PRO A CD  1 
ATOM   1032 N  N   . LEU A 1 158 ? 2.21531   -12.65817 -10.20768 1.000 22.77425  ? 157 LEU A N   1 
ATOM   1033 C  CA  . LEU A 1 158 ? 2.52703   -14.02013 -9.80341  1.000 25.90501  ? 157 LEU A CA  1 
ATOM   1034 C  C   . LEU A 1 158 ? 3.42840   -14.70972 -10.82047 1.000 33.29869  ? 157 LEU A C   1 
ATOM   1035 O  O   . LEU A 1 158 ? 3.40593   -14.39800 -12.01320 1.000 31.14808  ? 157 LEU A O   1 
ATOM   1036 C  CB  . LEU A 1 158 ? 1.23844   -14.83538 -9.64833  1.000 24.64989  ? 157 LEU A CB  1 
ATOM   1037 C  CG  . LEU A 1 158 ? 0.23298   -14.40885 -8.57733  1.000 25.50089  ? 157 LEU A CG  1 
ATOM   1038 C  CD1 . LEU A 1 158 ? -0.95797  -15.35805 -8.57675  1.000 26.20510  ? 157 LEU A CD1 1 
ATOM   1039 C  CD2 . LEU A 1 158 ? 0.91158   -14.39762 -7.22483  1.000 30.03411  ? 157 LEU A CD2 1 
ATOM   1040 N  N   . GLN A 1 159 ? 4.20910   -15.66993 -10.33526 1.000 28.36073  ? 158 GLN A N   1 
ATOM   1041 C  CA  . GLN A 1 159 ? 4.91901   -16.58693 -11.21377 1.000 28.79650  ? 158 GLN A CA  1 
ATOM   1042 C  C   . GLN A 1 159 ? 3.93996   -17.59982 -11.81467 1.000 21.26833  ? 158 GLN A C   1 
ATOM   1043 O  O   . GLN A 1 159 ? 2.85570   -17.82362 -11.27332 1.000 21.24884  ? 158 GLN A O   1 
ATOM   1044 C  CB  . GLN A 1 159 ? 6.02516   -17.30186 -10.43852 1.000 35.15033  ? 158 GLN A CB  1 
ATOM   1045 C  CG  . GLN A 1 159 ? 7.18950   -16.40115 -10.02498 1.000 41.00548  ? 158 GLN A CG  1 
ATOM   1046 C  CD  . GLN A 1 159 ? 7.66836   -15.48417 -11.15747 1.000 54.30362  ? 158 GLN A CD  1 
ATOM   1047 O  OE1 . GLN A 1 159 ? 8.04713   -15.95179 -12.24330 1.000 44.19748  ? 158 GLN A OE1 1 
ATOM   1048 N  NE2 . GLN A 1 159 ? 7.66617   -14.17648 -10.90260 1.000 53.84730  ? 158 GLN A NE2 1 
ATOM   1049 N  N   . PRO A 1 160 ? 4.29881   -18.22021 -12.94368 1.000 23.06167  ? 159 PRO A N   1 
ATOM   1050 C  CA  . PRO A 1 160 ? 3.36136   -19.16916 -13.57871 1.000 22.19993  ? 159 PRO A CA  1 
ATOM   1051 C  C   . PRO A 1 160 ? 2.91676   -20.28727 -12.65869 1.000 24.57403  ? 159 PRO A C   1 
ATOM   1052 O  O   . PRO A 1 160 ? 1.73365   -20.64982 -12.66005 1.000 25.12233  ? 159 PRO A O   1 
ATOM   1053 C  CB  . PRO A 1 160 ? 4.15440   -19.71150 -14.77922 1.000 23.33926  ? 159 PRO A CB  1 
ATOM   1054 C  CG  . PRO A 1 160 ? 5.23206   -18.72973 -15.02379 1.000 23.21468  ? 159 PRO A CG  1 
ATOM   1055 C  CD  . PRO A 1 160 ? 5.52213   -18.01360 -13.74144 1.000 26.46231  ? 159 PRO A CD  1 
ATOM   1056 N  N   . ARG A 1 161 ? 3.82552   -20.84039 -11.85520 1.000 23.85043  ? 160 ARG A N   1 
ATOM   1057 C  CA  . ARG A 1 161 ? 3.42524   -21.90888 -10.95423 1.000 24.85623  ? 160 ARG A CA  1 
ATOM   1058 C  C   . ARG A 1 161 ? 2.43366   -21.40393 -9.91853  1.000 23.52484  ? 160 ARG A C   1 
ATOM   1059 O  O   . ARG A 1 161 ? 1.54419   -22.15100 -9.49647  1.000 25.89288  ? 160 ARG A O   1 
ATOM   1060 C  CB  . ARG A 1 161 ? 4.65474   -22.52001 -10.27343 1.000 28.13553  ? 160 ARG A CB  1 
ATOM   1061 N  N   . GLU A 1 162 ? 2.55330   -20.13548 -9.51652  1.000 23.70524  ? 161 GLU A N   1 
ATOM   1062 C  CA  . GLU A 1 162 ? 1.60090   -19.57265 -8.56021  1.000 22.13943  ? 161 GLU A CA  1 
ATOM   1063 C  C   . GLU A 1 162 ? 0.24447   -19.32266 -9.21079  1.000 22.81702  ? 161 GLU A C   1 
ATOM   1064 O  O   . GLU A 1 162 ? -0.79451  -19.54140 -8.58646  1.000 21.51529  ? 161 GLU A O   1 
ATOM   1065 C  CB  . GLU A 1 162 ? 2.16061   -18.28496 -7.95842  1.000 25.86678  ? 161 GLU A CB  1 
ATOM   1066 C  CG  . GLU A 1 162 ? 3.39132   -18.52673 -7.11769  1.000 26.41097  ? 161 GLU A CG  1 
ATOM   1067 C  CD  . GLU A 1 162 ? 4.11361   -17.25990 -6.73558  1.000 37.07770  ? 161 GLU A CD  1 
ATOM   1068 O  OE1 . GLU A 1 162 ? 4.06706   -16.28201 -7.50522  1.000 28.61615  ? 161 GLU A OE1 1 
ATOM   1069 O  OE2 . GLU A 1 162 ? 4.74132   -17.24637 -5.65589  1.000 43.76110  ? 161 GLU A OE2 1 
ATOM   1070 N  N   . ARG A 1 163 ? 0.22490   -18.87499 -10.47053 1.000 20.28265  ? 162 ARG A N   1 
ATOM   1071 C  CA  . ARG A 1 163 ? -1.05415  -18.72212 -11.15563 1.000 23.11202  ? 162 ARG A CA  1 
ATOM   1072 C  C   . ARG A 1 163 ? -1.80710  -20.04264 -11.21652 1.000 24.90250  ? 162 ARG A C   1 
ATOM   1073 O  O   . ARG A 1 163 ? -3.04143  -20.06130 -11.14301 1.000 24.35879  ? 162 ARG A O   1 
ATOM   1074 C  CB  . ARG A 1 163 ? -0.83672  -18.18135 -12.56982 1.000 21.72536  ? 162 ARG A CB  1 
ATOM   1075 C  CG  . ARG A 1 163 ? -0.48970  -16.70318 -12.61510 1.000 21.34319  ? 162 ARG A CG  1 
ATOM   1076 C  CD  . ARG A 1 163 ? -0.29601  -16.22403 -14.05257 1.000 22.27627  ? 162 ARG A CD  1 
ATOM   1077 N  NE  . ARG A 1 163 ? -1.52410  -16.20724 -14.83778 1.000 23.26199  ? 162 ARG A NE  1 
ATOM   1078 C  CZ  . ARG A 1 163 ? -2.47454  -15.27992 -14.74798 1.000 24.32999  ? 162 ARG A CZ  1 
ATOM   1079 N  NH1 . ARG A 1 163 ? -2.39881  -14.29102 -13.87663 1.000 25.72297  ? 162 ARG A NH1 1 
ATOM   1080 N  NH2 . ARG A 1 163 ? -3.53306  -15.35928 -15.53683 1.000 24.60075  ? 162 ARG A NH2 1 
ATOM   1081 N  N   . GLU A 1 164 ? -1.08757  -21.15940 -11.34081 1.000 22.00106  ? 163 GLU A N   1 
ATOM   1082 C  CA  . GLU A 1 164 ? -1.77393  -22.44038 -11.42503 1.000 27.71999  ? 163 GLU A CA  1 
ATOM   1083 C  C   . GLU A 1 164 ? -2.34087  -22.84343 -10.07858 1.000 27.15469  ? 163 GLU A C   1 
ATOM   1084 O  O   . GLU A 1 164 ? -3.33314  -23.58089 -10.02242 1.000 27.18802  ? 163 GLU A O   1 
ATOM   1085 C  CB  . GLU A 1 164 ? -0.82424  -23.53336 -11.92692 1.000 28.79261  ? 163 GLU A CB  1 
ATOM   1086 C  CG  . GLU A 1 164 ? -0.42431  -23.43471 -13.38107 1.000 38.25537  ? 163 GLU A CG  1 
ATOM   1087 C  CD  . GLU A 1 164 ? -1.55121  -23.75430 -14.35005 1.000 37.73982  ? 163 GLU A CD  1 
ATOM   1088 O  OE1 . GLU A 1 164 ? -1.38054  -23.45218 -15.55547 1.000 48.45901  ? 163 GLU A OE1 1 
ATOM   1089 O  OE2 . GLU A 1 164 ? -2.58490  -24.30850 -13.92173 0.000 38.14805  ? 163 GLU A OE2 1 
ATOM   1090 N  N   . ALA A 1 165 ? -1.72267  -22.37377 -8.99201  1.000 22.77915  ? 164 ALA A N   1 
ATOM   1091 C  CA  . ALA A 1 165 ? -2.06388  -22.82258 -7.64745  1.000 26.49395  ? 164 ALA A CA  1 
ATOM   1092 C  C   . ALA A 1 165 ? -3.10760  -21.95977 -6.94929  1.000 27.96995  ? 164 ALA A C   1 
ATOM   1093 O  O   . ALA A 1 165 ? -3.67271  -22.39253 -5.93898  1.000 27.20018  ? 164 ALA A O   1 
ATOM   1094 C  CB  . ALA A 1 165 ? -0.79526  -22.86489 -6.78396  1.000 26.00822  ? 164 ALA A CB  1 
ATOM   1095 N  N   . VAL A 1 166 ? -3.38119  -20.75821 -7.45004  1.000 22.42696  ? 165 VAL A N   1 
ATOM   1096 C  CA  A VAL A 1 166 ? -4.32321  -19.83973 -6.80988  0.440 24.82461  ? 165 VAL A CA  1 
ATOM   1097 C  CA  B VAL A 1 166 ? -4.29794  -19.88074 -6.73524  0.560 24.86267  ? 165 VAL A CA  1 
ATOM   1098 C  C   . VAL A 1 166 ? -5.72168  -20.44913 -6.75913  1.000 27.68488  ? 165 VAL A C   1 
ATOM   1099 O  O   . VAL A 1 166 ? -6.18379  -21.04303 -7.74210  1.000 27.99819  ? 165 VAL A O   1 
ATOM   1100 C  CB  A VAL A 1 166 ? -4.31424  -18.51106 -7.58514  0.440 29.17782  ? 165 VAL A CB  1 
ATOM   1101 C  CB  B VAL A 1 166 ? -4.20997  -18.45535 -7.30653  0.560 29.37997  ? 165 VAL A CB  1 
ATOM   1102 C  CG1 A VAL A 1 166 ? -5.54182  -17.67652 -7.28436  0.440 26.32196  ? 165 VAL A CG1 1 
ATOM   1103 C  CG1 B VAL A 1 166 ? -4.76334  -18.40089 -8.70859  0.560 21.88407  ? 165 VAL A CG1 1 
ATOM   1104 C  CG2 A VAL A 1 166 ? -3.05919  -17.74773 -7.26364  0.440 26.97554  ? 165 VAL A CG2 1 
ATOM   1105 C  CG2 B VAL A 1 166 ? -4.88668  -17.45772 -6.37934  0.560 28.29692  ? 165 VAL A CG2 1 
ATOM   1106 N  N   A ARG A 1 167 ? -6.40436  -20.30249 -5.62348  0.500 24.40617  ? 166 ARG A N   1 
ATOM   1107 N  N   B ARG A 1 167 ? -6.42782  -20.28763 -5.64420  0.500 24.39554  ? 166 ARG A N   1 
ATOM   1108 C  CA  A ARG A 1 167 ? -7.72991  -20.87643 -5.42564  0.500 26.82005  ? 166 ARG A CA  1 
ATOM   1109 C  CA  B ARG A 1 167 ? -7.74975  -20.87628 -5.48594  0.500 26.78092  ? 166 ARG A CA  1 
ATOM   1110 C  C   A ARG A 1 167 ? -8.68136  -19.82556 -4.87093  0.500 25.90917  ? 166 ARG A C   1 
ATOM   1111 C  C   B ARG A 1 167 ? -8.68684  -19.85721 -4.85566  0.500 25.88365  ? 166 ARG A C   1 
ATOM   1112 O  O   A ARG A 1 167 ? -8.24770  -18.89542 -4.18540  0.500 23.81776  ? 166 ARG A O   1 
ATOM   1113 O  O   B ARG A 1 167 ? -8.24512  -18.98535 -4.09915  0.500 23.75607  ? 166 ARG A O   1 
ATOM   1114 C  CB  A ARG A 1 167 ? -7.68317  -22.07517 -4.46166  0.500 32.22130  ? 166 ARG A CB  1 
ATOM   1115 C  CB  B ARG A 1 167 ? -7.71228  -22.14974 -4.62052  0.500 32.17761  ? 166 ARG A CB  1 
ATOM   1116 C  CG  A ARG A 1 167 ? -6.84925  -23.25408 -4.94650  0.500 27.76356  ? 166 ARG A CG  1 
ATOM   1117 C  CG  B ARG A 1 167 ? -6.97807  -21.99143 -3.30031  0.500 24.76417  ? 166 ARG A CG  1 
ATOM   1118 C  CD  A ARG A 1 167 ? -7.39461  -23.82221 -6.24289  0.500 32.75004  ? 166 ARG A CD  1 
ATOM   1119 C  CD  B ARG A 1 167 ? -7.13372  -23.23535 -2.41149  0.500 36.18962  ? 166 ARG A CD  1 
ATOM   1120 N  NE  A ARG A 1 167 ? -6.61800  -24.95921 -6.72375  0.500 39.15331  ? 166 ARG A NE  1 
ATOM   1121 N  NE  B ARG A 1 167 ? -8.45603  -23.84109 -2.53134  0.500 37.32466  ? 166 ARG A NE  1 
ATOM   1122 C  CZ  A ARG A 1 167 ? -5.74853  -24.89972 -7.72445  0.500 32.90836  ? 166 ARG A CZ  1 
ATOM   1123 C  CZ  B ARG A 1 167 ? -8.72557  -25.11913 -2.29993  0.500 36.33958  ? 166 ARG A CZ  1 
ATOM   1124 N  NH1 A ARG A 1 167 ? -5.47292  -23.75850 -8.33412  0.500 32.83919  ? 166 ARG A NH1 1 
ATOM   1125 N  NH1 B ARG A 1 167 ? -7.79095  -25.95943 -1.89024  0.500 42.00500  ? 166 ARG A NH1 1 
ATOM   1126 N  NH2 A ARG A 1 167 ? -5.14196  -26.01328 -8.12463  0.500 37.32548  ? 166 ARG A NH2 1 
ATOM   1127 N  NH2 B ARG A 1 167 ? -9.96586  -25.56432 -2.48208  0.500 37.89901  ? 166 ARG A NH2 1 
ATOM   1128 N  N   . PRO A 1 168 ? -9.98008  -19.93546 -5.15984  1.000 27.44591  ? 167 PRO A N   1 
ATOM   1129 C  CA  . PRO A 1 168 ? -10.91948 -18.92229 -4.66694  1.000 22.33812  ? 167 PRO A CA  1 
ATOM   1130 C  C   . PRO A 1 168 ? -11.20274 -19.07202 -3.18154  1.000 23.25242  ? 167 PRO A C   1 
ATOM   1131 O  O   . PRO A 1 168 ? -11.23182 -20.17580 -2.63592  1.000 28.12880  ? 167 PRO A O   1 
ATOM   1132 C  CB  . PRO A 1 168 ? -12.18920 -19.17868 -5.49171  1.000 32.17068  ? 167 PRO A CB  1 
ATOM   1133 C  CG  . PRO A 1 168 ? -12.09693 -20.60963 -5.87893  1.000 39.60854  ? 167 PRO A CG  1 
ATOM   1134 C  CD  . PRO A 1 168 ? -10.62760 -20.89462 -6.06964  1.000 32.75098  ? 167 PRO A CD  1 
ATOM   1135 N  N   . GLY A 1 169 ? -11.42417 -17.93210 -2.53525  1.000 23.39265  ? 168 GLY A N   1 
ATOM   1136 C  CA  . GLY A 1 169 ? -11.79041 -17.90600 -1.13265  1.000 27.06848  ? 168 GLY A CA  1 
ATOM   1137 C  C   . GLY A 1 169 ? -12.85926 -16.85582 -0.89794  1.000 32.21452  ? 168 GLY A C   1 
ATOM   1138 O  O   . GLY A 1 169 ? -13.22709 -16.11591 -1.80500  1.000 28.64787  ? 168 GLY A O   1 
ATOM   1139 N  N   . VAL A 1 170 ? -13.35565 -16.80008 0.33278   1.000 29.28822  ? 169 VAL A N   1 
ATOM   1140 C  CA  . VAL A 1 170 ? -14.28857 -15.75528 0.72989   1.000 28.35766  ? 169 VAL A CA  1 
ATOM   1141 C  C   . VAL A 1 170 ? -13.74285 -15.08634 1.98183   1.000 34.58558  ? 169 VAL A C   1 
ATOM   1142 O  O   . VAL A 1 170 ? -13.35990 -15.76644 2.94203   1.000 25.31588  ? 169 VAL A O   1 
ATOM   1143 C  CB  . VAL A 1 170 ? -15.71974 -16.29471 0.94923   1.000 36.62502  ? 169 VAL A CB  1 
ATOM   1144 C  CG1 . VAL A 1 170 ? -15.74968 -17.48952 1.90987   1.000 28.60034  ? 169 VAL A CG1 1 
ATOM   1145 C  CG2 . VAL A 1 170 ? -16.62964 -15.19406 1.43517   1.000 31.14535  ? 169 VAL A CG2 1 
ATOM   1146 N  N   . LEU A 1 171 ? -13.65135 -13.76274 1.94682   1.000 28.92763  ? 170 LEU A N   1 
ATOM   1147 C  CA  . LEU A 1 171 ? -13.29925 -12.97975 3.12380   1.000 28.41030  ? 170 LEU A CA  1 
ATOM   1148 C  C   . LEU A 1 171 ? -14.58719 -12.63489 3.86455   1.000 29.24834  ? 170 LEU A C   1 
ATOM   1149 O  O   . LEU A 1 171 ? -15.46361 -11.95653 3.31488   1.000 32.27898  ? 170 LEU A O   1 
ATOM   1150 C  CB  . LEU A 1 171 ? -12.54108 -11.71732 2.72239   1.000 31.10005  ? 170 LEU A CB  1 
ATOM   1151 C  CG  . LEU A 1 171 ? -12.35014 -10.62994 3.77718   1.000 33.09383  ? 170 LEU A CG  1 
ATOM   1152 C  CD1 . LEU A 1 171 ? -11.62623 -11.18824 4.98872   1.000 36.02287  ? 170 LEU A CD1 1 
ATOM   1153 C  CD2 . LEU A 1 171 ? -11.56599 -9.47842  3.18128   1.000 37.79663  ? 170 LEU A CD2 1 
ATOM   1154 N  N   . ARG A 1 172 ? -14.70057 -13.09563 5.11159   1.000 29.11551  ? 171 ARG A N   1 
ATOM   1155 C  CA  . ARG A 1 172 ? -15.95307 -13.01175 5.85056   1.000 31.22003  ? 171 ARG A CA  1 
ATOM   1156 C  C   . ARG A 1 172 ? -15.99872 -11.86961 6.85446   1.000 33.32113  ? 171 ARG A C   1 
ATOM   1157 O  O   . ARG A 1 172 ? -17.07106 -11.29820 7.05882   1.000 33.94556  ? 171 ARG A O   1 
ATOM   1158 C  CB  . ARG A 1 172 ? -16.22658 -14.33249 6.58195   1.000 31.71383  ? 171 ARG A CB  1 
ATOM   1159 C  CG  . ARG A 1 172 ? -16.48181 -15.51782 5.65264   1.000 30.86509  ? 171 ARG A CG  1 
ATOM   1160 C  CD  . ARG A 1 172 ? -17.12197 -16.65959 6.41992   1.000 38.48996  ? 171 ARG A CD  1 
ATOM   1161 N  NE  . ARG A 1 172 ? -17.30252 -17.86660 5.62065   1.000 35.75506  ? 171 ARG A NE  1 
ATOM   1162 C  CZ  . ARG A 1 172 ? -18.38266 -18.13421 4.90106   1.000 39.75505  ? 171 ARG A CZ  1 
ATOM   1163 N  NH1 . ARG A 1 172 ? -19.39285 -17.28163 4.82592   1.000 40.55944  ? 171 ARG A NH1 1 
ATOM   1164 N  NH2 . ARG A 1 172 ? -18.45173 -19.28628 4.23965   1.000 44.96800  ? 171 ARG A NH2 1 
ATOM   1165 N  N   . SER A 1 173 ? -14.87332 -11.51108 7.47481   1.000 32.09460  ? 172 SER A N   1 
ATOM   1166 C  CA  . SER A 1 173 ? -14.87936 -10.42837 8.44956   1.000 33.38143  ? 172 SER A CA  1 
ATOM   1167 C  C   . SER A 1 173 ? -13.45221 -9.98402  8.72653   1.000 26.57066  ? 172 SER A C   1 
ATOM   1168 O  O   . SER A 1 173 ? -12.49135 -10.72401 8.51172   1.000 25.18548  ? 172 SER A O   1 
ATOM   1169 C  CB  . SER A 1 173 ? -15.56099 -10.83903 9.75865   1.000 31.49703  ? 172 SER A CB  1 
ATOM   1170 O  OG  . SER A 1 173 ? -14.74818 -11.74798 10.47808  1.000 30.12311  ? 172 SER A OG  1 
ATOM   1171 N  N   . ARG A 1 174 ? -13.33667 -8.74839  9.20447   1.000 30.83178  ? 173 ARG A N   1 
ATOM   1172 C  CA  . ARG A 1 174 ? -12.05838 -8.21064  9.64879   1.000 32.79694  ? 173 ARG A CA  1 
ATOM   1173 C  C   . ARG A 1 174 ? -12.41540 -7.14372  10.67938  1.000 41.62979  ? 173 ARG A C   1 
ATOM   1174 O  O   . ARG A 1 174 ? -12.93374 -6.07739  10.32705  1.000 43.29385  ? 173 ARG A O   1 
ATOM   1175 C  CB  . ARG A 1 174 ? -11.24522 -7.65776  8.48339   1.000 35.76133  ? 173 ARG A CB  1 
ATOM   1176 C  CG  . ARG A 1 174 ? -10.18036 -6.64028  8.87146   1.000 37.66830  ? 173 ARG A CG  1 
ATOM   1177 C  CD  . ARG A 1 174 ? -9.49238  -6.04093  7.64553   1.000 41.78855  ? 173 ARG A CD  1 
ATOM   1178 N  NE  . ARG A 1 174 ? -9.34941  -6.98944  6.54865   1.000 54.31685  ? 173 ARG A NE  1 
ATOM   1179 C  CZ  . ARG A 1 174 ? -8.19678  -7.51110  6.15518   0.000 41.77030  ? 173 ARG A CZ  1 
ATOM   1180 N  NH1 . ARG A 1 174 ? -7.05503  -7.17976  6.73516   0.000 39.80640  ? 173 ARG A NH1 1 
ATOM   1181 N  NH2 . ARG A 1 174 ? -8.18741  -8.37367  5.14322   0.000 40.77662  ? 173 ARG A NH2 1 
ATOM   1182 N  N   . ALA A 1 175 ? -12.21156 -7.46829  11.95180  1.000 29.30639  ? 174 ALA A N   1 
ATOM   1183 C  CA  . ALA A 1 175 ? -12.57199 -6.57794  13.03936  1.000 22.73309  ? 174 ALA A CA  1 
ATOM   1184 C  C   . ALA A 1 175 ? -11.47522 -6.60685  14.09408  1.000 27.91185  ? 174 ALA A C   1 
ATOM   1185 O  O   . ALA A 1 175 ? -10.59142 -7.46931  14.08597  1.000 26.71899  ? 174 ALA A O   1 
ATOM   1186 C  CB  . ALA A 1 175 ? -13.92128 -6.96154  13.65722  1.000 32.08667  ? 174 ALA A CB  1 
ATOM   1187 N  N   . GLU A 1 176 ? -11.54534 -5.65108  15.01194  1.000 27.11833  ? 175 GLU A N   1 
ATOM   1188 C  CA  . GLU A 1 176 ? -10.60822 -5.56397  16.12164  1.000 27.46629  ? 175 GLU A CA  1 
ATOM   1189 C  C   . GLU A 1 176 ? -11.25801 -6.11969  17.38194  1.000 30.63908  ? 175 GLU A C   1 
ATOM   1190 O  O   . GLU A 1 176 ? -12.45259 -5.92191  17.61319  1.000 29.47067  ? 175 GLU A O   1 
ATOM   1191 C  CB  . GLU A 1 176 ? -10.16811 -4.11374  16.34565  1.000 29.33256  ? 175 GLU A CB  1 
ATOM   1192 C  CG  . GLU A 1 176 ? -9.42874  -3.52665  15.15458  1.000 34.93803  ? 175 GLU A CG  1 
ATOM   1193 C  CD  . GLU A 1 176 ? -8.84418  -2.14404  15.41796  1.000 39.12316  ? 175 GLU A CD  1 
ATOM   1194 O  OE1 . GLU A 1 176 ? -9.10808  -1.55772  16.49446  1.000 41.76637  ? 175 GLU A OE1 1 
ATOM   1195 O  OE2 . GLU A 1 176 ? -8.12553  -1.63958  14.52910  1.000 44.12619  ? 175 GLU A OE2 1 
ATOM   1196 N  N   . TYR A 1 177 ? -10.46484 -6.81661  18.19321  1.000 25.88857  ? 176 TYR A N   1 
ATOM   1197 C  CA  . TYR A 1 177 ? -10.93901 -7.43534  19.42086  1.000 25.97416  ? 176 TYR A CA  1 
ATOM   1198 C  C   . TYR A 1 177 ? -10.02276 -7.04725  20.57280  1.000 24.70749  ? 176 TYR A C   1 
ATOM   1199 O  O   . TYR A 1 177 ? -8.80635  -6.96677  20.40012  1.000 24.06373  ? 176 TYR A O   1 
ATOM   1200 C  CB  . TYR A 1 177 ? -11.00150 -8.97840  19.26060  1.000 23.81096  ? 176 TYR A CB  1 
ATOM   1201 C  CG  . TYR A 1 177 ? -11.88996 -9.42098  18.09580  1.000 27.80355  ? 176 TYR A CG  1 
ATOM   1202 C  CD1 . TYR A 1 177 ? -11.39050 -9.50075  16.79506  1.000 28.05821  ? 176 TYR A CD1 1 
ATOM   1203 C  CD2 . TYR A 1 177 ? -13.23112 -9.73985  18.30025  1.000 38.89100  ? 176 TYR A CD2 1 
ATOM   1204 C  CE1 . TYR A 1 177 ? -12.20703 -9.89529  15.72853  1.000 33.23437  ? 176 TYR A CE1 1 
ATOM   1205 C  CE2 . TYR A 1 177 ? -14.05405 -10.13382 17.24663  1.000 30.07893  ? 176 TYR A CE2 1 
ATOM   1206 C  CZ  . TYR A 1 177 ? -13.53948 -10.21910 15.96758  1.000 31.81361  ? 176 TYR A CZ  1 
ATOM   1207 O  OH  . TYR A 1 177 ? -14.36820 -10.61374 14.92965  1.000 35.17963  ? 176 TYR A OH  1 
ATOM   1208 N  N   . THR A 1 178 ? -10.60799 -6.81674  21.74519  1.000 23.47002  ? 177 THR A N   1 
ATOM   1209 C  CA  . THR A 1 178 ? -9.88080  -6.60020  22.99531  1.000 23.93505  ? 177 THR A CA  1 
ATOM   1210 C  C   . THR A 1 178 ? -10.33917 -7.60181  24.05716  1.000 23.22835  ? 177 THR A C   1 
ATOM   1211 O  O   . THR A 1 178 ? -11.17579 -8.47431  23.80789  1.000 26.61345  ? 177 THR A O   1 
ATOM   1212 C  CB  . THR A 1 178 ? -10.08812 -5.17617  23.52152  1.000 25.76564  ? 177 THR A CB  1 
ATOM   1213 O  OG1 . THR A 1 178 ? -11.43838 -5.02966  23.98850  1.000 31.43447  ? 177 THR A OG1 1 
ATOM   1214 C  CG2 . THR A 1 178 ? -9.82871  -4.15038  22.43120  1.000 26.69770  ? 177 THR A CG2 1 
ATOM   1215 N  N   . GLU A 1 179 ? -9.78823  -7.45820  25.26820  1.000 27.16215  ? 178 GLU A N   1 
ATOM   1216 C  CA  . GLU A 1 179 ? -10.20521 -8.32324  26.36865  1.000 30.41157  ? 178 GLU A CA  1 
ATOM   1217 C  C   . GLU A 1 179 ? -11.68553 -8.17267  26.67757  1.000 34.54369  ? 178 GLU A C   1 
ATOM   1218 O  O   . GLU A 1 179 ? -12.26844 -9.06321  27.30648  1.000 36.40711  ? 178 GLU A O   1 
ATOM   1219 C  CB  . GLU A 1 179 ? -9.36954  -8.04399  27.62639  1.000 29.83485  ? 178 GLU A CB  1 
ATOM   1220 C  CG  . GLU A 1 179 ? -9.46790  -6.62850  28.19863  1.000 32.87765  ? 178 GLU A CG  1 
ATOM   1221 C  CD  . GLU A 1 179 ? -10.72627 -6.40681  29.03227  0.000 40.65793  ? 178 GLU A CD  1 
ATOM   1222 O  OE1 . GLU A 1 179 ? -11.22341 -7.38721  29.61925  1.000 54.22568  ? 178 GLU A OE1 1 
ATOM   1223 O  OE2 . GLU A 1 179 ? -11.22927 -5.26363  29.09475  1.000 50.53234  ? 178 GLU A OE2 1 
ATOM   1224 N  N   . ALA A 1 180 ? -12.30645 -7.07150  26.24603  1.000 26.55113  ? 179 ALA A N   1 
ATOM   1225 C  CA  . ALA A 1 180 ? -13.72584 -6.86104  26.49998  1.000 28.20474  ? 179 ALA A CA  1 
ATOM   1226 C  C   . ALA A 1 180 ? -14.59781 -7.51413  25.44735  1.000 34.27892  ? 179 ALA A C   1 
ATOM   1227 O  O   . ALA A 1 180 ? -15.80887 -7.62464  25.64748  1.000 40.78219  ? 179 ALA A O   1 
ATOM   1228 C  CB  . ALA A 1 180 ? -14.04564 -5.36208  26.56672  1.000 34.20086  ? 179 ALA A CB  1 
ATOM   1229 N  N   . SER A 1 181 ? -14.02163 -7.91551  24.32255  1.000 30.28344  ? 180 SER A N   1 
ATOM   1230 C  CA  . SER A 1 181 ? -14.76723 -8.70179  23.35633  1.000 34.57104  ? 180 SER A CA  1 
ATOM   1231 C  C   . SER A 1 181 ? -14.96903 -10.11964 23.89221  1.000 34.40599  ? 180 SER A C   1 
ATOM   1232 O  O   . SER A 1 181 ? -14.23932 -10.59349 24.76708  1.000 38.22056  ? 180 SER A O   1 
ATOM   1233 C  CB  . SER A 1 181 ? -14.02961 -8.74406  22.00828  1.000 31.74808  ? 180 SER A CB  1 
ATOM   1234 O  OG  . SER A 1 181 ? -13.48021 -7.47975  21.64409  1.000 30.64097  ? 180 SER A OG  1 
ATOM   1235 N  N   . GLY A 1 182 ? -15.95665 -10.81294 23.34456  1.000 36.79275  ? 181 GLY A N   1 
ATOM   1236 C  CA  . GLY A 1 182 ? -16.09965 -12.20833 23.64721  1.000 40.80198  ? 181 GLY A CA  1 
ATOM   1237 C  C   . GLY A 1 182 ? -15.00918 -13.02971 22.97873  1.000 33.53180  ? 181 GLY A C   1 
ATOM   1238 O  O   . GLY A 1 182 ? -14.15094 -12.49969 22.25570  1.000 33.12882  ? 181 GLY A O   1 
ATOM   1239 N  N   . PRO A 1 183 ? -15.02274 -14.33888 23.21926  1.000 25.18007  ? 182 PRO A N   1 
ATOM   1240 C  CA  . PRO A 1 183 ? -14.15414 -15.21623 22.43578  1.000 19.84452  ? 182 PRO A CA  1 
ATOM   1241 C  C   . PRO A 1 183 ? -14.54824 -15.22340 20.96624  1.000 24.68127  ? 182 PRO A C   1 
ATOM   1242 O  O   . PRO A 1 183 ? -15.70842 -15.00729 20.59630  1.000 28.04416  ? 182 PRO A O   1 
ATOM   1243 C  CB  . PRO A 1 183 ? -14.35176 -16.59732 23.07477  1.000 24.21532  ? 182 PRO A CB  1 
ATOM   1244 C  CG  . PRO A 1 183 ? -15.51770 -16.47759 23.93729  1.000 30.43375  ? 182 PRO A CG  1 
ATOM   1245 C  CD  . PRO A 1 183 ? -15.66912 -15.05016 24.33188  1.000 31.26311  ? 182 PRO A CD  1 
ATOM   1246 N  N   . CYS A 1 184 ? -13.54821 -15.46619 20.13323  1.000 24.01747  ? 183 CYS A N   1 
ATOM   1247 C  CA  . CYS A 1 184 ? -13.72926 -15.71195 18.71020  1.000 24.53610  ? 183 CYS A CA  1 
ATOM   1248 C  C   . CYS A 1 184 ? -13.59392 -17.19301 18.43107  1.000 32.59384  ? 183 CYS A C   1 
ATOM   1249 O  O   . CYS A 1 184 ? -12.66482 -17.83961 18.91772  1.000 27.83787  ? 183 CYS A O   1 
ATOM   1250 C  CB  . CYS A 1 184 ? -12.69620 -14.95391 17.90100  1.000 28.80008  ? 183 CYS A CB  1 
ATOM   1251 S  SG  . CYS A 1 184 ? -13.05469 -13.25201 17.99790  1.000 41.45026  ? 183 CYS A SG  1 
ATOM   1252 N  N   . ILE A 1 185 ? -14.50474 -17.70292 17.61821  1.000 23.92968  ? 184 ILE A N   1 
ATOM   1253 C  CA  . ILE A 1 185 ? -14.66415 -19.12289 17.34159  1.000 25.59772  ? 184 ILE A CA  1 
ATOM   1254 C  C   . ILE A 1 185 ? -14.34192 -19.35118 15.87151  1.000 29.19588  ? 184 ILE A C   1 
ATOM   1255 O  O   . ILE A 1 185 ? -14.63925 -18.49931 15.02330  1.000 29.65497  ? 184 ILE A O   1 
ATOM   1256 C  CB  . ILE A 1 185 ? -16.10717 -19.57289 17.68190  1.000 33.42920  ? 184 ILE A CB  1 
ATOM   1257 C  CG1 . ILE A 1 185 ? -16.23298 -21.08648 17.85756  1.000 40.74567  ? 184 ILE A CG1 1 
ATOM   1258 C  CG2 . ILE A 1 185 ? -17.11040 -19.10454 16.65190  1.000 42.30262  ? 184 ILE A CG2 1 
ATOM   1259 C  CD1 . ILE A 1 185 ? -15.22805 -21.68542 18.75725  1.000 45.82434  ? 184 ILE A CD1 1 
ATOM   1260 N  N   . LEU A 1 186 ? -13.71877 -20.48608 15.57135  1.000 25.11528  ? 185 LEU A N   1 
ATOM   1261 C  CA  . LEU A 1 186 ? -13.63758 -20.95863 14.19747  1.000 23.39441  ? 185 LEU A CA  1 
ATOM   1262 C  C   . LEU A 1 186 ? -13.96171 -22.44401 14.18939  1.000 24.99338  ? 185 LEU A C   1 
ATOM   1263 O  O   . LEU A 1 186 ? -13.81375 -23.13978 15.19848  1.000 23.51883  ? 185 LEU A O   1 
ATOM   1264 C  CB  . LEU A 1 186 ? -12.25832 -20.68085 13.58086  1.000 21.72902  ? 185 LEU A CB  1 
ATOM   1265 C  CG  . LEU A 1 186 ? -11.05023 -21.41844 14.15976  1.000 18.06780  ? 185 LEU A CG  1 
ATOM   1266 C  CD1 . LEU A 1 186 ? -10.84820 -22.80328 13.52250  1.000 20.54097  ? 185 LEU A CD1 1 
ATOM   1267 C  CD2 . LEU A 1 186 ? -9.78395  -20.58421 14.01112  1.000 21.67292  ? 185 LEU A CD2 1 
ATOM   1268 N  N   . THR A 1 187 ? -14.41099 -22.93754 13.04796  1.000 22.29938  ? 186 THR A N   1 
ATOM   1269 C  CA  . THR A 1 187 ? -14.81067 -24.33042 12.91808  1.000 20.82434  ? 186 THR A CA  1 
ATOM   1270 C  C   . THR A 1 187 ? -14.18502 -24.91871 11.67137  1.000 20.73383  ? 186 THR A C   1 
ATOM   1271 O  O   . THR A 1 187 ? -13.54897 -24.20528 10.88906  1.000 21.78445  ? 186 THR A O   1 
ATOM   1272 C  CB  . THR A 1 187 ? -16.33634 -24.46491 12.85137  1.000 30.12004  ? 186 THR A CB  1 
ATOM   1273 O  OG1 . THR A 1 187 ? -16.75204 -24.22238 11.50828  1.000 27.72581  ? 186 THR A OG1 1 
ATOM   1274 C  CG2 . THR A 1 187 ? -17.01139 -23.49820 13.81432  1.000 31.56538  ? 186 THR A CG2 1 
ATOM   1275 N  N   . PRO A 1 188 ? -14.32471 -26.23535 11.46220  1.000 26.39339  ? 187 PRO A N   1 
ATOM   1276 C  CA  . PRO A 1 188 ? -13.76198 -26.81856 10.23949  1.000 27.43701  ? 187 PRO A CA  1 
ATOM   1277 C  C   . PRO A 1 188 ? -14.31326 -26.20653 8.96893   1.000 31.38696  ? 187 PRO A C   1 
ATOM   1278 O  O   . PRO A 1 188 ? -13.60430 -26.18518 7.95290   1.000 29.72235  ? 187 PRO A O   1 
ATOM   1279 C  CB  . PRO A 1 188 ? -14.13108 -28.30365 10.35975  1.000 28.30410  ? 187 PRO A CB  1 
ATOM   1280 C  CG  . PRO A 1 188 ? -14.18336 -28.54834 11.81364  1.000 32.87467  ? 187 PRO A CG  1 
ATOM   1281 C  CD  . PRO A 1 188 ? -14.77526 -27.28973 12.39525  1.000 29.26647  ? 187 PRO A CD  1 
ATOM   1282 N  N   A HIS A 1 189 ? -15.54044 -25.68519 8.99477   0.520 29.91518  ? 188 HIS A N   1 
ATOM   1283 N  N   B HIS A 1 189 ? -15.54482 -25.68887 8.98547   0.480 29.92688  ? 188 HIS A N   1 
ATOM   1284 C  CA  A HIS A 1 189 ? -16.21351 -25.26713 7.77391   0.520 33.99907  ? 188 HIS A CA  1 
ATOM   1285 C  CA  B HIS A 1 189 ? -16.19716 -25.25990 7.75211   0.480 33.99115  ? 188 HIS A CA  1 
ATOM   1286 C  C   A HIS A 1 189 ? -16.39803 -23.76151 7.64365   0.520 34.90077  ? 188 HIS A C   1 
ATOM   1287 C  C   B HIS A 1 189 ? -16.56766 -23.78305 7.72460   0.480 34.96195  ? 188 HIS A C   1 
ATOM   1288 O  O   A HIS A 1 189 ? -16.80654 -23.30159 6.57334   0.520 35.36060  ? 188 HIS A O   1 
ATOM   1289 O  O   B HIS A 1 189 ? -17.29816 -23.36618 6.81820   0.480 34.51644  ? 188 HIS A O   1 
ATOM   1290 C  CB  A HIS A 1 189 ? -17.58239 -25.95814 7.67368   0.520 34.26744  ? 188 HIS A CB  1 
ATOM   1291 C  CB  B HIS A 1 189 ? -17.45227 -26.09618 7.49385   0.480 34.26346  ? 188 HIS A CB  1 
ATOM   1292 C  CG  A HIS A 1 189 ? -17.62953 -27.29245 8.35229   0.520 35.49548  ? 188 HIS A CG  1 
ATOM   1293 C  CG  B HIS A 1 189 ? -17.16892 -27.53935 7.23028   0.480 37.84692  ? 188 HIS A CG  1 
ATOM   1294 N  ND1 A HIS A 1 189 ? -17.18996 -28.45053 7.74773   0.520 39.32020  ? 188 HIS A ND1 1 
ATOM   1295 N  ND1 B HIS A 1 189 ? -16.57107 -27.98101 6.07013   0.480 36.70421  ? 188 HIS A ND1 1 
ATOM   1296 C  CD2 A HIS A 1 189 ? -18.04045 -27.64921 9.59294   0.520 39.85820  ? 188 HIS A CD2 1 
ATOM   1297 C  CD2 B HIS A 1 189 ? -17.41180 -28.64427 7.97434   0.480 38.01573  ? 188 HIS A CD2 1 
ATOM   1298 C  CE1 A HIS A 1 189 ? -17.34076 -29.46499 8.58047   0.520 34.09918  ? 188 HIS A CE1 1 
ATOM   1299 C  CE1 B HIS A 1 189 ? -16.45080 -29.29581 6.11417   0.480 39.33731  ? 188 HIS A CE1 1 
ATOM   1300 N  NE2 A HIS A 1 189 ? -17.85339 -29.00580 9.70791   0.520 33.56068  ? 188 HIS A NE2 1 
ATOM   1301 N  NE2 B HIS A 1 189 ? -16.95588 -29.72316 7.25767   0.480 41.18336  ? 188 HIS A NE2 1 
ATOM   1302 N  N   . ARG A 1 190 ? -16.10292 -22.97871 8.67904   1.000 29.47289  ? 189 ARG A N   1 
ATOM   1303 C  CA  . ARG A 1 190 ? -16.37785 -21.54567 8.61606   1.000 29.68330  ? 189 ARG A CA  1 
ATOM   1304 C  C   . ARG A 1 190 ? -15.34698 -20.76250 9.41148   1.000 28.86558  ? 189 ARG A C   1 
ATOM   1305 O  O   . ARG A 1 190 ? -15.03747 -21.13075 10.54389  1.000 25.49314  ? 189 ARG A O   1 
ATOM   1306 C  CB  . ARG A 1 190 ? -17.77615 -21.25175 9.13869   1.000 33.39851  ? 189 ARG A CB  1 
ATOM   1307 C  CG  . ARG A 1 190 ? -18.28525 -19.88190 8.79281   1.000 33.12601  ? 189 ARG A CG  1 
ATOM   1308 C  CD  . ARG A 1 190 ? -19.69760 -19.74691 9.29923   1.000 34.33204  ? 189 ARG A CD  1 
ATOM   1309 N  NE  . ARG A 1 190 ? -20.29489 -18.47880 8.91350   1.000 38.30248  ? 189 ARG A NE  1 
ATOM   1310 C  CZ  . ARG A 1 190 ? -21.13466 -18.33499 7.90226   1.000 40.22452  ? 189 ARG A CZ  1 
ATOM   1311 N  NH1 . ARG A 1 190 ? -21.43765 -19.35022 7.10724   1.000 45.41912  ? 189 ARG A NH1 1 
ATOM   1312 N  NH2 . ARG A 1 190 ? -21.68519 -17.14517 7.68314   1.000 51.95172  ? 189 ARG A NH2 1 
ATOM   1313 N  N   . ASP A 1 191 ? -14.84636 -19.67003 8.82278   1.000 25.68906  ? 190 ASP A N   1 
ATOM   1314 C  CA  . ASP A 1 191 ? -13.78222 -18.86345 9.41234   1.000 22.86538  ? 190 ASP A CA  1 
ATOM   1315 C  C   . ASP A 1 191 ? -12.54169 -19.70568 9.68301   1.000 19.80514  ? 190 ASP A C   1 
ATOM   1316 O  O   . ASP A 1 191 ? -11.78171 -19.43495 10.62075  1.000 22.82425  ? 190 ASP A O   1 
ATOM   1317 C  CB  . ASP A 1 191 ? -14.24483 -18.16267 10.70090  1.000 23.55202  ? 190 ASP A CB  1 
ATOM   1318 C  CG  . ASP A 1 191 ? -15.43156 -17.26438 10.47423  1.000 34.76954  ? 190 ASP A CG  1 
ATOM   1319 O  OD1 . ASP A 1 191 ? -15.39592 -16.49225 9.49612   1.000 30.24239  ? 190 ASP A OD1 1 
ATOM   1320 O  OD2 . ASP A 1 191 ? -16.40300 -17.32620 11.26968  1.000 32.46720  ? 190 ASP A OD2 1 
ATOM   1321 N  N   . ASN A 1 192 ? -12.32685 -20.74394 8.86924   1.000 21.46444  ? 191 ASN A N   1 
ATOM   1322 C  CA  . ASN A 1 192 ? -11.24777 -21.67655 9.17127   1.000 20.13115  ? 191 ASN A CA  1 
ATOM   1323 C  C   . ASN A 1 192 ? -9.87749  -21.08925 8.88222   1.000 17.06187  ? 191 ASN A C   1 
ATOM   1324 O  O   . ASN A 1 192 ? -8.88313  -21.57520 9.43217   1.000 17.49773  ? 191 ASN A O   1 
ATOM   1325 C  CB  . ASN A 1 192 ? -11.43051 -22.97786 8.39883   1.000 21.74523  ? 191 ASN A CB  1 
ATOM   1326 C  CG  . ASN A 1 192 ? -10.48458 -24.05931 8.86613   1.000 23.89460  ? 191 ASN A CG  1 
ATOM   1327 O  OD1 . ASN A 1 192 ? -9.49556  -24.35823 8.20142   1.000 21.74354  ? 191 ASN A OD1 1 
ATOM   1328 N  ND2 . ASN A 1 192 ? -10.76143 -24.62253 10.02933  1.000 19.28745  ? 191 ASN A ND2 1 
ATOM   1329 N  N   . LEU A 1 193 ? -9.79632  -20.06809 8.03649   1.000 18.26096  ? 192 LEU A N   1 
ATOM   1330 C  CA  . LEU A 1 193 ? -8.55144  -19.35337 7.79509   1.000 18.14655  ? 192 LEU A CA  1 
ATOM   1331 C  C   . LEU A 1 193 ? -8.59086  -18.04240 8.56805   1.000 20.58153  ? 192 LEU A C   1 
ATOM   1332 O  O   . LEU A 1 193 ? -9.57111  -17.30194 8.46519   1.000 23.78105  ? 192 LEU A O   1 
ATOM   1333 C  CB  . LEU A 1 193 ? -8.36677  -19.06980 6.29773   1.000 16.81994  ? 192 LEU A CB  1 
ATOM   1334 C  CG  . LEU A 1 193 ? -7.77919  -20.19659 5.44568   1.000 19.13848  ? 192 LEU A CG  1 
ATOM   1335 C  CD1 . LEU A 1 193 ? -8.67705  -21.40368 5.41090   1.000 25.10065  ? 192 LEU A CD1 1 
ATOM   1336 C  CD2 . LEU A 1 193 ? -7.54557  -19.68620 4.01907   1.000 25.31879  ? 192 LEU A CD2 1 
ATOM   1337 N  N   . HIS A 1 194 ? -7.54471  -17.74842 9.34211   1.000 17.93214  ? 193 HIS A N   1 
ATOM   1338 C  CA  . HIS A 1 194 ? -7.49449  -16.42037 9.92905   1.000 15.69247  ? 193 HIS A CA  1 
ATOM   1339 C  C   . HIS A 1 194 ? -6.07123  -15.87888 10.00633  1.000 14.45279  ? 193 HIS A C   1 
ATOM   1340 O  O   . HIS A 1 194 ? -5.08051  -16.61955 9.96418   1.000 16.70621  ? 193 HIS A O   1 
ATOM   1341 C  CB  . HIS A 1 194 ? -8.17877  -16.35858 11.32186  1.000 19.79185  ? 193 HIS A CB  1 
ATOM   1342 C  CG  . HIS A 1 194 ? -7.52264  -17.17482 12.39473  1.000 19.31399  ? 193 HIS A CG  1 
ATOM   1343 N  ND1 . HIS A 1 194 ? -8.15148  -17.43018 13.59518  1.000 20.60736  ? 193 HIS A ND1 1 
ATOM   1344 C  CD2 . HIS A 1 194 ? -6.31066  -17.77414 12.47305  1.000 19.72949  ? 193 HIS A CD2 1 
ATOM   1345 C  CE1 . HIS A 1 194 ? -7.36840  -18.17283 14.35525  1.000 16.89882  ? 193 HIS A CE1 1 
ATOM   1346 N  NE2 . HIS A 1 194 ? -6.23747  -18.38889 13.70557  1.000 17.73804  ? 193 HIS A NE2 1 
ATOM   1347 N  N   A GLN A 1 195 ? -6.00429  -14.55359 10.10329  0.620 18.41046  ? 194 GLN A N   1 
ATOM   1348 N  N   B GLN A 1 195 ? -5.98957  -14.54951 10.07837  0.380 18.40924  ? 194 GLN A N   1 
ATOM   1349 C  CA  A GLN A 1 195 ? -4.77918  -13.80925 10.34439  0.620 19.06046  ? 194 GLN A CA  1 
ATOM   1350 C  CA  B GLN A 1 195 ? -4.75433  -13.82455 10.34600  0.380 19.04391  ? 194 GLN A CA  1 
ATOM   1351 C  C   A GLN A 1 195 ? -4.99367  -12.91754 11.55407  0.620 19.67552  ? 194 GLN A C   1 
ATOM   1352 C  C   B GLN A 1 195 ? -4.98732  -12.92770 11.54981  0.380 19.65688  ? 194 GLN A C   1 
ATOM   1353 O  O   A GLN A 1 195 ? -6.05438  -12.30572 11.69699  0.620 17.14699  ? 194 GLN A O   1 
ATOM   1354 O  O   B GLN A 1 195 ? -6.05152  -12.31851 11.67824  0.380 17.20161  ? 194 GLN A O   1 
ATOM   1355 C  CB  A GLN A 1 195 ? -4.40530  -12.95276 9.13569   0.620 18.15902  ? 194 GLN A CB  1 
ATOM   1356 C  CB  B GLN A 1 195 ? -4.30985  -12.96694 9.14781   0.380 18.25575  ? 194 GLN A CB  1 
ATOM   1357 C  CG  A GLN A 1 195 ? -3.46396  -11.81179 9.47345   0.620 19.17172  ? 194 GLN A CG  1 
ATOM   1358 C  CG  B GLN A 1 195 ? -2.96768  -12.25307 9.36881   0.380 18.85751  ? 194 GLN A CG  1 
ATOM   1359 C  CD  A GLN A 1 195 ? -2.57438  -11.44345 8.31687   0.620 27.61012  ? 194 GLN A CD  1 
ATOM   1360 C  CD  B GLN A 1 195 ? -2.57501  -11.34625 8.21541   0.380 27.41055  ? 194 GLN A CD  1 
ATOM   1361 O  OE1 A GLN A 1 195 ? -2.10359  -12.31483 7.57882   0.620 24.91374  ? 194 GLN A OE1 1 
ATOM   1362 O  OE1 B GLN A 1 195 ? -3.27542  -11.26602 7.20418   0.380 21.32275  ? 194 GLN A OE1 1 
ATOM   1363 N  NE2 A GLN A 1 195 ? -2.36667  -10.14356 8.12143   0.620 22.01040  ? 194 GLN A NE2 1 
ATOM   1364 N  NE2 B GLN A 1 195 ? -1.43759  -10.67025 8.35470   0.380 19.70796  ? 194 GLN A NE2 1 
ATOM   1365 N  N   . ILE A 1 196 ? -3.99595  -12.85004 12.43328  1.000 18.54814  ? 195 ILE A N   1 
ATOM   1366 C  CA  . ILE A 1 196 ? -4.10938  -12.10428 13.68235  1.000 17.21455  ? 195 ILE A CA  1 
ATOM   1367 C  C   . ILE A 1 196 ? -2.99314  -11.06727 13.71931  1.000 17.85563  ? 195 ILE A C   1 
ATOM   1368 O  O   . ILE A 1 196 ? -1.81334  -11.43393 13.73752  1.000 19.01954  ? 195 ILE A O   1 
ATOM   1369 C  CB  . ILE A 1 196 ? -4.03084  -13.04424 14.89909  1.000 18.58790  ? 195 ILE A CB  1 
ATOM   1370 C  CG1 . ILE A 1 196 ? -5.08953  -14.14180 14.77529  1.000 23.05920  ? 195 ILE A CG1 1 
ATOM   1371 C  CG2 . ILE A 1 196 ? -4.26005  -12.27575 16.19236  1.000 18.36354  ? 195 ILE A CG2 1 
ATOM   1372 C  CD1 . ILE A 1 196 ? -4.77771  -15.36790 15.55996  1.000 25.11685  ? 195 ILE A CD1 1 
ATOM   1373 N  N   . ASP A 1 197 ? -3.35606  -9.78689  13.74255  1.000 16.69749  ? 196 ASP A N   1 
ATOM   1374 C  CA  . ASP A 1 197 ? -2.39281  -8.68643  13.77234  1.000 19.17955  ? 196 ASP A CA  1 
ATOM   1375 C  C   . ASP A 1 197 ? -2.45361  -7.97084  15.11350  1.000 20.42513  ? 196 ASP A C   1 
ATOM   1376 O  O   . ASP A 1 197 ? -3.53637  -7.57567  15.54535  1.000 20.50037  ? 196 ASP A O   1 
ATOM   1377 C  CB  . ASP A 1 197 ? -2.67512  -7.64634  12.68298  1.000 21.47734  ? 196 ASP A CB  1 
ATOM   1378 C  CG  . ASP A 1 197 ? -2.83177  -8.24416  11.30079  1.000 25.48303  ? 196 ASP A CG  1 
ATOM   1379 O  OD1 . ASP A 1 197 ? -1.97861  -9.05786  10.89978  1.000 24.25438  ? 196 ASP A OD1 1 
ATOM   1380 O  OD2 . ASP A 1 197 ? -3.79548  -7.85110  10.59275  1.000 28.78530  ? 196 ASP A OD2 1 
ATOM   1381 N  N   . ALA A 1 198 ? -1.29473  -7.73258  15.73828  1.000 19.23851  ? 197 ALA A N   1 
ATOM   1382 C  CA  . ALA A 1 198 ? -1.27150  -6.88105  16.92983  1.000 16.96534  ? 197 ALA A CA  1 
ATOM   1383 C  C   . ALA A 1 198 ? -1.46907  -5.41771  16.53565  1.000 24.27598  ? 197 ALA A C   1 
ATOM   1384 O  O   . ALA A 1 198 ? -0.75447  -4.89995  15.67576  1.000 24.51620  ? 197 ALA A O   1 
ATOM   1385 C  CB  . ALA A 1 198 ? 0.04861   -7.05511  17.69017  1.000 18.85495  ? 197 ALA A CB  1 
ATOM   1386 N  N   . VAL A 1 199 ? -2.43512  -4.74212  17.16537  1.000 20.64330  ? 198 VAL A N   1 
ATOM   1387 C  CA  . VAL A 1 199 ? -2.84484  -3.39020  16.77962  1.000 20.87958  ? 198 VAL A CA  1 
ATOM   1388 C  C   . VAL A 1 199 ? -2.34901  -2.40498  17.83427  1.000 22.17967  ? 198 VAL A C   1 
ATOM   1389 O  O   . VAL A 1 199 ? -2.67501  -2.53893  19.01882  1.000 26.73901  ? 198 VAL A O   1 
ATOM   1390 C  CB  . VAL A 1 199 ? -4.37350  -3.29407  16.61445  1.000 26.76430  ? 198 VAL A CB  1 
ATOM   1391 C  CG1 . VAL A 1 199 ? -4.81187  -1.85255  16.39675  1.000 36.32031  ? 198 VAL A CG1 1 
ATOM   1392 C  CG2 . VAL A 1 199 ? -4.83483  -4.18267  15.46347  1.000 25.43583  ? 198 VAL A CG2 1 
ATOM   1393 N  N   . GLU A 1 200 ? -1.60425  -1.39728  17.38801  1.000 24.17681  ? 199 GLU A N   1 
ATOM   1394 C  CA  . GLU A 1 200 ? -1.02507  -0.33548  18.22995  1.000 28.44493  ? 199 GLU A CA  1 
ATOM   1395 C  C   . GLU A 1 200 ? -0.41278  -0.88192  19.52002  1.000 33.06862  ? 199 GLU A C   1 
ATOM   1396 O  O   . GLU A 1 200 ? -0.66268  -0.39244  20.62665  1.000 32.96614  ? 199 GLU A O   1 
ATOM   1397 C  CB  . GLU A 1 200 ? -2.03580  0.77345   18.52600  1.000 43.27676  ? 199 GLU A CB  1 
ATOM   1398 C  CG  . GLU A 1 200 ? -3.16105  0.88720   17.52996  0.600 50.16082  ? 199 GLU A CG  1 
ATOM   1399 C  CD  . GLU A 1 200 ? -4.13731  1.99250   17.86993  1.000 67.85294  ? 199 GLU A CD  1 
ATOM   1400 O  OE1 . GLU A 1 200 ? -3.81524  2.82579   18.74544  0.980 72.98426  ? 199 GLU A OE1 1 
ATOM   1401 O  OE2 . GLU A 1 200 ? -5.22067  2.03502   17.24616  0.820 72.75194  ? 199 GLU A OE2 1 
ATOM   1402 N  N   . GLY A 1 201 ? 0.43984   -1.88619  19.36093  1.000 24.25319  ? 200 GLY A N   1 
ATOM   1403 C  CA  . GLY A 1 201 ? 1.25069   -2.35235  20.46078  1.000 25.43996  ? 200 GLY A CA  1 
ATOM   1404 C  C   . GLY A 1 201 ? 1.13397   -3.84644  20.65261  1.000 19.61448  ? 200 GLY A C   1 
ATOM   1405 O  O   . GLY A 1 201 ? 0.43444   -4.52754  19.90026  1.000 21.89999  ? 200 GLY A O   1 
ATOM   1406 N  N   . PRO A 1 202 ? 1.81534   -4.38439  21.66447  1.000 18.27634  ? 201 PRO A N   1 
ATOM   1407 C  CA  . PRO A 1 202 ? 1.76159   -5.82604  21.90958  1.000 16.81380  ? 201 PRO A CA  1 
ATOM   1408 C  C   . PRO A 1 202 ? 0.35825   -6.26996  22.28461  1.000 16.32619  ? 201 PRO A C   1 
ATOM   1409 O  O   . PRO A 1 202 ? -0.47248  -5.48494  22.76060  1.000 19.42243  ? 201 PRO A O   1 
ATOM   1410 C  CB  . PRO A 1 202 ? 2.72909   -6.03464  23.08613  1.000 18.07404  ? 201 PRO A CB  1 
ATOM   1411 C  CG  . PRO A 1 202 ? 3.55536   -4.78829  23.13619  1.000 21.73145  ? 201 PRO A CG  1 
ATOM   1412 C  CD  . PRO A 1 202 ? 2.67160   -3.68745  22.63587  1.000 24.22003  ? 201 PRO A CD  1 
ATOM   1413 N  N   . ALA A 1 203 ? 0.11908   -7.56343  22.11004  1.000 15.09011  ? 202 ALA A N   1 
ATOM   1414 C  CA  . ALA A 1 203 ? -1.17276  -8.14496  22.45137  1.000 18.84590  ? 202 ALA A CA  1 
ATOM   1415 C  C   . ALA A 1 203 ? -0.96025  -9.61094  22.77668  1.000 21.57422  ? 202 ALA A C   1 
ATOM   1416 O  O   . ALA A 1 203 ? 0.03756   -10.21278 22.37984  1.000 16.36148  ? 202 ALA A O   1 
ATOM   1417 C  CB  . ALA A 1 203 ? -2.17161  -7.96729  21.30303  1.000 18.60855  ? 202 ALA A CB  1 
ATOM   1418 N  N   . ALA A 1 204 ? -1.89650  -10.18925 23.51767  1.000 13.50570  ? 203 ALA A N   1 
ATOM   1419 C  CA  . ALA A 1 204 ? -1.79626  -11.61042 23.78850  1.000 15.80460  ? 203 ALA A CA  1 
ATOM   1420 C  C   . ALA A 1 204 ? -3.19715  -12.18857 23.85462  1.000 16.49768  ? 203 ALA A C   1 
ATOM   1421 O  O   . ALA A 1 204 ? -4.15016  -11.49036 24.21006  1.000 16.69489  ? 203 ALA A O   1 
ATOM   1422 C  CB  . ALA A 1 204 ? -1.04119  -11.90259 25.08780  1.000 14.40106  ? 203 ALA A CB  1 
ATOM   1423 N  N   . PHE A 1 205 ? -3.30847  -13.47337 23.53053  1.000 12.69847  ? 204 PHE A N   1 
ATOM   1424 C  CA  . PHE A 1 205 ? -4.59827  -14.14785 23.59013  1.000 15.08502  ? 204 PHE A CA  1 
ATOM   1425 C  C   . PHE A 1 205 ? -4.42995  -15.60032 24.00916  1.000 16.93112  ? 204 PHE A C   1 
ATOM   1426 O  O   . PHE A 1 205 ? -3.40845  -16.24969 23.72773  1.000 15.07758  ? 204 PHE A O   1 
ATOM   1427 C  CB  . PHE A 1 205 ? -5.35286  -14.09157 22.24437  1.000 15.61489  ? 204 PHE A CB  1 
ATOM   1428 C  CG  . PHE A 1 205 ? -4.58477  -14.65973 21.07548  1.000 14.67787  ? 204 PHE A CG  1 
ATOM   1429 C  CD1 . PHE A 1 205 ? -4.67723  -16.00350 20.74225  1.000 16.88368  ? 204 PHE A CD1 1 
ATOM   1430 C  CD2 . PHE A 1 205 ? -3.79638  -13.83094 20.28918  1.000 23.77080  ? 204 PHE A CD2 1 
ATOM   1431 C  CE1 . PHE A 1 205 ? -3.97040  -16.52638 19.65602  1.000 20.00156  ? 204 PHE A CE1 1 
ATOM   1432 C  CE2 . PHE A 1 205 ? -3.08729  -14.35151 19.20259  1.000 18.44538  ? 204 PHE A CE2 1 
ATOM   1433 C  CZ  . PHE A 1 205 ? -3.18773  -15.69385 18.89269  1.000 16.72234  ? 204 PHE A CZ  1 
ATOM   1434 N  N   A LEU A 1 206 ? -5.45910  -16.11326 24.67292  0.540 14.14587  ? 205 LEU A N   1 
ATOM   1435 N  N   B LEU A 1 206 ? -5.44344  -16.09659 24.70358  0.460 14.17973  ? 205 LEU A N   1 
ATOM   1436 C  CA  A LEU A 1 206 ? -5.54603  -17.52979 24.98992  0.540 15.99413  ? 205 LEU A CA  1 
ATOM   1437 C  CA  B LEU A 1 206 ? -5.55242  -17.51952 24.95781  0.460 15.99561  ? 205 LEU A CA  1 
ATOM   1438 C  C   A LEU A 1 206 ? -6.24358  -18.23824 23.83985  0.540 15.60805  ? 205 LEU A C   1 
ATOM   1439 C  C   B LEU A 1 206 ? -6.16918  -18.18193 23.73911  0.460 15.63717  ? 205 LEU A C   1 
ATOM   1440 O  O   A LEU A 1 206 ? -7.26558  -17.75636 23.33971  0.540 17.44012  ? 205 LEU A O   1 
ATOM   1441 O  O   B LEU A 1 206 ? -7.04744  -17.61395 23.08501  0.460 17.97213  ? 205 LEU A O   1 
ATOM   1442 C  CB  A LEU A 1 206 ? -6.31400  -17.75082 26.29342  0.540 17.56809  ? 205 LEU A CB  1 
ATOM   1443 C  CB  B LEU A 1 206 ? -6.40510  -17.78090 26.19842  0.460 17.49662  ? 205 LEU A CB  1 
ATOM   1444 C  CG  A LEU A 1 206 ? -6.45940  -19.23364 26.62014  0.540 17.83709  ? 205 LEU A CG  1 
ATOM   1445 C  CG  B LEU A 1 206 ? -6.41050  -19.23805 26.64709  0.460 17.83992  ? 205 LEU A CG  1 
ATOM   1446 C  CD1 A LEU A 1 206 ? -5.39556  -19.63317 27.59666  0.540 13.50375  ? 205 LEU A CD1 1 
ATOM   1447 C  CD1 B LEU A 1 206 ? -6.23120  -19.31409 28.14592  0.460 20.35173  ? 205 LEU A CD1 1 
ATOM   1448 C  CD2 A LEU A 1 206 ? -7.81071  -19.51729 27.18675  0.540 20.48092  ? 205 LEU A CD2 1 
ATOM   1449 C  CD2 B LEU A 1 206 ? -7.70267  -19.89222 26.21285  0.460 17.13421  ? 205 LEU A CD2 1 
ATOM   1450 N  N   . ASP A 1 207 ? -5.69008  -19.37322 23.42076  1.000 16.22132  ? 206 ASP A N   1 
ATOM   1451 C  CA  . ASP A 1 207 ? -6.23811  -20.13607 22.31422  1.000 19.67029  ? 206 ASP A CA  1 
ATOM   1452 C  C   . ASP A 1 207 ? -6.56768  -21.54356 22.78310  1.000 23.20492  ? 206 ASP A C   1 
ATOM   1453 O  O   . ASP A 1 207 ? -5.87407  -22.11555 23.63096  1.000 19.49084  ? 206 ASP A O   1 
ATOM   1454 C  CB  . ASP A 1 207 ? -5.27787  -20.12940 21.11379  1.000 22.54361  ? 206 ASP A CB  1 
ATOM   1455 C  CG  . ASP A 1 207 ? -4.25426  -21.23479 21.15300  1.000 32.30969  ? 206 ASP A CG  1 
ATOM   1456 O  OD1 . ASP A 1 207 ? -3.63752  -21.47308 22.21083  0.330 19.01868  ? 206 ASP A OD1 1 
ATOM   1457 O  OD2 . ASP A 1 207 ? -4.04773  -21.85622 20.08640  0.340 21.21665  ? 206 ASP A OD2 1 
ATOM   1458 N  N   . ILE A 1 208 ? -7.68206  -22.05885 22.28755  1.000 16.94225  ? 207 ILE A N   1 
ATOM   1459 C  CA  . ILE A 1 208 ? -8.03956  -23.45864 22.42280  1.000 15.44281  ? 207 ILE A CA  1 
ATOM   1460 C  C   . ILE A 1 208 ? -8.21074  -24.00498 21.02023  1.000 21.63934  ? 207 ILE A C   1 
ATOM   1461 O  O   . ILE A 1 208 ? -8.92770  -23.41188 20.20809  1.000 21.57154  ? 207 ILE A O   1 
ATOM   1462 C  CB  . ILE A 1 208 ? -9.33447  -23.65883 23.22477  1.000 20.79198  ? 207 ILE A CB  1 
ATOM   1463 C  CG1 . ILE A 1 208 ? -9.19218  -23.05948 24.62918  1.000 23.89114  ? 207 ILE A CG1 1 
ATOM   1464 C  CG2 . ILE A 1 208 ? -9.66843  -25.15073 23.29164  1.000 22.07920  ? 207 ILE A CG2 1 
ATOM   1465 C  CD1 . ILE A 1 208 ? -10.49682 -22.94489 25.39089  1.000 25.53079  ? 207 ILE A CD1 1 
ATOM   1466 N  N   . LEU A 1 209 ? -7.57755  -25.13804 20.74665  1.000 16.50406  ? 208 LEU A N   1 
ATOM   1467 C  CA  . LEU A 1 209 ? -7.61065  -25.73588 19.42367  1.000 15.39593  ? 208 LEU A CA  1 
ATOM   1468 C  C   . LEU A 1 209 ? -8.02518  -27.18366 19.59383  1.000 18.68696  ? 208 LEU A C   1 
ATOM   1469 O  O   . LEU A 1 209 ? -7.50636  -27.86809 20.47949  1.000 20.50263  ? 208 LEU A O   1 
ATOM   1470 C  CB  . LEU A 1 209 ? -6.23606  -25.55797 18.80623  1.000 23.58720  ? 208 LEU A CB  1 
ATOM   1471 C  CG  . LEU A 1 209 ? -6.08989  -25.44856 17.31972  1.000 38.94336  ? 208 LEU A CG  1 
ATOM   1472 C  CD1 . LEU A 1 209 ? -6.62369  -24.10651 16.92841  1.000 35.27489  ? 208 LEU A CD1 1 
ATOM   1473 C  CD2 . LEU A 1 209 ? -4.59072  -25.43876 17.11220  1.000 31.29350  ? 208 LEU A CD2 1 
ATOM   1474 N  N   . ALA A 1 210 ? -9.01340  -27.62954 18.80234  1.000 16.42437  ? 209 ALA A N   1 
ATOM   1475 C  CA  . ALA A 1 210 ? -9.61443  -28.93810 19.02272  1.000 17.53361  ? 209 ALA A CA  1 
ATOM   1476 C  C   . ALA A 1 210 ? -9.99293  -29.62276 17.71358  1.000 19.41653  ? 209 ALA A C   1 
ATOM   1477 O  O   . ALA A 1 210 ? -10.87371 -29.13514 16.99572  1.000 24.89201  ? 209 ALA A O   1 
ATOM   1478 C  CB  . ALA A 1 210 ? -10.85500 -28.80934 19.90100  1.000 21.61109  ? 209 ALA A CB  1 
ATOM   1479 N  N   . PRO A 1 211 ? -9.35656  -30.75083 17.36995  1.000 20.93149  ? 210 PRO A N   1 
ATOM   1480 C  CA  . PRO A 1 211 ? -8.20342  -31.36434 18.03638  1.000 24.93960  ? 210 PRO A CA  1 
ATOM   1481 C  C   . PRO A 1 211 ? -6.97340  -30.49823 17.80056  1.000 22.93826  ? 210 PRO A C   1 
ATOM   1482 O  O   . PRO A 1 211 ? -7.04219  -29.56094 17.00990  1.000 19.48335  ? 210 PRO A O   1 
ATOM   1483 C  CB  . PRO A 1 211 ? -8.10352  -32.73555 17.35347  1.000 24.46459  ? 210 PRO A CB  1 
ATOM   1484 C  CG  . PRO A 1 211 ? -8.62854  -32.48098 15.97825  1.000 28.53030  ? 210 PRO A CG  1 
ATOM   1485 C  CD  . PRO A 1 211 ? -9.76006  -31.51281 16.17659  1.000 25.24073  ? 210 PRO A CD  1 
ATOM   1486 N  N   . PRO A 1 212 ? -5.84685  -30.76346 18.45470  1.000 21.94347  ? 211 PRO A N   1 
ATOM   1487 C  CA  . PRO A 1 212 ? -4.61418  -30.04551 18.11600  1.000 20.06988  ? 211 PRO A CA  1 
ATOM   1488 C  C   . PRO A 1 212 ? -4.15903  -30.40064 16.70821  1.000 20.82821  ? 211 PRO A C   1 
ATOM   1489 O  O   . PRO A 1 212 ? -4.62317  -31.36571 16.10019  1.000 21.74379  ? 211 PRO A O   1 
ATOM   1490 C  CB  . PRO A 1 212 ? -3.60614  -30.53371 19.16434  1.000 23.71494  ? 211 PRO A CB  1 
ATOM   1491 C  CG  . PRO A 1 212 ? -4.43133  -31.25348 20.22415  1.000 26.38622  ? 211 PRO A CG  1 
ATOM   1492 C  CD  . PRO A 1 212 ? -5.63697  -31.77120 19.51350  1.000 21.07637  ? 211 PRO A CD  1 
ATOM   1493 N  N   . TYR A 1 213 ? -3.23104  -29.60064 16.18538  1.000 19.44641  ? 212 TYR A N   1 
ATOM   1494 C  CA  . TYR A 1 213 ? -2.60053  -29.97756 14.93221  1.000 19.15102  ? 212 TYR A CA  1 
ATOM   1495 C  C   . TYR A 1 213 ? -1.89080  -31.31089 15.11425  1.000 24.39333  ? 212 TYR A C   1 
ATOM   1496 O  O   . TYR A 1 213 ? -1.41044  -31.63684 16.19973  1.000 22.44318  ? 212 TYR A O   1 
ATOM   1497 C  CB  . TYR A 1 213 ? -1.58282  -28.93194 14.48356  1.000 17.41927  ? 212 TYR A CB  1 
ATOM   1498 C  CG  . TYR A 1 213 ? -2.14260  -27.62905 13.97323  1.000 19.25057  ? 212 TYR A CG  1 
ATOM   1499 C  CD1 . TYR A 1 213 ? -2.72040  -27.53719 12.72075  1.000 17.46409  ? 212 TYR A CD1 1 
ATOM   1500 C  CD2 . TYR A 1 213 ? -2.06814  -26.48275 14.74418  1.000 18.53233  ? 212 TYR A CD2 1 
ATOM   1501 C  CE1 . TYR A 1 213 ? -3.21205  -26.33247 12.26702  1.000 14.27834  ? 212 TYR A CE1 1 
ATOM   1502 C  CE2 . TYR A 1 213 ? -2.55248  -25.26522 14.29790  1.000 20.05461  ? 212 TYR A CE2 1 
ATOM   1503 C  CZ  . TYR A 1 213 ? -3.11578  -25.19992 13.05070  1.000 17.65052  ? 212 TYR A CZ  1 
ATOM   1504 O  OH  . TYR A 1 213 ? -3.58964  -23.99200 12.61838  1.000 18.91776  ? 212 TYR A OH  1 
ATOM   1505 N  N   . ASP A 1 214 ? -1.81506  -32.08297 14.03296  1.000 24.36444  ? 213 ASP A N   1 
ATOM   1506 C  CA  . ASP A 1 214 ? -1.13841  -33.37874 14.05605  1.000 24.85430  ? 213 ASP A CA  1 
ATOM   1507 C  C   . ASP A 1 214 ? -0.59996  -33.62554 12.66512  1.000 35.28352  ? 213 ASP A C   1 
ATOM   1508 O  O   . ASP A 1 214 ? -1.27167  -34.23473 11.82325  1.000 34.74137  ? 213 ASP A O   1 
ATOM   1509 C  CB  . ASP A 1 214 ? -2.06874  -34.51146 14.48775  1.000 31.40846  ? 213 ASP A CB  1 
ATOM   1510 C  CG  . ASP A 1 214 ? -1.32746  -35.82632 14.72518  1.000 46.55002  ? 213 ASP A CG  1 
ATOM   1511 O  OD1 . ASP A 1 214 ? -0.12160  -35.91271 14.40060  1.000 39.04362  ? 213 ASP A OD1 1 
ATOM   1512 O  OD2 . ASP A 1 214 ? -1.95273  -36.77777 15.24322  1.000 52.56606  ? 213 ASP A OD2 1 
ATOM   1513 N  N   . PRO A 1 215 ? 0.61255   -33.13977 12.37341  1.000 30.73693  ? 214 PRO A N   1 
ATOM   1514 C  CA  . PRO A 1 215 ? 1.14437   -33.27594 11.00650  1.000 33.86085  ? 214 PRO A CA  1 
ATOM   1515 C  C   . PRO A 1 215 ? 1.25035   -34.71562 10.54383  1.000 34.83193  ? 214 PRO A C   1 
ATOM   1516 O  O   . PRO A 1 215 ? 1.02757   -35.00510 9.36189   1.000 45.44744  ? 214 PRO A O   1 
ATOM   1517 C  CB  . PRO A 1 215 ? 2.52594   -32.61788 11.10961  1.000 36.63056  ? 214 PRO A CB  1 
ATOM   1518 C  CG  . PRO A 1 215 ? 2.39678   -31.65785 12.23336  1.000 30.16831  ? 214 PRO A CG  1 
ATOM   1519 C  CD  . PRO A 1 215 ? 1.46005   -32.28066 13.21653  1.000 31.74472  ? 214 PRO A CD  1 
ATOM   1520 N  N   . ASP A 1 216 ? 1.58228   -35.63365 11.44747  1.000 36.85835  ? 215 ASP A N   1 
ATOM   1521 C  CA  . ASP A 1 216 ? 1.68289   -37.03408 11.05980  1.000 48.90908  ? 215 ASP A CA  1 
ATOM   1522 C  C   . ASP A 1 216 ? 0.33563   -37.64656 10.70238  1.000 55.98250  ? 215 ASP A C   1 
ATOM   1523 O  O   . ASP A 1 216 ? 0.31200   -38.71368 10.08569  1.000 62.58034  ? 215 ASP A O   1 
ATOM   1524 C  CB  . ASP A 1 216 ? 2.34451   -37.83861 12.17940  1.000 53.84073  ? 215 ASP A CB  1 
ATOM   1525 C  CG  . ASP A 1 216 ? 3.78191   -37.41365 12.42566  1.000 63.36604  ? 215 ASP A CG  1 
ATOM   1526 O  OD1 . ASP A 1 216 ? 4.42270   -36.90774 11.47529  1.000 57.67347  ? 215 ASP A OD1 1 
ATOM   1527 O  OD2 . ASP A 1 216 ? 4.26973   -37.58391 13.56511  1.000 61.91759  ? 215 ASP A OD2 1 
ATOM   1528 N  N   . ASP A 1 217 ? -0.77657  -36.99380 11.04548  1.000 51.81602  ? 216 ASP A N   1 
ATOM   1529 C  CA  . ASP A 1 217 ? -2.11189  -37.53332 10.81235  1.000 46.25058  ? 216 ASP A CA  1 
ATOM   1530 C  C   . ASP A 1 217 ? -2.89144  -36.67733 9.81455   1.000 52.31770  ? 216 ASP A C   1 
ATOM   1531 O  O   . ASP A 1 217 ? -4.12257  -36.74571 9.75691   1.000 58.84044  ? 216 ASP A O   1 
ATOM   1532 C  CB  . ASP A 1 217 ? -2.85286  -37.65969 12.14969  1.000 54.01743  ? 216 ASP A CB  1 
ATOM   1533 C  CG  . ASP A 1 217 ? -4.24485  -38.26510 12.01299  1.000 74.33998  ? 216 ASP A CG  1 
ATOM   1534 O  OD1 . ASP A 1 217 ? -5.17606  -37.80621 12.71479  1.000 73.98047  ? 216 ASP A OD1 1 
ATOM   1535 O  OD2 . ASP A 1 217 ? -4.40401  -39.20409 11.20533  1.000 74.46044  ? 216 ASP A OD2 1 
ATOM   1536 N  N   . GLY A 1 218 ? -2.19804  -35.85759 9.03048   1.000 44.60266  ? 217 GLY A N   1 
ATOM   1537 C  CA  . GLY A 1 218 ? -2.84486  -35.06431 8.00676   1.000 36.08908  ? 217 GLY A CA  1 
ATOM   1538 C  C   . GLY A 1 218 ? -3.42544  -33.73794 8.44069   1.000 48.69244  ? 217 GLY A C   1 
ATOM   1539 O  O   . GLY A 1 218 ? -4.12633  -33.10284 7.64243   1.000 50.15225  ? 217 GLY A O   1 
ATOM   1540 N  N   . ARG A 1 219 ? -3.16008  -33.28778 9.66628   1.000 33.32787  ? 218 ARG A N   1 
ATOM   1541 C  CA  . ARG A 1 219 ? -3.70197  -32.02928 10.16814  1.000 29.78288  ? 218 ARG A CA  1 
ATOM   1542 C  C   . ARG A 1 219 ? -2.52632  -31.09290 10.42086  1.000 29.45535  ? 218 ARG A C   1 
ATOM   1543 O  O   . ARG A 1 219 ? -2.00982  -31.02544 11.53646  1.000 26.27155  ? 218 ARG A O   1 
ATOM   1544 C  CB  . ARG A 1 219 ? -4.51403  -32.22671 11.44476  1.000 31.96405  ? 218 ARG A CB  1 
ATOM   1545 C  CG  . ARG A 1 219 ? -5.99691  -32.33291 11.22830  1.000 51.60438  ? 218 ARG A CG  1 
ATOM   1546 C  CD  . ARG A 1 219 ? -6.75045  -32.40231 12.54139  1.000 38.93767  ? 218 ARG A CD  1 
ATOM   1547 N  NE  . ARG A 1 219 ? -5.90783  -32.72778 13.68905  1.000 32.42471  ? 218 ARG A NE  1 
ATOM   1548 C  CZ  . ARG A 1 219 ? -5.80892  -33.94380 14.21331  1.000 36.22242  ? 218 ARG A CZ  1 
ATOM   1549 N  NH1 . ARG A 1 219 ? -6.32780  -35.00150 13.60758  1.000 35.95621  ? 218 ARG A NH1 1 
ATOM   1550 N  NH2 . ARG A 1 219 ? -5.16950  -34.10363 15.36985  1.000 35.16548  ? 218 ARG A NH2 1 
ATOM   1551 N  N   . ASP A 1 220 ? -2.10768  -30.37469 9.39247   1.000 26.68356  ? 219 ASP A N   1 
ATOM   1552 C  CA  . ASP A 1 220 ? -1.02252  -29.41982 9.52649   1.000 23.94232  ? 219 ASP A CA  1 
ATOM   1553 C  C   . ASP A 1 220 ? -1.53346  -27.99372 9.36439   1.000 19.89735  ? 219 ASP A C   1 
ATOM   1554 O  O   . ASP A 1 220 ? -2.67608  -27.74505 8.97697   1.000 21.83234  ? 219 ASP A O   1 
ATOM   1555 C  CB  . ASP A 1 220 ? 0.08350   -29.69036 8.50592   1.000 25.35692  ? 219 ASP A CB  1 
ATOM   1556 C  CG  . ASP A 1 220 ? 1.47495   -29.51107 9.10161   1.000 31.37420  ? 219 ASP A CG  1 
ATOM   1557 O  OD1 . ASP A 1 220 ? 1.67328   -28.56593 9.90075   1.000 25.15037  ? 219 ASP A OD1 1 
ATOM   1558 O  OD2 . ASP A 1 220 ? 2.37540   -30.30570 8.75610   1.000 34.36946  ? 219 ASP A OD2 1 
ATOM   1559 N  N   . CYS A 1 221 ? -0.65142  -27.05447 9.66901   1.000 19.20226  ? 220 CYS A N   1 
ATOM   1560 C  CA  . CYS A 1 221 ? -0.93447  -25.63229 9.57837   1.000 18.52506  ? 220 CYS A CA  1 
ATOM   1561 C  C   . CYS A 1 221 ? -0.36097  -25.12339 8.26075   1.000 21.58273  ? 220 CYS A C   1 
ATOM   1562 O  O   . CYS A 1 221 ? 0.85703   -25.12664 8.07074   1.000 24.85889  ? 220 CYS A O   1 
ATOM   1563 C  CB  . CYS A 1 221 ? -0.32686  -24.92130 10.78531  1.000 18.25962  ? 220 CYS A CB  1 
ATOM   1564 S  SG  . CYS A 1 221 ? -0.52846  -23.14524 10.78780  1.000 21.53354  ? 220 CYS A SG  1 
ATOM   1565 N  N   . HIS A 1 222 ? -1.24016  -24.73628 7.33596   1.000 18.40605  ? 221 HIS A N   1 
ATOM   1566 C  CA  . HIS A 1 222 ? -0.84989  -24.16749 6.04803   1.000 21.17163  ? 221 HIS A CA  1 
ATOM   1567 C  C   . HIS A 1 222 ? -1.05328  -22.65905 6.06261   1.000 19.38552  ? 221 HIS A C   1 
ATOM   1568 O  O   . HIS A 1 222 ? -2.05336  -22.17073 6.59350   1.000 22.75592  ? 221 HIS A O   1 
ATOM   1569 C  CB  . HIS A 1 222 ? -1.68333  -24.78275 4.92544   1.000 21.71423  ? 221 HIS A CB  1 
ATOM   1570 C  CG  . HIS A 1 222 ? -1.79040  -26.27336 5.00228   1.000 27.10469  ? 221 HIS A CG  1 
ATOM   1571 N  ND1 . HIS A 1 222 ? -0.93902  -27.11325 4.31652   1.000 37.46630  ? 221 HIS A ND1 1 
ATOM   1572 C  CD2 . HIS A 1 222 ? -2.62539  -27.07472 5.70751   1.000 25.46620  ? 221 HIS A CD2 1 
ATOM   1573 C  CE1 . HIS A 1 222 ? -1.25406  -28.36857 4.58210   1.000 39.37827  ? 221 HIS A CE1 1 
ATOM   1574 N  NE2 . HIS A 1 222 ? -2.26756  -28.37370 5.42930   1.000 35.04300  ? 221 HIS A NE2 1 
ATOM   1575 N  N   . TYR A 1 223 ? -0.10286  -21.93135 5.48090   1.000 19.06546  ? 222 TYR A N   1 
ATOM   1576 C  CA  . TYR A 1 223 ? -0.14793  -20.48043 5.37847   1.000 17.28696  ? 222 TYR A CA  1 
ATOM   1577 C  C   . TYR A 1 223 ? -0.60068  -20.07503 3.98711   1.000 18.93466  ? 222 TYR A C   1 
ATOM   1578 O  O   . TYR A 1 223 ? -0.37923  -20.79723 3.01809   1.000 22.38183  ? 222 TYR A O   1 
ATOM   1579 C  CB  . TYR A 1 223 ? 1.22178   -19.85854 5.64493   1.000 15.80603  ? 222 TYR A CB  1 
ATOM   1580 C  CG  . TYR A 1 223 ? 1.65039   -20.10749 7.06886   1.000 14.79205  ? 222 TYR A CG  1 
ATOM   1581 C  CD1 . TYR A 1 223 ? 1.24001   -19.24784 8.08290   1.000 15.36970  ? 222 TYR A CD1 1 
ATOM   1582 C  CD2 . TYR A 1 223 ? 2.40048   -21.22521 7.40389   1.000 20.30088  ? 222 TYR A CD2 1 
ATOM   1583 C  CE1 . TYR A 1 223 ? 1.59560   -19.48741 9.40805   1.000 16.38014  ? 222 TYR A CE1 1 
ATOM   1584 C  CE2 . TYR A 1 223 ? 2.75646   -21.47245 8.74999   1.000 20.08018  ? 222 TYR A CE2 1 
ATOM   1585 C  CZ  . TYR A 1 223 ? 2.35072   -20.59697 9.72634   1.000 21.85255  ? 222 TYR A CZ  1 
ATOM   1586 O  OH  . TYR A 1 223 ? 2.69719   -20.82270 11.05990  1.000 18.01648  ? 222 TYR A OH  1 
ATOM   1587 N  N   . TYR A 1 224 ? -1.22406  -18.90272 3.90537   1.000 17.88579  ? 223 TYR A N   1 
ATOM   1588 C  CA  . TYR A 1 224 ? -1.77584  -18.41130 2.64834   1.000 18.73860  ? 223 TYR A CA  1 
ATOM   1589 C  C   . TYR A 1 224 ? -1.49144  -16.92627 2.49028   1.000 20.79204  ? 223 TYR A C   1 
ATOM   1590 O  O   . TYR A 1 224 ? -1.28654  -16.19839 3.46279   1.000 21.40363  ? 223 TYR A O   1 
ATOM   1591 C  CB  . TYR A 1 224 ? -3.29762  -18.64269 2.56628   1.000 19.69217  ? 223 TYR A CB  1 
ATOM   1592 C  CG  . TYR A 1 224 ? -3.70073  -20.09214 2.67676   1.000 21.46852  ? 223 TYR A CG  1 
ATOM   1593 C  CD1 . TYR A 1 224 ? -3.86300  -20.68834 3.92186   1.000 23.88491  ? 223 TYR A CD1 1 
ATOM   1594 C  CD2 . TYR A 1 224 ? -3.91221  -20.86844 1.53524   1.000 20.16835  ? 223 TYR A CD2 1 
ATOM   1595 C  CE1 . TYR A 1 224 ? -4.21870  -22.01636 4.03711   1.000 25.05455  ? 223 TYR A CE1 1 
ATOM   1596 C  CE2 . TYR A 1 224 ? -4.27556  -22.21156 1.64245   1.000 29.38609  ? 223 TYR A CE2 1 
ATOM   1597 C  CZ  . TYR A 1 224 ? -4.42340  -22.77428 2.90599   1.000 28.55742  ? 223 TYR A CZ  1 
ATOM   1598 O  OH  . TYR A 1 224 ? -4.78173  -24.10180 3.04822   1.000 28.52680  ? 223 TYR A OH  1 
ATOM   1599 N  N   . ARG A 1 225 ? -1.47303  -16.49560 1.23319   1.000 22.32064  ? 224 ARG A N   1 
ATOM   1600 C  CA  . ARG A 1 225 ? -1.50357  -15.09664 0.83484   1.000 24.49653  ? 224 ARG A CA  1 
ATOM   1601 C  C   . ARG A 1 225 ? -2.87186  -14.80794 0.23288   1.000 27.80675  ? 224 ARG A C   1 
ATOM   1602 O  O   . ARG A 1 225 ? -3.35878  -15.59675 -0.57655  1.000 28.22334  ? 224 ARG A O   1 
ATOM   1603 C  CB  . ARG A 1 225 ? -0.43222  -14.81901 -0.23667  1.000 22.44056  ? 224 ARG A CB  1 
ATOM   1604 C  CG  . ARG A 1 225 ? 0.95440   -14.42880 0.25807   1.000 46.76036  ? 224 ARG A CG  1 
ATOM   1605 C  CD  . ARG A 1 225 ? 1.98750   -14.52599 -0.87578  1.000 42.02293  ? 224 ARG A CD  1 
ATOM   1606 N  NE  . ARG A 1 225 ? 1.74637   -13.59075 -1.97014  1.000 46.79966  ? 224 ARG A NE  1 
ATOM   1607 C  CZ  . ARG A 1 225 ? 2.33147   -13.66837 -3.15941  1.000 52.64072  ? 224 ARG A CZ  1 
ATOM   1608 N  NH1 . ARG A 1 225 ? 3.18879   -14.63648 -3.44797  1.000 46.90741  ? 224 ARG A NH1 1 
ATOM   1609 N  NH2 . ARG A 1 225 ? 2.05873   -12.74863 -4.08011  1.000 40.96257  ? 224 ARG A NH2 1 
ATOM   1610 N  N   A VAL A 1 226 ? -3.49038  -13.69056 0.61358   0.490 27.41375  ? 225 VAL A N   1 
ATOM   1611 N  N   B VAL A 1 226 ? -3.47416  -13.68114 0.61390   0.510 27.39995  ? 225 VAL A N   1 
ATOM   1612 C  CA  A VAL A 1 226 ? -4.67032  -13.20180 -0.09858  0.490 32.45762  ? 225 VAL A CA  1 
ATOM   1613 C  CA  B VAL A 1 226 ? -4.65046  -13.15653 -0.07654  0.510 32.46904  ? 225 VAL A CA  1 
ATOM   1614 C  C   A VAL A 1 226 ? -4.19833  -12.21031 -1.14934  0.490 31.73697  ? 225 VAL A C   1 
ATOM   1615 C  C   B VAL A 1 226 ? -4.16439  -12.20993 -1.16185  0.510 31.75354  ? 225 VAL A C   1 
ATOM   1616 O  O   A VAL A 1 226 ? -3.41134  -11.30498 -0.85236  0.490 31.67928  ? 225 VAL A O   1 
ATOM   1617 O  O   B VAL A 1 226 ? -3.33607  -11.33049 -0.90142  0.510 31.67591  ? 225 VAL A O   1 
ATOM   1618 C  CB  A VAL A 1 226 ? -5.69360  -12.55826 0.85632   0.490 35.43616  ? 225 VAL A CB  1 
ATOM   1619 C  CB  B VAL A 1 226 ? -5.60120  -12.43664 0.89794   0.510 35.37802  ? 225 VAL A CB  1 
ATOM   1620 C  CG1 A VAL A 1 226 ? -5.00872  -11.90596 2.03197   0.490 34.47979  ? 225 VAL A CG1 1 
ATOM   1621 C  CG1 B VAL A 1 226 ? -7.04244  -12.85750 0.63958   0.510 37.15995  ? 225 VAL A CG1 1 
ATOM   1622 C  CG2 A VAL A 1 226 ? -6.56509  -11.54314 0.09427   0.490 35.07986  ? 225 VAL A CG2 1 
ATOM   1623 C  CG2 B VAL A 1 226 ? -5.20853  -12.70129 2.33294   0.510 32.79923  ? 225 VAL A CG2 1 
ATOM   1624 N  N   . LEU A 1 227 ? -4.66410  -12.38132 -2.38232  1.000 34.97362  ? 226 LEU A N   1 
ATOM   1625 C  CA  . LEU A 1 227 ? -4.10061  -11.67123 -3.52393  1.000 37.54301  ? 226 LEU A CA  1 
ATOM   1626 C  C   . LEU A 1 227 ? -4.95237  -10.48652 -3.96886  1.000 50.54537  ? 226 LEU A C   1 
ATOM   1627 O  O   . LEU A 1 227 ? -6.18393  -10.55814 -3.99279  1.000 41.41410  ? 226 LEU A O   1 
ATOM   1628 C  CB  . LEU A 1 227 ? -3.89142  -12.63529 -4.68723  1.000 31.38819  ? 226 LEU A CB  1 
ATOM   1629 C  CG  . LEU A 1 227 ? -2.97661  -13.79558 -4.30194  1.000 32.26108  ? 226 LEU A CG  1 
ATOM   1630 C  CD1 . LEU A 1 227 ? -2.78244  -14.69394 -5.49301  1.000 38.31514  ? 226 LEU A CD1 1 
ATOM   1631 C  CD2 . LEU A 1 227 ? -1.65047  -13.29228 -3.79167  1.000 40.10839  ? 226 LEU A CD2 1 
ATOM   1632 N  N   . GLU A 1 228 ? -4.27548  -9.39695  -4.34488  1.000 40.97149  ? 227 GLU A N   1 
ATOM   1633 C  CA  . GLU A 1 228 ? -4.95276  -8.16519  -4.71935  1.000 56.83699  ? 227 GLU A CA  1 
ATOM   1634 C  C   . GLU A 1 228 ? -5.01763  -8.05098  -6.23436  1.000 46.16696  ? 227 GLU A C   1 
ATOM   1635 O  O   . GLU A 1 228 ? -3.97713  -7.80405  -6.86786  1.000 43.35610  ? 227 GLU A O   1 
ATOM   1636 C  CB  . GLU A 1 228 ? -4.22435  -6.96115  -4.12530  1.000 57.41613  ? 227 GLU A CB  1 
ATOM   1637 C  CG  . GLU A 1 228 ? -4.12299  -6.99600  -2.60240  1.000 51.67906  ? 227 GLU A CG  1 
ATOM   1638 C  CD  . GLU A 1 228 ? -5.33081  -7.64008  -1.94832  0.000 46.39001  ? 227 GLU A CD  1 
ATOM   1639 O  OE1 . GLU A 1 228 ? -6.43136  -7.05240  -2.01451  0.000 47.50988  ? 227 GLU A OE1 1 
ATOM   1640 O  OE2 . GLU A 1 228 ? -5.17866  -8.73585  -1.36755  0.000 43.36232  ? 227 GLU A OE2 1 
ATOM   1641 N  N   . PRO A 1 229 ? -6.19224  -8.21442  -6.85468  1.000 38.53856  ? 228 PRO A N   1 
ATOM   1642 C  CA  . PRO A 1 229 ? -6.28576  -8.14716  -8.32206  1.000 48.61837  ? 228 PRO A CA  1 
ATOM   1643 C  C   . PRO A 1 229 ? -5.96070  -6.76532  -8.87610  1.000 59.91927  ? 228 PRO A C   1 
ATOM   1644 O  O   . PRO A 1 229 ? -5.88228  -5.76348  -8.16255  1.000 67.40736  ? 228 PRO A O   1 
ATOM   1645 C  CB  . PRO A 1 229 ? -7.75013  -8.51729  -8.60685  1.000 47.42743  ? 228 PRO A CB  1 
ATOM   1646 C  CG  . PRO A 1 229 ? -8.16418  -9.31659  -7.43204  1.000 52.20108  ? 228 PRO A CG  1 
ATOM   1647 C  CD  . PRO A 1 229 ? -7.44786  -8.69729  -6.25628  1.000 45.66990  ? 228 PRO A CD  1 
ATOM   1648 N  N   . VAL A 1 230 ? -5.77048  -6.73616  -10.19462 1.000 45.10839  ? 229 VAL A N   1 
ATOM   1649 C  CA  . VAL A 1 230 ? -5.60723  -5.50176  -10.95074 1.000 59.47590  ? 229 VAL A CA  1 
ATOM   1650 C  C   . VAL A 1 230 ? -6.71057  -5.39022  -12.00091 1.000 59.46996  ? 229 VAL A C   1 
ATOM   1651 O  O   . VAL A 1 230 ? -7.75705  -4.78243  -11.75902 1.000 73.49214  ? 229 VAL A O   1 
ATOM   1652 C  CB  . VAL A 1 230 ? -4.21969  -5.42923  -11.61169 1.000 50.45938  ? 229 VAL A CB  1 
ATOM   1653 C  CG1 . VAL A 1 230 ? -4.08510  -4.15905  -12.42842 1.000 60.06430  ? 229 VAL A CG1 1 
ATOM   1654 C  CG2 . VAL A 1 230 ? -3.13933  -5.49766  -10.55641 1.000 51.12664  ? 229 VAL A CG2 1 
ATOM   1655 N  N   . ASP A 1 241 ? -18.60034 -4.13775  1.59150   1.000 87.91172  ? 240 ASP A N   1 
ATOM   1656 C  CA  . ASP A 1 241 ? -17.42249 -4.93930  1.27225   1.000 82.49071  ? 240 ASP A CA  1 
ATOM   1657 C  C   . ASP A 1 241 ? -17.58615 -6.40141  1.66464   1.000 74.09007  ? 240 ASP A C   1 
ATOM   1658 O  O   . ASP A 1 241 ? -17.41662 -7.29272  0.83482   1.000 72.59861  ? 240 ASP A O   1 
ATOM   1659 C  CB  . ASP A 1 241 ? -16.17503 -4.36493  1.95777   1.000 81.45255  ? 240 ASP A CB  1 
ATOM   1660 C  CG  . ASP A 1 241 ? -15.69823 -3.07205  1.32211   1.000 92.65293  ? 240 ASP A CG  1 
ATOM   1661 O  OD1 . ASP A 1 241 ? -15.58525 -3.02802  0.07868   1.000 89.45501  ? 240 ASP A OD1 1 
ATOM   1662 O  OD2 . ASP A 1 241 ? -15.43726 -2.10034  2.06457   1.000 95.23015  ? 240 ASP A OD2 1 
ATOM   1663 N  N   . LEU A 1 242 ? -17.91499 -6.65373  2.92914   1.000 72.56568  ? 241 LEU A N   1 
ATOM   1664 C  CA  . LEU A 1 242 ? -17.86192 -8.03846  3.36280   1.000 60.40286  ? 241 LEU A CA  1 
ATOM   1665 C  C   . LEU A 1 242 ? -19.25762 -8.63383  3.46991   1.000 61.28535  ? 241 LEU A C   1 
ATOM   1666 O  O   . LEU A 1 242 ? -20.20511 -7.94727  3.86502   1.000 71.89307  ? 241 LEU A O   1 
ATOM   1667 C  CB  . LEU A 1 242 ? -17.15060 -8.16031  4.71276   1.000 55.93479  ? 241 LEU A CB  1 
ATOM   1668 C  CG  . LEU A 1 242 ? -15.75134 -7.54914  4.69876   1.000 53.12840  ? 241 LEU A CG  1 
ATOM   1669 C  CD1 . LEU A 1 242 ? -15.02820 -7.87478  5.98502   1.000 50.61874  ? 241 LEU A CD1 1 
ATOM   1670 C  CD2 . LEU A 1 242 ? -14.95929 -8.03892  3.50560   1.000 52.33872  ? 241 LEU A CD2 1 
ATOM   1671 N  N   . PRO A 1 243 ? -19.41682 -9.91975  3.13334   1.000 61.01867  ? 242 PRO A N   1 
ATOM   1672 C  CA  . PRO A 1 243 ? -18.38044 -10.86173 2.67577   1.000 54.93628  ? 242 PRO A CA  1 
ATOM   1673 C  C   . PRO A 1 243 ? -18.10116 -10.77220 1.17610   1.000 58.04577  ? 242 PRO A C   1 
ATOM   1674 O  O   . PRO A 1 243 ? -19.02258 -10.67615 0.36745   1.000 45.80877  ? 242 PRO A O   1 
ATOM   1675 C  CB  . PRO A 1 243 ? -18.97255 -12.22310 3.05217   1.000 54.53985  ? 242 PRO A CB  1 
ATOM   1676 C  CG  . PRO A 1 243 ? -20.47284 -12.01890 2.92470   1.000 42.42647  ? 242 PRO A CG  1 
ATOM   1677 C  CD  . PRO A 1 243 ? -20.73146 -10.57336 3.28286   1.000 60.78212  ? 242 PRO A CD  1 
ATOM   1678 N  N   . ARG A 1 244 ? -16.83445 -10.82634 0.76802   1.000 41.33707  ? 243 ARG A N   1 
ATOM   1679 C  CA  . ARG A 1 244 ? -16.47535 -10.70753 -0.63330  1.000 44.60401  ? 243 ARG A CA  1 
ATOM   1680 C  C   . ARG A 1 244 ? -15.51495 -11.82248 -1.02947  1.000 38.74053  ? 243 ARG A C   1 
ATOM   1681 O  O   . ARG A 1 244 ? -14.80599 -12.39465 -0.19677  1.000 39.69670  ? 243 ARG A O   1 
ATOM   1682 C  CB  . ARG A 1 244 ? -15.85874 -9.33813  -0.93268  1.000 43.79198  ? 243 ARG A CB  1 
ATOM   1683 C  CG  . ARG A 1 244 ? -14.44664 -9.17029  -0.45718  1.000 46.73550  ? 243 ARG A CG  1 
ATOM   1684 C  CD  . ARG A 1 244 ? -13.72061 -8.13604  -1.29290  1.000 52.05179  ? 243 ARG A CD  1 
ATOM   1685 N  NE  . ARG A 1 244 ? -12.51043 -7.67567  -0.62776  1.000 55.41837  ? 243 ARG A NE  1 
ATOM   1686 C  CZ  . ARG A 1 244 ? -12.49735 -6.90252  0.44827   1.000 58.81059  ? 243 ARG A CZ  1 
ATOM   1687 N  NH1 . ARG A 1 244 ? -13.61621 -6.42393  0.96940   1.000 60.87050  ? 243 ARG A NH1 1 
ATOM   1688 N  NH2 . ARG A 1 244 ? -11.33210 -6.59784  1.01250   1.000 53.26043  ? 243 ARG A NH2 1 
ATOM   1689 N  N   . GLU A 1 245 ? -15.50124 -12.12534 -2.32642  1.000 43.11905  ? 244 GLU A N   1 
ATOM   1690 C  CA  . GLU A 1 245 ? -14.64958 -13.18588 -2.84449  1.000 35.46543  ? 244 GLU A CA  1 
ATOM   1691 C  C   . GLU A 1 245 ? -13.22092 -12.68441 -3.01627  1.000 42.16590  ? 244 GLU A C   1 
ATOM   1692 O  O   . GLU A 1 245 ? -12.99204 -11.56774 -3.48631  1.000 44.48293  ? 244 GLU A O   1 
ATOM   1693 C  CB  . GLU A 1 245 ? -15.19791 -13.70653 -4.17892  1.000 43.92981  ? 244 GLU A CB  1 
ATOM   1694 C  CG  . GLU A 1 245 ? -14.30117 -14.74208 -4.84476  1.000 53.49408  ? 244 GLU A CG  1 
ATOM   1695 C  CD  . GLU A 1 245 ? -14.79832 -15.16641 -6.21034  0.000 55.51338  ? 244 GLU A CD  1 
ATOM   1696 O  OE1 . GLU A 1 245 ? -14.72822 -14.35599 -7.15771  1.000 64.50040  ? 244 GLU A OE1 1 
ATOM   1697 O  OE2 . GLU A 1 245 ? -15.25455 -16.31989 -6.33619  1.000 65.98431  ? 244 GLU A OE2 1 
ATOM   1698 N  N   . VAL A 1 246 ? -12.25620 -13.50983 -2.61435  1.000 37.02424  ? 245 VAL A N   1 
ATOM   1699 C  CA  . VAL A 1 246 ? -10.84098 -13.20567 -2.77359  1.000 36.84986  ? 245 VAL A CA  1 
ATOM   1700 C  C   . VAL A 1 246 ? -10.15785 -14.39444 -3.43862  1.000 31.38575  ? 245 VAL A C   1 
ATOM   1701 O  O   . VAL A 1 246 ? -10.77114 -15.42755 -3.69516  1.000 35.11013  ? 245 VAL A O   1 
ATOM   1702 C  CB  . VAL A 1 246 ? -10.15535 -12.86897 -1.43688  1.000 35.45284  ? 245 VAL A CB  1 
ATOM   1703 C  CG1 . VAL A 1 246 ? -10.69098 -11.56268 -0.88397  1.000 42.88899  ? 245 VAL A CG1 1 
ATOM   1704 C  CG2 . VAL A 1 246 ? -10.30387 -14.02451 -0.44243  1.000 29.03194  ? 245 VAL A CG2 1 
ATOM   1705 N  N   . TRP A 1 247 ? -8.86834  -14.23053 -3.71749  1.000 32.38174  ? 246 TRP A N   1 
ATOM   1706 C  CA  . TRP A 1 247 ? -8.03295  -15.30290 -4.22484  1.000 29.31182  ? 246 TRP A CA  1 
ATOM   1707 C  C   . TRP A 1 247 ? -6.93703  -15.59878 -3.21715  1.000 27.34281  ? 246 TRP A C   1 
ATOM   1708 O  O   . TRP A 1 247 ? -6.33392  -14.68140 -2.65269  1.000 36.48174  ? 246 TRP A O   1 
ATOM   1709 C  CB  . TRP A 1 247 ? -7.43851  -14.93941 -5.58870  1.000 31.74827  ? 246 TRP A CB  1 
ATOM   1710 C  CG  . TRP A 1 247 ? -8.48073  -14.83655 -6.65314  1.000 33.05052  ? 246 TRP A CG  1 
ATOM   1711 C  CD1 . TRP A 1 247 ? -9.09888  -13.70335 -7.08383  1.000 34.41594  ? 246 TRP A CD1 1 
ATOM   1712 C  CD2 . TRP A 1 247 ? -9.04194  -15.91554 -7.40891  1.000 33.55276  ? 246 TRP A CD2 1 
ATOM   1713 N  NE1 . TRP A 1 247 ? -10.00642 -14.00701 -8.06740  1.000 42.20504  ? 246 TRP A NE1 1 
ATOM   1714 C  CE2 . TRP A 1 247 ? -9.99300  -15.36112 -8.28050  1.000 36.34654  ? 246 TRP A CE2 1 
ATOM   1715 C  CE3 . TRP A 1 247 ? -8.82762  -17.29904 -7.43332  1.000 32.88441  ? 246 TRP A CE3 1 
ATOM   1716 C  CZ2 . TRP A 1 247 ? -10.72123 -16.13666 -9.18625  1.000 43.14523  ? 246 TRP A CZ2 1 
ATOM   1717 C  CZ3 . TRP A 1 247 ? -9.55892  -18.07138 -8.33599  1.000 34.36617  ? 246 TRP A CZ3 1 
ATOM   1718 C  CH2 . TRP A 1 247 ? -10.49409 -17.48835 -9.18496  1.000 37.23544  ? 246 TRP A CH2 1 
ATOM   1719 N  N   . LEU A 1 248 ? -6.67815  -16.88736 -3.01905  1.000 26.44583  ? 247 LEU A N   1 
ATOM   1720 C  CA  . LEU A 1 248 ? -5.78220  -17.39591 -1.99554  1.000 27.59987  ? 247 LEU A CA  1 
ATOM   1721 C  C   . LEU A 1 248 ? -4.66756  -18.20360 -2.63634  1.000 25.85391  ? 247 LEU A C   1 
ATOM   1722 O  O   . LEU A 1 248 ? -4.89953  -18.96501 -3.58076  1.000 31.75224  ? 247 LEU A O   1 
ATOM   1723 C  CB  . LEU A 1 248 ? -6.53079  -18.27988 -1.00829  1.000 25.39548  ? 247 LEU A CB  1 
ATOM   1724 C  CG  . LEU A 1 248 ? -7.58673  -17.56967 -0.16797  1.000 27.72181  ? 247 LEU A CG  1 
ATOM   1725 C  CD1 . LEU A 1 248 ? -8.51748  -18.59981 0.44294   1.000 27.86061  ? 247 LEU A CD1 1 
ATOM   1726 C  CD2 . LEU A 1 248 ? -6.88120  -16.76717 0.90279   1.000 27.52588  ? 247 LEU A CD2 1 
ATOM   1727 N  N   . LEU A 1 249 ? -3.46460  -18.04121 -2.11115  1.000 23.70964  ? 248 LEU A N   1 
ATOM   1728 C  CA  . LEU A 1 249 ? -2.29694  -18.77390 -2.57810  1.000 23.75585  ? 248 LEU A CA  1 
ATOM   1729 C  C   . LEU A 1 249 ? -1.61530  -19.37813 -1.36878  1.000 22.41807  ? 248 LEU A C   1 
ATOM   1730 O  O   . LEU A 1 249 ? -1.16148  -18.64064 -0.48534  1.000 25.90647  ? 248 LEU A O   1 
ATOM   1731 C  CB  . LEU A 1 249 ? -1.32422  -17.85637 -3.31198  1.000 24.59733  ? 248 LEU A CB  1 
ATOM   1732 C  CG  . LEU A 1 249 ? -0.04642  -18.52626 -3.80678  1.000 29.11829  ? 248 LEU A CG  1 
ATOM   1733 C  CD1 . LEU A 1 249 ? -0.39157  -19.58699 -4.85520  1.000 25.98725  ? 248 LEU A CD1 1 
ATOM   1734 C  CD2 . LEU A 1 249 ? 0.88122   -17.49035 -4.38587  1.000 33.32634  ? 248 LEU A CD2 1 
ATOM   1735 N  N   . GLU A 1 250 ? -1.53764  -20.70391 -1.32293  1.000 22.13860  ? 249 GLU A N   1 
ATOM   1736 C  CA  . GLU A 1 250 ? -0.78301  -21.33167 -0.23860  1.000 20.98138  ? 249 GLU A CA  1 
ATOM   1737 C  C   . GLU A 1 250 ? 0.69701   -21.01501 -0.39809  1.000 25.16227  ? 249 GLU A C   1 
ATOM   1738 O  O   . GLU A 1 250 ? 1.22799   -20.99106 -1.51192  1.000 27.68638  ? 249 GLU A O   1 
ATOM   1739 C  CB  . GLU A 1 250 ? -1.00314  -22.83980 -0.23726  1.000 29.27223  ? 249 GLU A CB  1 
ATOM   1740 C  CG  . GLU A 1 250 ? -0.32385  -23.54908 0.91409   1.000 31.48841  ? 249 GLU A CG  1 
ATOM   1741 C  CD  . GLU A 1 250 ? -0.74311  -24.99335 1.00370   1.000 36.21709  ? 249 GLU A CD  1 
ATOM   1742 O  OE1 . GLU A 1 250 ? -1.66853  -25.38994 0.26401   1.000 49.50548  ? 249 GLU A OE1 1 
ATOM   1743 O  OE2 . GLU A 1 250 ? -0.14941  -25.73091 1.80993   1.000 43.21723  ? 249 GLU A OE2 1 
ATOM   1744 N  N   . THR A 1 251 ? 1.36519   -20.77809 0.72345   1.000 24.01309  ? 250 THR A N   1 
ATOM   1745 C  CA  . THR A 1 251 ? 2.71142   -20.23461 0.71488   1.000 22.35696  ? 250 THR A CA  1 
ATOM   1746 C  C   . THR A 1 251 ? 3.47560   -20.83546 1.88461   1.000 24.29428  ? 250 THR A C   1 
ATOM   1747 O  O   . THR A 1 251 ? 2.85569   -21.23813 2.87557   1.000 21.54726  ? 250 THR A O   1 
ATOM   1748 C  CB  . THR A 1 251 ? 2.65549   -18.69606 0.80583   1.000 28.89428  ? 250 THR A CB  1 
ATOM   1749 O  OG1 . THR A 1 251 ? 3.91957   -18.12381 0.44941   1.000 48.93066  ? 250 THR A OG1 1 
ATOM   1750 C  CG2 . THR A 1 251 ? 2.20055   -18.21852 2.18868   1.000 21.64301  ? 250 THR A CG2 1 
ATOM   1751 N  N   . PRO A 1 252 ? 4.80283   -20.94470 1.79411   1.000 24.72079  ? 251 PRO A N   1 
ATOM   1752 C  CA  . PRO A 1 252 ? 5.57457   -21.38080 2.96758   1.000 21.16924  ? 251 PRO A CA  1 
ATOM   1753 C  C   . PRO A 1 252 ? 5.44425   -20.39537 4.12318   1.000 24.82417  ? 251 PRO A C   1 
ATOM   1754 O  O   . PRO A 1 252 ? 5.06575   -19.23772 3.96077   1.000 22.16403  ? 251 PRO A O   1 
ATOM   1755 C  CB  . PRO A 1 252 ? 7.02220   -21.46178 2.46083   1.000 31.09841  ? 251 PRO A CB  1 
ATOM   1756 C  CG  . PRO A 1 252 ? 6.98579   -21.24586 1.00730   1.000 31.85055  ? 251 PRO A CG  1 
ATOM   1757 C  CD  . PRO A 1 252 ? 5.64152   -20.73146 0.60068   1.000 32.73633  ? 251 PRO A CD  1 
ATOM   1758 N  N   . GLN A 1 253 ? 5.74647   -20.87996 5.32715   1.000 22.28568  ? 252 GLN A N   1 
ATOM   1759 C  CA  . GLN A 1 253 ? 5.84261   -19.98989 6.47118   1.000 21.90396  ? 252 GLN A CA  1 
ATOM   1760 C  C   . GLN A 1 253 ? 6.79816   -18.83822 6.15671   1.000 27.72319  ? 252 GLN A C   1 
ATOM   1761 O  O   . GLN A 1 253 ? 7.91141   -19.05219 5.65794   1.000 22.05708  ? 252 GLN A O   1 
ATOM   1762 C  CB  . GLN A 1 253 ? 6.32967   -20.78894 7.68211   1.000 18.86392  ? 252 GLN A CB  1 
ATOM   1763 C  CG  . GLN A 1 253 ? 6.36778   -20.03479 8.97609   1.000 21.23434  ? 252 GLN A CG  1 
ATOM   1764 C  CD  . GLN A 1 253 ? 7.01446   -20.86199 10.05458  1.000 19.66297  ? 252 GLN A CD  1 
ATOM   1765 O  OE1 . GLN A 1 253 ? 6.82517   -22.08385 10.11409  1.000 19.43171  ? 252 GLN A OE1 1 
ATOM   1766 N  NE2 . GLN A 1 253 ? 7.81838   -20.21661 10.89451  1.000 18.03823  ? 252 GLN A NE2 1 
ATOM   1767 N  N   . ALA A 1 254 ? 6.34425   -17.61238 6.42154   1.000 20.57628  ? 253 ALA A N   1 
ATOM   1768 C  CA  . ALA A 1 254 ? 7.13252   -16.42571 6.09563   1.000 25.50403  ? 253 ALA A CA  1 
ATOM   1769 C  C   . ALA A 1 254 ? 8.49538   -16.46076 6.78171   1.000 26.15539  ? 253 ALA A C   1 
ATOM   1770 O  O   . ALA A 1 254 ? 8.64693   -16.97311 7.89039   1.000 24.55670  ? 253 ALA A O   1 
ATOM   1771 C  CB  . ALA A 1 254 ? 6.37516   -15.15869 6.50403   1.000 25.34880  ? 253 ALA A CB  1 
ATOM   1772 N  N   . ASP A 1 255 ? 9.50439   -15.90848 6.10650   1.000 21.47054  ? 254 ASP A N   1 
ATOM   1773 C  CA  . ASP A 1 255 ? 10.83805  -15.85805 6.70864   1.000 28.76056  ? 254 ASP A CA  1 
ATOM   1774 C  C   . ASP A 1 255 ? 10.86648  -15.03120 7.97952   1.000 29.44556  ? 254 ASP A C   1 
ATOM   1775 O  O   . ASP A 1 255 ? 11.64886  -15.32859 8.89075   1.000 33.48354  ? 254 ASP A O   1 
ATOM   1776 C  CB  . ASP A 1 255 ? 11.87053  -15.30326 5.72352   1.000 34.87342  ? 254 ASP A CB  1 
ATOM   1777 C  CG  . ASP A 1 255 ? 12.42127  -16.35718 4.80772   1.000 48.80672  ? 254 ASP A CG  1 
ATOM   1778 O  OD1 . ASP A 1 255 ? 12.49499  -17.53076 5.23077   1.000 54.43750  ? 254 ASP A OD1 1 
ATOM   1779 O  OD2 . ASP A 1 255 ? 12.77322  -16.01424 3.66008   1.000 64.27969  ? 254 ASP A OD2 1 
ATOM   1780 N  N   . ASP A 1 256 ? 10.04671  -13.98643 8.06938   1.000 26.38013  ? 255 ASP A N   1 
ATOM   1781 C  CA  . ASP A 1 256 ? 10.09946  -13.12787 9.24559   1.000 23.91937  ? 255 ASP A CA  1 
ATOM   1782 C  C   . ASP A 1 256 ? 9.11005   -13.53131 10.32537  1.000 20.95453  ? 255 ASP A C   1 
ATOM   1783 O  O   . ASP A 1 256 ? 8.98801   -12.81346 11.31886  1.000 26.64227  ? 255 ASP A O   1 
ATOM   1784 C  CB  . ASP A 1 256 ? 9.89701   -11.65188 8.86580   1.000 28.86658  ? 255 ASP A CB  1 
ATOM   1785 C  CG  . ASP A 1 256 ? 8.55916   -11.37262 8.18036   1.000 38.64546  ? 255 ASP A CG  1 
ATOM   1786 O  OD1 . ASP A 1 256 ? 7.79853   -12.31604 7.89275   1.000 33.56431  ? 255 ASP A OD1 1 
ATOM   1787 O  OD2 . ASP A 1 256 ? 8.27962   -10.18064 7.91487   1.000 44.52420  ? 255 ASP A OD2 1 
ATOM   1788 N  N   . PHE A 1 257 ? 8.42465   -14.66406 10.17826  1.000 18.96381  ? 256 PHE A N   1 
ATOM   1789 C  CA  . PHE A 1 257 ? 7.52518   -15.15456 11.21833  1.000 16.52767  ? 256 PHE A CA  1 
ATOM   1790 C  C   . PHE A 1 257 ? 8.05339   -16.45661 11.81654  1.000 18.48100  ? 256 PHE A C   1 
ATOM   1791 O  O   . PHE A 1 257 ? 8.26830   -17.43638 11.09884  1.000 16.40293  ? 256 PHE A O   1 
ATOM   1792 C  CB  . PHE A 1 257 ? 6.11341   -15.39684 10.67711  1.000 16.53574  ? 256 PHE A CB  1 
ATOM   1793 C  CG  . PHE A 1 257 ? 5.22392   -16.08135 11.67768  1.000 13.53482  ? 256 PHE A CG  1 
ATOM   1794 C  CD1 . PHE A 1 257 ? 4.94439   -15.46883 12.88976  1.000 17.40533  ? 256 PHE A CD1 1 
ATOM   1795 C  CD2 . PHE A 1 257 ? 4.70884   -17.34574 11.43173  1.000 16.02622  ? 256 PHE A CD2 1 
ATOM   1796 C  CE1 . PHE A 1 257 ? 4.15938   -16.08025 13.81879  1.000 17.14058  ? 256 PHE A CE1 1 
ATOM   1797 C  CE2 . PHE A 1 257 ? 3.89793   -17.98673 12.36692  1.000 16.93270  ? 256 PHE A CE2 1 
ATOM   1798 C  CZ  . PHE A 1 257 ? 3.61271   -17.35734 13.55923  1.000 16.74312  ? 256 PHE A CZ  1 
ATOM   1799 N  N   . TRP A 1 258 ? 8.24425   -16.47400 13.13127  1.000 15.76901  ? 257 TRP A N   1 
ATOM   1800 C  CA  . TRP A 1 258 ? 8.33048   -17.73552 13.83619  1.000 14.68839  ? 257 TRP A CA  1 
ATOM   1801 C  C   . TRP A 1 258 ? 7.94100   -17.46362 15.27116  1.000 14.34336  ? 257 TRP A C   1 
ATOM   1802 O  O   . TRP A 1 258 ? 7.85031   -16.31372 15.69922  1.000 16.73491  ? 257 TRP A O   1 
ATOM   1803 C  CB  . TRP A 1 258 ? 9.71958   -18.38325 13.72477  1.000 19.60834  ? 257 TRP A CB  1 
ATOM   1804 C  CG  . TRP A 1 258 ? 10.82363  -17.77974 14.55958  1.000 24.04096  ? 257 TRP A CG  1 
ATOM   1805 C  CD1 . TRP A 1 258 ? 11.34893  -18.28515 15.73152  1.000 25.73077  ? 257 TRP A CD1 1 
ATOM   1806 C  CD2 . TRP A 1 258 ? 11.58901  -16.61995 14.25196  1.000 26.36736  ? 257 TRP A CD2 1 
ATOM   1807 N  NE1 . TRP A 1 258 ? 12.36279  -17.48925 16.17180  1.000 25.70005  ? 257 TRP A NE1 1 
ATOM   1808 C  CE2 . TRP A 1 258 ? 12.53902  -16.46051 15.28220  1.000 24.58256  ? 257 TRP A CE2 1 
ATOM   1809 C  CE3 . TRP A 1 258 ? 11.55256  -15.68516 13.21839  1.000 25.51812  ? 257 TRP A CE3 1 
ATOM   1810 C  CZ2 . TRP A 1 258 ? 13.43102  -15.39723 15.31201  1.000 28.91999  ? 257 TRP A CZ2 1 
ATOM   1811 C  CZ3 . TRP A 1 258 ? 12.45371  -14.63582 13.23921  1.000 31.77776  ? 257 TRP A CZ3 1 
ATOM   1812 C  CH2 . TRP A 1 258 ? 13.37942  -14.49996 14.28173  1.000 35.87478  ? 257 TRP A CH2 1 
ATOM   1813 N  N   . CYS A 1 259 ? 7.71791   -18.53944 16.00846  1.000 13.44838  ? 258 CYS A N   1 
ATOM   1814 C  CA  . CYS A 1 259 ? 7.21322   -18.45896 17.36667  1.000 13.49679  ? 258 CYS A CA  1 
ATOM   1815 C  C   . CYS A 1 259 ? 8.07137   -19.34561 18.25667  1.000 21.20729  ? 258 CYS A C   1 
ATOM   1816 O  O   . CYS A 1 259 ? 8.38182   -20.47680 17.87522  1.000 24.51755  ? 258 CYS A O   1 
ATOM   1817 C  CB  . CYS A 1 259 ? 5.75461   -18.89319 17.36532  1.000 13.94309  ? 258 CYS A CB  1 
ATOM   1818 S  SG  . CYS A 1 259 ? 4.96202   -18.81724 18.98354  1.000 19.58782  ? 258 CYS A SG  1 
ATOM   1819 N  N   . GLU A 1 260 ? 8.48593   -18.83237 19.42396  1.000 14.90647  ? 259 GLU A N   1 
ATOM   1820 C  CA  . GLU A 1 260 ? 9.30552   -19.60605 20.35369  1.000 13.45980  ? 259 GLU A CA  1 
ATOM   1821 C  C   . GLU A 1 260 ? 8.53056   -19.75398 21.65148  1.000 16.95108  ? 259 GLU A C   1 
ATOM   1822 O  O   . GLU A 1 260 ? 7.76489   -18.87454 22.01186  1.000 15.28994  ? 259 GLU A O   1 
ATOM   1823 C  CB  . GLU A 1 260 ? 10.66590  -18.93897 20.66680  1.000 19.93959  ? 259 GLU A CB  1 
ATOM   1824 C  CG  . GLU A 1 260 ? 11.71142  -19.14538 19.59656  1.000 32.67568  ? 259 GLU A CG  1 
ATOM   1825 C  CD  . GLU A 1 260 ? 12.91457  -18.23931 19.78148  1.000 41.70237  ? 259 GLU A CD  1 
ATOM   1826 O  OE1 . GLU A 1 260 ? 13.23637  -17.92719 20.95306  1.000 39.28829  ? 259 GLU A OE1 1 
ATOM   1827 O  OE2 . GLU A 1 260 ? 13.52805  -17.84959 18.75825  1.000 36.36651  ? 259 GLU A OE2 1 
ATOM   1828 N  N   . GLY A 1 261 ? 8.74858   -20.85583 22.36438  1.000 18.25864  ? 260 GLY A N   1 
ATOM   1829 C  CA  . GLY A 1 261 ? 8.08765   -21.02755 23.65050  1.000 16.09463  ? 260 GLY A CA  1 
ATOM   1830 C  C   . GLY A 1 261 ? 8.69392   -20.14526 24.72751  1.000 17.90144  ? 260 GLY A C   1 
ATOM   1831 O  O   . GLY A 1 261 ? 9.87811   -19.78597 24.69115  1.000 20.21025  ? 260 GLY A O   1 
ATOM   1832 N  N   . GLU A 1 262 ? 7.87388   -19.79447 25.70999  1.000 16.58919  ? 261 GLU A N   1 
ATOM   1833 C  CA  . GLU A 1 262 ? 8.36047   -19.19411 26.94417  1.000 19.40296  ? 261 GLU A CA  1 
ATOM   1834 C  C   . GLU A 1 262 ? 7.55540   -19.76909 28.09633  1.000 15.32815  ? 261 GLU A C   1 
ATOM   1835 O  O   . GLU A 1 262 ? 6.48028   -20.33180 27.88531  1.000 14.97561  ? 261 GLU A O   1 
ATOM   1836 C  CB  . GLU A 1 262 ? 8.27425   -17.66069 26.92906  1.000 19.27603  ? 261 GLU A CB  1 
ATOM   1837 C  CG  . GLU A 1 262 ? 6.88442   -17.04614 26.87172  1.000 16.81978  ? 261 GLU A CG  1 
ATOM   1838 C  CD  . GLU A 1 262 ? 6.97328   -15.53519 27.10136  1.000 28.13162  ? 261 GLU A CD  1 
ATOM   1839 O  OE1 . GLU A 1 262 ? 7.25507   -15.09295 28.24833  1.000 21.82482  ? 261 GLU A OE1 1 
ATOM   1840 O  OE2 . GLU A 1 262 ? 6.81594   -14.77952 26.12503  1.000 23.18157  ? 261 GLU A OE2 1 
ATOM   1841 N  N   . PRO A 1 263 ? 8.07199   -19.68791 29.32322  1.000 18.44676  ? 262 PRO A N   1 
ATOM   1842 C  CA  . PRO A 1 263 ? 7.38318   -20.35069 30.43940  1.000 18.17628  ? 262 PRO A CA  1 
ATOM   1843 C  C   . PRO A 1 263 ? 6.02372   -19.73546 30.71891  1.000 15.54706  ? 262 PRO A C   1 
ATOM   1844 O  O   . PRO A 1 263 ? 5.83503   -18.52278 30.61680  1.000 18.62540  ? 262 PRO A O   1 
ATOM   1845 C  CB  . PRO A 1 263 ? 8.33704   -20.14444 31.62725  1.000 16.72512  ? 262 PRO A CB  1 
ATOM   1846 C  CG  . PRO A 1 263 ? 9.64769   -19.95171 31.03005  1.000 21.64261  ? 262 PRO A CG  1 
ATOM   1847 C  CD  . PRO A 1 263 ? 9.43801   -19.28407 29.68134  1.000 18.55114  ? 262 PRO A CD  1 
ATOM   1848 N  N   . TYR A 1 264 ? 5.07102   -20.60916 31.06216  1.000 15.49242  ? 263 TYR A N   1 
ATOM   1849 C  CA  . TYR A 1 264 ? 3.73458   -20.21445 31.48369  1.000 14.29145  ? 263 TYR A CA  1 
ATOM   1850 C  C   . TYR A 1 264 ? 3.74318   -19.94638 32.98742  1.000 18.15897  ? 263 TYR A C   1 
ATOM   1851 O  O   . TYR A 1 264 ? 4.09593   -20.84850 33.75378  1.000 16.62726  ? 263 TYR A O   1 
ATOM   1852 C  CB  . TYR A 1 264 ? 2.75522   -21.32720 31.15020  1.000 15.43066  ? 263 TYR A CB  1 
ATOM   1853 C  CG  . TYR A 1 264 ? 1.43597   -21.23587 31.86431  1.000 14.14499  ? 263 TYR A CG  1 
ATOM   1854 C  CD1 . TYR A 1 264 ? 0.65318   -20.08983 31.76074  1.000 11.83739  ? 263 TYR A CD1 1 
ATOM   1855 C  CD2 . TYR A 1 264 ? 0.96999   -22.29772 32.64714  1.000 14.58738  ? 263 TYR A CD2 1 
ATOM   1856 C  CE1 . TYR A 1 264 ? -0.54705  -19.98552 32.41884  1.000 14.36071  ? 263 TYR A CE1 1 
ATOM   1857 C  CE2 . TYR A 1 264 ? -0.23404  -22.20505 33.31484  1.000 16.80848  ? 263 TYR A CE2 1 
ATOM   1858 C  CZ  . TYR A 1 264 ? -0.98802  -21.04265 33.19725  1.000 13.73469  ? 263 TYR A CZ  1 
ATOM   1859 O  OH  . TYR A 1 264 ? -2.19585  -20.90203 33.84918  1.000 15.51088  ? 263 TYR A OH  1 
ATOM   1860 N  N   . PRO A 1 265 ? 3.41091   -18.74160 33.45183  1.000 15.48961  ? 264 PRO A N   1 
ATOM   1861 C  CA  . PRO A 1 265 ? 3.55070   -18.42852 34.88631  1.000 14.61818  ? 264 PRO A CA  1 
ATOM   1862 C  C   . PRO A 1 265 ? 2.33015   -18.68152 35.75570  1.000 18.70232  ? 264 PRO A C   1 
ATOM   1863 O  O   . PRO A 1 265 ? 2.41105   -18.44842 36.97581  1.000 16.47736  ? 264 PRO A O   1 
ATOM   1864 C  CB  . PRO A 1 265 ? 3.85369   -16.91869 34.86159  1.000 18.27888  ? 264 PRO A CB  1 
ATOM   1865 C  CG  . PRO A 1 265 ? 3.02171   -16.42295 33.69278  1.000 21.20088  ? 264 PRO A CG  1 
ATOM   1866 C  CD  . PRO A 1 265 ? 3.19385   -17.52325 32.65104  1.000 19.30877  ? 264 PRO A CD  1 
ATOM   1867 N  N   . GLY A 1 266 ? 1.21092   -19.10597 35.19263  1.000 17.34334  ? 265 GLY A N   1 
ATOM   1868 C  CA  . GLY A 1 266 ? -0.04021  -19.13612 35.91242  1.000 16.14514  ? 265 GLY A CA  1 
ATOM   1869 C  C   . GLY A 1 266 ? -0.30173  -20.44663 36.62333  1.000 16.05388  ? 265 GLY A C   1 
ATOM   1870 O  O   . GLY A 1 266 ? 0.53366   -21.35579 36.66167  1.000 16.20630  ? 265 GLY A O   1 
ATOM   1871 N  N   . PRO A 1 267 ? -1.48633  -20.55550 37.21025  1.000 16.89052  ? 266 PRO A N   1 
ATOM   1872 C  CA  . PRO A 1 267 ? -1.87413  -21.80497 37.87047  1.000 20.14998  ? 266 PRO A CA  1 
ATOM   1873 C  C   . PRO A 1 267 ? -1.87865  -22.95271 36.87872  1.000 21.53867  ? 266 PRO A C   1 
ATOM   1874 O  O   . PRO A 1 267 ? -2.32836  -22.81424 35.73804  1.000 18.42481  ? 266 PRO A O   1 
ATOM   1875 C  CB  . PRO A 1 267 ? -3.28200  -21.51260 38.39087  1.000 21.45459  ? 266 PRO A CB  1 
ATOM   1876 C  CG  . PRO A 1 267 ? -3.40647  -20.01379 38.37301  1.000 23.16420  ? 266 PRO A CG  1 
ATOM   1877 C  CD  . PRO A 1 267 ? -2.55262  -19.54810 37.23180  1.000 18.36177  ? 266 PRO A CD  1 
ATOM   1878 N  N   . LYS A 1 268 ? -1.37004  -24.09416 37.31816  1.000 19.99792  ? 267 LYS A N   1 
ATOM   1879 C  CA  . LYS A 1 268 ? -1.20775  -25.21442 36.40884  1.000 21.31919  ? 267 LYS A CA  1 
ATOM   1880 C  C   . LYS A 1 268 ? -2.49583  -26.01339 36.28147  1.000 24.41260  ? 267 LYS A C   1 
ATOM   1881 O  O   . LYS A 1 268 ? -3.34502  -26.03574 37.17776  1.000 21.78813  ? 267 LYS A O   1 
ATOM   1882 C  CB  . LYS A 1 268 ? -0.06556  -26.12654 36.86779  1.000 17.67858  ? 267 LYS A CB  1 
ATOM   1883 C  CG  . LYS A 1 268 ? 1.18315   -25.38648 37.31608  1.000 23.34863  ? 267 LYS A CG  1 
ATOM   1884 C  CD  . LYS A 1 268 ? 1.69567   -24.43770 36.23744  1.000 23.98802  ? 267 LYS A CD  1 
ATOM   1885 C  CE  . LYS A 1 268 ? 2.81257   -23.52085 36.75510  1.000 22.93881  ? 267 LYS A CE  1 
ATOM   1886 N  NZ  . LYS A 1 268 ? 3.06542   -22.38689 35.78942  1.000 17.04517  ? 267 LYS A NZ  1 
ATOM   1887 N  N   . VAL A 1 269 ? -2.64517  -26.66841 35.14673  1.000 21.33461  ? 268 VAL A N   1 
ATOM   1888 C  CA  . VAL A 1 269 ? -3.72926  -27.61683 34.95317  1.000 17.74842  ? 268 VAL A CA  1 
ATOM   1889 C  C   . VAL A 1 269 ? -3.24917  -28.99829 35.38609  1.000 26.42748  ? 268 VAL A C   1 
ATOM   1890 O  O   . VAL A 1 269 ? -2.19880  -29.46878 34.93314  1.000 32.07628  ? 268 VAL A O   1 
ATOM   1891 C  CB  . VAL A 1 269 ? -4.19248  -27.60501 33.49039  1.000 20.55600  ? 268 VAL A CB  1 
ATOM   1892 C  CG1 . VAL A 1 269 ? -5.21507  -28.70292 33.25752  1.000 25.14413  ? 268 VAL A CG1 1 
ATOM   1893 C  CG2 . VAL A 1 269 ? -4.76083  -26.24168 33.17825  1.000 20.72115  ? 268 VAL A CG2 1 
ATOM   1894 N  N   A PHE A 1 270 ? -4.01223  -29.64260 36.26646  0.460 27.83013  ? 269 PHE A N   1 
ATOM   1895 N  N   B PHE A 1 270 ? -4.00682  -29.63747 36.28380  0.540 27.81135  ? 269 PHE A N   1 
ATOM   1896 C  CA  A PHE A 1 270 ? -3.68491  -30.92429 36.87961  0.460 36.67545  ? 269 PHE A CA  1 
ATOM   1897 C  CA  B PHE A 1 270 ? -3.61056  -30.92670 36.83326  0.540 36.69230  ? 269 PHE A CA  1 
ATOM   1898 C  C   A PHE A 1 270 ? -4.59739  -32.01635 36.33940  0.460 37.07032  ? 269 PHE A C   1 
ATOM   1899 C  C   B PHE A 1 270 ? -4.57260  -32.01441 36.37650  0.540 37.07079  ? 269 PHE A C   1 
ATOM   1900 O  O   A PHE A 1 270 ? -5.80025  -31.78438 36.17533  0.460 37.20643  ? 269 PHE A O   1 
ATOM   1901 O  O   B PHE A 1 270 ? -5.78174  -31.77155 36.29012  0.540 37.10960  ? 269 PHE A O   1 
ATOM   1902 C  CB  A PHE A 1 270 ? -3.84463  -30.88670 38.40558  0.460 32.62402  ? 269 PHE A CB  1 
ATOM   1903 C  CB  B PHE A 1 270 ? -3.54879  -30.91224 38.37510  0.540 32.28779  ? 269 PHE A CB  1 
ATOM   1904 C  CG  A PHE A 1 270 ? -2.91176  -29.94219 39.11188  0.460 35.26925  ? 269 PHE A CG  1 
ATOM   1905 C  CG  B PHE A 1 270 ? -4.89246  -30.73317 39.07489  0.540 33.98571  ? 269 PHE A CG  1 
ATOM   1906 C  CD1 A PHE A 1 270 ? -3.08882  -28.57291 39.02571  0.460 31.09951  ? 269 PHE A CD1 1 
ATOM   1907 C  CD1 B PHE A 1 270 ? -5.77602  -31.80051 39.22723  0.540 44.74220  ? 269 PHE A CD1 1 
ATOM   1908 C  CD2 A PHE A 1 270 ? -1.89429  -30.42874 39.91294  0.460 43.53816  ? 269 PHE A CD2 1 
ATOM   1909 C  CD2 B PHE A 1 270 ? -5.24023  -29.51460 39.64126  0.540 43.19449  ? 269 PHE A CD2 1 
ATOM   1910 C  CE1 A PHE A 1 270 ? -2.24883  -27.70697 39.69149  0.460 33.25441  ? 269 PHE A CE1 1 
ATOM   1911 C  CE1 B PHE A 1 270 ? -6.99567  -31.64149 39.88000  0.540 42.52109  ? 269 PHE A CE1 1 
ATOM   1912 C  CE2 A PHE A 1 270 ? -1.05108  -29.56695 40.58772  0.460 45.29334  ? 269 PHE A CE2 1 
ATOM   1913 C  CE2 B PHE A 1 270 ? -6.45821  -29.36027 40.31002  0.540 39.46603  ? 269 PHE A CE2 1 
ATOM   1914 C  CZ  A PHE A 1 270 ? -1.22750  -28.20328 40.47240  0.460 41.87732  ? 269 PHE A CZ  1 
ATOM   1915 C  CZ  B PHE A 1 270 ? -7.33262  -30.42033 40.41883  0.540 37.91458  ? 269 PHE A CZ  1 
ATOM   1916 N  N   . PRO A 1 271 ? -4.06932  -33.22380 36.07613  1.000 38.34957  ? 270 PRO A N   1 
ATOM   1917 C  CA  . PRO A 1 271 ? -4.91267  -34.36099 35.69314  1.000 39.01797  ? 270 PRO A CA  1 
ATOM   1918 C  C   . PRO A 1 271 ? -5.86319  -34.77095 36.81185  0.000 44.33501  ? 270 PRO A C   1 
ATOM   1919 O  O   . PRO A 1 271 ? -5.44357  -35.00276 37.94599  0.000 43.64748  ? 270 PRO A O   1 
ATOM   1920 C  CB  . PRO A 1 271 ? -3.89983  -35.48145 35.42205  1.000 44.31394  ? 270 PRO A CB  1 
ATOM   1921 C  CG  . PRO A 1 271 ? -2.60272  -34.78618 35.19392  1.000 46.00104  ? 270 PRO A CG  1 
ATOM   1922 C  CD  . PRO A 1 271 ? -2.63871  -33.57331 36.06862  1.000 37.43791  ? 270 PRO A CD  1 
ATOM   1923 O  OXT . PRO A 1 271 ? -7.06792  -34.88860 36.60891  1.000 57.29023  ? 270 PRO A OXT 1 
HETATM 1924 C  C   . ACE B 2 1   ? 16.06221  -24.27108 11.66324  1.000 37.55186  ? 0   ACE B C   1 
HETATM 1925 O  O   . ACE B 2 1   ? 16.96651  -25.01995 11.28070  1.000 29.66562  ? 0   ACE B O   1 
HETATM 1926 C  CH3 . ACE B 2 1   ? 16.14060  -22.76599 11.59866  1.000 28.91249  ? 0   ACE B CH3 1 
ATOM   1927 N  N   . TYR B 2 2   ? 14.92877  -24.75363 12.16146  1.000 29.75225  ? 1   TYR B N   1 
ATOM   1928 C  CA  . TYR B 2 2   ? 14.68061  -26.18709 12.29743  1.000 26.72819  ? 1   TYR B CA  1 
ATOM   1929 C  C   . TYR B 2 2   ? 13.17012  -26.37909 12.34441  1.000 26.77734  ? 1   TYR B C   1 
ATOM   1930 O  O   . TYR B 2 2   ? 12.44043  -25.44240 12.68048  1.000 24.46468  ? 1   TYR B O   1 
ATOM   1931 C  CB  . TYR B 2 2   ? 15.37793  -26.76379 13.55311  1.000 32.03491  ? 1   TYR B CB  1 
ATOM   1932 C  CG  . TYR B 2 2   ? 14.97984  -26.09619 14.86105  1.000 28.18546  ? 1   TYR B CG  1 
ATOM   1933 C  CD1 . TYR B 2 2   ? 13.90244  -26.54747 15.58053  1.000 32.40774  ? 1   TYR B CD1 1 
ATOM   1934 C  CD2 . TYR B 2 2   ? 15.69676  -25.01736 15.37574  1.000 39.30099  ? 1   TYR B CD2 1 
ATOM   1935 C  CE1 . TYR B 2 2   ? 13.52406  -25.94425 16.76578  1.000 38.08833  ? 1   TYR B CE1 1 
ATOM   1936 C  CE2 . TYR B 2 2   ? 15.31743  -24.40866 16.58627  1.000 32.11487  ? 1   TYR B CE2 1 
ATOM   1937 C  CZ  . TYR B 2 2   ? 14.22516  -24.88431 17.26522  1.000 43.55036  ? 1   TYR B CZ  1 
ATOM   1938 O  OH  . TYR B 2 2   ? 13.79988  -24.32315 18.45838  1.000 47.68345  ? 1   TYR B OH  1 
ATOM   1939 N  N   . ILE B 2 3   ? 12.68547  -27.56863 11.99938  1.000 24.19171  ? 2   ILE B N   1 
ATOM   1940 C  CA  . ILE B 2 3   ? 11.24935  -27.85232 12.01279  1.000 23.49408  ? 2   ILE B CA  1 
ATOM   1941 C  C   . ILE B 2 3   ? 10.89911  -28.62076 13.27682  1.000 24.81716  ? 2   ILE B C   1 
ATOM   1942 O  O   . ILE B 2 3   ? 11.56990  -29.60004 13.62422  1.000 29.96092  ? 2   ILE B O   1 
ATOM   1943 C  CB  . ILE B 2 3   ? 10.81995  -28.63782 10.76540  1.000 31.21127  ? 2   ILE B CB  1 
ATOM   1944 C  CG1 . ILE B 2 3   ? 11.27901  -27.90474 9.50648   1.000 29.90573  ? 2   ILE B CG1 1 
ATOM   1945 C  CG2 . ILE B 2 3   ? 9.30415   -28.85255 10.77096  1.000 28.22574  ? 2   ILE B CG2 1 
ATOM   1946 C  CD1 . ILE B 2 3   ? 10.49849  -26.65995 9.22996   1.000 29.05788  ? 2   ILE B CD1 1 
ATOM   1947 N  N   . VAL B 2 4   ? 9.87952   -28.14452 13.98922  1.000 23.19424  ? 3   VAL B N   1 
ATOM   1948 C  CA  . VAL B 2 4   ? 9.28590   -28.84995 15.11993  1.000 27.45967  ? 3   VAL B CA  1 
ATOM   1949 C  C   . VAL B 2 4   ? 7.80129   -29.07589 14.87655  1.000 24.28448  ? 3   VAL B C   1 
ATOM   1950 O  O   . VAL B 2 4   ? 7.08485   -28.19199 14.38848  1.000 23.35413  ? 3   VAL B O   1 
ATOM   1951 C  CB  . VAL B 2 4   ? 9.52202   -28.11104 16.45632  1.000 26.88104  ? 3   VAL B CB  1 
ATOM   1952 C  CG1 . VAL B 2 4   ? 10.94142  -27.75453 16.57082  1.000 41.86169  ? 3   VAL B CG1 1 
ATOM   1953 C  CG2 . VAL B 2 4   ? 8.79121   -26.79620 16.44719  1.000 33.72333  ? 3   VAL B CG2 1 
ATOM   1954 N  N   . LYS B 2 5   ? 7.34508   -30.27332 15.21051  1.000 24.81594  ? 4   LYS B N   1 
ATOM   1955 C  CA  A LYS B 2 5   ? 5.93294   -30.61044 15.10736  0.480 25.41055  ? 4   LYS B CA  1 
ATOM   1956 C  CA  B LYS B 2 5   ? 5.93444   -30.62092 15.11254  0.520 25.40467  ? 4   LYS B CA  1 
ATOM   1957 C  C   . LYS B 2 5   ? 5.26990   -30.17645 16.40835  1.000 24.80149  ? 4   LYS B C   1 
ATOM   1958 O  O   . LYS B 2 5   ? 5.55161   -30.73192 17.47201  1.000 34.96103  ? 4   LYS B O   1 
ATOM   1959 C  CB  A LYS B 2 5   ? 5.75201   -32.10188 14.83296  0.480 30.73171  ? 4   LYS B CB  1 
ATOM   1960 C  CB  B LYS B 2 5   ? 5.77315   -32.12074 14.88010  0.520 30.72781  ? 4   LYS B CB  1 
ATOM   1961 C  CG  A LYS B 2 5   ? 6.61223   -32.62321 13.67001  0.480 32.84696  ? 4   LYS B CG  1 
ATOM   1962 C  CG  B LYS B 2 5   ? 6.24426   -32.58386 13.50183  0.520 32.68693  ? 4   LYS B CG  1 
ATOM   1963 C  CD  A LYS B 2 5   ? 5.85486   -32.63407 12.34506  0.480 37.50775  ? 4   LYS B CD  1 
ATOM   1964 C  CD  B LYS B 2 5   ? 5.78849   -34.00305 13.20202  0.520 29.92097  ? 4   LYS B CD  1 
ATOM   1965 C  CE  A LYS B 2 5   ? 6.68441   -33.23333 11.21049  0.480 36.26790  ? 4   LYS B CE  1 
ATOM   1966 C  CE  B LYS B 2 5   ? 6.27222   -34.97964 14.25905  0.520 43.20098  ? 4   LYS B CE  1 
ATOM   1967 N  NZ  A LYS B 2 5   ? 6.69374   -32.36407 9.98301   0.480 31.38284  ? 4   LYS B NZ  1 
ATOM   1968 N  NZ  B LYS B 2 5   ? 7.68923   -35.38962 14.05164  0.520 42.42990  ? 4   LYS B NZ  1 
ATOM   1969 N  N   . THR B 2 6   ? 4.42079   -29.15634 16.33276  1.000 21.17051  ? 5   THR B N   1 
ATOM   1970 C  CA  . THR B 2 6   ? 3.80356   -28.57645 17.52242  1.000 24.67618  ? 5   THR B CA  1 
ATOM   1971 C  C   . THR B 2 6   ? 2.30414   -28.82678 17.51484  1.000 21.57176  ? 5   THR B C   1 
ATOM   1972 O  O   . THR B 2 6   ? 1.69277   -28.98598 16.45754  1.000 22.35772  ? 5   THR B O   1 
ATOM   1973 C  CB  . THR B 2 6   ? 4.03239   -27.05983 17.61785  1.000 19.54050  ? 5   THR B CB  1 
ATOM   1974 O  OG1 . THR B 2 6   ? 3.35411   -26.41824 16.53317  1.000 21.09216  ? 5   THR B OG1 1 
ATOM   1975 C  CG2 . THR B 2 6   ? 5.50848   -26.72382 17.56052  1.000 25.52201  ? 5   THR B CG2 1 
ATOM   1976 N  N   . PHE B 2 7   ? 1.71706   -28.84242 18.71348  1.000 21.03436  ? 6   PHE B N   1 
ATOM   1977 C  CA  . PHE B 2 7   ? 0.26734   -28.96136 18.82685  1.000 22.84802  ? 6   PHE B CA  1 
ATOM   1978 C  C   . PHE B 2 7   ? -0.43977  -27.69000 18.39401  1.000 19.49598  ? 6   PHE B C   1 
ATOM   1979 O  O   . PHE B 2 7   ? -1.62135  -27.73547 18.01720  1.000 21.66316  ? 6   PHE B O   1 
ATOM   1980 C  CB  . PHE B 2 7   ? -0.14261  -29.24459 20.27770  1.000 21.75216  ? 6   PHE B CB  1 
ATOM   1981 C  CG  . PHE B 2 7   ? 0.45245   -30.48099 20.84901  1.000 24.52972  ? 6   PHE B CG  1 
ATOM   1982 C  CD1 . PHE B 2 7   ? 0.14485   -31.71715 20.30612  1.000 25.14381  ? 6   PHE B CD1 1 
ATOM   1983 C  CD2 . PHE B 2 7   ? 1.29086   -30.41708 21.96052  1.000 25.16188  ? 6   PHE B CD2 1 
ATOM   1984 C  CE1 . PHE B 2 7   ? 0.67674   -32.89358 20.84171  1.000 32.97992  ? 6   PHE B CE1 1 
ATOM   1985 C  CE2 . PHE B 2 7   ? 1.82280   -31.58256 22.50287  1.000 29.55066  ? 6   PHE B CE2 1 
ATOM   1986 C  CZ  . PHE B 2 7   ? 1.51647   -32.82171 21.94049  1.000 33.03288  ? 6   PHE B CZ  1 
ATOM   1987 N  N   . TRP B 2 8   ? 0.24999   -26.55192 18.49087  1.000 18.31334  ? 7   TRP B N   1 
ATOM   1988 C  CA  A TRP B 2 8   ? -0.39020  -25.25143 18.37915  0.510 19.12394  ? 7   TRP B CA  1 
ATOM   1989 C  CA  B TRP B 2 8   ? -0.36113  -25.23326 18.39215  0.490 19.15194  ? 7   TRP B CA  1 
ATOM   1990 C  C   . TRP B 2 8   ? -0.13512  -24.55585 17.05141  1.000 18.51196  ? 7   TRP B C   1 
ATOM   1991 O  O   . TRP B 2 8   ? -0.90489  -23.65685 16.69053  1.000 22.27997  ? 7   TRP B O   1 
ATOM   1992 C  CB  A TRP B 2 8   ? 0.07321   -24.34621 19.52843  0.510 21.47964  ? 7   TRP B CB  1 
ATOM   1993 C  CB  B TRP B 2 8   ? 0.17687   -24.32304 19.50869  0.490 21.48065  ? 7   TRP B CB  1 
ATOM   1994 C  CG  A TRP B 2 8   ? 1.53925   -24.46137 19.83394  0.510 19.40486  ? 7   TRP B CG  1 
ATOM   1995 C  CG  B TRP B 2 8   ? 1.64293   -24.53170 19.82249  0.490 19.44738  ? 7   TRP B CG  1 
ATOM   1996 C  CD1 A TRP B 2 8   ? 2.55600   -23.73788 19.27080  0.510 21.25354  ? 7   TRP B CD1 1 
ATOM   1997 C  CD1 B TRP B 2 8   ? 2.17009   -25.45678 20.67547  0.490 21.40325  ? 7   TRP B CD1 1 
ATOM   1998 C  CD2 A TRP B 2 8   ? 2.15459   -25.34360 20.78182  0.510 21.33576  ? 7   TRP B CD2 1 
ATOM   1999 C  CD2 B TRP B 2 8   ? 2.76041   -23.78181 19.30777  0.490 21.10627  ? 7   TRP B CD2 1 
ATOM   2000 N  NE1 A TRP B 2 8   ? 3.76002   -24.11946 19.80708  0.510 22.85810  ? 7   TRP B NE1 1 
ATOM   2001 N  NE1 B TRP B 2 8   ? 3.53913   -25.34407 20.70918  0.490 21.27165  ? 7   TRP B NE1 1 
ATOM   2002 C  CE2 A TRP B 2 8   ? 3.54208   -25.10164 20.73787  0.510 21.17769  ? 7   TRP B CE2 1 
ATOM   2003 C  CE2 B TRP B 2 8   ? 3.92671   -24.32316 19.88219  0.490 22.94447  ? 7   TRP B CE2 1 
ATOM   2004 C  CE3 A TRP B 2 8   ? 1.66748   -26.30909 21.66744  0.510 18.84526  ? 7   TRP B CE3 1 
ATOM   2005 C  CE3 B TRP B 2 8   ? 2.88556   -22.72038 18.40997  0.490 17.69421  ? 7   TRP B CE3 1 
ATOM   2006 C  CZ2 A TRP B 2 8   ? 4.44850   -25.79304 21.54806  0.510 23.80960  ? 7   TRP B CZ2 1 
ATOM   2007 C  CZ2 B TRP B 2 8   ? 5.20384   -23.82838 19.59828  0.490 23.12680  ? 7   TRP B CZ2 1 
ATOM   2008 C  CZ3 A TRP B 2 8   ? 2.56863   -26.99355 22.47066  0.510 24.46213  ? 7   TRP B CZ3 1 
ATOM   2009 C  CZ3 B TRP B 2 8   ? 4.16200   -22.23633 18.11481  0.490 22.98392  ? 7   TRP B CZ3 1 
ATOM   2010 C  CH2 A TRP B 2 8   ? 3.94115   -26.72551 22.40992  0.510 23.73748  ? 7   TRP B CH2 1 
ATOM   2011 C  CH2 B TRP B 2 8   ? 5.29935   -22.78765 18.71503  0.490 27.76598  ? 7   TRP B CH2 1 
ATOM   2012 N  N   . LEU B 2 9   ? 0.90834   -24.94397 16.31635  1.000 20.26594  ? 8   LEU B N   1 
ATOM   2013 C  CA  . LEU B 2 9   ? 1.10965   -24.38687 14.98524  1.000 24.69657  ? 8   LEU B CA  1 
ATOM   2014 C  C   . LEU B 2 9   ? 1.54795   -25.45951 14.00001  1.000 18.53045  ? 8   LEU B C   1 
ATOM   2015 O  O   . LEU B 2 9   ? 2.13977   -25.12324 12.96593  1.000 20.65240  ? 8   LEU B O   1 
ATOM   2016 C  CB  . LEU B 2 9   ? 2.14364   -23.23860 14.98098  1.000 25.02829  ? 8   LEU B CB  1 
ATOM   2017 C  CG  . LEU B 2 9   ? 1.58784   -21.83640 15.28873  1.000 30.43512  ? 8   LEU B CG  1 
ATOM   2018 C  CD1 . LEU B 2 9   ? 2.68801   -20.78507 15.25357  1.000 31.40131  ? 8   LEU B CD1 1 
ATOM   2019 C  CD2 . LEU B 2 9   ? 0.44011   -21.43209 14.37160  1.000 33.25861  ? 8   LEU B CD2 1 
ATOM   2020 N  N   . GLY B 2 10  ? 1.27011   -26.73424 14.28798  1.000 17.59802  ? 9   GLY B N   1 
ATOM   2021 C  CA  . GLY B 2 10  ? 1.63422   -27.75861 13.30984  1.000 20.70153  ? 9   GLY B CA  1 
ATOM   2022 C  C   . GLY B 2 10  ? 3.13286   -27.81212 13.06743  1.000 20.49392  ? 9   GLY B C   1 
ATOM   2023 O  O   . GLY B 2 10  ? 3.94260   -27.53575 13.95599  1.000 20.38777  ? 9   GLY B O   1 
ATOM   2024 N  N   . SER B 2 11  ? 3.51342   -28.17327 11.83458  1.000 19.54881  ? 10  SER B N   1 
ATOM   2025 C  CA  . SER B 2 11  ? 4.92774   -28.25463 11.45685  1.000 25.73759  ? 10  SER B CA  1 
ATOM   2026 C  C   . SER B 2 11  ? 5.50306   -26.84467 11.38342  1.000 29.38220  ? 10  SER B C   1 
ATOM   2027 O  O   . SER B 2 11  ? 5.28941   -26.11585 10.41211  1.000 25.52190  ? 10  SER B O   1 
ATOM   2028 C  CB  . SER B 2 11  ? 5.07985   -28.97145 10.11610  1.000 25.15853  ? 10  SER B CB  1 
ATOM   2029 O  OG  . SER B 2 11  ? 4.72639   -30.33276 10.23326  1.000 30.73319  ? 10  SER B OG  1 
ATOM   2030 N  N   . HIS B 2 12  ? 6.24508   -26.43683 12.40132  1.000 18.02799  ? 11  HIS B N   1 
ATOM   2031 C  CA  . HIS B 2 12  ? 6.61906   -25.04156 12.54406  1.000 18.64687  ? 11  HIS B CA  1 
ATOM   2032 C  C   . HIS B 2 12  ? 8.12466   -24.86972 12.39163  1.000 20.39113  ? 11  HIS B C   1 
ATOM   2033 O  O   . HIS B 2 12  ? 8.89434   -25.59082 13.02623  1.000 20.58345  ? 11  HIS B O   1 
ATOM   2034 C  CB  . HIS B 2 12  ? 6.17996   -24.51965 13.90978  1.000 17.91340  ? 11  HIS B CB  1 
ATOM   2035 C  CG  . HIS B 2 12  ? 6.35641   -23.04816 14.06267  1.000 15.67520  ? 11  HIS B CG  1 
ATOM   2036 N  ND1 . HIS B 2 12  ? 5.64067   -22.13421 13.31998  1.000 15.75193  ? 11  HIS B ND1 1 
ATOM   2037 C  CD2 . HIS B 2 12  ? 7.18271   -22.32644 14.85661  1.000 16.58287  ? 11  HIS B CD2 1 
ATOM   2038 C  CE1 . HIS B 2 12  ? 6.00705   -20.91208 13.65979  1.000 17.82581  ? 11  HIS B CE1 1 
ATOM   2039 N  NE2 . HIS B 2 12  ? 6.93825   -21.00228 14.59486  1.000 17.14477  ? 11  HIS B NE2 1 
ATOM   2040 N  N   . ARG B 2 13  ? 8.54424   -23.91132 11.56842  1.000 18.58719  ? 12  ARG B N   1 
ATOM   2041 C  CA  . ARG B 2 13  ? 9.96435   -23.57526 11.46053  1.000 20.22915  ? 12  ARG B CA  1 
ATOM   2042 C  C   . ARG B 2 13  ? 10.32036  -22.61272 12.58826  1.000 17.36680  ? 12  ARG B C   1 
ATOM   2043 O  O   . ARG B 2 13  ? 9.96616   -21.43000 12.55714  1.000 18.60267  ? 12  ARG B O   1 
ATOM   2044 C  CB  . ARG B 2 13  ? 10.26676  -22.96441 10.09960  1.000 18.88981  ? 12  ARG B CB  1 
ATOM   2045 C  CG  . ARG B 2 13  ? 11.75568  -22.76249 9.87184   1.000 22.14527  ? 12  ARG B CG  1 
ATOM   2046 C  CD  . ARG B 2 13  ? 11.98916  -21.70648 8.80713   1.000 21.31409  ? 12  ARG B CD  1 
ATOM   2047 N  NE  . ARG B 2 13  ? 11.81271  -20.37164 9.35288   1.000 20.93039  ? 12  ARG B NE  1 
ATOM   2048 C  CZ  . ARG B 2 13  ? 10.91006  -19.49344 8.93003   1.000 25.20559  ? 12  ARG B CZ  1 
ATOM   2049 N  NH1 . ARG B 2 13  ? 10.11680  -19.75290 7.89970   1.000 23.74217  ? 12  ARG B NH1 1 
ATOM   2050 N  NH2 . ARG B 2 13  ? 10.78121  -18.33787 9.57454   1.000 23.14511  ? 12  ARG B NH2 1 
ATOM   2051 N  N   . GLN B 2 14  ? 11.01772  -23.11048 13.60526  1.000 19.25637  ? 13  GLN B N   1 
ATOM   2052 C  CA  . GLN B 2 14  ? 11.18327  -22.34028 14.83974  1.000 22.15000  ? 13  GLN B CA  1 
ATOM   2053 C  C   . GLN B 2 14  ? 12.50357  -21.57809 14.82661  1.000 23.65259  ? 13  GLN B C   1 
ATOM   2054 O  O   . GLN B 2 14  ? 13.37360  -21.72132 15.69710  1.000 27.22281  ? 13  GLN B O   1 
ATOM   2055 C  CB  . GLN B 2 14  ? 11.07129  -23.25635 16.05384  1.000 26.67213  ? 13  GLN B CB  1 
ATOM   2056 C  CG  . GLN B 2 14  ? 10.77319  -22.49647 17.32903  1.000 28.72941  ? 13  GLN B CG  1 
ATOM   2057 C  CD  . GLN B 2 14  ? 10.27620  -23.39780 18.43486  1.000 32.98605  ? 13  GLN B CD  1 
ATOM   2058 O  OE1 . GLN B 2 14  ? 9.15341   -23.24550 18.91460  1.000 32.61114  ? 13  GLN B OE1 1 
ATOM   2059 N  NE2 . GLN B 2 14  ? 11.11100  -24.33334 18.85460  1.000 35.10571  ? 13  GLN B NE2 1 
ATOM   2060 N  N   . CYS B 2 15  ? 12.62486  -20.73464 13.81010  1.000 23.44935  ? 14  CYS B N   1 
ATOM   2061 C  CA  . CYS B 2 15  ? 13.81325  -19.92455 13.59994  1.000 25.91631  ? 14  CYS B CA  1 
ATOM   2062 C  C   . CYS B 2 15  ? 13.55615  -18.90784 12.49354  1.000 29.29971  ? 14  CYS B C   1 
ATOM   2063 O  O   . CYS B 2 15  ? 12.63715  -19.07341 11.69029  1.000 24.05513  ? 14  CYS B O   1 
ATOM   2064 C  CB  . CYS B 2 15  ? 15.01102  -20.80878 13.23209  1.000 31.54304  ? 14  CYS B CB  1 
ATOM   2065 S  SG  . CYS B 2 15  ? 14.66840  -21.79769 11.75466  1.000 30.14016  ? 14  CYS B SG  1 
HETATM 2066 N  N   . NH2 B 2 16  ? 14.46984  -17.80948 12.47228  1.000 27.50642  ? 15  NH2 B N   1 
HETATM 2067 C  C   A TRS C 3 .   ? -3.74076  -20.59797 16.45199  0.400 21.66696  ? 301 TRS A C   1 
HETATM 2068 C  C   B TRS C 3 .   ? -3.08815  -19.33697 16.49521  0.280 18.19544  ? 301 TRS A C   1 
HETATM 2069 C  C   C TRS C 3 .   ? -3.78104  -20.82328 16.27163  0.320 21.49415  ? 301 TRS A C   1 
HETATM 2070 C  C1  A TRS C 3 .   ? -2.92202  -19.53031 15.72518  0.400 21.51810  ? 301 TRS A C1  1 
HETATM 2071 C  C1  B TRS C 3 .   ? -1.94716  -18.38020 16.77185  0.280 14.36424  ? 301 TRS A C1  1 
HETATM 2072 C  C1  C TRS C 3 .   ? -5.15365  -20.19885 16.45139  0.320 17.52972  ? 301 TRS A C1  1 
HETATM 2073 C  C2  A TRS C 3 .   ? -3.99001  -21.86296 15.63597  0.400 20.70126  ? 301 TRS A C2  1 
HETATM 2074 C  C2  B TRS C 3 .   ? -4.08864  -19.28583 17.63036  0.280 18.28040  ? 301 TRS A C2  1 
HETATM 2075 C  C2  C TRS C 3 .   ? -3.70710  -22.09366 17.09138  0.320 23.06520  ? 301 TRS A C2  1 
HETATM 2076 C  C3  A TRS C 3 .   ? -5.08384  -20.05560 16.91147  0.400 20.50637  ? 301 TRS A C3  1 
HETATM 2077 C  C3  B TRS C 3 .   ? -2.53916  -20.75731 16.31409  0.280 17.77648  ? 301 TRS A C3  1 
HETATM 2078 C  C3  C TRS C 3 .   ? -2.71830  -19.82837 16.73115  0.320 18.92842  ? 301 TRS A C3  1 
HETATM 2079 N  N   A TRS C 3 .   ? -2.94701  -20.96684 17.61431  0.400 18.07593  ? 301 TRS A N   1 
HETATM 2080 N  N   B TRS C 3 .   ? -3.76882  -18.86266 15.29216  0.280 14.63369  ? 301 TRS A N   1 
HETATM 2081 N  N   C TRS C 3 .   ? -3.57180  -21.18762 14.86643  0.320 18.21625  ? 301 TRS A N   1 
HETATM 2082 O  O1  A TRS C 3 .   ? -3.76123  -18.48334 15.31180  0.400 13.80512  ? 301 TRS A O1  1 
HETATM 2083 O  O1  B TRS C 3 .   ? -0.86372  -18.81776 15.98950  0.280 26.03795  ? 301 TRS A O1  1 
HETATM 2084 O  O1  C TRS C 3 .   ? -6.13109  -21.04902 15.91308  0.320 18.32784  ? 301 TRS A O1  1 
HETATM 2085 O  O2  A TRS C 3 .   ? -3.27068  -21.82565 14.43129  0.400 19.88152  ? 301 TRS A O2  1 
HETATM 2086 O  O2  B TRS C 3 .   ? -4.98881  -18.24659 17.33280  0.280 20.18344  ? 301 TRS A O2  1 
HETATM 2087 O  O2  C TRS C 3 .   ? -2.36059  -22.35843 17.39687  0.320 25.70232  ? 301 TRS A O2  1 
HETATM 2088 O  O3  A TRS C 3 .   ? -6.03856  -20.22381 15.88874  0.400 14.78815  ? 301 TRS A O3  1 
HETATM 2089 O  O3  B TRS C 3 .   ? -3.26653  -21.46421 15.33041  0.280 20.11134  ? 301 TRS A O3  1 
HETATM 2090 O  O3  C TRS C 3 .   ? -3.21085  -18.52073 16.54837  0.320 15.65770  ? 301 TRS A O3  1 
HETATM 2091 C  C1  . GOL D 4 .   ? 4.36959   -13.38652 38.39638  1.000 59.65972  ? 302 GOL A C1  1 
HETATM 2092 O  O1  . GOL D 4 .   ? 4.22298   -13.64671 37.01413  1.000 44.05912  ? 302 GOL A O1  1 
HETATM 2093 C  C2  . GOL D 4 .   ? 4.81695   -14.71154 39.10678  1.000 57.44447  ? 302 GOL A C2  1 
HETATM 2094 O  O2  . GOL D 4 .   ? 5.72611   -14.48191 40.13683  1.000 49.78436  ? 302 GOL A O2  1 
HETATM 2095 C  C3  . GOL D 4 .   ? 3.52050   -15.37060 39.61775  1.000 41.02763  ? 302 GOL A C3  1 
HETATM 2096 O  O3  . GOL D 4 .   ? 3.54565   -16.69046 39.14895  1.000 45.17649  ? 302 GOL A O3  1 
HETATM 2097 C  C1  . GOL E 4 .   ? -15.75774 -13.56553 13.95364  1.000 45.95698  ? 303 GOL A C1  1 
HETATM 2098 O  O1  . GOL E 4 .   ? -16.53659 -13.23336 12.82785  1.000 53.88766  ? 303 GOL A O1  1 
HETATM 2099 C  C2  . GOL E 4 .   ? -16.13628 -15.02531 14.31741  1.000 52.43635  ? 303 GOL A C2  1 
HETATM 2100 O  O2  . GOL E 4 .   ? -15.57038 -15.93286 13.42997  1.000 50.12645  ? 303 GOL A O2  1 
HETATM 2101 C  C3  . GOL E 4 .   ? -15.62334 -15.22771 15.76315  1.000 43.34330  ? 303 GOL A C3  1 
HETATM 2102 O  O3  . GOL E 4 .   ? -16.56133 -16.03079 16.45632  1.000 35.32663  ? 303 GOL A O3  1 
HETATM 2103 C  C1  . GOL F 4 .   ? 5.52171   -11.74426 11.59582  1.000 30.64115  ? 304 GOL A C1  1 
HETATM 2104 O  O1  . GOL F 4 .   ? 5.09121   -11.62992 12.93140  1.000 33.15002  ? 304 GOL A O1  1 
HETATM 2105 C  C2  . GOL F 4 .   ? 5.80554   -10.30175 11.11692  1.000 40.01423  ? 304 GOL A C2  1 
HETATM 2106 O  O2  . GOL F 4 .   ? 4.69121   -9.49273  11.27095  1.000 44.37518  ? 304 GOL A O2  1 
HETATM 2107 C  C3  . GOL F 4 .   ? 6.98744   -9.82086  11.99681  1.000 44.59784  ? 304 GOL A C3  1 
HETATM 2108 O  O3  . GOL F 4 .   ? 7.18553   -8.46595  11.71615  1.000 58.65353  ? 304 GOL A O3  1 
HETATM 2109 S  S   . SCN G 5 .   ? -26.86465 -23.63880 26.03908  1.000 64.62920  ? 305 SCN A S   1 
HETATM 2110 C  C   . SCN G 5 .   ? -26.39089 -22.91604 27.61334  1.000 34.00990  ? 305 SCN A C   1 
HETATM 2111 N  N   . SCN G 5 .   ? -26.07749 -22.43238 28.64102  1.000 44.65296  ? 305 SCN A N   1 
HETATM 2112 S  S   . SCN H 5 .   ? 15.97579  -4.04768  22.66238  1.000 96.25114  ? 306 SCN A S   1 
HETATM 2113 C  C   . SCN H 5 .   ? 16.42103  -3.52407  20.99822  1.000 58.43964  ? 306 SCN A C   1 
HETATM 2114 N  N   . SCN H 5 .   ? 16.67331  -3.19113  19.89013  1.000 49.47073  ? 306 SCN A N   1 
HETATM 2115 S  S   . SCN I 5 .   ? -14.88786 -26.66985 -2.16305  1.000 89.28304  ? 307 SCN A S   1 
HETATM 2116 C  C   . SCN I 5 .   ? -16.16050 -26.51498 -3.42962  1.000 75.38922  ? 307 SCN A C   1 
HETATM 2117 N  N   . SCN I 5 .   ? -16.99259 -26.40034 -4.25934  1.000 77.14996  ? 307 SCN A N   1 
HETATM 2118 S  S   . SCN J 5 .   ? -0.55312  -12.34578 -11.89789 1.000 25.80011  ? 308 SCN A S   1 
HETATM 2119 C  C   . SCN J 5 .   ? 0.24849   -11.87271 -13.43647 1.000 23.59776  ? 308 SCN A C   1 
HETATM 2120 N  N   . SCN J 5 .   ? 0.83896   -11.57769 -14.39315 1.000 31.34142  ? 308 SCN A N   1 
HETATM 2121 S  S   . SCN K 5 .   ? -5.27962  -24.94693 39.36529  1.000 58.91573  ? 309 SCN A S   1 
HETATM 2122 C  C   . SCN K 5 .   ? -6.56605  -25.58112 40.47479  1.000 50.64491  ? 309 SCN A C   1 
HETATM 2123 N  N   . SCN K 5 .   ? -7.41124  -25.96844 41.20705  1.000 60.34846  ? 309 SCN A N   1 
HETATM 2124 S  S   . SCN L 5 .   ? -19.64050 -30.88823 5.67369   1.000 80.74104  ? 310 SCN A S   1 
HETATM 2125 C  C   . SCN L 5 .   ? -20.85324 -29.84293 6.50987   1.000 59.78129  ? 310 SCN A C   1 
HETATM 2126 N  N   . SCN L 5 .   ? -21.64683 -29.15833 7.06151   1.000 52.64769  ? 310 SCN A N   1 
HETATM 2127 S  S   . SCN M 5 .   ? -11.75405 -23.20255 4.49584   1.000 59.12772  ? 311 SCN A S   1 
HETATM 2128 C  C   . SCN M 5 .   ? -13.20502 -24.24995 4.75319   1.000 58.49583  ? 311 SCN A C   1 
HETATM 2129 N  N   . SCN M 5 .   ? -14.15308 -24.93751 4.92343   1.000 61.57201  ? 311 SCN A N   1 
HETATM 2130 S  S   . SCN N 5 .   ? -1.58004  -42.14343 11.74245  1.000 115.74163 ? 312 SCN A S   1 
HETATM 2131 C  C   . SCN N 5 .   ? -0.44015  -42.14534 10.34593  1.000 83.06049  ? 312 SCN A C   1 
HETATM 2132 N  N   . SCN N 5 .   ? 0.30849   -42.12635 9.43052   1.000 72.46376  ? 312 SCN A N   1 
HETATM 2133 S  S   . SCN O 5 .   ? 4.90380   -13.08562 -6.40030  1.000 72.91705  ? 313 SCN A S   1 
HETATM 2134 C  C   . SCN O 5 .   ? 6.48858   -13.92119 -6.62464  1.000 63.87823  ? 313 SCN A C   1 
HETATM 2135 N  N   . SCN O 5 .   ? 7.51444   -14.48892 -6.77608  1.000 60.90882  ? 313 SCN A N   1 
HETATM 2136 CO CO  . CO  P 6 .   ? -4.94464  -20.01999 14.19341  1.000 17.25661  ? 314 CO  A CO  1 
HETATM 2137 S  S   . SCN Q 5 .   ? 15.22548  -23.31515 7.94557   1.000 61.39772  ? 101 SCN B S   1 
HETATM 2138 C  C   . SCN Q 5 .   ? 14.56141  -24.95642 8.24316   1.000 35.63578  ? 101 SCN B C   1 
HETATM 2139 N  N   . SCN Q 5 .   ? 14.11740  -26.02536 8.45606   1.000 43.92810  ? 101 SCN B N   1 
HETATM 2140 O  O   . HOH R 7 .   ? -0.77420  -13.09150 6.26248   1.000 32.38825  ? 401 HOH A O   1 
HETATM 2141 O  O   . HOH R 7 .   ? -7.75366  -11.90542 -3.92119  1.000 43.92714  ? 402 HOH A O   1 
HETATM 2142 O  O   . HOH R 7 .   ? 4.55968   -12.93222 -13.20787 1.000 41.94740  ? 403 HOH A O   1 
HETATM 2143 O  O   . HOH R 7 .   ? 1.82171   -25.50206 2.79904   1.000 44.07398  ? 404 HOH A O   1 
HETATM 2144 O  O   . HOH R 7 .   ? -14.46069 -24.05147 42.14332  1.000 52.68620  ? 405 HOH A O   1 
HETATM 2145 O  O   . HOH R 7 .   ? -18.63257 -34.88098 26.94401  1.000 49.95702  ? 406 HOH A O   1 
HETATM 2146 O  O   . HOH R 7 .   ? -8.40778  -8.30608  -2.09526  1.000 52.76575  ? 407 HOH A O   1 
HETATM 2147 O  O   . HOH R 7 .   ? -1.42897  -25.09060 -17.35749 1.000 47.63131  ? 408 HOH A O   1 
HETATM 2148 O  O   . HOH R 7 .   ? -13.29241 -16.58321 14.22611  1.000 35.58446  ? 409 HOH A O   1 
HETATM 2149 O  O   . HOH R 7 .   ? 9.31847   -2.90436  18.98422  1.000 42.56152  ? 410 HOH A O   1 
HETATM 2150 O  O   . HOH R 7 .   ? -7.40208  -25.94441 4.56448   1.000 39.19446  ? 411 HOH A O   1 
HETATM 2151 O  O   . HOH R 7 .   ? -10.72741 -22.94681 -3.06910  1.000 45.30284  ? 412 HOH A O   1 
HETATM 2152 O  O   . HOH R 7 .   ? 2.73989   -31.22358 26.10965  1.000 48.89118  ? 413 HOH A O   1 
HETATM 2153 O  O   . HOH R 7 .   ? -5.39175  -11.02341 5.86276   1.000 43.69704  ? 414 HOH A O   1 
HETATM 2154 O  O   . HOH R 7 .   ? -4.72916  -41.75367 22.72784  1.000 41.05386  ? 415 HOH A O   1 
HETATM 2155 O  O   . HOH R 7 .   ? -11.43823 -33.29743 24.32568  1.000 44.34186  ? 416 HOH A O   1 
HETATM 2156 O  O   . HOH R 7 .   ? -5.94187  -9.54148  10.39132  1.000 23.99615  ? 417 HOH A O   1 
HETATM 2157 O  O   . HOH R 7 .   ? 0.26706   -16.36012 5.52455   1.000 26.24386  ? 418 HOH A O   1 
HETATM 2158 O  O   . HOH R 7 .   ? -27.01118 -31.35358 22.22065  1.000 42.12553  ? 419 HOH A O   1 
HETATM 2159 O  O   . HOH R 7 .   ? -2.29592  -9.31855  34.57688  1.000 39.10273  ? 420 HOH A O   1 
HETATM 2160 O  O   . HOH R 7 .   ? -20.32575 -15.76179 20.93209  1.000 51.95294  ? 421 HOH A O   1 
HETATM 2161 O  O   . HOH R 7 .   ? -13.11649 -10.77669 12.26538  1.000 26.20460  ? 422 HOH A O   1 
HETATM 2162 O  O   . HOH R 7 .   ? -3.03496  -30.89380 6.76196   1.000 34.39111  ? 423 HOH A O   1 
HETATM 2163 O  O   . HOH R 7 .   ? 3.32996   -20.51188 -2.99516  1.000 42.06335  ? 424 HOH A O   1 
HETATM 2164 O  O   . HOH R 7 .   ? 5.25708   -12.23556 8.51810   1.000 38.36362  ? 425 HOH A O   1 
HETATM 2165 O  O   . HOH R 7 .   ? 0.61318   -11.25571 -5.67536  1.000 36.81638  ? 426 HOH A O   1 
HETATM 2166 O  O   . HOH R 7 .   ? -9.73389  -25.06063 5.68535   1.000 36.49977  ? 427 HOH A O   1 
HETATM 2167 O  O   . HOH R 7 .   ? -5.14441  -9.78018  -18.63831 1.000 45.13532  ? 428 HOH A O   1 
HETATM 2168 O  O   . HOH R 7 .   ? -8.23356  -32.59775 37.16462  1.000 50.31702  ? 429 HOH A O   1 
HETATM 2169 O  O   . HOH R 7 .   ? 1.30465   -24.76780 -9.20313  1.000 38.54876  ? 430 HOH A O   1 
HETATM 2170 O  O   D HOH R 7 .   ? -5.44355  -21.35934 17.89145  0.500 21.10636  ? 431 HOH A O   1 
HETATM 2171 O  O   E HOH R 7 .   ? -5.82875  -20.60372 15.99599  0.160 16.55916  ? 431 HOH A O   1 
HETATM 2172 O  O   F HOH R 7 .   ? -3.73355  -18.66992 16.65728  0.160 15.81378  ? 431 HOH A O   1 
HETATM 2173 O  O   G HOH R 7 .   ? -3.81044  -21.46990 14.53166  0.160 18.08742  ? 431 HOH A O   1 
HETATM 2174 O  O   . HOH R 7 .   ? -16.87796 -21.79594 4.39012   1.000 37.42898  ? 432 HOH A O   1 
HETATM 2175 O  O   . HOH R 7 .   ? -0.18242  -3.78585  25.15053  1.000 31.44028  ? 433 HOH A O   1 
HETATM 2176 O  O   . HOH R 7 .   ? -8.62188  -1.12545  20.89137  1.000 33.10662  ? 434 HOH A O   1 
HETATM 2177 O  O   . HOH R 7 .   ? 11.51606  -17.70681 24.98011  1.000 42.53701  ? 435 HOH A O   1 
HETATM 2178 O  O   . HOH R 7 .   ? 13.72864  -8.45469  13.73354  1.000 35.40227  ? 436 HOH A O   1 
HETATM 2179 O  O   . HOH R 7 .   ? 11.44762  -4.01889  14.52527  1.000 41.19809  ? 437 HOH A O   1 
HETATM 2180 O  O   . HOH R 7 .   ? 0.19490   -30.91680 28.52268  1.000 26.74462  ? 438 HOH A O   1 
HETATM 2181 O  O   . HOH R 7 .   ? -4.86815  -37.12119 15.28766  1.000 51.58509  ? 439 HOH A O   1 
HETATM 2182 O  O   . HOH R 7 .   ? -7.45625  0.75306   16.50911  1.000 54.47247  ? 440 HOH A O   1 
HETATM 2183 O  O   . HOH R 7 .   ? 4.74986   -18.28758 -3.18003  1.000 52.62259  ? 441 HOH A O   1 
HETATM 2184 O  O   . HOH R 7 .   ? 7.49519   -16.41122 30.59914  1.000 20.66950  ? 442 HOH A O   1 
HETATM 2185 O  O   . HOH R 7 .   ? -19.43490 -33.76174 18.64724  1.000 59.41179  ? 443 HOH A O   1 
HETATM 2186 O  O   . HOH R 7 .   ? 13.04640  -11.00937 14.46075  1.000 28.08022  ? 444 HOH A O   1 
HETATM 2187 O  O   . HOH R 7 .   ? 2.89619   -9.42196  23.95601  1.000 19.48949  ? 445 HOH A O   1 
HETATM 2188 O  O   . HOH R 7 .   ? 9.71305   -13.98510 28.36635  1.000 46.33101  ? 446 HOH A O   1 
HETATM 2189 O  O   . HOH R 7 .   ? -20.17024 -28.63274 32.35501  1.000 35.97947  ? 447 HOH A O   1 
HETATM 2190 O  O   . HOH R 7 .   ? -9.29160  -16.68707 38.57561  1.000 47.77988  ? 448 HOH A O   1 
HETATM 2191 O  O   . HOH R 7 .   ? 8.23485   -5.86227  17.36658  1.000 38.76067  ? 449 HOH A O   1 
HETATM 2192 O  O   . HOH R 7 .   ? -7.52414  -6.03779  25.69215  1.000 28.68339  ? 450 HOH A O   1 
HETATM 2193 O  O   . HOH R 7 .   ? 12.50189  -20.18648 4.70481   1.000 54.79811  ? 451 HOH A O   1 
HETATM 2194 O  O   . HOH R 7 .   ? -2.27218  -3.84739  21.35757  1.000 24.81329  ? 452 HOH A O   1 
HETATM 2195 O  O   . HOH R 7 .   ? -13.41741 -4.21935  22.31807  1.000 36.61756  ? 453 HOH A O   1 
HETATM 2196 O  O   . HOH R 7 .   ? -18.03066 -29.18987 12.41043  1.000 52.94786  ? 454 HOH A O   1 
HETATM 2197 O  O   . HOH R 7 .   ? -5.59155  -21.21014 -10.38652 1.000 31.40966  ? 455 HOH A O   1 
HETATM 2198 O  O   . HOH R 7 .   ? 2.17700   -23.43744 4.31853   1.000 26.02072  ? 456 HOH A O   1 
HETATM 2199 O  O   . HOH R 7 .   ? -17.16151 -19.05381 13.22698  1.000 41.37523  ? 457 HOH A O   1 
HETATM 2200 O  O   . HOH R 7 .   ? 16.51549  -16.88592 17.78948  1.000 51.63396  ? 458 HOH A O   1 
HETATM 2201 O  O   . HOH R 7 .   ? -9.91979  -33.91409 26.18281  1.000 29.73598  ? 459 HOH A O   1 
HETATM 2202 O  O   . HOH R 7 .   ? -5.89575  -35.68960 18.37846  1.000 40.99331  ? 460 HOH A O   1 
HETATM 2203 O  O   . HOH R 7 .   ? 4.13613   -10.25446 30.95142  1.000 24.89044  ? 461 HOH A O   1 
HETATM 2204 O  O   . HOH R 7 .   ? -7.65416  -9.68798  30.53542  1.000 27.13250  ? 462 HOH A O   1 
HETATM 2205 O  O   . HOH R 7 .   ? -0.37759  -33.77379 33.06372  1.000 37.87835  ? 463 HOH A O   1 
HETATM 2206 O  O   . HOH R 7 .   ? 0.56713   -5.68194  13.41800  1.000 30.60890  ? 464 HOH A O   1 
HETATM 2207 O  O   . HOH R 7 .   ? -12.90722 -3.96221  19.46102  1.000 41.32329  ? 465 HOH A O   1 
HETATM 2208 O  O   . HOH R 7 .   ? -11.46887 -27.88327 7.75941   1.000 27.21169  ? 466 HOH A O   1 
HETATM 2209 O  O   . HOH R 7 .   ? -28.94860 -27.75629 21.22169  1.000 44.14673  ? 467 HOH A O   1 
HETATM 2210 O  O   . HOH R 7 .   ? 11.91552  -4.21922  20.84231  1.000 37.61122  ? 468 HOH A O   1 
HETATM 2211 O  O   . HOH R 7 .   ? 6.36230   -12.36467 22.41700  1.000 15.83295  ? 469 HOH A O   1 
HETATM 2212 O  O   . HOH R 7 .   ? -16.42268 -14.02546 10.20180  1.000 37.35289  ? 470 HOH A O   1 
HETATM 2213 O  O   . HOH R 7 .   ? 4.59651   -24.42520 29.39949  1.000 29.19216  ? 471 HOH A O   1 
HETATM 2214 O  O   . HOH R 7 .   ? 5.89943   -17.30150 2.17382   1.000 34.70164  ? 472 HOH A O   1 
HETATM 2215 O  O   . HOH R 7 .   ? -15.13612 -6.55227  17.51083  1.000 37.72985  ? 473 HOH A O   1 
HETATM 2216 O  O   . HOH R 7 .   ? 1.746     -3.740    32.404    1.000 33.70171  ? 474 HOH A O   1 
HETATM 2217 O  O   . HOH R 7 .   ? -1.15695  -9.29208  -4.39507  1.000 43.98329  ? 475 HOH A O   1 
HETATM 2218 O  O   . HOH R 7 .   ? 17.04633  0.05328   20.54305  1.000 53.48680  ? 476 HOH A O   1 
HETATM 2219 O  O   . HOH R 7 .   ? 3.45825   -4.54866  10.96112  1.000 54.25528  ? 477 HOH A O   1 
HETATM 2220 O  O   . HOH R 7 .   ? -11.87058 -13.63595 36.09176  1.000 43.32719  ? 478 HOH A O   1 
HETATM 2221 O  O   . HOH R 7 .   ? -11.29197 -17.41470 12.45828  1.000 27.61644  ? 479 HOH A O   1 
HETATM 2222 O  O   . HOH R 7 .   ? 5.54791   -22.89855 27.38575  1.000 22.89554  ? 480 HOH A O   1 
HETATM 2223 O  O   . HOH R 7 .   ? -1.14377  -0.95391  14.68480  1.000 37.14555  ? 481 HOH A O   1 
HETATM 2224 O  O   . HOH R 7 .   ? 10.89059  -12.87221 23.21004  1.000 28.00925  ? 482 HOH A O   1 
HETATM 2225 O  O   . HOH R 7 .   ? 2.31854   -7.15778  11.05749  1.000 45.82682  ? 483 HOH A O   1 
HETATM 2226 O  O   . HOH R 7 .   ? 10.31663  -10.66837 12.49142  1.000 36.25068  ? 484 HOH A O   1 
HETATM 2227 O  O   . HOH R 7 .   ? 1.05080   -3.14776  16.87246  1.000 26.32108  ? 485 HOH A O   1 
HETATM 2228 O  O   . HOH R 7 .   ? 6.63637   -24.36335 8.51899   1.000 34.52811  ? 486 HOH A O   1 
HETATM 2229 O  O   . HOH R 7 .   ? -0.34372  -26.20905 33.16038  1.000 21.50806  ? 487 HOH A O   1 
HETATM 2230 O  O   . HOH R 7 .   ? -1.41185  -0.39757  32.86360  1.000 43.47475  ? 488 HOH A O   1 
HETATM 2231 O  O   . HOH R 7 .   ? -15.78027 -6.87195  20.17669  1.000 42.44422  ? 489 HOH A O   1 
HETATM 2232 O  O   . HOH R 7 .   ? 9.21896   -14.85103 3.53142   1.000 34.88411  ? 490 HOH A O   1 
HETATM 2233 O  O   . HOH R 7 .   ? -18.91154 -16.25430 10.64369  1.000 39.46949  ? 491 HOH A O   1 
HETATM 2234 O  O   . HOH R 7 .   ? 3.82913   -17.39002 7.63968   1.000 27.03309  ? 492 HOH A O   1 
HETATM 2235 O  O   . HOH R 7 .   ? -2.63552  -34.70290 21.68669  1.000 38.33541  ? 493 HOH A O   1 
HETATM 2236 O  O   . HOH R 7 .   ? 14.03325  -15.69069 10.33511  1.000 38.89242  ? 494 HOH A O   1 
HETATM 2237 O  O   . HOH R 7 .   ? -15.24114 -26.75513 34.49653  1.000 25.87398  ? 495 HOH A O   1 
HETATM 2238 O  O   . HOH R 7 .   ? -11.38497 -32.81971 19.58377  1.000 26.06160  ? 496 HOH A O   1 
HETATM 2239 O  O   . HOH R 7 .   ? -11.33910 -11.45413 23.12822  1.000 28.58736  ? 497 HOH A O   1 
HETATM 2240 O  O   . HOH R 7 .   ? 6.56977   -23.57250 5.51190   1.000 32.00350  ? 498 HOH A O   1 
HETATM 2241 O  O   . HOH R 7 .   ? 0.44359   -28.95081 34.05838  1.000 37.15809  ? 499 HOH A O   1 
HETATM 2242 O  O   . HOH R 7 .   ? -4.76730  -3.97780  27.15880  1.000 32.52498  ? 500 HOH A O   1 
HETATM 2243 O  O   . HOH R 7 .   ? -8.26597  -20.00037 17.62576  1.000 35.76997  ? 501 HOH A O   1 
HETATM 2244 O  O   . HOH R 7 .   ? 18.85642  -9.19498  20.92363  1.000 41.04806  ? 502 HOH A O   1 
HETATM 2245 O  O   . HOH R 7 .   ? 7.62613   -1.02114  20.16031  1.000 36.29032  ? 503 HOH A O   1 
HETATM 2246 O  O   . HOH R 7 .   ? -2.77917  -24.26031 22.01802  1.000 21.18948  ? 504 HOH A O   1 
HETATM 2247 O  O   . HOH R 7 .   ? -10.48056 -1.64548  18.97846  1.000 45.22362  ? 505 HOH A O   1 
HETATM 2248 O  O   . HOH R 7 .   ? -30.076   -26.894   25.626    1.000 46.42813  ? 506 HOH A O   1 
HETATM 2249 O  O   . HOH R 7 .   ? -7.03710  -19.13216 36.73847  1.000 22.89076  ? 507 HOH A O   1 
HETATM 2250 O  O   . HOH R 7 .   ? -21.92643 -18.66417 25.88992  1.000 36.33220  ? 508 HOH A O   1 
HETATM 2251 O  O   . HOH R 7 .   ? -8.35779  -18.65590 38.99924  1.000 29.79620  ? 509 HOH A O   1 
HETATM 2252 O  O   . HOH R 7 .   ? -2.84065  -22.53737 -3.21477  1.000 28.59320  ? 510 HOH A O   1 
HETATM 2253 O  O   . HOH R 7 .   ? -6.99223  -35.66911 10.91366  1.000 58.23659  ? 511 HOH A O   1 
HETATM 2254 O  O   . HOH R 7 .   ? 10.10623  -18.79794 3.84474   1.000 39.18052  ? 512 HOH A O   1 
HETATM 2255 O  O   . HOH R 7 .   ? -9.82491  -34.70137 37.35756  1.000 54.82681  ? 513 HOH A O   1 
HETATM 2256 O  O   . HOH R 7 .   ? 6.68568   -20.62095 -11.93497 1.000 31.93733  ? 514 HOH A O   1 
HETATM 2257 O  O   . HOH R 7 .   ? 5.76758   -23.35206 31.53840  1.000 24.29162  ? 515 HOH A O   1 
HETATM 2258 O  O   . HOH R 7 .   ? -2.25002  -35.76468 30.32352  1.000 31.34602  ? 516 HOH A O   1 
HETATM 2259 O  O   . HOH R 7 .   ? -0.94959  -34.47392 28.22532  1.000 33.43090  ? 517 HOH A O   1 
HETATM 2260 O  O   . HOH R 7 .   ? 0.82246   -22.93825 -3.58645  1.000 37.02505  ? 518 HOH A O   1 
HETATM 2261 O  O   . HOH R 7 .   ? -22.91915 -23.54037 21.26343  1.000 33.73866  ? 519 HOH A O   1 
HETATM 2262 O  O   . HOH R 7 .   ? -10.80458 -18.49136 16.81326  1.000 25.37422  ? 520 HOH A O   1 
HETATM 2263 O  O   . HOH R 7 .   ? -10.56166 -16.57764 14.94304  1.000 26.91244  ? 521 HOH A O   1 
HETATM 2264 O  O   . HOH R 7 .   ? 2.64538   -35.14764 14.75875  1.000 49.48589  ? 522 HOH A O   1 
HETATM 2265 O  O   . HOH R 7 .   ? 6.13757   -10.42680 24.30823  1.000 28.30706  ? 523 HOH A O   1 
HETATM 2266 O  O   . HOH R 7 .   ? -13.63529 -3.65248  14.86138  1.000 38.73918  ? 524 HOH A O   1 
HETATM 2267 O  O   . HOH R 7 .   ? -16.53719 -28.87187 33.27975  1.000 32.40758  ? 525 HOH A O   1 
HETATM 2268 O  O   . HOH R 7 .   ? -23.47814 -20.65632 28.67959  1.000 38.09450  ? 526 HOH A O   1 
HETATM 2269 O  O   . HOH R 7 .   ? 6.02460   -4.26032  29.04124  1.000 32.64256  ? 527 HOH A O   1 
HETATM 2270 O  O   . HOH R 7 .   ? -15.96874 -7.44820  9.37029   1.000 43.82752  ? 528 HOH A O   1 
HETATM 2271 O  O   . HOH R 7 .   ? -13.09854 -30.98594 17.52418  1.000 41.62189  ? 529 HOH A O   1 
HETATM 2272 O  O   . HOH R 7 .   ? -1.77521  -12.12443 2.44480   1.000 37.72653  ? 530 HOH A O   1 
HETATM 2273 O  O   . HOH R 7 .   ? 9.37093   -12.63371 5.42256   1.000 44.12734  ? 531 HOH A O   1 
HETATM 2274 O  O   . HOH R 7 .   ? 10.29350  -23.33645 21.99205  1.000 33.07835  ? 532 HOH A O   1 
HETATM 2275 O  O   . HOH R 7 .   ? -19.25264 -14.07711 24.86785  1.000 47.77391  ? 533 HOH A O   1 
HETATM 2276 O  O   . HOH R 7 .   ? 4.14576   -24.15595 33.68931  1.000 24.57407  ? 534 HOH A O   1 
HETATM 2277 O  O   . HOH R 7 .   ? -21.27746 -33.49193 28.68029  1.000 41.90012  ? 535 HOH A O   1 
HETATM 2278 O  O   . HOH R 7 .   ? -12.53391 -36.18620 28.54012  1.000 50.39379  ? 536 HOH A O   1 
HETATM 2279 O  O   . HOH R 7 .   ? -12.46547 -33.12017 39.05313  1.000 52.94623  ? 537 HOH A O   1 
HETATM 2280 O  O   . HOH R 7 .   ? 6.76637   -10.81541 -8.82009  1.000 54.48017  ? 538 HOH A O   1 
HETATM 2281 O  O   . HOH R 7 .   ? 7.52001   -5.23487  26.94658  1.000 49.81588  ? 539 HOH A O   1 
HETATM 2282 O  O   . HOH R 7 .   ? -19.76520 -19.63161 33.69188  1.000 49.74029  ? 540 HOH A O   1 
HETATM 2283 O  O   . HOH R 7 .   ? -19.62051 -32.01915 24.01163  1.000 30.81251  ? 541 HOH A O   1 
HETATM 2284 O  O   . HOH R 7 .   ? -14.03494 -10.79251 33.44838  1.000 46.57633  ? 542 HOH A O   1 
HETATM 2285 O  O   . HOH R 7 .   ? 7.06939   -4.87929  21.70076  1.000 29.43763  ? 543 HOH A O   1 
HETATM 2286 O  O   . HOH R 7 .   ? 1.39827   -11.59745 7.67727   1.000 41.33074  ? 544 HOH A O   1 
HETATM 2287 O  O   . HOH R 7 .   ? 3.98184   -11.79691 33.81002  1.000 35.63253  ? 545 HOH A O   1 
HETATM 2288 O  O   . HOH R 7 .   ? 16.740    -15.230   13.186    1.000 37.87302  ? 546 HOH A O   1 
HETATM 2289 O  O   . HOH R 7 .   ? -13.34410 -31.06632 14.71097  1.000 47.82074  ? 547 HOH A O   1 
HETATM 2290 O  O   . HOH R 7 .   ? -19.79358 -15.21643 31.18040  1.000 41.51260  ? 548 HOH A O   1 
HETATM 2291 O  O   . HOH R 7 .   ? 14.088    -20.913   21.032    1.000 52.65074  ? 549 HOH A O   1 
HETATM 2292 O  O   . HOH R 7 .   ? -27.149   -24.889   23.264    1.000 46.55526  ? 550 HOH A O   1 
HETATM 2293 O  O   . HOH R 7 .   ? -0.21960  -10.81681 -1.09917  1.000 46.96950  ? 551 HOH A O   1 
HETATM 2294 O  O   . HOH R 7 .   ? 12.23058  -15.89484 23.17247  1.000 47.94264  ? 552 HOH A O   1 
HETATM 2295 O  O   . HOH R 7 .   ? -9.65061  -7.59105  -11.98424 1.000 51.35428  ? 553 HOH A O   1 
HETATM 2296 O  O   . HOH R 7 .   ? 0.84711   -24.99906 -17.21180 1.000 45.87997  ? 554 HOH A O   1 
HETATM 2297 O  O   . HOH R 7 .   ? -12.67350 -10.11427 30.37858  1.000 47.37782  ? 555 HOH A O   1 
HETATM 2298 O  O   . HOH R 7 .   ? 1.63161   -28.68994 30.17122  1.000 44.34016  ? 556 HOH A O   1 
HETATM 2299 O  O   . HOH R 7 .   ? 4.07778   -10.72365 -2.59304  1.000 54.37183  ? 557 HOH A O   1 
HETATM 2300 O  O   . HOH R 7 .   ? 6.93943   -1.54396  28.27799  1.000 37.78427  ? 558 HOH A O   1 
HETATM 2301 O  O   . HOH R 7 .   ? -2.61418  -1.72646  22.86904  1.000 48.67727  ? 559 HOH A O   1 
HETATM 2302 O  O   . HOH R 7 .   ? 4.47636   -12.79434 31.93150  1.000 42.24627  ? 560 HOH A O   1 
HETATM 2303 O  O   . HOH R 7 .   ? 15.648    -12.710   11.284    1.000 53.71704  ? 561 HOH A O   1 
HETATM 2304 O  O   . HOH R 7 .   ? -15.17080 -27.70322 37.19450  1.000 44.45319  ? 562 HOH A O   1 
HETATM 2305 O  O   . HOH R 7 .   ? -20.11632 -16.60523 26.21761  1.000 37.73222  ? 563 HOH A O   1 
HETATM 2306 O  O   . HOH R 7 .   ? 6.782     -15.776   36.942    1.000 50.13148  ? 564 HOH A O   1 
HETATM 2307 O  O   . HOH R 7 .   ? -9.15131  -28.55829 42.38107  1.000 51.47864  ? 565 HOH A O   1 
HETATM 2308 O  O   . HOH R 7 .   ? 9.44922   -12.88480 25.30207  1.000 46.61635  ? 566 HOH A O   1 
HETATM 2309 O  O   . HOH R 7 .   ? -10.79658 -3.72672  11.43945  1.000 41.51288  ? 567 HOH A O   1 
HETATM 2310 O  O   . HOH R 7 .   ? -0.24750  -1.27508  23.87593  1.000 40.84128  ? 568 HOH A O   1 
HETATM 2311 O  O   . HOH R 7 .   ? -18.69869 -15.07273 22.26345  1.000 52.50679  ? 569 HOH A O   1 
HETATM 2312 O  O   . HOH R 7 .   ? 3.12750   -16.68117 5.65533   1.000 32.53451  ? 570 HOH A O   1 
HETATM 2313 O  O   . HOH R 7 .   ? -0.867    -45.316   8.520     1.000 47.44953  ? 571 HOH A O   1 
HETATM 2314 O  O   . HOH R 7 .   ? -18.93483 -13.90232 -1.06493  1.000 49.44633  ? 572 HOH A O   1 
HETATM 2315 O  O   . HOH R 7 .   ? -12.50977 -30.72922 7.54317   1.000 49.79032  ? 573 HOH A O   1 
HETATM 2316 O  O   . HOH R 7 .   ? -10.18002 -27.20428 44.50694  1.000 64.45851  ? 574 HOH A O   1 
HETATM 2317 O  O   . HOH R 7 .   ? -9.36916  -36.33612 25.86772  1.000 49.61123  ? 575 HOH A O   1 
HETATM 2318 O  O   . HOH R 7 .   ? -22.88716 -20.94511 30.93275  1.000 39.08492  ? 576 HOH A O   1 
HETATM 2319 O  O   . HOH R 7 .   ? -19.17743 -11.05012 25.19065  1.000 51.20453  ? 577 HOH A O   1 
HETATM 2320 O  O   . HOH R 7 .   ? -15.54482 -21.49827 41.44266  1.000 53.80241  ? 578 HOH A O   1 
HETATM 2321 O  O   . HOH R 7 .   ? -8.00798  -8.54249  40.30440  1.000 62.29989  ? 579 HOH A O   1 
HETATM 2322 O  O   . HOH R 7 .   ? -16.91683 -23.89437 -0.25094  1.000 56.76867  ? 580 HOH A O   1 
HETATM 2323 O  O   . HOH R 7 .   ? 4.06622   -24.39964 6.26904   1.000 37.15451  ? 581 HOH A O   1 
HETATM 2324 O  O   . HOH R 7 .   ? -10.24843 -35.60549 18.79505  1.000 50.81523  ? 582 HOH A O   1 
HETATM 2325 O  O   . HOH R 7 .   ? 6.91302   -6.27043  23.91852  1.000 44.47355  ? 583 HOH A O   1 
HETATM 2326 O  O   . HOH R 7 .   ? 3.771     -27.660   6.384     1.000 49.05871  ? 584 HOH A O   1 
HETATM 2327 O  O   . HOH R 7 .   ? 5.29476   -7.94431  23.82919  1.000 39.19058  ? 585 HOH A O   1 
HETATM 2328 O  O   . HOH R 7 .   ? 2.75150   -22.03680 -5.85951  1.000 39.58435  ? 586 HOH A O   1 
HETATM 2329 O  O   . HOH R 7 .   ? -8.58999  -8.02158  -14.74783 1.000 47.30276  ? 587 HOH A O   1 
HETATM 2330 O  O   . HOH R 7 .   ? -14.48898 -29.55110 41.83853  1.000 62.33841  ? 588 HOH A O   1 
HETATM 2331 O  O   . HOH R 7 .   ? 3.26185   -24.29835 -1.09966  1.000 51.98473  ? 589 HOH A O   1 
HETATM 2332 O  O   . HOH R 7 .   ? 18.02334  -3.80506  16.27777  1.000 55.18608  ? 590 HOH A O   1 
HETATM 2333 O  O   . HOH R 7 .   ? 1.86059   -1.31286  15.04301  1.000 39.75478  ? 591 HOH A O   1 
HETATM 2334 O  O   . HOH R 7 .   ? 5.732     -8.279    31.484    1.000 41.23559  ? 592 HOH A O   1 
HETATM 2335 O  O   . HOH R 7 .   ? -16.63822 -5.11894  22.08105  1.000 57.47870  ? 593 HOH A O   1 
HETATM 2336 O  O   . HOH R 7 .   ? -0.62837  -24.88743 -3.55856  1.000 44.88020  ? 594 HOH A O   1 
HETATM 2337 O  O   . HOH R 7 .   ? -13.20561 -14.75042 37.88734  1.000 54.23705  ? 595 HOH A O   1 
HETATM 2338 O  O   . HOH R 7 .   ? 0.72148   -32.94074 30.21758  1.000 43.38257  ? 596 HOH A O   1 
HETATM 2339 O  O   . HOH R 7 .   ? -1.80940  -3.29376  27.09455  1.000 47.98856  ? 597 HOH A O   1 
HETATM 2340 O  O   . HOH R 7 .   ? 4.57653   -15.26925 3.19799   1.000 47.01594  ? 598 HOH A O   1 
HETATM 2341 O  O   . HOH R 7 .   ? 2.42863   -26.26591 32.69727  1.000 39.49741  ? 599 HOH A O   1 
HETATM 2342 O  O   . HOH R 7 .   ? 6.15574   -24.16953 25.17333  1.000 37.37473  ? 600 HOH A O   1 
HETATM 2343 O  O   . HOH R 7 .   ? 9.19412   -5.60133  20.15138  1.000 42.52630  ? 601 HOH A O   1 
HETATM 2344 O  O   . HOH R 7 .   ? -27.576   -23.824   32.155    1.000 42.54368  ? 602 HOH A O   1 
HETATM 2345 O  O   . HOH R 7 .   ? 8.89623   -9.21746  25.41080  1.000 51.73914  ? 603 HOH A O   1 
HETATM 2346 O  O   . HOH R 7 .   ? 6.09879   -14.45728 32.61088  1.000 42.25089  ? 604 HOH A O   1 
HETATM 2347 O  O   . HOH R 7 .   ? -8.39667  -36.49122 16.85227  1.000 47.85734  ? 605 HOH A O   1 
HETATM 2348 O  O   . HOH R 7 .   ? 12.57698  -11.57619 5.87228   1.000 46.66147  ? 606 HOH A O   1 
HETATM 2349 O  O   . HOH R 7 .   ? -18.37295 -12.66437 32.38067  1.000 47.00431  ? 607 HOH A O   1 
HETATM 2350 O  O   . HOH R 7 .   ? -19.00499 -14.30286 9.35522   1.000 44.39314  ? 608 HOH A O   1 
HETATM 2351 O  O   . HOH R 7 .   ? -0.880    -3.018    32.788    1.000 40.01859  ? 609 HOH A O   1 
HETATM 2352 O  O   . HOH R 7 .   ? 3.29478   -27.81960 4.02002   1.000 55.55713  ? 610 HOH A O   1 
HETATM 2353 O  O   . HOH R 7 .   ? -15.68863 -31.96896 18.55013  1.000 48.31189  ? 611 HOH A O   1 
HETATM 2354 O  O   . HOH R 7 .   ? -23.127   -32.757   10.629    1.000 56.27042  ? 612 HOH A O   1 
HETATM 2355 O  O   . HOH R 7 .   ? 1.46707   -2.78502  12.05786  1.000 51.80910  ? 613 HOH A O   1 
HETATM 2356 O  O   . HOH R 7 .   ? 9.82170   -16.07111 31.72583  1.000 40.47516  ? 614 HOH A O   1 
HETATM 2357 O  O   . HOH R 7 .   ? 1.823     -45.570   11.815    1.000 51.55079  ? 615 HOH A O   1 
HETATM 2358 O  O   . HOH R 7 .   ? 3.098     -32.621   28.965    1.000 54.33710  ? 616 HOH A O   1 
HETATM 2359 O  O   . HOH R 7 .   ? 8.18285   -7.28060  28.31445  1.000 55.98981  ? 617 HOH A O   1 
HETATM 2360 O  O   . HOH R 7 .   ? 2.96002   -14.72047 5.33022   1.000 40.04836  ? 618 HOH A O   1 
HETATM 2361 O  O   . HOH R 7 .   ? 3.52723   -12.84704 6.18925   1.000 35.55999  ? 619 HOH A O   1 
HETATM 2362 O  O   . HOH R 7 .   ? -24.124   -17.107   27.960    1.000 48.86995  ? 620 HOH A O   1 
HETATM 2363 O  O   . HOH R 7 .   ? -20.122   -24.894   -7.413    1.000 63.00247  ? 621 HOH A O   1 
HETATM 2364 O  O   . HOH R 7 .   ? 7.53133   -19.28737 -2.35530  1.000 50.36679  ? 622 HOH A O   1 
HETATM 2365 O  O   . HOH R 7 .   ? -5.14479  -4.51275  29.65224  1.000 51.31037  ? 623 HOH A O   1 
HETATM 2366 O  O   . HOH R 7 .   ? 6.59175   -13.22551 3.26209   1.000 52.53244  ? 624 HOH A O   1 
HETATM 2367 O  O   . HOH R 7 .   ? 5.89698   -27.31825 28.62207  1.000 56.28788  ? 625 HOH A O   1 
HETATM 2368 O  O   . HOH R 7 .   ? -12.79643 -4.71645  -13.11492 1.000 60.82001  ? 626 HOH A O   1 
HETATM 2369 O  O   . HOH R 7 .   ? 6.78146   -25.68838 3.36092   1.000 53.72184  ? 627 HOH A O   1 
HETATM 2370 O  O   . HOH R 7 .   ? 8.055     -2.880    -9.863    1.000 61.20280  ? 628 HOH A O   1 
HETATM 2371 O  O   . HOH R 7 .   ? 10.32660  -22.14866 1.58575   1.000 51.78121  ? 629 HOH A O   1 
HETATM 2372 O  O   . HOH R 7 .   ? -9.60038  -40.77917 15.05564  1.000 67.23261  ? 630 HOH A O   1 
HETATM 2373 O  O   . HOH R 7 .   ? 10.69130  -6.27905  26.50257  1.000 56.13066  ? 631 HOH A O   1 
HETATM 2374 O  O   . HOH R 7 .   ? -17.37380 -32.75284 -3.62410  1.000 52.78224  ? 632 HOH A O   1 
HETATM 2375 O  O   . HOH S 7 .   ? 3.48727   -24.86932 9.03411   1.000 31.76353  ? 201 HOH B O   1 
HETATM 2376 O  O   . HOH S 7 .   ? 3.59591   -23.32765 11.60524  1.000 17.57527  ? 202 HOH B O   1 
HETATM 2377 O  O   . HOH S 7 .   ? 9.05579   -32.35143 16.27558  1.000 38.86465  ? 203 HOH B O   1 
HETATM 2378 O  O   . HOH S 7 .   ? 15.591    -20.668   17.243    1.000 45.46132  ? 204 HOH B O   1 
HETATM 2379 O  O   . HOH S 7 .   ? 14.62652  -29.42188 10.88702  1.000 42.11151  ? 205 HOH B O   1 
HETATM 2380 O  O   . HOH S 7 .   ? 16.668    -17.903   14.435    1.000 36.66173  ? 206 HOH B O   1 
HETATM 2381 O  O   . HOH S 7 .   ? 9.74902   -21.98290 5.93685   1.000 38.39423  ? 207 HOH B O   1 
HETATM 2382 O  O   . HOH S 7 .   ? 4.00727   -29.10843 20.74588  1.000 29.72718  ? 208 HOH B O   1 
HETATM 2383 O  O   . HOH S 7 .   ? 7.98161   -24.95703 21.22378  1.000 43.56359  ? 209 HOH B O   1 
HETATM 2384 O  O   . HOH S 7 .   ? 10.85370  -32.55181 12.85669  1.000 50.75417  ? 210 HOH B O   1 
HETATM 2385 O  O   . HOH S 7 .   ? 2.50088   -33.25196 17.40581  1.000 43.91620  ? 211 HOH B O   1 
HETATM 2386 O  O   . HOH S 7 .   ? 7.06367   -27.96020 7.22145   1.000 46.60504  ? 212 HOH B 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 
9    N N   . ALA A 8   ? 0.48515 0.74232 0.28381 -0.07267 0.02711  0.08903  7   ALA A N   
10   C CA  . ALA A 8   ? 0.40345 0.63984 0.23069 -0.06741 0.01426  0.09791  7   ALA A CA  
11   C C   . ALA A 8   ? 0.43409 0.66811 0.26436 -0.06384 0.01684  0.06411  7   ALA A C   
12   O O   . ALA A 8   ? 0.47306 0.70570 0.30198 -0.05991 0.03424  0.03610  7   ALA A O   
13   C CB  . ALA A 8   ? 0.38682 0.59377 0.24858 -0.06329 0.02094  0.11802  7   ALA A CB  
14   N N   . SER A 9   ? 0.43266 0.66016 0.27909 -0.06247 -0.00163 0.06549  8   SER A N   
15   C CA  . SER A 9   ? 0.30718 0.51423 0.17656 -0.05858 -0.00202 0.03396  8   SER A CA  
16   C C   . SER A 9   ? 0.27419 0.45208 0.17562 -0.04758 0.01551  0.02866  8   SER A C   
17   O O   . SER A 9   ? 0.29044 0.45988 0.20622 -0.04349 0.02221  0.05053  8   SER A O   
18   C CB  . SER A 9   ? 0.35728 0.56533 0.25376 -0.05986 -0.02354 0.04332  8   SER A CB  
19   O OG  . SER A 9   ? 0.36573 0.56066 0.29763 -0.04845 -0.02255 0.07101  8   SER A OG  
20   N N   . LEU A 10  ? 0.29125 0.45104 0.20326 -0.04384 0.02057  -0.00038 9   LEU A N   
21   C CA  . LEU A 10  ? 0.26234 0.39855 0.20270 -0.03301 0.03343  -0.00321 9   LEU A CA  
22   C C   . LEU A 10  ? 0.25004 0.37080 0.21983 -0.02890 0.02819  0.01850  9   LEU A C   
23   O O   . LEU A 10  ? 0.23307 0.34291 0.21566 -0.02301 0.03633  0.02768  9   LEU A O   
24   C CB  . LEU A 10  ? 0.28161 0.39650 0.22913 -0.02832 0.03661  -0.03320 9   LEU A CB  
25   C CG  . LEU A 10  ? 0.27511 0.36759 0.25051 -0.01597 0.04611  -0.03431 9   LEU A CG  
26   C CD1 . LEU A 10  ? 0.26797 0.37866 0.24500 -0.00946 0.06007  -0.02768 9   LEU A CD1 
27   C CD2 . LEU A 10  ? 0.28388 0.35079 0.26380 -0.01055 0.04691  -0.06141 9   LEU A CD2 
28   N N   . ILE A 11  ? 0.19718 0.32097 0.17842 -0.03207 0.01475  0.02566  10  ILE A N   
29   C CA  . ILE A 11  ? 0.18768 0.30151 0.19722 -0.02402 0.01452  0.04293  10  ILE A CA  
30   C C   . ILE A 11  ? 0.23791 0.35111 0.24524 -0.01864 0.01494  0.06596  10  ILE A C   
31   O O   . ILE A 11  ? 0.22425 0.31747 0.24511 -0.01016 0.02165  0.07181  10  ILE A O   
32   C CB  . ILE A 11  ? 0.23242 0.35964 0.26380 -0.02765 0.00273  0.04654  10  ILE A CB  
33   C CG1 . ILE A 11  ? 0.15952 0.27972 0.22008 -0.01596 0.00969  0.05883  10  ILE A CG1 
34   C CG2 . ILE A 11  ? 0.19649 0.35493 0.22118 -0.03332 -0.01476 0.05983  10  ILE A CG2 
35   C CD1 . ILE A 11  ? 0.18890 0.28301 0.25058 -0.01156 0.02355  0.04907  10  ILE A CD1 
36   N N   . GLN A 12  ? 0.19791 0.32906 0.18454 -0.02469 0.00747  0.07916  11  GLN A N   
37   C CA  . GLN A 12  ? 0.21632 0.33771 0.20084 -0.02203 0.00785  0.10454  11  GLN A CA  
38   C C   . GLN A 12  ? 0.27492 0.38055 0.25490 -0.02596 0.02244  0.09982  11  GLN A C   
39   O O   . GLN A 12  ? 0.29804 0.37830 0.28971 -0.02306 0.02458  0.11136  11  GLN A O   
40   C CB  . GLN A 12  ? 0.30192 0.44812 0.26085 -0.03003 -0.00365 0.12537  11  GLN A CB  
41   C CG  . GLN A 12  ? 0.37146 0.50201 0.32634 -0.03095 -0.00367 0.15730  11  GLN A CG  
42   C CD  . GLN A 12  ? 0.36094 0.47015 0.34468 -0.01468 -0.01491 0.17960  11  GLN A CD  
43   O OE1 . GLN A 12  ? 0.37001 0.49857 0.36926 -0.00530 -0.02777 0.18336  11  GLN A OE1 
44   N NE2 . GLN A 12  ? 0.45206 0.52116 0.44666 -0.01112 -0.01027 0.18754  11  GLN A NE2 
45   N N   . ARG A 13  ? 0.19774 0.31897 0.16356 -0.03223 0.03191  0.08128  12  ARG A N   
46   C CA  A ARG A 13  ? 0.22619 0.34522 0.19624 -0.03595 0.04482  0.07821  12  ARG A CA  
47   C CA  B ARG A 13  ? 0.22623 0.34530 0.19627 -0.03594 0.04484  0.07812  12  ARG A CA  
48   C C   . ARG A 13  ? 0.26345 0.35650 0.25749 -0.02786 0.04645  0.06903  12  ARG A C   
49   O O   . ARG A 13  ? 0.27241 0.35447 0.27521 -0.03225 0.04932  0.07490  12  ARG A O   
50   C CB  A ARG A 13  ? 0.27168 0.41888 0.22786 -0.03805 0.05638  0.05795  12  ARG A CB  
51   C CB  B ARG A 13  ? 0.27164 0.41865 0.22803 -0.03790 0.05637  0.05762  12  ARG A CB  
52   C CG  A ARG A 13  ? 0.32001 0.49446 0.24601 -0.04696 0.05809  0.06475  12  ARG A CG  
53   C CG  B ARG A 13  ? 0.31757 0.49287 0.24202 -0.04642 0.05745  0.06279  12  ARG A CG  
54   C CD  A ARG A 13  ? 0.38057 0.57724 0.29526 -0.04284 0.07156  0.03696  12  ARG A CD  
55   C CD  B ARG A 13  ? 0.37875 0.57519 0.29188 -0.04213 0.07081  0.03416  12  ARG A CD  
56   N NE  A ARG A 13  ? 0.36042 0.56649 0.24924 -0.04135 0.06795  0.01413  12  ARG A NE  
57   N NE  B ARG A 13  ? 0.38783 0.58653 0.32521 -0.03808 0.08297  0.03045  12  ARG A NE  
58   C CZ  A ARG A 13  ? 0.34585 0.55130 0.23310 -0.03199 0.07662  -0.02010 12  ARG A CZ  
59   C CZ  B ARG A 13  ? 0.41056 0.61587 0.36053 -0.02587 0.09352  0.00622  12  ARG A CZ  
60   N NH1 A ARG A 13  ? 0.40887 0.61019 0.32285 -0.01985 0.08940  -0.03097 12  ARG A NH1 
61   N NH1 B ARG A 13  ? 0.36830 0.56939 0.30832 -0.01628 0.09471  -0.02060 12  ARG A NH1 
62   N NH2 A ARG A 13  ? 0.40467 0.60495 0.26821 -0.03373 0.06747  -0.04348 12  ARG A NH2 
63   N NH2 B ARG A 13  ? 0.28907 0.50447 0.26434 -0.02328 0.10170  0.00854  12  ARG A NH2 
64   N N   . ILE A 14  ? 0.24369 0.32844 0.24656 -0.01890 0.04369  0.05559  13  ILE A N   
65   C CA  . ILE A 14  ? 0.21762 0.28183 0.23573 -0.01139 0.04531  0.04974  13  ILE A CA  
66   C C   . ILE A 14  ? 0.23556 0.27804 0.25897 -0.00773 0.04214  0.06213  13  ILE A C   
67   O O   . ILE A 14  ? 0.24691 0.27201 0.27264 -0.00783 0.04373  0.05939  13  ILE A O   
68   C CB  . ILE A 14  ? 0.18230 0.24420 0.20768 -0.00583 0.04399  0.03898  13  ILE A CB  
69   C CG1 . ILE A 14  ? 0.19972 0.26666 0.22334 -0.00551 0.04782  0.02230  13  ILE A CG1 
70   C CG2 . ILE A 14  ? 0.23887 0.28426 0.27414 0.00154  0.04593  0.04037  13  ILE A CG2 
71   C CD1 . ILE A 14  ? 0.22660 0.28458 0.25629 -0.00562 0.04385  0.01337  13  ILE A CD1 
72   N N   . ALA A 15  ? 0.20787 0.25099 0.23404 -0.00330 0.03628  0.07434  14  ALA A N   
73   C CA  . ALA A 15  ? 0.26592 0.28432 0.30050 0.00589  0.03428  0.08467  14  ALA A CA  
74   C C   . ALA A 15  ? 0.26555 0.26139 0.29344 -0.00362 0.03324  0.09430  14  ALA A C   
75   O O   . ALA A 15  ? 0.29564 0.25884 0.32673 -0.00031 0.03392  0.08978  14  ALA A O   
76   C CB  . ALA A 15  ? 0.25367 0.28427 0.29895 0.01494  0.02620  0.10032  14  ALA A CB  
77   N N   A ARG A 16  ? 0.25921 0.27238 0.27622 -0.01761 0.03193  0.10705  15  ARG A N   
78   N N   B ARG A 16  ? 0.25879 0.27171 0.27587 -0.01745 0.03179  0.10738  15  ARG A N   
79   C CA  A ARG A 16  ? 0.29208 0.28803 0.30649 -0.03236 0.03169  0.12143  15  ARG A CA  
80   C CA  B ARG A 16  ? 0.29209 0.28792 0.30659 -0.03232 0.03173  0.12121  15  ARG A CA  
81   C C   A ARG A 16  ? 0.29289 0.28417 0.31306 -0.04170 0.03645  0.10496  15  ARG A C   
82   C C   B ARG A 16  ? 0.29258 0.28284 0.31299 -0.04094 0.03636  0.10420  15  ARG A C   
83   O O   A ARG A 16  ? 0.33393 0.29370 0.35915 -0.05085 0.03283  0.10795  15  ARG A O   
84   O O   B ARG A 16  ? 0.33389 0.29112 0.35931 -0.04868 0.03262  0.10587  15  ARG A O   
85   C CB  A ARG A 16  ? 0.30075 0.32705 0.29914 -0.04575 0.03222  0.13672  15  ARG A CB  
86   C CB  B ARG A 16  ? 0.29986 0.32701 0.29853 -0.04615 0.03283  0.13553  15  ARG A CB  
87   C CG  A ARG A 16  ? 0.33372 0.35371 0.33087 -0.06349 0.03458  0.14406  15  ARG A CG  
88   C CG  B ARG A 16  ? 0.28987 0.31756 0.27957 -0.04095 0.02239  0.15592  15  ARG A CG  
89   C CD  A ARG A 16  ? 0.34577 0.37225 0.32772 -0.06968 0.03042  0.16612  15  ARG A CD  
90   C CD  B ARG A 16  ? 0.35953 0.40951 0.32963 -0.05536 0.02365  0.16709  15  ARG A CD  
91   N NE  A ARG A 16  ? 0.40479 0.41609 0.39051 -0.08696 0.03228  0.17870  15  ARG A NE  
92   N NE  B ARG A 16  ? 0.45479 0.52024 0.41073 -0.05138 0.01271  0.18430  15  ARG A NE  
93   C CZ  A ARG A 16  ? 0.41087 0.44513 0.38463 -0.09945 0.03630  0.19399  15  ARG A CZ  
94   C CZ  B ARG A 16  ? 0.43210 0.53629 0.36315 -0.05853 0.01379  0.18351  15  ARG A CZ  
95   N NH1 A ARG A 16  ? 0.48541 0.55606 0.43794 -0.09606 0.03777  0.19742  15  ARG A NH1 
96   N NH1 B ARG A 16  ? 0.41706 0.54701 0.33697 -0.06620 0.02757  0.16441  15  ARG A NH1 
97   N NH2 A ARG A 16  ? 0.46505 0.48612 0.44754 -0.11740 0.03875  0.20621  15  ARG A NH2 
98   N NH2 B ARG A 16  ? 0.47881 0.59705 0.39641 -0.05630 0.00050  0.20084  15  ARG A NH2 
99   N N   . GLN A 17  ? 0.25408 0.27457 0.27514 -0.03959 0.04218  0.08751  16  GLN A N   
100  C CA  . GLN A 17  ? 0.26312 0.28816 0.29325 -0.04641 0.04337  0.07512  16  GLN A CA  
101  C C   . GLN A 17  ? 0.28615 0.27947 0.31573 -0.03754 0.03821  0.06165  16  GLN A C   
102  O O   . GLN A 17  ? 0.28207 0.26386 0.31445 -0.04784 0.03301  0.05550  16  GLN A O   
103  C CB  . GLN A 17  ? 0.23006 0.29342 0.26443 -0.04163 0.05021  0.06302  16  GLN A CB  
104  C CG  . GLN A 17  ? 0.21641 0.29645 0.26686 -0.04595 0.04926  0.05424  16  GLN A CG  
105  C CD  . GLN A 17  ? 0.29499 0.39161 0.35848 -0.06792 0.04938  0.06570  16  GLN A CD  
106  O OE1 . GLN A 17  ? 0.29542 0.40581 0.35524 -0.07831 0.05593  0.07953  16  GLN A OE1 
107  N NE2 . GLN A 17  ? 0.28197 0.37912 0.35933 -0.07676 0.04058  0.06036  16  GLN A NE2 
108  N N   . ALA A 18  ? 0.26840 0.25151 0.29358 -0.02032 0.03958  0.05664  17  ALA A N   
109  C CA  . ALA A 18  ? 0.28253 0.23918 0.30183 -0.01046 0.03880  0.04410  17  ALA A CA  
110  C C   . ALA A 18  ? 0.30879 0.22321 0.32548 -0.01351 0.03424  0.04497  17  ALA A C   
111  O O   . ALA A 18  ? 0.30307 0.19267 0.30991 -0.01524 0.03098  0.02912  17  ALA A O   
112  C CB  . ALA A 18  ? 0.24793 0.21068 0.26856 0.00740  0.04464  0.04259  17  ALA A CB  
113  N N   . SER A 19  ? 0.29240 0.19470 0.31558 -0.01455 0.03231  0.06339  18  SER A N   
114  C CA  . SER A 19  ? 0.34420 0.19539 0.36818 -0.01621 0.02681  0.06696  18  SER A CA  
115  C C   . SER A 19  ? 0.41102 0.24695 0.43445 -0.04366 0.01973  0.06542  18  SER A C   
116  O O   . SER A 19  ? 0.52403 0.31214 0.54291 -0.04824 0.01351  0.05243  18  SER A O   
117  C CB  . SER A 19  ? 0.39045 0.23368 0.42299 -0.01093 0.02378  0.09445  18  SER A CB  
118  O OG  . SER A 19  ? 0.58276 0.36765 0.62013 -0.00068 0.01938  0.09572  18  SER A OG  
119  N N   . LEU A 20  ? 0.36484 0.24270 0.39465 -0.06262 0.02081  0.07706  19  LEU A N   
120  C CA  A LEU A 20  ? 0.40373 0.28429 0.44202 -0.09118 0.01475  0.07741  19  LEU A CA  
121  C CA  B LEU A 20  ? 0.40364 0.28417 0.44190 -0.09111 0.01476  0.07741  19  LEU A CA  
122  C C   . LEU A 20  ? 0.38865 0.27186 0.42231 -0.09234 0.00855  0.05033  19  LEU A C   
123  O O   . LEU A 20  ? 0.41287 0.27137 0.44819 -0.11265 -0.00273 0.04153  19  LEU A O   
124  C CB  A LEU A 20  ? 0.39652 0.33601 0.44622 -0.10567 0.02202  0.09428  19  LEU A CB  
125  C CB  B LEU A 20  ? 0.39660 0.33569 0.44606 -0.10536 0.02211  0.09458  19  LEU A CB  
126  C CG  A LEU A 20  ? 0.43617 0.38040 0.48445 -0.11588 0.02613  0.12011  19  LEU A CG  
127  C CG  B LEU A 20  ? 0.38631 0.34532 0.45374 -0.13596 0.01920  0.10199  19  LEU A CG  
128  C CD1 A LEU A 20  ? 0.36732 0.37642 0.41982 -0.12001 0.03714  0.12147  19  LEU A CD1 
129  C CD1 B LEU A 20  ? 0.45054 0.36211 0.51624 -0.14856 0.01404  0.11387  19  LEU A CD1 
130  C CD2 A LEU A 20  ? 0.43625 0.33764 0.48971 -0.13479 0.01847  0.12703  19  LEU A CD2 
131  C CD2 B LEU A 20  ? 0.35927 0.38377 0.43300 -0.13378 0.03245  0.10797  19  LEU A CD2 
132  N N   . THR A 21  ? 0.34430 0.25661 0.37092 -0.07306 0.01372  0.03848  20  THR A N   
133  C CA  . THR A 21  ? 0.31866 0.24226 0.33756 -0.07347 0.00655  0.01907  20  THR A CA  
134  C C   . THR A 21  ? 0.40843 0.28324 0.40264 -0.06672 0.00150  -0.00252 20  THR A C   
135  O O   . THR A 21  ? 0.42494 0.29041 0.40919 -0.08122 -0.01139 -0.01871 20  THR A O   
136  C CB  . THR A 21  ? 0.30542 0.26798 0.32377 -0.05491 0.01362  0.01841  20  THR A CB  
137  O OG1 . THR A 21  ? 0.27630 0.28031 0.31518 -0.05873 0.01941  0.03163  20  THR A OG1 
138  C CG2 . THR A 21  ? 0.29045 0.26719 0.29905 -0.05418 0.00413  0.00534  20  THR A CG2 
139  N N   . PHE A 22  ? 0.37778 0.22438 0.36212 -0.04453 0.01122  -0.00493 21  PHE A N   
140  C CA  . PHE A 22  ? 0.47599 0.28615 0.43449 -0.03115 0.01223  -0.02991 21  PHE A CA  
141  C C   . PHE A 22  ? 0.57804 0.32292 0.53427 -0.02979 0.00979  -0.03852 21  PHE A C   
142  O O   . PHE A 22  ? 0.67322 0.38201 0.60489 -0.01920 0.01077  -0.06632 21  PHE A O   
143  C CB  . PHE A 22  ? 0.41991 0.25275 0.37132 -0.00390 0.02752  -0.03023 21  PHE A CB  
144  C CG  . PHE A 22  ? 0.36776 0.24761 0.31454 -0.00554 0.02733  -0.02644 21  PHE A CG  
145  C CD1 . PHE A 22  ? 0.33967 0.22611 0.26281 -0.01336 0.01787  -0.04085 21  PHE A CD1 
146  C CD2 . PHE A 22  ? 0.30249 0.21702 0.26804 -0.00046 0.03360  -0.00812 21  PHE A CD2 
147  C CE1 . PHE A 22  ? 0.31596 0.24246 0.23767 -0.01256 0.01546  -0.03187 21  PHE A CE1 
148  C CE2 . PHE A 22  ? 0.37866 0.32612 0.34298 -0.00034 0.03237  -0.00362 21  PHE A CE2 
149  C CZ  . PHE A 22  ? 0.31234 0.26560 0.25660 -0.00513 0.02333  -0.01289 21  PHE A CZ  
150  N N   . ARG A 23  ? 0.61698 0.34370 0.59555 -0.03994 0.00666  -0.01569 22  ARG A N   
151  C CA  . ARG A 23  ? 0.72794 0.38343 0.71000 -0.04257 0.00071  -0.01677 22  ARG A CA  
152  C C   . ARG A 23  ? 0.90176 0.49873 0.86065 -0.02420 0.00209  -0.05293 22  ARG A C   
153  O O   . ARG A 23  ? 0.91981 0.50901 0.87723 0.01025  0.01573  -0.05945 22  ARG A O   
154  C CB  . ARG A 23  ? 0.71775 0.35831 0.71106 -0.08301 -0.01456 -0.00674 22  ARG A CB  
155  C CG  . ARG A 23  ? 0.71252 0.38121 0.73043 -0.09828 -0.01289 0.03438  22  ARG A CG  
156  C CD  . ARG A 23  ? 0.80408 0.44521 0.83469 -0.12656 -0.01903 0.04525  22  ARG A CD  
157  N NE  . ARG A 23  ? 0.73207 0.38722 0.77165 -0.12733 -0.01136 0.08164  22  ARG A NE  
158  C CZ  . ARG A 23  ? 0.69916 0.40777 0.75018 -0.14874 -0.00783 0.10400  22  ARG A CZ  
159  N NH1 . ARG A 23  ? 0.63833 0.39508 0.70123 -0.16989 -0.01025 0.09642  22  ARG A NH1 
160  N NH2 . ARG A 23  ? 0.70851 0.42589 0.75792 -0.14673 -0.00193 0.13361  22  ARG A NH2 
161  N N   . MET A 44  ? 0.86312 0.77161 0.68633 -0.19975 -0.17035 -0.16749 43  MET A N   
162  C CA  . MET A 44  ? 0.85606 0.77189 0.72976 -0.19503 -0.15053 -0.13668 43  MET A CA  
163  C C   . MET A 44  ? 0.86662 0.77359 0.79109 -0.22730 -0.15797 -0.12839 43  MET A C   
164  O O   . MET A 44  ? 0.95222 0.90901 0.91312 -0.24711 -0.17535 -0.12041 43  MET A O   
165  C CB  . MET A 44  ? 0.76385 0.75658 0.66881 -0.17709 -0.14584 -0.10342 43  MET A CB  
166  C CG  . MET A 44  ? 0.75872 0.76057 0.62451 -0.14181 -0.13206 -0.09955 43  MET A CG  
167  S SD  . MET A 44  ? 1.05155 0.98721 0.85322 -0.11736 -0.10841 -0.12611 43  MET A SD  
168  C CE  . MET A 44  ? 0.75035 0.63526 0.58612 -0.10975 -0.08262 -0.12068 43  MET A CE  
169  N N   . GLN A 45  ? 1.03823 0.88672 0.97018 -0.22488 -0.14001 -0.12546 44  GLN A N   
170  C CA  . GLN A 45  ? 0.99968 0.83727 0.97943 -0.24774 -0.13892 -0.11056 44  GLN A CA  
171  C C   . GLN A 45  ? 0.89875 0.81603 0.93390 -0.25834 -0.13565 -0.07473 44  GLN A C   
172  O O   . GLN A 45  ? 0.75992 0.72869 0.80049 -0.24278 -0.12967 -0.06002 44  GLN A O   
173  C CB  . GLN A 45  ? 0.91769 0.68443 0.89356 -0.23450 -0.11857 -0.10597 44  GLN A CB  
174  C CG  . GLN A 45  ? 1.10839 0.79593 1.05696 -0.22999 -0.12056 -0.13953 44  GLN A CG  
175  C CD  . GLN A 45  ? 0.99071 0.67523 0.89048 -0.22199 -0.13293 -0.17920 44  GLN A CD  
176  O OE1 . GLN A 45  ? 0.98040 0.65871 0.87792 -0.24237 -0.15115 -0.20274 44  GLN A OE1 
177  N NE2 . GLN A 45  ? 0.98810 0.67919 0.84666 -0.19247 -0.12173 -0.18649 44  GLN A NE2 
178  N N   . PRO A 46  ? 0.87798 0.80937 0.95569 -0.28287 -0.13736 -0.06145 45  PRO A N   
179  C CA  . PRO A 46  ? 0.72868 0.73771 0.85725 -0.28706 -0.12745 -0.02961 45  PRO A CA  
180  C C   . PRO A 46  ? 0.71263 0.72402 0.84546 -0.26715 -0.10073 -0.00578 45  PRO A C   
181  O O   . PRO A 46  ? 0.75250 0.70150 0.86592 -0.26114 -0.08960 -0.00396 45  PRO A O   
182  C CB  . PRO A 46  ? 0.72035 0.72667 0.88262 -0.31886 -0.13188 -0.02338 45  PRO A CB  
183  C CG  . PRO A 46  ? 0.75009 0.69914 0.88492 -0.33403 -0.15374 -0.05692 45  PRO A CG  
184  C CD  . PRO A 46  ? 0.85475 0.73757 0.93609 -0.30806 -0.14839 -0.07746 45  PRO A CD  
185  N N   . GLY A 47  ? 0.52037 0.60550 0.67957 -0.25343 -0.09049 0.01148  46  GLY A N   
186  C CA  . GLY A 47  ? 0.36001 0.45809 0.52179 -0.23228 -0.06555 0.02997  46  GLY A CA  
187  C C   . GLY A 47  ? 0.34663 0.43506 0.47913 -0.20261 -0.06078 0.02164  46  GLY A C   
188  O O   . GLY A 47  ? 0.35310 0.46649 0.49115 -0.17864 -0.04069 0.03345  46  GLY A O   
189  N N   . PHE A 48  ? 0.35639 0.40528 0.45102 -0.19390 -0.07419 -0.00176 47  PHE A N   
190  C CA  . PHE A 48  ? 0.32693 0.36272 0.38884 -0.15658 -0.06349 -0.00915 47  PHE A CA  
191  C C   . PHE A 48  ? 0.27772 0.37609 0.35939 -0.13499 -0.05823 0.00242  47  PHE A C   
192  O O   . PHE A 48  ? 0.25699 0.35311 0.33432 -0.11010 -0.03956 0.00951  47  PHE A O   
193  C CB  . PHE A 48  ? 0.43226 0.42686 0.44851 -0.15388 -0.07758 -0.03575 47  PHE A CB  
194  C CG  . PHE A 48  ? 0.35373 0.34415 0.33808 -0.11980 -0.06579 -0.03954 47  PHE A CG  
195  C CD1 . PHE A 48  ? 0.35190 0.30515 0.32158 -0.09872 -0.04514 -0.03892 47  PHE A CD1 
196  C CD2 . PHE A 48  ? 0.37690 0.40511 0.34987 -0.11008 -0.07631 -0.03936 47  PHE A CD2 
197  C CE1 . PHE A 48  ? 0.39312 0.34933 0.33997 -0.07204 -0.03351 -0.03933 47  PHE A CE1 
198  C CE2 . PHE A 48  ? 0.38817 0.41263 0.33356 -0.08295 -0.06456 -0.03732 47  PHE A CE2 
199  C CZ  . PHE A 48  ? 0.37348 0.36296 0.30720 -0.06559 -0.04216 -0.03789 47  PHE A CZ  
200  N N   . PRO A 49  ? 0.27518 0.42883 0.38149 -0.14217 -0.07493 0.00510  48  PRO A N   
201  C CA  . PRO A 49  ? 0.23738 0.43935 0.36272 -0.11444 -0.06972 0.01621  48  PRO A CA  
202  C C   . PRO A 49  ? 0.20194 0.43163 0.35978 -0.10283 -0.04598 0.02946  48  PRO A C   
203  O O   . PRO A 49  ? 0.20708 0.43403 0.35938 -0.07461 -0.03276 0.03180  48  PRO A O   
204  C CB  . PRO A 49  ? 0.25214 0.51242 0.40603 -0.12672 -0.09555 0.01896  48  PRO A CB  
205  C CG  . PRO A 49  ? 0.34560 0.57847 0.47981 -0.16171 -0.11720 0.00327  48  PRO A CG  
206  C CD  . PRO A 49  ? 0.34800 0.52653 0.47328 -0.17561 -0.10041 0.00026  48  PRO A CD  
207  N N   . GLU A 50  ? 0.21626 0.47175 0.40520 -0.12577 -0.03979 0.03781  49  GLU A N   
208  C CA  . GLU A 50  ? 0.17452 0.46000 0.38515 -0.11475 -0.01472 0.04824  49  GLU A CA  
209  C C   . GLU A 50  ? 0.26688 0.49866 0.43976 -0.10045 0.00172  0.04606  49  GLU A C   
210  O O   . GLU A 50  ? 0.20696 0.45074 0.38036 -0.07808 0.01801  0.04610  49  GLU A O   
211  C CB  . GLU A 50  ? 0.21071 0.51524 0.44298 -0.13622 -0.00730 0.05679  49  GLU A CB  
212  C CG  . GLU A 50  ? 0.36105 0.70983 0.62972 -0.15196 -0.02149 0.05828  49  GLU A CG  
213  C CD  . GLU A 50  ? 0.47170 0.80909 0.73494 -0.17000 -0.05252 0.04922  49  GLU A CD  
214  O OE1 . GLU A 50  ? 0.32729 0.60727 0.55758 -0.18779 -0.06314 0.04105  49  GLU A OE1 
215  O OE2 . GLU A 50  ? 0.48054 0.86416 0.77056 -0.16615 -0.06709 0.04858  49  GLU A OE2 
216  N N   . ASN A 51  ? 0.19903 0.37159 0.34079 -0.11227 -0.00347 0.04262  50  ASN A N   
217  C CA  . ASN A 51  ? 0.24297 0.37266 0.35577 -0.09762 0.00941  0.04300  50  ASN A CA  
218  C C   . ASN A 51  ? 0.26502 0.38154 0.35890 -0.06937 0.01088  0.03354  50  ASN A C   
219  O O   . ASN A 51  ? 0.21456 0.32811 0.30191 -0.05350 0.02350  0.03511  50  ASN A O   
220  C CB  . ASN A 51  ? 0.24484 0.31550 0.33618 -0.11189 0.00328  0.04207  50  ASN A CB  
221  C CG  . ASN A 51  ? 0.37605 0.44674 0.48127 -0.13668 0.00775  0.06029  50  ASN A CG  
222  O OD1 . ASN A 51  ? 0.35077 0.45990 0.46787 -0.13656 0.02214  0.07450  50  ASN A OD1 
223  N ND2 . ASN A 51  ? 0.31603 0.34323 0.41825 -0.15948 -0.00437 0.06001  50  ASN A ND2 
224  N N   . LEU A 52  ? 0.21046 0.32007 0.29364 -0.06568 -0.00300 0.02487  51  LEU A N   
225  C CA  . LEU A 52  ? 0.21262 0.31220 0.27842 -0.04240 -0.00110 0.02183  51  LEU A CA  
226  C C   . LEU A 52  ? 0.17491 0.30848 0.26485 -0.02531 0.00575  0.02763  51  LEU A C   
227  O O   . LEU A 52  ? 0.18506 0.30305 0.26627 -0.00899 0.01448  0.02781  51  LEU A O   
228  C CB  . LEU A 52  ? 0.20249 0.29622 0.24779 -0.04363 -0.01779 0.01496  51  LEU A CB  
229  C CG  . LEU A 52  ? 0.30065 0.38067 0.32170 -0.02350 -0.01429 0.01678  51  LEU A CG  
230  C CD1 . LEU A 52  ? 0.29909 0.34003 0.29579 -0.01840 -0.00058 0.01135  51  LEU A CD1 
231  C CD2 . LEU A 52  ? 0.32731 0.41674 0.32651 -0.02470 -0.03232 0.01503  51  LEU A CD2 
232  N N   . SER A 53  ? 0.21845 0.39877 0.34230 -0.02880 0.00198  0.03138  52  SER A N   
233  C CA  A SER A 53  ? 0.19816 0.40958 0.34898 -0.00754 0.01038  0.03320  52  SER A CA  
234  C CA  B SER A 53  ? 0.19865 0.40986 0.34933 -0.00748 0.01039  0.03319  52  SER A CA  
235  C C   . SER A 53  ? 0.19244 0.39699 0.33917 -0.00230 0.03088  0.02895  52  SER A C   
236  O O   . SER A 53  ? 0.21521 0.40939 0.36093 0.01757  0.03836  0.02359  52  SER A O   
237  C CB  A SER A 53  ? 0.25188 0.52487 0.44681 -0.01115 0.00449  0.03794  52  SER A CB  
238  C CB  B SER A 53  ? 0.25131 0.52413 0.44624 -0.01059 0.00450  0.03792  52  SER A CB  
239  O OG  A SER A 53  ? 0.20148 0.50564 0.42654 0.01364  0.01682  0.03643  52  SER A OG  
240  O OG  B SER A 53  ? 0.24696 0.53373 0.44892 -0.00527 -0.01723 0.04293  52  SER A OG  
241  N N   . LYS A 54  ? 0.15752 0.36550 0.29971 -0.02164 0.03830  0.03198  53  LYS A N   
242  C CA  . LYS A 54  ? 0.15341 0.35922 0.28375 -0.01926 0.05507  0.03002  53  LYS A CA  
243  C C   . LYS A 54  ? 0.21960 0.37815 0.31992 -0.01078 0.05424  0.02584  53  LYS A C   
244  O O   . LYS A 54  ? 0.20413 0.35970 0.29703 0.00008  0.06283  0.01820  53  LYS A O   
245  C CB  . LYS A 54  ? 0.23047 0.44823 0.35948 -0.04411 0.06032  0.04183  53  LYS A CB  
246  C CG  . LYS A 54  ? 0.42986 0.62873 0.53035 -0.04437 0.07007  0.04336  53  LYS A CG  
247  C CD  . LYS A 54  ? 0.35971 0.58806 0.46176 -0.04269 0.08294  0.04045  53  LYS A CD  
248  C CE  . LYS A 54  ? 0.50240 0.71860 0.57226 -0.03898 0.08983  0.03830  53  LYS A CE  
249  N NZ  . LYS A 54  ? 0.54705 0.78552 0.61474 -0.02286 0.10275  0.02092  53  LYS A NZ  
250  N N   . LEU A 55  ? 0.18032 0.30452 0.26443 -0.01584 0.04405  0.02879  54  LEU A N   
251  C CA  . LEU A 55  ? 0.21013 0.30062 0.27404 -0.00762 0.04462  0.02694  54  LEU A CA  
252  C C   . LEU A 55  ? 0.18712 0.27398 0.25522 0.00865  0.04471  0.02209  54  LEU A C   
253  O O   . LEU A 55  ? 0.20039 0.27390 0.26209 0.01351  0.04904  0.01875  54  LEU A O   
254  C CB  . LEU A 55  ? 0.20941 0.27079 0.25772 -0.01223 0.03734  0.02838  54  LEU A CB  
255  C CG  . LEU A 55  ? 0.16998 0.20695 0.20386 -0.00330 0.04050  0.02833  54  LEU A CG  
256  C CD1 . LEU A 55  ? 0.24374 0.28066 0.27753 -0.00394 0.04592  0.03256  54  LEU A CD1 
257  C CD2 . LEU A 55  ? 0.23053 0.24292 0.24899 -0.00471 0.03711  0.02524  54  LEU A CD2 
258  N N   . LYS A 56  ? 0.18930 0.28622 0.26908 0.01574  0.03739  0.02369  55  LYS A N   
259  C CA  . LYS A 56  ? 0.19547 0.28181 0.28115 0.03175  0.03603  0.02429  55  LYS A CA  
260  C C   . LYS A 56  ? 0.18011 0.27363 0.28062 0.04230  0.04549  0.01351  55  LYS A C   
261  O O   . LYS A 56  ? 0.25412 0.32195 0.35227 0.04995  0.04714  0.00916  55  LYS A O   
262  C CB  . LYS A 56  ? 0.22398 0.32436 0.32082 0.03930  0.02354  0.03264  55  LYS A CB  
263  C CG  . LYS A 56  ? 0.30312 0.39689 0.37673 0.02865  0.01332  0.03808  55  LYS A CG  
264  C CD  . LYS A 56  ? 0.36691 0.48282 0.44743 0.03318  -0.00349 0.04686  55  LYS A CD  
265  C CE  . LYS A 56  ? 0.42892 0.54186 0.52475 0.05370  -0.00700 0.05869  55  LYS A CE  
266  N NZ  . LYS A 56  ? 0.61204 0.73551 0.69612 0.05662  -0.02601 0.07444  55  LYS A NZ  
267  N N   . SER A 57  ? 0.19082 0.31962 0.30622 0.04151  0.05260  0.00784  56  SER A N   
268  C CA  . SER A 57  ? 0.16703 0.30713 0.29129 0.05389  0.06521  -0.00758 56  SER A CA  
269  C C   . SER A 57  ? 0.23380 0.35229 0.33047 0.04545  0.07088  -0.01684 56  SER A C   
270  O O   . SER A 57  ? 0.25404 0.35600 0.34704 0.05528  0.07517  -0.03324 56  SER A O   
271  C CB  . SER A 57  ? 0.30950 0.50344 0.45471 0.05266  0.07535  -0.00918 56  SER A CB  
272  O OG  . SER A 57  ? 0.43923 0.64212 0.57710 0.05813  0.09101  -0.02580 56  SER A OG  
273  N N   . LEU A 58  ? 0.18710 0.30389 0.26516 0.02758  0.06879  -0.00705 57  LEU A N   
274  C CA  . LEU A 58  ? 0.22914 0.33077 0.28429 0.02014  0.06926  -0.01156 57  LEU A CA  
275  C C   . LEU A 58  ? 0.23471 0.30108 0.28856 0.02305  0.06146  -0.01314 57  LEU A C   
276  O O   . LEU A 58  ? 0.25218 0.30619 0.29770 0.02188  0.06092  -0.02582 57  LEU A O   
277  C CB  . LEU A 58  ? 0.25838 0.36411 0.30000 0.00461  0.06667  0.00388  57  LEU A CB  
278  C CG  . LEU A 58  ? 0.27517 0.41349 0.31460 -0.00514 0.07477  0.01059  57  LEU A CG  
279  C CD1 . LEU A 58  ? 0.28686 0.41377 0.31767 -0.01940 0.06864  0.03044  57  LEU A CD1 
280  C CD2 . LEU A 58  ? 0.29864 0.45936 0.32023 -0.00424 0.08496  -0.00169 57  LEU A CD2 
281  N N   . LEU A 59  ? 0.22549 0.27721 0.28559 0.02408  0.05522  -0.00033 58  LEU A N   
282  C CA  . LEU A 59  ? 0.22765 0.25203 0.28820 0.02364  0.05066  0.00272  58  LEU A CA  
283  C C   . LEU A 59  ? 0.22623 0.23018 0.29813 0.03387  0.05007  -0.00748 58  LEU A C   
284  O O   . LEU A 59  ? 0.24956 0.22838 0.32183 0.02813  0.04670  -0.01078 58  LEU A O   
285  C CB  . LEU A 59  ? 0.24939 0.26629 0.30867 0.02324  0.04727  0.01912  58  LEU A CB  
286  C CG  . LEU A 59  ? 0.30560 0.32956 0.35404 0.01668  0.04820  0.02622  58  LEU A CG  
287  C CD1 . LEU A 59  ? 0.37330 0.39022 0.41533 0.01958  0.04707  0.03617  58  LEU A CD1 
288  C CD2 . LEU A 59  ? 0.39156 0.41510 0.43986 0.01015  0.04918  0.02717  58  LEU A CD2 
289  N N   . THR A 60  ? 0.21250 0.22612 0.29799 0.04898  0.05244  -0.01216 59  THR A N   
290  C CA  . THR A 60  ? 0.25061 0.23862 0.35105 0.06453  0.05191  -0.02218 59  THR A CA  
291  C C   . THR A 60  ? 0.28618 0.25953 0.37647 0.06191  0.05659  -0.04859 59  THR A C   
292  O O   . THR A 60  ? 0.35130 0.28374 0.44716 0.06575  0.05281  -0.05875 59  THR A O   
293  C CB  . THR A 60  ? 0.27664 0.29015 0.40001 0.08518  0.05449  -0.02270 59  THR A CB  
294  O OG1 . THR A 60  ? 0.32314 0.34243 0.45305 0.08627  0.04409  0.00158  59  THR A OG1 
295  C CG2 . THR A 60  ? 0.40315 0.39042 0.54607 0.10833  0.05663  -0.03802 59  THR A CG2 
296  N N   . GLN A 61  ? 0.30540 0.30910 0.37770 0.05325  0.06323  -0.05921 60  GLN A N   
297  C CA  . GLN A 61  ? 0.36300 0.35993 0.41594 0.04903  0.06624  -0.08623 60  GLN A CA  
298  C C   . GLN A 61  ? 0.30141 0.27909 0.34063 0.02727  0.05434  -0.08444 60  GLN A C   
299  O O   . GLN A 61  ? 0.37002 0.33324 0.39356 0.02073  0.05108  -0.10887 60  GLN A O   
300  C CB  . GLN A 61  ? 0.39096 0.43428 0.42462 0.04651  0.07764  -0.09381 60  GLN A CB  
301  C CG  . GLN A 61  ? 0.50567 0.58207 0.55569 0.06567  0.09295  -0.10033 60  GLN A CG  
302  C CD  . GLN A 61  ? 0.58264 0.71069 0.62123 0.05426  0.10233  -0.08810 60  GLN A CD  
303  O OE1 . GLN A 61  ? 0.49106 0.64640 0.55111 0.05448  0.10484  -0.06982 60  GLN A OE1 
304  N NE2 . GLN A 61  ? 0.58871 0.72971 0.59225 0.04141  0.10532  -0.09609 60  GLN A NE2 
305  N N   . LEU A 62  ? 0.28421 0.34795 0.30839 0.01661  0.06765  -0.00632 61  LEU A N   
306  C CA  . LEU A 62  ? 0.27718 0.31928 0.28351 0.01345  0.06168  -0.00810 61  LEU A CA  
307  C C   . LEU A 62  ? 0.32886 0.35594 0.33452 0.02181  0.06052  -0.01607 61  LEU A C   
308  O O   . LEU A 62  ? 0.39127 0.41709 0.41089 0.02878  0.05908  -0.01582 61  LEU A O   
309  C CB  . LEU A 62  ? 0.23824 0.27248 0.24454 0.00654  0.05218  -0.00052 61  LEU A CB  
310  C CG  . LEU A 62  ? 0.28828 0.30388 0.28034 0.00395  0.04532  -0.00078 61  LEU A CG  
311  C CD1 . LEU A 62  ? 0.28064 0.29524 0.25580 -0.00170 0.04712  0.00118  61  LEU A CD1 
312  C CD2 . LEU A 62  ? 0.28292 0.29287 0.28003 0.00028  0.03775  0.00494  61  LEU A CD2 
313  N N   . ARG A 63  ? 0.30138 0.31710 0.29029 0.02049  0.06097  -0.02277 62  ARG A N   
314  C CA  . ARG A 63  ? 0.29557 0.29406 0.28172 0.02484  0.05891  -0.03076 62  ARG A CA  
315  C C   . ARG A 63  ? 0.31266 0.29955 0.28613 0.01783  0.05032  -0.02986 62  ARG A C   
316  O O   . ARG A 63  ? 0.29941 0.29072 0.26263 0.01158  0.04756  -0.02495 62  ARG A O   
317  C CB  . ARG A 63  ? 0.34687 0.34336 0.32566 0.02990  0.06795  -0.04315 62  ARG A CB  
318  C CG  . ARG A 63  ? 0.39663 0.40870 0.38727 0.03793  0.07854  -0.04512 62  ARG A CG  
319  C CD  . ARG A 63  ? 0.52207 0.53692 0.49819 0.03948  0.08869  -0.05708 62  ARG A CD  
320  N NE  . ARG A 63  ? 0.52405 0.54688 0.48090 0.02919  0.08791  -0.05414 62  ARG A NE  
321  C CZ  . ARG A 63  ? 0.51127 0.54230 0.45200 0.02779  0.09642  -0.06131 62  ARG A CZ  
322  N NH1 . ARG A 63  ? 0.51123 0.54355 0.45266 0.03625  0.10742  -0.07404 62  ARG A NH1 
323  N NH2 . ARG A 63  ? 0.59144 0.62891 0.51401 0.01820  0.09415  -0.05541 62  ARG A NH2 
324  N N   . ALA A 64  ? 0.29652 0.26890 0.27160 0.01912  0.04634  -0.03405 63  ALA A N   
325  C CA  . ALA A 64  ? 0.29884 0.26376 0.26506 0.01285  0.03844  -0.03394 63  ALA A CA  
326  C C   . ALA A 64  ? 0.31912 0.28795 0.26718 0.00812  0.03829  -0.03855 63  ALA A C   
327  O O   . ALA A 64  ? 0.27157 0.24329 0.21249 0.00344  0.03177  -0.03324 63  ALA A O   
328  C CB  . ALA A 64  ? 0.32536 0.27535 0.29592 0.01355  0.03623  -0.03933 63  ALA A CB  
329  N N   . GLU A 65  ? 0.32932 0.29917 0.26915 0.01000  0.04556  -0.04813 64  GLU A N   
330  C CA  . GLU A 65  ? 0.34062 0.31553 0.26012 0.00487  0.04499  -0.05281 64  GLU A CA  
331  C C   . GLU A 65  ? 0.33164 0.31952 0.24349 0.00180  0.04471  -0.04185 64  GLU A C   
332  O O   . GLU A 65  ? 0.34321 0.33517 0.23850 -0.00295 0.04035  -0.04038 64  GLU A O   
333  C CB  . GLU A 65  ? 0.41767 0.39106 0.32786 0.00751  0.05426  -0.06691 64  GLU A CB  
334  C CG  . GLU A 65  ? 0.36113 0.34146 0.28172 0.01530  0.06551  -0.06730 64  GLU A CG  
335  C CD  . GLU A 65  ? 0.47226 0.43944 0.40884 0.02375  0.06948  -0.07368 64  GLU A CD  
336  O OE1 . GLU A 65  ? 0.52739 0.48535 0.47710 0.02450  0.06309  -0.06761 64  GLU A OE1 
337  O OE2 . GLU A 65  ? 0.64215 0.60790 0.57734 0.03017  0.07954  -0.08458 64  GLU A OE2 
338  N N   . ASP A 66  ? 0.31466 0.30910 0.23811 0.00379  0.04875  -0.03348 65  ASP A N   
339  C CA  . ASP A 66  ? 0.32094 0.32408 0.23809 -0.00080 0.04865  -0.02212 65  ASP A CA  
340  C C   . ASP A 66  ? 0.24835 0.24492 0.16408 -0.00396 0.03822  -0.01296 65  ASP A C   
341  O O   . ASP A 66  ? 0.27469 0.27366 0.18185 -0.00772 0.03677  -0.00324 65  ASP A O   
342  C CB  . ASP A 66  ? 0.28080 0.29286 0.21308 0.00016  0.05480  -0.01620 65  ASP A CB  
343  C CG  . ASP A 66  ? 0.37042 0.39329 0.30697 0.00496  0.06624  -0.02413 65  ASP A CG  
344  O OD1 . ASP A 66  ? 0.44775 0.47484 0.36863 0.00451  0.07202  -0.03088 65  ASP A OD1 
345  O OD2 . ASP A 66  ? 0.42152 0.44982 0.37708 0.00979  0.06942  -0.02379 65  ASP A OD2 
346  N N   . LEU A 67  ? 0.24661 0.23461 0.17099 -0.00216 0.03171  -0.01540 66  LEU A N   
347  C CA  . LEU A 67  ? 0.22492 0.20817 0.15048 -0.00339 0.02277  -0.00838 66  LEU A CA  
348  C C   . LEU A 67  ? 0.25372 0.23641 0.17164 -0.00447 0.01599  -0.01354 66  LEU A C   
349  O O   . LEU A 67  ? 0.23867 0.21996 0.16037 -0.00422 0.00859  -0.00898 66  LEU A O   
350  C CB  . LEU A 67  ? 0.22857 0.20623 0.17136 -0.00127 0.02104  -0.00621 66  LEU A CB  
351  C CG  . LEU A 67  ? 0.23962 0.22078 0.19155 -0.00132 0.02623  -0.00174 66  LEU A CG  
352  C CD1 . LEU A 67  ? 0.26191 0.23851 0.22741 0.00012  0.02289  0.00010  66  LEU A CD1 
353  C CD2 . LEU A 67  ? 0.26637 0.24935 0.21098 -0.00565 0.02682  0.00729  66  LEU A CD2 
354  N N   . ASN A 68  ? 0.23931 0.22428 0.14704 -0.00588 0.01855  -0.02368 67  ASN A N   
355  C CA  . ASN A 68  ? 0.26563 0.25152 0.16637 -0.00902 0.01203  -0.03111 67  ASN A CA  
356  C C   . ASN A 68  ? 0.28058 0.25986 0.19689 -0.00910 0.00778  -0.03368 67  ASN A C   
357  O O   . ASN A 68  ? 0.28857 0.27219 0.20495 -0.01205 -0.00008 -0.03414 67  ASN A O   
358  C CB  . ASN A 68  ? 0.26197 0.25706 0.14994 -0.01103 0.00399  -0.02353 67  ASN A CB  
359  C CG  . ASN A 68  ? 0.30849 0.31049 0.17684 -0.01258 0.00806  -0.02132 67  ASN A CG  
360  O OD1 . ASN A 68  ? 0.30280 0.30627 0.16732 -0.01172 0.00866  -0.00888 67  ASN A OD1 
361  N ND2 . ASN A 68  ? 0.32969 0.33512 0.18413 -0.01559 0.01133  -0.03357 67  ASN A ND2 
362  N N   . ILE A 69  ? 0.25007 0.22092 0.17982 -0.00604 0.01291  -0.03466 68  ILE A N   
363  C CA  . ILE A 69  ? 0.24323 0.20711 0.18645 -0.00656 0.01030  -0.03582 68  ILE A CA  
364  C C   . ILE A 69  ? 0.31279 0.26561 0.25701 -0.00740 0.01494  -0.04708 68  ILE A C   
365  O O   . ILE A 69  ? 0.33153 0.27856 0.27891 -0.00251 0.02229  -0.04924 68  ILE A O   
366  C CB  . ILE A 69  ? 0.22222 0.18385 0.17852 -0.00260 0.01158  -0.02701 68  ILE A CB  
367  C CG1 . ILE A 69  ? 0.24962 0.21768 0.20433 -0.00204 0.00740  -0.01739 68  ILE A CG1 
368  C CG2 . ILE A 69  ? 0.33500 0.29016 0.30257 -0.00364 0.00983  -0.02780 68  ILE A CG2 
369  C CD1 . ILE A 69  ? 0.24045 0.20598 0.20534 0.00045  0.00857  -0.01056 68  ILE A CD1 
370  N N   . ALA A 70  ? 0.34157 0.29136 0.28439 -0.01346 0.01078  -0.05409 69  ALA A N   
371  C CA  . ALA A 70  ? 0.37365 0.30792 0.31711 -0.01496 0.01557  -0.06515 69  ALA A CA  
372  C C   . ALA A 70  ? 0.31820 0.24087 0.27741 -0.01256 0.01738  -0.05994 69  ALA A C   
373  O O   . ALA A 70  ? 0.31855 0.24668 0.28603 -0.01444 0.01271  -0.05188 69  ALA A O   
374  C CB  . ALA A 70  ? 0.37338 0.30730 0.30908 -0.02475 0.01051  -0.07575 69  ALA A CB  
375  N N   . PRO A 71  ? 0.35203 0.25937 0.31529 -0.00761 0.02431  -0.06371 70  PRO A N   
376  C CA  . PRO A 71  ? 0.32134 0.21726 0.29780 -0.00540 0.02528  -0.05700 70  PRO A CA  
377  C C   . PRO A 71  ? 0.36283 0.25292 0.34205 -0.01543 0.02080  -0.05849 70  PRO A C   
378  O O   . PRO A 71  ? 0.36640 0.25251 0.33874 -0.02358 0.01915  -0.06904 70  PRO A O   
379  C CB  . PRO A 71  ? 0.34129 0.22019 0.31977 0.00211  0.03324  -0.06257 70  PRO A CB  
380  C CG  . PRO A 71  ? 0.43474 0.32449 0.40480 0.00702  0.03754  -0.06782 70  PRO A CG  
381  C CD  . PRO A 71  ? 0.42620 0.32694 0.38276 -0.00221 0.03212  -0.07300 70  PRO A CD  
382  N N   . ARG A 72  ? 0.29598 0.18836 0.28491 -0.01589 0.01871  -0.04806 71  ARG A N   
383  C CA  . ARG A 72  ? 0.32560 0.21532 0.31952 -0.02566 0.01576  -0.04750 71  ARG A CA  
384  C C   . ARG A 72  ? 0.35343 0.22090 0.35330 -0.02537 0.02037  -0.04462 71  ARG A C   
385  O O   . ARG A 72  ? 0.37070 0.23338 0.37478 -0.01630 0.02331  -0.03634 71  ARG A O   
386  C CB  . ARG A 72  ? 0.29159 0.20016 0.29129 -0.02650 0.01138  -0.03792 71  ARG A CB  
387  C CG  . ARG A 72  ? 0.32833 0.25546 0.32234 -0.02502 0.00685  -0.03900 71  ARG A CG  
388  C CD  . ARG A 72  ? 0.29362 0.23744 0.29375 -0.02529 0.00278  -0.03164 71  ARG A CD  
389  N NE  . ARG A 72  ? 0.25543 0.21341 0.24962 -0.02288 -0.00172 -0.03182 71  ARG A NE  
390  C CZ  . ARG A 72  ? 0.26390 0.23550 0.26200 -0.02012 -0.00521 -0.02580 71  ARG A CZ  
391  N NH1 . ARG A 72  ? 0.26966 0.24458 0.27710 -0.01961 -0.00410 -0.02055 71  ARG A NH1 
392  N NH2 . ARG A 72  ? 0.30505 0.28647 0.29675 -0.01729 -0.00943 -0.02480 71  ARG A NH2 
393  N N   . LYS A 73  ? 0.34252 0.19622 0.34255 -0.03564 0.02066  -0.05108 72  LYS A N   
394  C CA  . LYS A 73  ? 0.34209 0.17040 0.34681 -0.03650 0.02523  -0.04749 72  LYS A CA  
395  C C   . LYS A 73  ? 0.33952 0.17164 0.35105 -0.04796 0.02325  -0.04040 72  LYS A C   
396  O O   . LYS A 73  ? 0.35896 0.21304 0.37252 -0.05553 0.01858  -0.04137 72  LYS A O   
397  C CB  . LYS A 73  ? 0.37106 0.17934 0.36972 -0.03801 0.02723  -0.05937 72  LYS A CB  
398  C CG  . LYS A 73  ? 0.38713 0.19496 0.37901 -0.02643 0.03067  -0.06707 72  LYS A CG  
399  C CD  . LYS A 73  ? 0.44577 0.23474 0.43184 -0.02530 0.03289  -0.07768 72  LYS A CD  
400  C CE  . LYS A 73  ? 0.51523 0.30671 0.49569 -0.01291 0.03780  -0.08462 72  LYS A CE  
401  N NZ  . LYS A 73  ? 0.50982 0.28339 0.48394 -0.01083 0.04071  -0.09640 72  LYS A NZ  
402  N N   . ALA A 74  ? 0.36311 0.17781 0.37829 -0.04766 0.02616  -0.03150 73  ALA A N   
403  C CA  . ALA A 74  ? 0.36244 0.18234 0.38365 -0.05755 0.02589  -0.02206 73  ALA A CA  
404  C C   . ALA A 74  ? 0.38803 0.21265 0.41140 -0.07389 0.02312  -0.03037 73  ALA A C   
405  O O   . ALA A 74  ? 0.41370 0.22766 0.43268 -0.07755 0.02151  -0.04139 73  ALA A O   
406  C CB  . ALA A 74  ? 0.39937 0.20125 0.42098 -0.05334 0.02805  -0.00961 73  ALA A CB  
407  N N   . THR A 75  ? 0.35652 0.19970 0.38739 -0.08377 0.02262  -0.02512 74  THR A N   
408  C CA  . THR A 75  ? 0.39914 0.25212 0.43563 -0.09982 0.01967  -0.03057 74  THR A CA  
409  C C   . THR A 75  ? 0.37423 0.21045 0.41368 -0.10763 0.02179  -0.02326 74  THR A C   
410  O O   . THR A 75  ? 0.42025 0.25736 0.46375 -0.12058 0.01931  -0.02931 74  THR A O   
411  C CB  . THR A 75  ? 0.43073 0.31753 0.47658 -0.10577 0.01804  -0.02809 74  THR A CB  
412  O OG1 . THR A 75  ? 0.42439 0.31489 0.47419 -0.10395 0.02272  -0.01377 74  THR A OG1 
413  C CG2 . THR A 75  ? 0.42518 0.33303 0.46730 -0.09271 0.01305  -0.03096 74  THR A CG2 
414  N N   . LEU A 76  ? 0.38050 0.20277 0.41807 -0.10058 0.02569  -0.00991 75  LEU A N   
415  C CA  . LEU A 76  ? 0.35509 0.16332 0.39503 -0.10801 0.02775  0.00040  75  LEU A CA  
416  C C   . LEU A 76  ? 0.40417 0.23605 0.45440 -0.12259 0.02881  0.00505  75  LEU A C   
417  O O   . LEU A 76  ? 0.45057 0.27402 0.50484 -0.13235 0.03042  0.01202  75  LEU A O   
418  C CB  . LEU A 76  ? 0.39682 0.17730 0.43422 -0.11230 0.02629  -0.00664 75  LEU A CB  
419  C CG  . LEU A 76  ? 0.44047 0.19915 0.46901 -0.09727 0.02629  -0.01258 75  LEU A CG  
420  C CD1 . LEU A 76  ? 0.42693 0.15622 0.45310 -0.10153 0.02586  -0.01898 75  LEU A CD1 
421  C CD2 . LEU A 76  ? 0.50237 0.25584 0.52738 -0.08178 0.02862  0.00079  75  LEU A CD2 
422  N N   . GLN A 77  ? 0.36941 0.23144 0.42503 -0.12398 0.02822  0.00159  76  GLN A N   
423  C CA  . GLN A 77  ? 0.45179 0.34178 0.51893 -0.13522 0.03012  0.00609  76  GLN A CA  
424  C C   . GLN A 77  ? 0.42152 0.32817 0.48770 -0.12800 0.03492  0.01632  76  GLN A C   
425  O O   . GLN A 77  ? 0.41505 0.31916 0.47425 -0.11575 0.03491  0.01566  76  GLN A O   
426  C CB  . GLN A 77  ? 0.46600 0.38344 0.54216 -0.14272 0.02488  -0.00669 76  GLN A CB  
427  C CG  . GLN A 77  ? 0.46832 0.37185 0.54225 -0.14901 0.01928  -0.01933 76  GLN A CG  
428  C CD  . GLN A 77  ? 0.56285 0.44595 0.63968 -0.16015 0.02093  -0.01601 76  GLN A CD  
429  O OE1 . GLN A 77  ? 0.60840 0.50308 0.69529 -0.16925 0.02441  -0.00723 76  GLN A OE1 
430  N NE2 . GLN A 77  ? 0.53362 0.38627 0.60190 -0.15936 0.01900  -0.02318 76  GLN A NE2 
431  N N   . PRO A 78  ? 0.39914 0.32315 0.47200 -0.13506 0.03966  0.02557  77  PRO A N   
432  C CA  . PRO A 78  ? 0.32788 0.27012 0.39794 -0.12841 0.04473  0.03348  77  PRO A CA  
433  C C   . PRO A 78  ? 0.39152 0.36203 0.46629 -0.11999 0.04068  0.02416  77  PRO A C   
434  O O   . PRO A 78  ? 0.42967 0.41385 0.51328 -0.12437 0.03558  0.01369  77  PRO A O   
435  C CB  . PRO A 78  ? 0.44081 0.40067 0.51923 -0.13853 0.05052  0.04219  77  PRO A CB  
436  C CG  . PRO A 78  ? 0.53075 0.47302 0.61491 -0.14980 0.04889  0.04197  77  PRO A CG  
437  C CD  . PRO A 78  ? 0.43951 0.37023 0.52345 -0.14963 0.04121  0.02791  77  PRO A CD  
438  N N   . LEU A 79  ? 0.33217 0.31173 0.40023 -0.10591 0.04143  0.02839  78  LEU A N   
439  C CA  . LEU A 79  ? 0.29928 0.30316 0.37113 -0.09486 0.03724  0.02118  78  LEU A CA  
440  C C   . LEU A 79  ? 0.36288 0.40072 0.44713 -0.09893 0.04157  0.02186  78  LEU A C   
441  O O   . LEU A 79  ? 0.32273 0.36664 0.40382 -0.09994 0.04886  0.02985  78  LEU A O   
442  C CB  . LEU A 79  ? 0.34646 0.34276 0.40573 -0.07906 0.03619  0.02389  78  LEU A CB  
443  C CG  . LEU A 79  ? 0.40118 0.41641 0.46201 -0.06703 0.03279  0.01788  78  LEU A CG  
444  C CD1 . LEU A 79  ? 0.34283 0.35453 0.40531 -0.06395 0.02532  0.00925  78  LEU A CD1 
445  C CD2 . LEU A 79  ? 0.40383 0.41277 0.45226 -0.05557 0.03368  0.02178  78  LEU A CD2 
446  N N   . PRO A 80  ? 0.32435 0.38664 0.42273 -0.10092 0.03756  0.01405  79  PRO A N   
447  C CA  . PRO A 80  ? 0.32301 0.42122 0.43678 -0.10380 0.04233  0.01465  79  PRO A CA  
448  C C   . PRO A 80  ? 0.24565 0.35531 0.35465 -0.08797 0.04588  0.01595  79  PRO A C   
449  O O   . PRO A 80  ? 0.29835 0.39322 0.39559 -0.07491 0.04177  0.01405  79  PRO A O   
450  C CB  . PRO A 80  ? 0.30495 0.42527 0.43414 -0.10614 0.03439  0.00583  79  PRO A CB  
451  C CG  . PRO A 80  ? 0.32401 0.41735 0.44353 -0.10848 0.02660  0.00050  79  PRO A CG  
452  C CD  . PRO A 80  ? 0.34147 0.40270 0.44204 -0.09890 0.02830  0.00462  79  PRO A CD  
453  N N   . PRO A 81  ? 0.27836 0.41433 0.39615 -0.08924 0.05407  0.01840  80  PRO A N   
454  C CA  . PRO A 81  ? 0.31184 0.45489 0.42215 -0.07492 0.05900  0.01834  80  PRO A CA  
455  C C   . PRO A 81  ? 0.26181 0.41240 0.37596 -0.05869 0.05295  0.01075  80  PRO A C   
456  O O   . PRO A 81  ? 0.30041 0.44460 0.40364 -0.04634 0.05488  0.00934  80  PRO A O   
457  C CB  . PRO A 81  ? 0.37408 0.54783 0.49598 -0.08119 0.06999  0.02099  80  PRO A CB  
458  C CG  . PRO A 81  ? 0.38772 0.56345 0.51894 -0.10128 0.07162  0.02574  80  PRO A CG  
459  C CD  . PRO A 81  ? 0.33486 0.49491 0.46916 -0.10488 0.06021  0.02092  80  PRO A CD  
460  N N   . ASN A 82  ? 0.21816 0.38190 0.34672 -0.05881 0.04555  0.00614  81  ASN A N   
461  C CA  . ASN A 82  ? 0.16556 0.33728 0.29830 -0.04304 0.03983  0.00113  81  ASN A CA  
462  C C   . ASN A 82  ? 0.24274 0.38625 0.36052 -0.03689 0.03120  -0.00036 81  ASN A C   
463  O O   . ASN A 82  ? 0.32436 0.46905 0.44215 -0.02388 0.02668  -0.00294 81  ASN A O   
464  C CB  . ASN A 82  ? 0.23547 0.44010 0.39146 -0.04473 0.03520  -0.00173 81  ASN A CB  
465  C CG  . ASN A 82  ? 0.37511 0.57555 0.53384 -0.05885 0.02688  -0.00309 81  ASN A CG  
466  O OD1 . ASN A 82  ? 0.28688 0.47041 0.43892 -0.07321 0.02925  -0.00106 81  ASN A OD1 
467  N ND2 . ASN A 82  ? 0.27317 0.48814 0.44085 -0.05473 0.01697  -0.00658 81  ASN A ND2 
468  N N   . LEU A 83  ? 0.23521 0.35305 0.34043 -0.04532 0.02952  0.00169  82  LEU A N   
469  C CA  . LEU A 83  ? 0.19959 0.29520 0.29218 -0.03807 0.02261  -0.00020 82  LEU A CA  
470  C C   . LEU A 83  ? 0.21459 0.28817 0.29047 -0.03243 0.02597  0.00277  82  LEU A C   
471  O O   . LEU A 83  ? 0.21907 0.28588 0.28939 -0.03843 0.03159  0.00741  82  LEU A O   
472  C CB  . LEU A 83  ? 0.30623 0.38836 0.39634 -0.04813 0.01716  -0.00210 82  LEU A CB  
473  C CG  . LEU A 83  ? 0.51066 0.61501 0.61551 -0.05535 0.01170  -0.00636 82  LEU A CG  
474  C CD1 . LEU A 83  ? 0.46035 0.55011 0.56245 -0.06992 0.00925  -0.00933 82  LEU A CD1 
475  C CD2 . LEU A 83  ? 0.47971 0.59329 0.58527 -0.04393 0.00380  -0.00919 82  LEU A CD2 
476  N N   . PRO A 84  ? 0.27253 0.33522 0.34002 -0.02193 0.02215  0.00091  83  PRO A N   
477  C CA  . PRO A 84  ? 0.24067 0.28621 0.29381 -0.01768 0.02443  0.00304  83  PRO A CA  
478  C C   . PRO A 84  ? 0.22026 0.24598 0.26498 -0.02339 0.02283  0.00629  83  PRO A C   
479  O O   . PRO A 84  ? 0.24486 0.26414 0.29154 -0.02710 0.01869  0.00446  83  PRO A O   
480  C CB  . PRO A 84  ? 0.26093 0.30135 0.31012 -0.00684 0.02030  -0.00015 83  PRO A CB  
481  C CG  . PRO A 84  ? 0.23855 0.28403 0.29457 -0.00706 0.01395  -0.00196 83  PRO A CG  
482  C CD  . PRO A 84  ? 0.26910 0.33483 0.33925 -0.01462 0.01517  -0.00234 83  PRO A CD  
483  N N   . PRO A 85  ? 0.21022 0.22608 0.24501 -0.02341 0.02583  0.01083  84  PRO A N   
484  C CA  . PRO A 85  ? 0.20389 0.20107 0.23209 -0.02589 0.02410  0.01486  84  PRO A CA  
485  C C   . PRO A 85  ? 0.19854 0.18505 0.22236 -0.01963 0.01910  0.01189  84  PRO A C   
486  O O   . PRO A 85  ? 0.23272 0.20603 0.25488 -0.02081 0.01762  0.01294  84  PRO A O   
487  C CB  . PRO A 85  ? 0.27245 0.26748 0.29141 -0.02594 0.02774  0.02150  84  PRO A CB  
488  C CG  . PRO A 85  ? 0.29782 0.30584 0.31430 -0.02067 0.02982  0.01742  84  PRO A CG  
489  C CD  . PRO A 85  ? 0.27175 0.29463 0.30067 -0.02087 0.03094  0.01234  84  PRO A CD  
490  N N   . VAL A 86  ? 0.21881 0.20982 0.24071 -0.01300 0.01728  0.00837  85  VAL A N   
491  C CA  . VAL A 86  ? 0.17453 0.15674 0.19160 -0.00817 0.01355  0.00669  85  VAL A CA  
492  C C   . VAL A 86  ? 0.18177 0.17000 0.20169 -0.00396 0.01094  0.00253  85  VAL A C   
493  O O   . VAL A 86  ? 0.17925 0.17757 0.20332 -0.00146 0.01236  0.00113  85  VAL A O   
494  C CB  . VAL A 86  ? 0.20997 0.18825 0.21902 -0.00531 0.01398  0.00900  85  VAL A CB  
495  C CG1 . VAL A 86  ? 0.23468 0.20622 0.24061 -0.00208 0.01081  0.00784  85  VAL A CG1 
496  C CG2 . VAL A 86  ? 0.20110 0.17600 0.20715 -0.00840 0.01569  0.01516  85  VAL A CG2 
497  N N   . THR A 87  ? 0.19100 0.17370 0.20868 -0.00249 0.00746  0.00107  86  THR A N   
498  C CA  . THR A 87  ? 0.18068 0.16679 0.19835 0.00224  0.00440  -0.00043 86  THR A CA  
499  C C   . THR A 87  ? 0.16942 0.14528 0.17922 0.00483  0.00338  0.00053  86  THR A C   
500  O O   . THR A 87  ? 0.18018 0.14966 0.18664 0.00302  0.00454  0.00150  86  THR A O   
501  C CB  . THR A 87  ? 0.18551 0.17917 0.20722 0.00009  0.00060  -0.00248 86  THR A CB  
502  O OG1 . THR A 87  ? 0.21188 0.19753 0.22951 -0.00451 0.00024  -0.00427 86  THR A OG1 
503  C CG2 . THR A 87  ? 0.23518 0.24327 0.26747 -0.00344 0.00132  -0.00344 86  THR A CG2 
504  N N   . TYR A 88  ? 0.17776 0.15293 0.18565 0.00922  0.00131  0.00106  87  TYR A N   
505  C CA  . TYR A 88  ? 0.16629 0.13173 0.16714 0.01047  0.00107  0.00276  87  TYR A CA  
506  C C   . TYR A 88  ? 0.21523 0.18030 0.21280 0.01303  -0.00224 0.00497  87  TYR A C   
507  O O   . TYR A 88  ? 0.18216 0.15276 0.18329 0.01743  -0.00469 0.00593  87  TYR A O   
508  C CB  . TYR A 88  ? 0.19431 0.15376 0.19337 0.01269  0.00302  0.00222  87  TYR A CB  
509  C CG  . TYR A 88  ? 0.20367 0.15210 0.19626 0.01193  0.00269  0.00389  87  TYR A CG  
510  C CD1 . TYR A 88  ? 0.20243 0.14922 0.19240 0.00697  0.00345  0.00444  87  TYR A CD1 
511  C CD2 . TYR A 88  ? 0.21856 0.15866 0.20873 0.01609  0.00173  0.00569  87  TYR A CD2 
512  C CE1 . TYR A 88  ? 0.20455 0.14371 0.19012 0.00422  0.00359  0.00609  87  TYR A CE1 
513  C CE2 . TYR A 88  ? 0.20664 0.13466 0.19057 0.01342  0.00198  0.00808  87  TYR A CE2 
514  C CZ  . TYR A 88  ? 0.24615 0.17479 0.22808 0.00653  0.00308  0.00792  87  TYR A CZ  
515  O OH  . TYR A 88  ? 0.26257 0.18188 0.23989 0.00189  0.00375  0.01033  87  TYR A OH  
516  N N   . MET A 89  ? 0.17980 0.14029 0.17079 0.01068  -0.00220 0.00642  88  MET A N   
517  C CA  . MET A 89  ? 0.18922 0.14831 0.17349 0.01226  -0.00475 0.01015  88  MET A CA  
518  C C   . MET A 89  ? 0.20940 0.15696 0.18842 0.01190  -0.00292 0.01408  88  MET A C   
519  O O   . MET A 89  ? 0.22798 0.17326 0.20547 0.00747  0.00007  0.01355  88  MET A O   
520  C CB  . MET A 89  ? 0.17459 0.13801 0.15344 0.00870  -0.00480 0.00839  88  MET A CB  
521  C CG  . MET A 89  ? 0.18313 0.15520 0.16598 0.00676  -0.00671 0.00321  88  MET A CG  
522  S SD  . MET A 89  ? 0.22012 0.19166 0.19450 0.00264  -0.00443 -0.00145 88  MET A SD  
523  C CE  . MET A 89  ? 0.25240 0.23164 0.23016 -0.00125 -0.00816 -0.00820 88  MET A CE  
524  N N   . HIS A 90  ? 0.19399 0.13451 0.17121 0.01642  -0.00468 0.01821  89  HIS A N   
525  C CA  . HIS A 90  ? 0.21843 0.14448 0.18994 0.01451  -0.00281 0.02218  89  HIS A CA  
526  C C   . HIS A 90  ? 0.24784 0.17312 0.21009 0.01156  -0.00304 0.02833  89  HIS A C   
527  O O   . HIS A 90  ? 0.26448 0.19518 0.22236 0.01500  -0.00662 0.03219  89  HIS A O   
528  C CB  . HIS A 90  ? 0.21878 0.13255 0.19124 0.02109  -0.00367 0.02436  89  HIS A CB  
529  C CG  . HIS A 90  ? 0.29749 0.19262 0.26515 0.01698  -0.00085 0.02563  89  HIS A CG  
530  N ND1 . HIS A 90  ? 0.29880 0.19302 0.26707 0.00901  0.00205  0.02061  89  HIS A ND1 
531  C CD2 . HIS A 90  ? 0.31486 0.19141 0.27695 0.01863  -0.00080 0.03170  89  HIS A CD2 
532  C CE1 . HIS A 90  ? 0.36112 0.23804 0.32477 0.00462  0.00368  0.02223  89  HIS A CE1 
533  N NE2 . HIS A 90  ? 0.35585 0.21968 0.31537 0.01021  0.00249  0.02904  89  HIS A NE2 
534  N N   . ILE A 91  ? 0.19735 0.11786 0.15628 0.00472  0.00069  0.02961  90  ILE A N   
535  C CA  . ILE A 91  ? 0.19912 0.11941 0.14851 0.00079  0.00222  0.03611  90  ILE A CA  
536  C C   . ILE A 91  ? 0.27358 0.17606 0.21743 -0.00193 0.00337  0.04378  90  ILE A C   
537  O O   . ILE A 91  ? 0.27058 0.16712 0.20514 -0.00025 0.00194  0.05264  90  ILE A O   
538  C CB  . ILE A 91  ? 0.18022 0.11205 0.13105 -0.00533 0.00681  0.03244  90  ILE A CB  
539  C CG1 . ILE A 91  ? 0.22142 0.16572 0.17590 -0.00206 0.00581  0.02540  90  ILE A CG1 
540  C CG2 . ILE A 91  ? 0.20936 0.14228 0.14987 -0.01035 0.01028  0.03926  90  ILE A CG2 
541  C CD1 . ILE A 91  ? 0.22403 0.17814 0.18200 -0.00504 0.01065  0.02087  90  ILE A CD1 
542  N N   . TYR A 92  ? 0.22128 0.11426 0.16969 -0.00692 0.00574  0.04083  91  TYR A N   
543  C CA  . TYR A 92  ? 0.23132 0.10346 0.17434 -0.01094 0.00709  0.04715  91  TYR A CA  
544  C C   . TYR A 92  ? 0.26784 0.13009 0.21651 -0.01557 0.00832  0.03992  91  TYR A C   
545  O O   . TYR A 92  ? 0.25777 0.13337 0.21330 -0.01847 0.00872  0.03227  91  TYR A O   
546  C CB  . TYR A 92  ? 0.24925 0.12291 0.18546 -0.02064 0.01109  0.05461  91  TYR A CB  
547  C CG  . TYR A 92  ? 0.30850 0.15972 0.23489 -0.02213 0.01145  0.06589  91  TYR A CG  
548  C CD1 . TYR A 92  ? 0.34849 0.19546 0.26623 -0.01331 0.00784  0.07491  91  TYR A CD1 
549  C CD2 . TYR A 92  ? 0.32922 0.16273 0.25495 -0.03271 0.01486  0.06808  91  TYR A CD2 
550  C CE1 . TYR A 92  ? 0.44816 0.27245 0.35637 -0.01338 0.00782  0.08740  91  TYR A CE1 
551  C CE2 . TYR A 92  ? 0.41083 0.22200 0.32902 -0.03387 0.01543  0.07882  91  TYR A CE2 
552  C CZ  . TYR A 92  ? 0.45804 0.26638 0.36913 -0.02320 0.01189  0.08857  91  TYR A CZ  
553  O OH  . TYR A 92  ? 0.49265 0.28609 0.40219 -0.02236 0.01179  0.09911  91  TYR A OH  
554  N N   . GLU A 93  ? 0.30399 0.14174 0.24855 -0.01640 0.00880  0.04264  92  GLU A N   
555  C CA  . GLU A 93  ? 0.30693 0.13237 0.25357 -0.02421 0.01041  0.03528  92  GLU A CA  
556  C C   . GLU A 93  ? 0.37466 0.17196 0.31426 -0.03105 0.01257  0.04150  92  GLU A C   
557  O O   . GLU A 93  ? 0.35179 0.13826 0.28849 -0.02369 0.01162  0.05004  92  GLU A O   
558  C CB  . GLU A 93  ? 0.31083 0.13283 0.26117 -0.01583 0.00906  0.02546  92  GLU A CB  
559  C CG  . GLU A 93  ? 0.45355 0.24653 0.40000 -0.01022 0.00992  0.02462  92  GLU A CG  
560  C CD  . GLU A 93  ? 0.48096 0.26850 0.42656 0.00369  0.00793  0.03375  92  GLU A CD  
561  O OE1 . GLU A 93  ? 0.44587 0.25503 0.39401 0.00903  0.00531  0.03750  92  GLU A OE1 
562  O OE2 . GLU A 93  ? 0.45899 0.23068 0.40656 0.00873  0.00775  0.03605  92  GLU A OE2 
563  N N   . THR A 94  ? 0.31477 0.11031 0.25684 -0.04476 0.01442  0.03685  93  THR A N   
564  C CA  . THR A 94  ? 0.34943 0.12762 0.29227 -0.05178 0.01572  0.03841  93  THR A CA  
565  C C   . THR A 94  ? 0.42119 0.19120 0.36663 -0.05557 0.01494  0.02479  93  THR A C   
566  O O   . THR A 94  ? 0.40167 0.17939 0.34736 -0.05125 0.01360  0.01578  93  THR A O   
567  C CB  . THR A 94  ? 0.49683 0.28419 0.44085 -0.06673 0.01875  0.04501  93  THR A CB  
568  O OG1 . THR A 94  ? 0.40181 0.20745 0.35153 -0.07811 0.01883  0.03681  93  THR A OG1 
569  C CG2 . THR A 94  ? 0.39108 0.19133 0.33033 -0.06390 0.02041  0.05672  93  THR A CG2 
570  N N   . ASP A 95  ? 0.45861 0.21287 0.40498 -0.06443 0.01591  0.02323  94  ASP A N   
571  C CA  . ASP A 95  ? 0.44618 0.19447 0.39313 -0.07099 0.01498  0.00935  94  ASP A CA  
572  C C   . ASP A 95  ? 0.49061 0.26352 0.44038 -0.08362 0.01363  0.00337  94  ASP A C   
573  O O   . ASP A 95  ? 0.49650 0.27285 0.44500 -0.08651 0.01161  -0.00866 94  ASP A O   
574  C CB  . ASP A 95  ? 0.57701 0.30240 0.52438 -0.07918 0.01613  0.00953  94  ASP A CB  
575  C CG  . ASP A 95  ? 0.81181 0.51076 0.75720 -0.06719 0.01617  0.00525  94  ASP A CG  
576  O OD1 . ASP A 95  ? 0.67577 0.37635 0.62065 -0.05134 0.01565  0.00534  94  ASP A OD1 
577  O OD2 . ASP A 95  ? 1.07146 0.74855 1.01678 -0.07348 0.01680  0.00185  94  ASP A OD2 
578  N N   . GLY A 96  ? 0.39632 0.18857 0.35004 -0.09053 0.01467  0.01178  95  GLY A N   
579  C CA  . GLY A 96  ? 0.43428 0.25344 0.39432 -0.10247 0.01317  0.00783  95  GLY A CA  
580  C C   . GLY A 96  ? 0.34940 0.18992 0.31095 -0.09693 0.01153  0.00660  95  GLY A C   
581  O O   . GLY A 96  ? 0.33709 0.20097 0.30523 -0.10221 0.00828  0.00053  95  GLY A O   
582  N N   . PHE A 97  ? 0.28685 0.12920 0.24697 -0.08169 0.01243  0.01251  96  PHE A N   
583  C CA  . PHE A 97  ? 0.27135 0.14107 0.23790 -0.07182 0.01055  0.01152  96  PHE A CA  
584  C C   . PHE A 97  ? 0.28119 0.14409 0.24372 -0.05580 0.01065  0.01443  96  PHE A C   
585  O O   . PHE A 97  ? 0.31499 0.15830 0.27121 -0.05169 0.01208  0.02038  96  PHE A O   
586  C CB  . PHE A 97  ? 0.27598 0.17277 0.25135 -0.07632 0.01228  0.01741  96  PHE A CB  
587  C CG  . PHE A 97  ? 0.24864 0.14157 0.21994 -0.07335 0.01633  0.02734  96  PHE A CG  
588  C CD1 . PHE A 97  ? 0.32910 0.20760 0.29579 -0.08400 0.01978  0.03410  96  PHE A CD1 
589  C CD2 . PHE A 97  ? 0.31615 0.21834 0.28651 -0.06076 0.01653  0.02985  96  PHE A CD2 
590  C CE1 . PHE A 97  ? 0.37953 0.25484 0.33963 -0.08145 0.02343  0.04442  96  PHE A CE1 
591  C CE2 . PHE A 97  ? 0.30087 0.20041 0.26464 -0.05843 0.01958  0.03837  96  PHE A CE2 
592  C CZ  . PHE A 97  ? 0.32230 0.20896 0.28025 -0.06826 0.02299  0.04618  96  PHE A CZ  
593  N N   A SER A 98  ? 0.25235 0.13225 0.21903 -0.04724 0.00870  0.01083  97  SER A N   
594  N N   B SER A 98  ? 0.25024 0.13030 0.21697 -0.04727 0.00871  0.01087  97  SER A N   
595  C CA  A SER A 98  ? 0.26211 0.14398 0.22806 -0.03413 0.00839  0.01341  97  SER A CA  
596  C CA  B SER A 98  ? 0.26125 0.14326 0.22727 -0.03403 0.00834  0.01316  97  SER A CA  
597  C C   A SER A 98  ? 0.26066 0.16623 0.23265 -0.03198 0.00857  0.01577  97  SER A C   
598  C C   B SER A 98  ? 0.26082 0.16651 0.23289 -0.03167 0.00846  0.01550  97  SER A C   
599  O O   A SER A 98  ? 0.25822 0.18003 0.23662 -0.03666 0.00821  0.01364  97  SER A O   
600  O O   B SER A 98  ? 0.25736 0.17936 0.23582 -0.03589 0.00797  0.01314  97  SER A O   
601  C CB  A SER A 98  ? 0.30201 0.18014 0.26735 -0.02610 0.00702  0.00642  97  SER A CB  
602  C CB  B SER A 98  ? 0.30250 0.18044 0.26778 -0.02649 0.00698  0.00584  97  SER A CB  
603  O OG  A SER A 98  ? 0.29057 0.18368 0.25924 -0.02940 0.00557  0.00062  97  SER A OG  
604  O OG  B SER A 98  ? 0.29642 0.17943 0.26329 -0.01524 0.00646  0.00795  97  SER A OG  
605  N N   . LEU A 99  ? 0.23487 0.14227 0.20480 -0.02444 0.00886  0.01988  98  LEU A N   
606  C CA  . LEU A 99  ? 0.22052 0.14563 0.19377 -0.02253 0.01011  0.02137  98  LEU A CA  
607  C C   . LEU A 99  ? 0.20261 0.12943 0.17469 -0.01308 0.00818  0.02035  98  LEU A C   
608  O O   . LEU A 99  ? 0.21385 0.13140 0.18044 -0.00888 0.00675  0.02366  98  LEU A O   
609  C CB  . LEU A 99  ? 0.23726 0.16323 0.20598 -0.02757 0.01352  0.02802  98  LEU A CB  
610  C CG  . LEU A 99  ? 0.20939 0.15060 0.17774 -0.02499 0.01625  0.02906  98  LEU A CG  
611  C CD1 . LEU A 99  ? 0.26093 0.22018 0.24016 -0.02603 0.01826  0.02485  98  LEU A CD1 
612  C CD2 . LEU A 99  ? 0.23730 0.17677 0.19727 -0.03040 0.02014  0.03661  98  LEU A CD2 
613  N N   . GLY A 100 ? 0.18488 0.12354 0.16259 -0.01010 0.00786  0.01648  99  GLY A N   
614  C CA  . GLY A 100 ? 0.18648 0.12765 0.16425 -0.00366 0.00611  0.01478  99  GLY A CA  
615  C C   . GLY A 100 ? 0.22738 0.17886 0.21098 -0.00248 0.00696  0.01139  99  GLY A C   
616  O O   . GLY A 100 ? 0.22466 0.18261 0.21257 -0.00474 0.00881  0.01121  99  GLY A O   
617  N N   . VAL A 101 ? 0.16584 0.11893 0.15053 0.00114  0.00550  0.00909  100 VAL A N   
618  C CA  . VAL A 101 ? 0.14718 0.10530 0.13642 0.00209  0.00657  0.00621  100 VAL A CA  
619  C C   . VAL A 101 ? 0.18113 0.13899 0.17417 0.00327  0.00509  0.00488  100 VAL A C   
620  O O   . VAL A 101 ? 0.17239 0.13009 0.16491 0.00469  0.00325  0.00445  100 VAL A O   
621  C CB  . VAL A 101 ? 0.18422 0.14415 0.16968 0.00273  0.00710  0.00377  100 VAL A CB  
622  C CG1 . VAL A 101 ? 0.19390 0.15386 0.18399 0.00352  0.00858  -0.00013 100 VAL A CG1 
623  C CG2 . VAL A 101 ? 0.20153 0.16377 0.18187 0.00140  0.01001  0.00512  100 VAL A CG2 
624  N N   . PHE A 102 ? 0.18186 0.14131 0.17909 0.00300  0.00605  0.00510  101 PHE A N   
625  C CA  . PHE A 102 ? 0.18283 0.14283 0.18286 0.00300  0.00590  0.00481  101 PHE A CA  
626  C C   . PHE A 102 ? 0.19058 0.14869 0.19341 0.00269  0.00700  0.00357  101 PHE A C   
627  O O   . PHE A 102 ? 0.19253 0.14853 0.19651 0.00406  0.00857  0.00356  101 PHE A O   
628  C CB  . PHE A 102 ? 0.16299 0.12488 0.16329 0.00229  0.00600  0.00717  101 PHE A CB  
629  C CG  . PHE A 102 ? 0.18865 0.14996 0.18504 0.00146  0.00531  0.00592  101 PHE A CG  
630  C CD1 . PHE A 102 ? 0.20784 0.16773 0.20200 -0.00045 0.00454  0.00591  101 PHE A CD1 
631  C CD2 . PHE A 102 ? 0.19324 0.15507 0.18862 0.00225  0.00616  0.00408  101 PHE A CD2 
632  C CE1 . PHE A 102 ? 0.25211 0.20725 0.24184 -0.00202 0.00422  0.00355  101 PHE A CE1 
633  C CE2 . PHE A 102 ? 0.21662 0.17512 0.20783 0.00251  0.00645  0.00131  101 PHE A CE2 
634  C CZ  . PHE A 102 ? 0.24288 0.19608 0.23060 0.00014  0.00529  0.00074  101 PHE A CZ  
635  N N   . LEU A 103 ? 0.16308 0.12198 0.16786 0.00077  0.00658  0.00203  102 LEU A N   
636  C CA  . LEU A 103 ? 0.22004 0.17458 0.22714 -0.00177 0.00755  -0.00021 102 LEU A CA  
637  C C   . LEU A 103 ? 0.21286 0.16713 0.22375 -0.00470 0.00892  0.00284  102 LEU A C   
638  O O   . LEU A 103 ? 0.20296 0.16490 0.21611 -0.00663 0.00861  0.00286  102 LEU A O   
639  C CB  . LEU A 103 ? 0.19732 0.15516 0.20315 -0.00416 0.00532  -0.00515 102 LEU A CB  
640  C CG  . LEU A 103 ? 0.19201 0.15093 0.19124 -0.00167 0.00426  -0.00667 102 LEU A CG  
641  C CD1 . LEU A 103 ? 0.19905 0.16427 0.19695 0.00053  0.00143  -0.00378 102 LEU A CD1 
642  C CD2 . LEU A 103 ? 0.23411 0.19241 0.22889 -0.00451 0.00335  -0.01285 102 LEU A CD2 
643  N N   . LEU A 104 ? 0.22486 0.17112 0.23666 -0.00433 0.01085  0.00625  103 LEU A N   
644  C CA  . LEU A 104 ? 0.23242 0.17682 0.24570 -0.00731 0.01262  0.01165  103 LEU A CA  
645  C C   . LEU A 104 ? 0.22154 0.15644 0.23802 -0.01292 0.01430  0.00992  103 LEU A C   
646  O O   . LEU A 104 ? 0.20687 0.13005 0.22337 -0.01172 0.01499  0.00680  103 LEU A O   
647  C CB  . LEU A 104 ? 0.20120 0.14205 0.21290 -0.00315 0.01286  0.01873  103 LEU A CB  
648  C CG  . LEU A 104 ? 0.24540 0.19663 0.25326 -0.00080 0.01097  0.02094  103 LEU A CG  
649  C CD1 . LEU A 104 ? 0.29147 0.24665 0.29895 0.00175  0.00924  0.01601  103 LEU A CD1 
650  C CD2 . LEU A 104 ? 0.24567 0.19629 0.25252 0.00223  0.01001  0.02890  103 LEU A CD2 
651  N N   . LYS A 105 ? 0.19099 0.13085 0.21037 -0.01950 0.01560  0.01139  104 LYS A N   
652  C CA  . LYS A 105 ? 0.24493 0.17465 0.26778 -0.02736 0.01740  0.01023  104 LYS A CA  
653  C C   . LYS A 105 ? 0.26846 0.18192 0.28970 -0.02706 0.02038  0.01879  104 LYS A C   
654  O O   . LYS A 105 ? 0.26012 0.17487 0.27782 -0.02092 0.02026  0.02602  104 LYS A O   
655  C CB  . LYS A 105 ? 0.21951 0.16368 0.24825 -0.03567 0.01798  0.00903  104 LYS A CB  
656  C CG  . LYS A 105 ? 0.21961 0.18034 0.25119 -0.03417 0.01407  0.00196  104 LYS A CG  
657  C CD  . LYS A 105 ? 0.22079 0.20048 0.26127 -0.04034 0.01478  0.00169  104 LYS A CD  
658  C CE  . LYS A 105 ? 0.26934 0.26535 0.31420 -0.03828 0.00969  -0.00438 104 LYS A CE  
659  N NZ  . LYS A 105 ? 0.23528 0.23771 0.27687 -0.02736 0.00836  -0.00332 104 LYS A NZ  
660  N N   . SER A 106 ? 0.28038 0.17740 0.30386 -0.03376 0.02259  0.01813  105 SER A N   
661  C CA  . SER A 106 ? 0.27692 0.15448 0.29886 -0.03271 0.02547  0.02773  105 SER A CA  
662  C C   . SER A 106 ? 0.29068 0.17755 0.30971 -0.03405 0.02692  0.03968  105 SER A C   
663  O O   . SER A 106 ? 0.32120 0.22322 0.34175 -0.04157 0.02843  0.03974  105 SER A O   
664  C CB  . SER A 106 ? 0.32011 0.17674 0.34477 -0.04267 0.02835  0.02529  105 SER A CB  
665  O OG  . SER A 106 ? 0.42889 0.27872 0.45416 -0.04344 0.02709  0.01204  105 SER A OG  
666  N N   . GLY A 107 ? 0.33040 0.21026 0.34519 -0.02622 0.02650  0.04973  106 GLY A N   
667  C CA  . GLY A 107 ? 0.32273 0.20967 0.33157 -0.02779 0.02770  0.06209  106 GLY A CA  
668  C C   . GLY A 107 ? 0.32931 0.24119 0.33388 -0.02645 0.02627  0.06009  106 GLY A C   
669  O O   . GLY A 107 ? 0.40441 0.32487 0.40232 -0.02949 0.02823  0.06814  106 GLY A O   
670  N N   . THR A 108 ? 0.29160 0.21400 0.29846 -0.02213 0.02340  0.04976  107 THR A N   
671  C CA  . THR A 108 ? 0.20997 0.15165 0.21261 -0.02058 0.02246  0.04677  107 THR A CA  
672  C C   . THR A 108 ? 0.28397 0.22897 0.28188 -0.01255 0.01821  0.04856  107 THR A C   
673  O O   . THR A 108 ? 0.29474 0.23074 0.29515 -0.00694 0.01589  0.05115  107 THR A O   
674  C CB  . THR A 108 ? 0.25771 0.20899 0.26588 -0.02165 0.02205  0.03542  107 THR A CB  
675  O OG1 . THR A 108 ? 0.26274 0.20839 0.27327 -0.01639 0.01862  0.02947  107 THR A OG1 
676  C CG2 . THR A 108 ? 0.27301 0.22482 0.28842 -0.03050 0.02509  0.03319  107 THR A CG2 
677  N N   A SER A 109 ? 0.30628 0.26531 0.29788 -0.01227 0.01753  0.04662  108 SER A N   
678  N N   B SER A 109 ? 0.30630 0.26533 0.29812 -0.01214 0.01744  0.04626  108 SER A N   
679  C CA  A SER A 109 ? 0.27365 0.23887 0.26062 -0.00735 0.01305  0.04676  108 SER A CA  
680  C CA  B SER A 109 ? 0.27383 0.23842 0.26135 -0.00706 0.01289  0.04669  108 SER A CA  
681  C C   A SER A 109 ? 0.28782 0.26230 0.27249 -0.00766 0.01285  0.03696  108 SER A C   
682  C C   B SER A 109 ? 0.28617 0.26138 0.26954 -0.00778 0.01272  0.03802  108 SER A C   
683  O O   A SER A 109 ? 0.27496 0.25366 0.25998 -0.01028 0.01647  0.03211  108 SER A O   
684  O O   B SER A 109 ? 0.28248 0.26332 0.26342 -0.01093 0.01660  0.03476  108 SER A O   
685  C CB  A SER A 109 ? 0.29822 0.26882 0.27531 -0.00762 0.01160  0.05691  108 SER A CB  
686  C CB  B SER A 109 ? 0.29677 0.26426 0.27615 -0.00639 0.01103  0.05800  108 SER A CB  
687  O OG  A SER A 109 ? 0.28487 0.24441 0.26356 -0.00637 0.01182  0.06818  108 SER A OG  
688  O OG  B SER A 109 ? 0.36507 0.34392 0.33356 -0.01065 0.01290  0.05779  108 SER A OG  
689  N N   . ILE A 110 ? 0.21412 0.19171 0.19756 -0.00482 0.00878  0.03424  109 ILE A N   
690  C CA  A ILE A 110 ? 0.20364 0.18798 0.18060 -0.00607 0.00817  0.02725  109 ILE A CA  
691  C CA  B ILE A 110 ? 0.20512 0.18948 0.18210 -0.00604 0.00809  0.02724  109 ILE A CA  
692  C C   . ILE A 110 ? 0.22727 0.22005 0.19335 -0.00796 0.00577  0.03181  109 ILE A C   
693  O O   . ILE A 110 ? 0.24176 0.23814 0.20847 -0.00642 0.00074  0.03697  109 ILE A O   
694  C CB  A ILE A 110 ? 0.25452 0.23679 0.23565 -0.00441 0.00536  0.02151  109 ILE A CB  
695  C CB  B ILE A 110 ? 0.25358 0.23615 0.23459 -0.00440 0.00508  0.02179  109 ILE A CB  
696  C CG1 A ILE A 110 ? 0.27134 0.24654 0.26087 -0.00254 0.00714  0.01862  109 ILE A CG1 
697  C CG1 B ILE A 110 ? 0.27125 0.24655 0.26118 -0.00222 0.00641  0.01960  109 ILE A CG1 
698  C CG2 A ILE A 110 ? 0.25095 0.23492 0.22516 -0.00642 0.00550  0.01369  109 ILE A CG2 
699  C CG2 B ILE A 110 ? 0.25100 0.23476 0.22552 -0.00634 0.00551  0.01365  109 ILE A CG2 
700  C CD1 A ILE A 110 ? 0.21934 0.19240 0.21154 -0.00138 0.00529  0.01471  109 ILE A CD1 
701  C CD1 B ILE A 110 ? 0.24135 0.21547 0.23248 -0.00271 0.00949  0.01472  109 ILE A CD1 
702  N N   . PRO A 111 ? 0.23831 0.23657 0.19445 -0.01101 0.00919  0.03036  110 PRO A N   
703  C CA  . PRO A 111 ? 0.22515 0.23264 0.16802 -0.01350 0.00678  0.03562  110 PRO A CA  
704  C C   . PRO A 111 ? 0.23725 0.25091 0.17453 -0.01491 0.00073  0.03039  110 PRO A C   
705  O O   . PRO A 111 ? 0.22292 0.23253 0.16343 -0.01532 0.00045  0.02068  110 PRO A O   
706  C CB  . PRO A 111 ? 0.22026 0.23280 0.15338 -0.01666 0.01373  0.03188  110 PRO A CB  
707  C CG  . PRO A 111 ? 0.26037 0.26723 0.20606 -0.01550 0.01940  0.02976  110 PRO A CG  
708  C CD  . PRO A 111 ? 0.22466 0.22333 0.18163 -0.01196 0.01579  0.02466  110 PRO A CD  
709  N N   . LEU A 112 ? 0.22396 0.24811 0.15183 -0.01655 -0.00435 0.03763  111 LEU A N   
710  C CA  . LEU A 112 ? 0.24112 0.27553 0.16357 -0.01975 -0.01167 0.03393  111 LEU A CA  
711  C C   . LEU A 112 ? 0.20892 0.24021 0.12378 -0.02458 -0.00937 0.01831  111 LEU A C   
712  O O   . LEU A 112 ? 0.20967 0.24003 0.11266 -0.02645 -0.00373 0.01221  111 LEU A O   
713  C CB  . LEU A 112 ? 0.21402 0.26270 0.12228 -0.02180 -0.01661 0.04334  111 LEU A CB  
714  C CG  . LEU A 112 ? 0.22147 0.28568 0.12461 -0.02605 -0.02618 0.04109  111 LEU A CG  
715  C CD1 . LEU A 112 ? 0.26973 0.33852 0.19155 -0.02160 -0.03231 0.04703  111 LEU A CD1 
716  C CD2 . LEU A 112 ? 0.24232 0.32192 0.12736 -0.02845 -0.03091 0.05026  111 LEU A CD2 
717  N N   . HIS A 113 ? 0.20784 0.23700 0.12963 -0.02660 -0.01308 0.01189  112 HIS A N   
718  C CA  . HIS A 113 ? 0.21308 0.23362 0.12902 -0.03105 -0.01075 -0.00257 112 HIS A CA  
719  C C   . HIS A 113 ? 0.24342 0.26830 0.16294 -0.03720 -0.01769 -0.00616 112 HIS A C   
720  O O   . HIS A 113 ? 0.22347 0.25868 0.15402 -0.03613 -0.02306 0.00237  112 HIS A O   
721  C CB  . HIS A 113 ? 0.18982 0.19435 0.11505 -0.02601 -0.00378 -0.00696 112 HIS A CB  
722  C CG  . HIS A 113 ? 0.19478 0.19528 0.13629 -0.02275 -0.00546 -0.00155 112 HIS A CG  
723  N ND1 . HIS A 113 ? 0.20135 0.20303 0.15241 -0.01741 -0.00459 0.00796  112 HIS A ND1 
724  C CD2 . HIS A 113 ? 0.24653 0.24183 0.19510 -0.02486 -0.00744 -0.00467 112 HIS A CD2 
725  C CE1 . HIS A 113 ? 0.20207 0.20013 0.16471 -0.01557 -0.00572 0.00928  112 HIS A CE1 
726  N NE2 . HIS A 113 ? 0.16417 0.15969 0.12560 -0.02016 -0.00741 0.00259  112 HIS A NE2 
727  N N   . ASP A 114 ? 0.23060 0.24711 0.14196 -0.04370 -0.01695 -0.01914 113 ASP A N   
728  C CA  . ASP A 114 ? 0.22293 0.24298 0.13679 -0.05265 -0.02311 -0.02387 113 ASP A CA  
729  C C   . ASP A 114 ? 0.26170 0.26227 0.18429 -0.05330 -0.01912 -0.02953 113 ASP A C   
730  O O   . ASP A 114 ? 0.27207 0.25773 0.19855 -0.04580 -0.01253 -0.02959 113 ASP A O   
731  C CB  . ASP A 114 ? 0.30234 0.32837 0.19773 -0.06276 -0.02700 -0.03427 113 ASP A CB  
732  C CG  . ASP A 114 ? 0.33989 0.34579 0.22098 -0.06351 -0.01928 -0.04905 113 ASP A CG  
733  O OD1 . ASP A 114 ? 0.31447 0.30294 0.20176 -0.05585 -0.01160 -0.05050 113 ASP A OD1 
734  O OD2 . ASP A 114 ? 0.42850 0.43711 0.29193 -0.07149 -0.02111 -0.05969 113 ASP A OD2 
735  N N   . HIS A 115 ? 0.24876 0.25177 0.17543 -0.06280 -0.02374 -0.03274 114 HIS A N   
736  C CA  . HIS A 115 ? 0.24235 0.22758 0.17637 -0.06562 -0.02058 -0.03608 114 HIS A CA  
737  C C   . HIS A 115 ? 0.27860 0.25957 0.20556 -0.08025 -0.02412 -0.04675 114 HIS A C   
738  O O   . HIS A 115 ? 0.27108 0.26416 0.20725 -0.08931 -0.02898 -0.04433 114 HIS A O   
739  C CB  . HIS A 115 ? 0.23643 0.23123 0.18830 -0.06233 -0.02139 -0.02504 114 HIS A CB  
740  C CG  . HIS A 115 ? 0.25532 0.25775 0.21369 -0.05022 -0.01973 -0.01511 114 HIS A CG  
741  N ND1 . HIS A 115 ? 0.23862 0.26005 0.19726 -0.04713 -0.02403 -0.00826 114 HIS A ND1 
742  C CD2 . HIS A 115 ? 0.22650 0.21863 0.19046 -0.04108 -0.01443 -0.01106 114 HIS A CD2 
743  C CE1 . HIS A 115 ? 0.22726 0.24689 0.19185 -0.03703 -0.02071 -0.00068 114 HIS A CE1 
744  N NE2 . HIS A 115 ? 0.21700 0.22006 0.18483 -0.03383 -0.01508 -0.00305 114 HIS A NE2 
745  N N   . PRO A 116 ? 0.28171 0.24597 0.19263 -0.08348 -0.02135 -0.05959 115 PRO A N   
746  C CA  . PRO A 116 ? 0.33228 0.29363 0.23309 -0.09920 -0.02563 -0.07187 115 PRO A CA  
747  C C   . PRO A 116 ? 0.35144 0.29895 0.26143 -0.10921 -0.02555 -0.07311 115 PRO A C   
748  O O   . PRO A 116 ? 0.38294 0.30340 0.29477 -0.10490 -0.01890 -0.07389 115 PRO A O   
749  C CB  . PRO A 116 ? 0.41122 0.35104 0.29321 -0.09693 -0.01957 -0.08615 115 PRO A CB  
750  C CG  . PRO A 116 ? 0.35218 0.29796 0.23402 -0.08145 -0.01460 -0.07924 115 PRO A CG  
751  C CD  . PRO A 116 ? 0.30405 0.25323 0.20553 -0.07302 -0.01387 -0.06438 115 PRO A CD  
752  N N   . GLY A 117 ? 0.35870 0.32640 0.27462 -0.12306 -0.03317 -0.07251 116 GLY A N   
753  C CA  . GLY A 117 ? 0.45286 0.41133 0.37822 -0.13471 -0.03285 -0.07300 116 GLY A CA  
754  C C   . GLY A 117 ? 0.42279 0.37843 0.36383 -0.12879 -0.02848 -0.06068 116 GLY A C   
755  O O   . GLY A 117 ? 0.42341 0.35792 0.36736 -0.13479 -0.02435 -0.06090 116 GLY A O   
756  N N   . MET A 118 ? 0.36906 0.34580 0.32042 -0.11593 -0.02888 -0.04886 117 MET A N   
757  C CA  . MET A 118 ? 0.33882 0.30798 0.30029 -0.10509 -0.02281 -0.03878 117 MET A CA  
758  C C   . MET A 118 ? 0.29733 0.29891 0.27583 -0.10253 -0.02591 -0.02783 117 MET A C   
759  O O   . MET A 118 ? 0.28183 0.30866 0.26279 -0.10129 -0.03204 -0.02585 117 MET A O   
760  C CB  . MET A 118 ? 0.32494 0.28069 0.27868 -0.08921 -0.01838 -0.03851 117 MET A CB  
761  C CG  . MET A 118 ? 0.37245 0.29423 0.31780 -0.08616 -0.01213 -0.04406 117 MET A CG  
762  S SD  . MET A 118 ? 0.35405 0.27048 0.29100 -0.06992 -0.00826 -0.04643 117 MET A SD  
763  C CE  . MET A 118 ? 0.37382 0.29047 0.32261 -0.05696 -0.00468 -0.03413 117 MET A CE  
764  N N   . HIS A 119 ? 0.27984 0.28116 0.26960 -0.10173 -0.02159 -0.02069 118 HIS A N   
765  C CA  . HIS A 119 ? 0.22580 0.25303 0.23159 -0.09472 -0.02146 -0.01075 118 HIS A CA  
766  C C   . HIS A 119 ? 0.26437 0.28044 0.26889 -0.07845 -0.01614 -0.00558 118 HIS A C   
767  O O   . HIS A 119 ? 0.29570 0.28605 0.29095 -0.07505 -0.01183 -0.00766 118 HIS A O   
768  C CB  . HIS A 119 ? 0.22625 0.26250 0.24450 -0.10467 -0.01861 -0.00689 118 HIS A CB  
769  C CG  . HIS A 119 ? 0.34505 0.39877 0.36908 -0.12242 -0.02414 -0.01100 118 HIS A CG  
770  N ND1 . HIS A 119 ? 0.33085 0.42299 0.37244 -0.12509 -0.02863 -0.00650 118 HIS A ND1 
771  C CD2 . HIS A 119 ? 0.37074 0.40916 0.38611 -0.13886 -0.02605 -0.01965 118 HIS A CD2 
772  C CE1 . HIS A 119 ? 0.33863 0.44155 0.38262 -0.14347 -0.03386 -0.01203 118 HIS A CE1 
773  N NE2 . HIS A 119 ? 0.39681 0.46568 0.42410 -0.15242 -0.03215 -0.02057 118 HIS A NE2 
774  N N   . GLY A 120 ? 0.26804 0.30355 0.28267 -0.06850 -0.01660 0.00109  119 GLY A N   
775  C CA  . GLY A 120 ? 0.25423 0.28034 0.26802 -0.05484 -0.01207 0.00494  119 GLY A CA  
776  C C   . GLY A 120 ? 0.30006 0.34544 0.32818 -0.04751 -0.01023 0.01158  119 GLY A C   
777  O O   . GLY A 120 ? 0.28827 0.35772 0.32738 -0.04784 -0.01410 0.01455  119 GLY A O   
778  N N   A MET A 121 ? 0.25686 0.29264 0.28504 -0.04071 -0.00433 0.01353  120 MET A N   
779  N N   B MET A 121 ? 0.25699 0.29245 0.28496 -0.04014 -0.00436 0.01356  120 MET A N   
780  C CA  A MET A 121 ? 0.19411 0.24368 0.23351 -0.03200 -0.00107 0.01772  120 MET A CA  
781  C CA  B MET A 121 ? 0.19389 0.24392 0.23368 -0.03238 -0.00080 0.01777  120 MET A CA  
782  C C   A MET A 121 ? 0.24483 0.27918 0.27805 -0.02136 0.00143  0.01762  120 MET A C   
783  C C   B MET A 121 ? 0.23350 0.26908 0.26801 -0.02156 0.00266  0.01782  120 MET A C   
784  O O   A MET A 121 ? 0.20395 0.21942 0.22605 -0.02173 0.00205  0.01504  120 MET A O   
785  O O   B MET A 121 ? 0.27360 0.29153 0.29831 -0.02222 0.00512  0.01584  120 MET A O   
786  C CB  A MET A 121 ? 0.28532 0.34181 0.33071 -0.03673 0.00464  0.01901  120 MET A CB  
787  C CB  B MET A 121 ? 0.29030 0.34788 0.33603 -0.03891 0.00436  0.01891  120 MET A CB  
788  C CG  A MET A 121 ? 0.28344 0.34226 0.32863 -0.05175 0.00293  0.01777  120 MET A CG  
789  C CG  B MET A 121 ? 0.26274 0.34282 0.32358 -0.03223 0.00836  0.02200  120 MET A CG  
790  S SD  A MET A 121 ? 0.27596 0.34325 0.32724 -0.06072 0.01023  0.02085  120 MET A SD  
791  S SD  B MET A 121 ? 0.33507 0.43019 0.40377 -0.04201 0.01558  0.02378  120 MET A SD  
792  C CE  A MET A 121 ? 0.28422 0.38629 0.35610 -0.05194 0.01336  0.02400  120 MET A CE  
793  C CE  B MET A 121 ? 0.19662 0.30271 0.27005 -0.05928 0.00926  0.02329  120 MET A CE  
794  N N   . LEU A 122 ? 0.18614 0.22917 0.22762 -0.01187 0.00256  0.02033  121 LEU A N   
795  C CA  . LEU A 122 ? 0.21870 0.24758 0.25560 -0.00325 0.00493  0.01975  121 LEU A CA  
796  C C   . LEU A 122 ? 0.24932 0.28461 0.29519 0.00480  0.01015  0.02023  121 LEU A C   
797  O O   . LEU A 122 ? 0.24348 0.29620 0.30203 0.00882  0.00996  0.02328  121 LEU A O   
798  C CB  . LEU A 122 ? 0.27701 0.30374 0.31191 0.00040  0.00041  0.02231  121 LEU A CB  
799  C CG  . LEU A 122 ? 0.37473 0.38727 0.40552 0.00692  0.00189  0.02278  121 LEU A CG  
800  C CD1 . LEU A 122 ? 0.32217 0.33251 0.34601 0.00492  -0.00243 0.02499  121 LEU A CD1 
801  C CD2 . LEU A 122 ? 0.28825 0.30316 0.32856 0.01640  0.00433  0.02580  121 LEU A CD2 
802  N N   . LYS A 123 ? 0.17410 0.19660 0.21370 0.00768  0.01471  0.01674  122 LYS A N   
803  C CA  A LYS A 123 ? 0.20381 0.22904 0.24917 0.01557  0.02060  0.01475  122 LYS A CA  
804  C CA  B LYS A 123 ? 0.20394 0.22915 0.24927 0.01556  0.02060  0.01474  122 LYS A CA  
805  C C   . LYS A 123 ? 0.21883 0.22539 0.25706 0.02012  0.02150  0.01137  122 LYS A C   
806  O O   . LYS A 123 ? 0.21356 0.20884 0.24084 0.01588  0.02113  0.00831  122 LYS A O   
807  C CB  A LYS A 123 ? 0.19860 0.23021 0.24188 0.01203  0.02657  0.01223  122 LYS A CB  
808  C CB  B LYS A 123 ? 0.19869 0.23018 0.24186 0.01199  0.02656  0.01222  122 LYS A CB  
809  C CG  A LYS A 123 ? 0.22965 0.26213 0.27505 0.02007  0.03402  0.00759  122 LYS A CG  
810  C CG  B LYS A 123 ? 0.22993 0.26170 0.27476 0.01992  0.03395  0.00749  122 LYS A CG  
811  C CD  A LYS A 123 ? 0.22633 0.27653 0.28938 0.02848  0.03674  0.00949  122 LYS A CD  
812  C CD  B LYS A 123 ? 0.22685 0.27668 0.28916 0.02815  0.03702  0.00921  122 LYS A CD  
813  C CE  A LYS A 123 ? 0.29135 0.33655 0.35635 0.03920  0.04443  0.00330  122 LYS A CE  
814  C CE  B LYS A 123 ? 0.29053 0.33791 0.35423 0.03767  0.04562  0.00269  122 LYS A CE  
815  N NZ  A LYS A 123 ? 0.25441 0.30062 0.30937 0.03607  0.05209  -0.00294 122 LYS A NZ  
816  N NZ  B LYS A 123 ? 0.25015 0.27368 0.30662 0.04290  0.04465  -0.00145 122 LYS A NZ  
817  N N   . VAL A 124 ? 0.22711 0.23055 0.27226 0.02857  0.02248  0.01229  123 VAL A N   
818  C CA  . VAL A 124 ? 0.20665 0.19073 0.24580 0.03103  0.02352  0.00887  123 VAL A CA  
819  C C   . VAL A 124 ? 0.24428 0.22236 0.27723 0.03138  0.02929  0.00048  123 VAL A C   
820  O O   . VAL A 124 ? 0.27149 0.25845 0.30918 0.03586  0.03492  -0.00231 123 VAL A O   
821  C CB  . VAL A 124 ? 0.26340 0.24205 0.31111 0.03987  0.02355  0.01301  123 VAL A CB  
822  C CG1 . VAL A 124 ? 0.25702 0.21323 0.29847 0.04002  0.02517  0.00909  123 VAL A CG1 
823  C CG2 . VAL A 124 ? 0.30018 0.28735 0.35141 0.03906  0.01701  0.02225  123 VAL A CG2 
824  N N   . LEU A 125 ? 0.20994 0.17550 0.23216 0.02639  0.02796  -0.00382 124 LEU A N   
825  C CA  . LEU A 125 ? 0.24559 0.20582 0.25876 0.02519  0.03184  -0.01233 124 LEU A CA  
826  C C   . LEU A 125 ? 0.29538 0.23913 0.30770 0.02837  0.03445  -0.01898 124 LEU A C   
827  O O   . LEU A 125 ? 0.31662 0.25718 0.32496 0.03110  0.04011  -0.02737 124 LEU A O   
828  C CB  . LEU A 125 ? 0.24376 0.20331 0.24580 0.01733  0.02765  -0.01291 124 LEU A CB  
829  C CG  . LEU A 125 ? 0.23529 0.20499 0.23585 0.01335  0.02527  -0.00692 124 LEU A CG  
830  C CD1 . LEU A 125 ? 0.24410 0.20973 0.23561 0.00844  0.02065  -0.00667 124 LEU A CD1 
831  C CD2 . LEU A 125 ? 0.25798 0.23862 0.25709 0.01336  0.03055  -0.00723 124 LEU A CD2 
832  N N   . TYR A 126 ? 0.25228 0.18450 0.26712 0.02720  0.03107  -0.01598 125 TYR A N   
833  C CA  . TYR A 126 ? 0.26516 0.17836 0.28068 0.02948  0.03386  -0.02096 125 TYR A CA  
834  C C   . TYR A 126 ? 0.28172 0.18735 0.30368 0.03006  0.03069  -0.01177 125 TYR A C   
835  O O   . TYR A 126 ? 0.25701 0.17255 0.27979 0.02684  0.02605  -0.00413 125 TYR A O   
836  C CB  . TYR A 126 ? 0.28112 0.18480 0.28578 0.02134  0.03329  -0.03091 125 TYR A CB  
837  C CG  . TYR A 126 ? 0.26828 0.17639 0.26940 0.01211  0.02679  -0.02792 125 TYR A CG  
838  C CD1 . TYR A 126 ? 0.25405 0.15354 0.25931 0.00813  0.02445  -0.02370 125 TYR A CD1 
839  C CD2 . TYR A 126 ? 0.25018 0.17175 0.24432 0.00798  0.02356  -0.02861 125 TYR A CD2 
840  C CE1 . TYR A 126 ? 0.24704 0.15392 0.25109 0.00064  0.01968  -0.02150 125 TYR A CE1 
841  C CE2 . TYR A 126 ? 0.24615 0.17306 0.23916 0.00188  0.01807  -0.02597 125 TYR A CE2 
842  C CZ  . TYR A 126 ? 0.21234 0.13339 0.21111 -0.00159 0.01640  -0.02297 125 TYR A CZ  
843  O OH  . TYR A 126 ? 0.25817 0.18777 0.25783 -0.00670 0.01201  -0.02067 125 TYR A OH  
844  N N   . GLY A 127 ? 0.29680 0.18358 0.32216 0.03421  0.03372  -0.01261 126 GLY A N   
845  C CA  . GLY A 127 ? 0.29591 0.17377 0.32563 0.03445  0.03122  -0.00231 126 GLY A CA  
846  C C   . GLY A 127 ? 0.30119 0.19032 0.34008 0.04425  0.02990  0.00860  126 GLY A C   
847  O O   . GLY A 127 ? 0.32558 0.22839 0.37032 0.05158  0.03179  0.00748  126 GLY A O   
848  N N   . THR A 128 ? 0.27630 0.16165 0.31645 0.04371  0.02651  0.01973  127 THR A N   
849  C CA  . THR A 128 ? 0.30247 0.19951 0.34995 0.05204  0.02335  0.03177  127 THR A CA  
850  C C   . THR A 128 ? 0.28286 0.19221 0.32442 0.04412  0.01763  0.03923  127 THR A C   
851  O O   . THR A 128 ? 0.28188 0.18154 0.31659 0.03587  0.01743  0.04017  127 THR A O   
852  C CB  . THR A 128 ? 0.32992 0.20718 0.38295 0.06134  0.02513  0.03974  127 THR A CB  
853  O OG1 . THR A 128 ? 0.37039 0.23818 0.42673 0.06807  0.03004  0.02978  127 THR A OG1 
854  C CG2 . THR A 128 ? 0.35186 0.24519 0.41148 0.06975  0.01985  0.05350  127 THR A CG2 
855  N N   . VAL A 129 ? 0.28294 0.21452 0.32715 0.04582  0.01345  0.04347  128 VAL A N   
856  C CA  . VAL A 129 ? 0.26267 0.20502 0.30004 0.03935  0.00832  0.04987  128 VAL A CA  
857  C C   . VAL A 129 ? 0.25934 0.21395 0.30155 0.04645  0.00346  0.06175  128 VAL A C   
858  O O   . VAL A 129 ? 0.29594 0.26036 0.34924 0.05552  0.00303  0.06343  128 VAL A O   
859  C CB  . VAL A 129 ? 0.23365 0.19070 0.26618 0.03158  0.00658  0.04284  128 VAL A CB  
860  C CG1 . VAL A 129 ? 0.26403 0.21074 0.29133 0.02518  0.01007  0.03306  128 VAL A CG1 
861  C CG2 . VAL A 129 ? 0.26637 0.24036 0.30658 0.03514  0.00569  0.04075  128 VAL A CG2 
862  N N   . ARG A 130 ? 0.27591 0.23210 0.30978 0.04240  -0.00017 0.07028  129 ARG A N   
863  C CA  . ARG A 130 ? 0.24114 0.21396 0.27553 0.04653  -0.00680 0.08171  129 ARG A CA  
864  C C   . ARG A 130 ? 0.25618 0.24890 0.28317 0.03755  -0.01103 0.07694  129 ARG A C   
865  O O   . ARG A 130 ? 0.26867 0.25711 0.28466 0.02859  -0.00937 0.07202  129 ARG A O   
866  C CB  . ARG A 130 ? 0.25531 0.21692 0.28214 0.04735  -0.00800 0.09510  129 ARG A CB  
867  C CG  . ARG A 130 ? 0.29610 0.27800 0.32066 0.05107  -0.01627 0.10778  129 ARG A CG  
868  C CD  . ARG A 130 ? 0.43284 0.40446 0.44669 0.05087  -0.01740 0.12244  129 ARG A CD  
869  N NE  . ARG A 130 ? 0.46021 0.40380 0.47707 0.05425  -0.01164 0.12249  129 ARG A NE  
870  C CZ  . ARG A 130 ? 0.45671 0.37985 0.46653 0.04602  -0.00560 0.12008  129 ARG A CZ  
871  N NH1 . ARG A 130 ? 0.43841 0.36635 0.43963 0.03520  -0.00333 0.11719  129 ARG A NH1 
872  N NH2 . ARG A 130 ? 0.48128 0.37949 0.49332 0.04824  -0.00174 0.11998  129 ARG A NH2 
873  N N   . ILE A 131 ? 0.23640 0.25073 0.27037 0.03970  -0.01596 0.07740  130 ILE A N   
874  C CA  . ILE A 131 ? 0.23471 0.26585 0.26176 0.03016  -0.02014 0.07183  130 ILE A CA  
875  C C   . ILE A 131 ? 0.22207 0.27263 0.24614 0.03106  -0.02870 0.08197  130 ILE A C   
876  O O   . ILE A 131 ? 0.23407 0.29937 0.27071 0.03932  -0.03301 0.08934  130 ILE A O   
877  C CB  . ILE A 131 ? 0.25366 0.29507 0.29027 0.02810  -0.01896 0.06267  130 ILE A CB  
878  C CG1 . ILE A 131 ? 0.28515 0.30822 0.32206 0.02738  -0.01115 0.05371  130 ILE A CG1 
879  C CG2 . ILE A 131 ? 0.25215 0.30653 0.28097 0.01697  -0.02315 0.05670  130 ILE A CG2 
880  C CD1 . ILE A 131 ? 0.23485 0.26670 0.28016 0.02603  -0.00876 0.04666  130 ILE A CD1 
881  N N   . SER A 132 ? 0.21813 0.27044 0.22560 0.02316  -0.03114 0.08238  131 SER A N   
882  C CA  . SER A 132 ? 0.23118 0.30419 0.23131 0.02146  -0.04005 0.09017  131 SER A CA  
883  C C   . SER A 132 ? 0.29083 0.37958 0.28614 0.01053  -0.04385 0.07874  131 SER A C   
884  O O   . SER A 132 ? 0.25798 0.33582 0.24391 0.00253  -0.03914 0.06738  131 SER A O   
885  C CB  . SER A 132 ? 0.26397 0.32916 0.24609 0.01914  -0.03961 0.09803  131 SER A CB  
886  O OG  . SER A 132 ? 0.31841 0.36296 0.30464 0.02655  -0.03433 0.10682  131 SER A OG  
887  N N   . CYS A 133 ? 0.24672 0.36090 0.24920 0.01019  -0.05241 0.08180  132 CYS A N   
888  C CA  . CYS A 133 ? 0.22859 0.35777 0.23065 -0.00117 -0.05619 0.07064  132 CYS A CA  
889  C C   . CYS A 133 ? 0.23321 0.38372 0.22173 -0.00822 -0.06630 0.07310  132 CYS A C   
890  O O   . CYS A 133 ? 0.26895 0.43859 0.26175 -0.00171 -0.07425 0.08605  132 CYS A O   
891  C CB  . CYS A 133 ? 0.22838 0.37362 0.25325 0.00194  -0.05744 0.07041  132 CYS A CB  
892  S SG  . CYS A 133 ? 0.28280 0.40549 0.32053 0.00909  -0.04554 0.06594  132 CYS A SG  
893  N N   . MET A 134 ? 0.23167 0.37886 0.20324 -0.02094 -0.06618 0.06068  133 MET A N   
894  C CA  . MET A 134 ? 0.26157 0.42822 0.21638 -0.02911 -0.07547 0.06065  133 MET A CA  
895  C C   . MET A 134 ? 0.23872 0.40773 0.18627 -0.04445 -0.07696 0.04346  133 MET A C   
896  O O   . MET A 134 ? 0.26917 0.42150 0.22304 -0.04811 -0.07004 0.03295  133 MET A O   
897  C CB  . MET A 134 ? 0.31992 0.47620 0.25156 -0.02829 -0.07273 0.06471  133 MET A CB  
898  C CG  . MET A 134 ? 0.40971 0.54548 0.34593 -0.01702 -0.06450 0.07469  133 MET A CG  
899  S SD  . MET A 134 ? 0.37629 0.50213 0.28607 -0.01894 -0.05971 0.07909  133 MET A SD  
900  C CE  . MET A 134 ? 0.43238 0.53792 0.35549 -0.00605 -0.05283 0.09416  133 MET A CE  
901  N N   . ASP A 135 ? 0.25397 0.44287 0.18678 -0.05385 -0.08633 0.04084  134 ASP A N   
902  C CA  . ASP A 135 ? 0.31541 0.50317 0.23745 -0.06986 -0.08772 0.02302  134 ASP A CA  
903  C C   . ASP A 135 ? 0.33126 0.51885 0.22853 -0.07467 -0.08865 0.01777  134 ASP A C   
904  O O   . ASP A 135 ? 0.34246 0.54269 0.23510 -0.06835 -0.09276 0.02953  134 ASP A O   
905  C CB  . ASP A 135 ? 0.29919 0.50694 0.23991 -0.07678 -0.09407 0.02038  134 ASP A CB  
906  C CG  . ASP A 135 ? 0.34743 0.55246 0.31105 -0.07551 -0.09041 0.02071  134 ASP A CG  
907  O OD1 . ASP A 135 ? 0.31444 0.49323 0.27498 -0.08101 -0.08175 0.00891  134 ASP A OD1 
908  O OD2 . ASP A 135 ? 0.29881 0.52318 0.28439 -0.06649 -0.09344 0.03276  134 ASP A OD2 
909  N N   . LYS A 136 ? 0.29299 0.46453 0.17456 -0.08532 -0.08415 -0.00007 135 LYS A N   
910  C CA  . LYS A 136 ? 0.33490 0.50834 0.19446 -0.09143 -0.08523 -0.00810 135 LYS A CA  
911  C C   . LYS A 136 ? 0.48144 0.67696 0.34689 -0.09973 -0.09530 -0.00998 135 LYS A C   
912  O O   . LYS A 136 ? 0.42248 0.62302 0.30527 -0.10560 -0.09810 -0.01347 135 LYS A O   
913  C CB  . LYS A 136 ? 0.45148 0.59873 0.29454 -0.09831 -0.07615 -0.02753 135 LYS A CB  
914  C CG  . LYS A 136 ? 0.50571 0.63654 0.33634 -0.09035 -0.06606 -0.02645 135 LYS A CG  
915  C CD  . LYS A 136 ? 0.60394 0.70800 0.43646 -0.09158 -0.05683 -0.03921 135 LYS A CD  
916  C CE  . LYS A 136 ? 0.54560 0.63326 0.36558 -0.09997 -0.05284 -0.05931 135 LYS A CE  
917  N NZ  . LYS A 136 ? 0.62746 0.68822 0.44028 -0.09528 -0.04024 -0.06996 135 LYS A NZ  
918  N N   . LEU A 137 ? 0.53161 0.79548 0.46122 -0.09324 0.20241  0.18535  136 LEU A N   
919  C CA  . LEU A 137 ? 0.53195 0.84335 0.52645 -0.13510 0.21123  0.18523  136 LEU A CA  
920  C C   . LEU A 137 ? 0.63439 0.88724 0.65110 -0.18002 0.23857  0.18468  136 LEU A C   
921  O O   . LEU A 137 ? 0.62125 0.81085 0.60952 -0.18497 0.23310  0.17876  136 LEU A O   
922  C CB  . LEU A 137 ? 0.47440 0.84898 0.49241 -0.14878 0.17093  0.16508  136 LEU A CB  
923  C CG  . LEU A 137 ? 0.44586 0.88882 0.46102 -0.10848 0.15649  0.16764  136 LEU A CG  
924  C CD1 . LEU A 137 ? 0.46456 0.96937 0.50251 -0.12095 0.12582  0.14982  136 LEU A CD1 
925  C CD2 . LEU A 137 ? 0.47758 0.96059 0.52168 -0.09596 0.18421  0.18800  136 LEU A CD2 
926  N N   . PRO A 145 ? 0.93819 0.94424 0.94915 -0.34412 0.18394  0.08425  144 PRO A N   
927  C CA  . PRO A 145 ? 1.08021 1.13505 1.06979 -0.31100 0.16100  0.08984  144 PRO A CA  
928  C C   . PRO A 145 ? 1.11989 1.20300 1.09690 -0.32329 0.11788  0.05969  144 PRO A C   
929  O O   . PRO A 145 ? 1.06247 1.09156 1.01194 -0.33501 0.10759  0.04194  144 PRO A O   
930  C CB  . PRO A 145 ? 0.98183 0.97686 0.91707 -0.26295 0.17502  0.11598  144 PRO A CB  
931  C CG  . PRO A 145 ? 1.08601 0.99972 0.99953 -0.27304 0.18711  0.11245  144 PRO A CG  
932  C CD  . PRO A 145 ? 1.08318 0.99577 1.04358 -0.32277 0.20216  0.09854  144 PRO A CD  
933  N N   . ARG A 146 ? 0.98308 1.15152 0.97759 -0.31476 0.09533  0.05753  145 ARG A N   
934  C CA  . ARG A 146 ? 0.84145 1.05100 0.83194 -0.32113 0.05741  0.03445  145 ARG A CA  
935  C C   . ARG A 146 ? 0.87641 1.02236 0.80873 -0.29069 0.04543  0.03848  145 ARG A C   
936  O O   . ARG A 146 ? 0.68039 0.79722 0.58453 -0.25699 0.05649  0.05905  145 ARG A O   
937  C CB  . ARG A 146 ? 0.78208 1.09925 0.80641 -0.30236 0.03999  0.03580  145 ARG A CB  
938  C CG  . ARG A 146 ? 0.74975 1.10184 0.76310 -0.28157 0.00175  0.01517  145 ARG A CG  
939  C CD  . ARG A 146 ? 0.68118 1.10229 0.70138 -0.23647 -0.00753 0.02595  145 ARG A CD  
940  N NE  . ARG A 146 ? 0.66950 1.13342 0.72014 -0.23500 0.01651  0.04619  145 ARG A NE  
941  C CZ  . ARG A 146 ? 0.65923 1.14456 0.69785 -0.19084 0.02147  0.06280  145 ARG A CZ  
942  N NH1 . ARG A 146 ? 0.58017 1.04377 0.58142 -0.14901 0.00665  0.06031  145 ARG A NH1 
943  N NH2 . ARG A 146 ? 0.75765 1.28224 0.82090 -0.18810 0.04550  0.08214  145 ARG A NH2 
944  N N   . ALA A 147 ? 0.77264 0.90082 0.68792 -0.29674 0.02138  0.01627  146 ALA A N   
945  C CA  . ALA A 147 ? 0.77453 0.84726 0.64158 -0.26351 0.00997  0.01952  146 ALA A CA  
946  C C   . ALA A 147 ? 0.55949 0.67859 0.42774 -0.22269 -0.00955 0.02183  146 ALA A C   
947  O O   . ALA A 147 ? 0.48247 0.67599 0.37868 -0.21803 -0.02335 0.01397  146 ALA A O   
948  C CB  . ALA A 147 ? 0.75475 0.78534 0.59693 -0.28041 -0.00341 -0.00236 146 ALA A CB  
949  N N   . LEU A 148 ? 0.51035 0.58530 0.34899 -0.19254 -0.00743 0.03267  147 LEU A N   
950  C CA  . LEU A 148 ? 0.46148 0.55485 0.29625 -0.15725 -0.01947 0.03250  147 LEU A CA  
951  C C   . LEU A 148 ? 0.45982 0.56857 0.28778 -0.15037 -0.03788 0.01974  147 LEU A C   
952  O O   . LEU A 148 ? 0.49852 0.56587 0.30346 -0.16018 -0.04246 0.01259  147 LEU A O   
953  C CB  . LEU A 148 ? 0.47522 0.51346 0.28559 -0.13733 -0.01299 0.04019  147 LEU A CB  
954  C CG  . LEU A 148 ? 0.39873 0.43589 0.20747 -0.10683 -0.01664 0.03868  147 LEU A CG  
955  C CD1 . LEU A 148 ? 0.43970 0.51676 0.26444 -0.09348 -0.01271 0.03866  147 LEU A CD1 
956  C CD2 . LEU A 148 ? 0.39398 0.38092 0.18833 -0.09944 -0.01063 0.04174  147 LEU A CD2 
957  N N   . PRO A 149 ? 0.37117 0.53881 0.21197 -0.12760 -0.04707 0.01776  148 PRO A N   
958  C CA  . PRO A 149 ? 0.39953 0.58578 0.22420 -0.10660 -0.06267 0.00938  148 PRO A CA  
959  C C   . PRO A 149 ? 0.38887 0.50202 0.17735 -0.08128 -0.05628 0.01750  148 PRO A C   
960  O O   . PRO A 149 ? 0.39149 0.46476 0.17763 -0.06781 -0.04141 0.02883  148 PRO A O   
961  C CB  . PRO A 149 ? 0.42508 0.68094 0.26411 -0.07360 -0.06423 0.01496  148 PRO A CB  
962  C CG  . PRO A 149 ? 0.42116 0.71169 0.29276 -0.09084 -0.05466 0.02020  148 PRO A CG  
963  C CD  . PRO A 149 ? 0.44243 0.66479 0.30712 -0.11342 -0.04123 0.02516  148 PRO A CD  
964  N N   . PRO A 150 ? 0.41593 0.51457 0.17737 -0.07354 -0.06657 0.01022  149 PRO A N   
965  C CA  . PRO A 150 ? 0.42772 0.45255 0.15673 -0.05240 -0.05537 0.02169  149 PRO A CA  
966  C C   . PRO A 150 ? 0.42923 0.43695 0.15610 -0.01328 -0.03808 0.03845  149 PRO A C   
967  O O   . PRO A 150 ? 0.46851 0.41871 0.19283 -0.00989 -0.02123 0.04873  149 PRO A O   
968  C CB  . PRO A 150 ? 0.46670 0.49444 0.16282 -0.04363 -0.07107 0.00928  149 PRO A CB  
969  C CG  . PRO A 150 ? 0.47646 0.59719 0.19093 -0.04656 -0.09242 -0.00890 149 PRO A CG  
970  C CD  . PRO A 150 ? 0.44205 0.59594 0.20215 -0.08336 -0.08892 -0.01110 149 PRO A CD  
971  N N   . GLU A 151 ? 0.42865 0.48509 0.15816 0.01637  -0.03872 0.04113  150 GLU A N   
972  C CA  . GLU A 151 ? 0.45242 0.47732 0.17428 0.05547  -0.01440 0.05749  150 GLU A CA  
973  C C   . GLU A 151 ? 0.47344 0.47851 0.22152 0.04131  -0.00032 0.05701  150 GLU A C   
974  O O   . GLU A 151 ? 0.46971 0.43025 0.21517 0.06297  0.02374  0.06484  150 GLU A O   
975  C CB  . GLU A 151 ? 0.53432 0.61454 0.24181 0.10077  -0.01465 0.06387  150 GLU A CB  
976  C CG  . GLU A 151 ? 0.50284 0.65833 0.23754 0.09394  -0.02415 0.05756  150 GLU A CG  
977  C CD  . GLU A 151 ? 0.51326 0.75526 0.26696 0.07056  -0.05437 0.03964  150 GLU A CD  
978  O OE1 . GLU A 151 ? 0.60523 0.83411 0.35699 0.03499  -0.06944 0.02568  150 GLU A OE1 
979  O OE2 . GLU A 151 ? 0.76244 1.08135 0.53823 0.08578  -0.05962 0.03784  150 GLU A OE2 
980  N N   . GLN A 152 ? 0.40984 0.44478 0.18086 0.00727  -0.01214 0.04690  151 GLN A N   
981  C CA  . GLN A 152 ? 0.47675 0.50632 0.26586 0.00072  -0.00248 0.04341  151 GLN A CA  
982  C C   . GLN A 152 ? 0.48679 0.45388 0.27927 -0.00622 0.01114  0.04099  151 GLN A C   
983  O O   . GLN A 152 ? 0.44428 0.38287 0.23299 -0.02016 0.00928  0.04316  151 GLN A O   
984  C CB  . GLN A 152 ? 0.51248 0.58508 0.31995 -0.02928 -0.01412 0.03772  151 GLN A CB  
985  C CG  . GLN A 152 ? 0.50737 0.60022 0.32660 -0.02372 -0.00706 0.03505  151 GLN A CG  
986  C CD  . GLN A 152 ? 0.61453 0.72699 0.42802 0.01168  0.00180  0.03856  151 GLN A CD  
987  O OE1 . GLN A 152 ? 0.66183 0.72882 0.46519 0.03110  0.01767  0.03533  151 GLN A OE1 
988  N NE2 . GLN A 152 ? 0.63069 0.81143 0.45142 0.02076  -0.00597 0.04437  151 GLN A NE2 
989  N N   . GLN A 153 ? 0.53145 0.48196 0.33249 0.00299  0.02504  0.03400  152 GLN A N   
990  C CA  . GLN A 153 ? 0.52490 0.42277 0.33760 -0.00133 0.04181  0.02552  152 GLN A CA  
991  C C   . GLN A 153 ? 0.46474 0.37567 0.29112 -0.01155 0.03966  0.00482  152 GLN A C   
992  O O   . GLN A 153 ? 0.47682 0.41224 0.29503 0.00319  0.03981  0.00269  152 GLN A O   
993  C CB  . GLN A 153 ? 0.59959 0.45076 0.40199 0.02861  0.06951  0.03399  152 GLN A CB  
994  C CG  . GLN A 153 ? 0.73498 0.52409 0.55628 0.02037  0.09455  0.02785  152 GLN A CG  
995  C CD  . GLN A 153 ? 0.74080 0.48250 0.54559 0.04898  0.12180  0.05150  152 GLN A CD  
996  O OE1 . GLN A 153 ? 0.81755 0.57440 0.59015 0.08362  0.12212  0.06989  152 GLN A OE1 
997  N NE2 . GLN A 153 ? 0.79237 0.48268 0.62002 0.03792  0.14664  0.05159  152 GLN A NE2 
998  N N   . PHE A 154 ? 0.45265 0.35425 0.29784 -0.03224 0.03736  -0.01116 153 PHE A N   
999  C CA  . PHE A 154 ? 0.39820 0.31600 0.25269 -0.03828 0.03299  -0.03749 153 PHE A CA  
1000 C C   . PHE A 154 ? 0.48150 0.36244 0.36254 -0.05196 0.04616  -0.06228 153 PHE A C   
1001 O O   . PHE A 154 ? 0.51489 0.36494 0.41268 -0.06032 0.05848  -0.05445 153 PHE A O   
1002 C CB  . PHE A 154 ? 0.36900 0.33655 0.22164 -0.04862 0.01282  -0.03932 153 PHE A CB  
1003 C CG  . PHE A 154 ? 0.35622 0.35604 0.19189 -0.04376 0.00567  -0.01740 153 PHE A CG  
1004 C CD1 . PHE A 154 ? 0.35987 0.38902 0.18674 -0.02965 0.00605  -0.01686 153 PHE A CD1 
1005 C CD2 . PHE A 154 ? 0.41101 0.41050 0.24142 -0.05478 0.00129  0.00142  153 PHE A CD2 
1006 C CE1 . PHE A 154 ? 0.40725 0.47287 0.23038 -0.03093 0.00263  0.00197  153 PHE A CE1 
1007 C CE2 . PHE A 154 ? 0.39796 0.42493 0.22061 -0.05872 -0.00247 0.01590  153 PHE A CE2 
1008 C CZ  . PHE A 154 ? 0.41225 0.47631 0.23632 -0.04903 -0.00158 0.01626  153 PHE A CZ  
1009 N N   . GLU A 155 ? 0.44978 0.33614 0.33638 -0.05528 0.04461  -0.09458 154 GLU A N   
1010 C CA  . GLU A 155 ? 0.49438 0.35327 0.41416 -0.07670 0.05536  -0.12948 154 GLU A CA  
1011 C C   . GLU A 155 ? 0.52267 0.43872 0.44936 -0.08652 0.03020  -0.16562 154 GLU A C   
1012 O O   . GLU A 155 ? 0.52673 0.46127 0.42569 -0.06952 0.02187  -0.17727 154 GLU A O   
1013 C CB  . GLU A 155 ? 0.67727 0.46560 0.59158 -0.06790 0.08689  -0.14104 154 GLU A CB  
1014 C CG  . GLU A 155 ? 0.68658 0.42961 0.64280 -0.09809 0.10752  -0.17925 154 GLU A CG  
1015 C CD  . GLU A 155 ? 0.89163 0.62716 0.89029 -0.12041 0.11831  -0.16654 154 GLU A CD  
1016 O OE1 . GLU A 155 ? 0.95078 0.65193 0.93655 -0.10253 0.13773  -0.12521 154 GLU A OE1 
1017 O OE2 . GLU A 155 ? 0.89071 0.66100 0.93520 -0.15278 0.10742  -0.19866 154 GLU A OE2 
1018 N N   . PRO A 156 ? 0.49641 0.44992 0.45614 -0.10756 0.01753  -0.18265 155 PRO A N   
1019 C CA  . PRO A 156 ? 0.52636 0.47233 0.51886 -0.12392 0.02613  -0.16603 155 PRO A CA  
1020 C C   . PRO A 156 ? 0.44876 0.39656 0.41302 -0.10760 0.02339  -0.11762 155 PRO A C   
1021 O O   . PRO A 156 ? 0.44794 0.42416 0.37820 -0.09160 0.00903  -0.10179 155 PRO A O   
1022 C CB  . PRO A 156 ? 0.56716 0.58371 0.59373 -0.14098 0.00499  -0.19922 155 PRO A CB  
1023 C CG  . PRO A 156 ? 0.61005 0.68069 0.60268 -0.12182 -0.02022 -0.21692 155 PRO A CG  
1024 C CD  . PRO A 156 ? 0.53621 0.55467 0.50104 -0.11094 -0.00762 -0.22252 155 PRO A CD  
1025 N N   . PRO A 157 ? 0.46842 0.38073 0.44657 -0.11207 0.04074  -0.09498 156 PRO A N   
1026 C CA  . PRO A 157 ? 0.47041 0.37666 0.41827 -0.09774 0.03844  -0.05519 156 PRO A CA  
1027 C C   . PRO A 157 ? 0.40325 0.36003 0.34180 -0.09691 0.01903  -0.04780 156 PRO A C   
1028 O O   . PRO A 157 ? 0.41790 0.41889 0.38189 -0.10511 0.01029  -0.06721 156 PRO A O   
1029 C CB  . PRO A 157 ? 0.53644 0.39421 0.50210 -0.09933 0.06399  -0.03807 156 PRO A CB  
1030 C CG  . PRO A 157 ? 0.56402 0.41723 0.58266 -0.12267 0.07848  -0.06857 156 PRO A CG  
1031 C CD  . PRO A 157 ? 0.55189 0.41771 0.57051 -0.12844 0.06887  -0.10454 156 PRO A CD  
1032 N N   . LEU A 158 ? 0.33781 0.28867 0.23884 -0.08552 0.01436  -0.02030 157 LEU A N   
1033 C CA  . LEU A 158 ? 0.37521 0.35411 0.25495 -0.07979 0.00494  -0.00630 157 LEU A CA  
1034 C C   . LEU A 158 ? 0.47771 0.43417 0.35332 -0.07748 0.01383  0.01544  157 LEU A C   
1035 O O   . LEU A 158 ? 0.46481 0.37852 0.34015 -0.07701 0.02567  0.02718  157 LEU A O   
1036 C CB  . LEU A 158 ? 0.37237 0.34778 0.21643 -0.07424 0.00116  0.00923  157 LEU A CB  
1037 C CG  . LEU A 158 ? 0.37466 0.37840 0.21586 -0.07012 -0.00505 -0.00391 157 LEU A CG  
1038 C CD1 . LEU A 158 ? 0.39166 0.39575 0.20826 -0.06977 -0.00366 0.01563  157 LEU A CD1 
1039 C CD2 . LEU A 158 ? 0.41465 0.46603 0.26048 -0.06217 -0.01362 -0.02204 157 LEU A CD2 
1040 N N   . GLN A 159 ? 0.40866 0.39456 0.27436 -0.06898 0.01044  0.02348  158 GLN A N   
1041 C CA  . GLN A 159 ? 0.42908 0.38970 0.27535 -0.05955 0.02073  0.04934  158 GLN A CA  
1042 C C   . GLN A 159 ? 0.36663 0.27794 0.16353 -0.05662 0.02439  0.06941  158 GLN A C   
1043 O O   . GLN A 159 ? 0.37000 0.28455 0.15281 -0.06178 0.01888  0.06561  158 GLN A O   
1044 C CB  . GLN A 159 ? 0.49295 0.50413 0.33847 -0.04396 0.01882  0.05361  158 GLN A CB  
1045 C CG  . GLN A 159 ? 0.52721 0.60036 0.43045 -0.05081 0.01336  0.02955  158 GLN A CG  
1046 C CD  . GLN A 159 ? 0.69235 0.73453 0.63641 -0.06720 0.02762  0.02846  158 GLN A CD  
1047 O OE1 . GLN A 159 ? 0.58217 0.58613 0.51100 -0.05743 0.04288  0.05594  158 GLN A OE1 
1048 N NE2 . GLN A 159 ? 0.66698 0.71964 0.65933 -0.08951 0.02699  -0.00245 158 GLN A NE2 
1049 N N   . PRO A 160 ? 0.32214 0.36369 0.19040 -0.01333 0.01335  0.03647  159 PRO A N   
1050 C CA  . PRO A 160 ? 0.32046 0.35327 0.16977 -0.02146 0.01421  0.02658  159 PRO A CA  
1051 C C   . PRO A 160 ? 0.35883 0.37153 0.20334 -0.02150 0.01821  0.01711  159 PRO A C   
1052 O O   . PRO A 160 ? 0.36869 0.37907 0.20677 -0.03156 0.01361  0.01189  159 PRO A O   
1053 C CB  . PRO A 160 ? 0.34233 0.37313 0.17132 -0.02100 0.02305  0.02304  159 PRO A CB  
1054 C CG  . PRO A 160 ? 0.33140 0.37905 0.17160 -0.01527 0.02314  0.03367  159 PRO A CG  
1055 C CD  . PRO A 160 ? 0.36377 0.41477 0.22691 -0.00982 0.01930  0.04081  159 PRO A CD  
1056 N N   . ARG A 161 ? 0.35306 0.35309 0.20005 -0.01094 0.02657  0.01561  160 ARG A N   
1057 C CA  . ARG A 161 ? 0.37544 0.35321 0.21578 -0.01059 0.03078  0.00743  160 ARG A CA  
1058 C C   . ARG A 161 ? 0.35033 0.33443 0.20907 -0.01512 0.02106  0.00977  160 ARG A C   
1059 O O   . ARG A 161 ? 0.38718 0.35879 0.23784 -0.02240 0.02061  0.00262  160 ARG A O   
1060 C CB  . ARG A 161 ? 0.42082 0.38689 0.26131 0.00447  0.04165  0.00774  160 ARG A CB  
1061 N N   . GLU A 162 ? 0.33915 0.34140 0.22014 -0.01165 0.01369  0.01964  161 GLU A N   
1062 C CA  . GLU A 162 ? 0.31205 0.32006 0.20909 -0.01392 0.00526  0.02217  161 GLU A CA  
1063 C C   . GLU A 162 ? 0.31773 0.33842 0.21079 -0.02405 -0.00282 0.02165  161 GLU A C   
1064 O O   . GLU A 162 ? 0.29927 0.32207 0.19613 -0.02880 -0.00691 0.01890  161 GLU A O   
1065 C CB  . GLU A 162 ? 0.34943 0.36745 0.26593 -0.00731 0.00108  0.03242  161 GLU A CB  
1066 C CG  . GLU A 162 ? 0.35616 0.36831 0.27902 0.00086  0.00776  0.03379  161 GLU A CG  
1067 C CD  . GLU A 162 ? 0.48325 0.50572 0.41981 0.00324  0.00434  0.04374  161 GLU A CD  
1068 O OE1 . GLU A 162 ? 0.37361 0.40446 0.30922 -0.00007 -0.00030 0.04988  161 GLU A OE1 
1069 O OE2 . GLU A 162 ? 0.56507 0.58632 0.51133 0.00739  0.00642  0.04568  161 GLU A OE2 
1070 N N   . ARG A 163 ? 0.28420 0.31688 0.16957 -0.02766 -0.00525 0.02495  162 ARG A N   
1071 C CA  . ARG A 163 ? 0.31612 0.36553 0.19650 -0.03731 -0.01280 0.02524  162 ARG A CA  
1072 C C   . ARG A 163 ? 0.34746 0.38836 0.21036 -0.04981 -0.01017 0.01383  162 ARG A C   
1073 O O   . ARG A 163 ? 0.33487 0.39151 0.19914 -0.05856 -0.01687 0.01347  162 ARG A O   
1074 C CB  . ARG A 163 ? 0.29725 0.35948 0.16874 -0.03976 -0.01470 0.03021  162 ARG A CB  
1075 C CG  . ARG A 163 ? 0.28422 0.35686 0.16986 -0.03115 -0.01986 0.04310  162 ARG A CG  
1076 C CD  . ARG A 163 ? 0.29564 0.38038 0.17038 -0.03453 -0.02160 0.04836  162 ARG A CD  
1077 N NE  . ARG A 163 ? 0.30384 0.40835 0.17166 -0.04246 -0.02858 0.04949  162 ARG A NE  
1078 C CZ  . ARG A 163 ? 0.30809 0.43042 0.18592 -0.03861 -0.03733 0.05897  162 ARG A CZ  
1079 N NH1 . ARG A 163 ? 0.32245 0.43962 0.21529 -0.02721 -0.03977 0.06700  162 ARG A NH1 
1080 N NH2 . ARG A 163 ? 0.30591 0.45195 0.17685 -0.04606 -0.04331 0.06060  162 ARG A NH2 
1081 N N   . GLU A 164 ? 0.32523 0.34109 0.16962 -0.05092 0.00002  0.00484  163 GLU A N   
1082 C CA  . GLU A 164 ? 0.41065 0.41069 0.23189 -0.06488 0.00358  -0.00660 163 GLU A CA  
1083 C C   . GLU A 164 ? 0.40322 0.39555 0.23298 -0.06609 0.00262  -0.00929 163 GLU A C   
1084 O O   . GLU A 164 ? 0.40893 0.39902 0.22507 -0.08151 0.00114  -0.01603 163 GLU A O   
1085 C CB  . GLU A 164 ? 0.44377 0.41231 0.23791 -0.06333 0.01651  -0.01542 163 GLU A CB  
1086 C CG  . GLU A 164 ? 0.56744 0.54089 0.34520 -0.06627 0.01888  -0.01586 163 GLU A CG  
1087 C CD  . GLU A 164 ? 0.56449 0.54745 0.32199 -0.08707 0.01388  -0.02112 163 GLU A CD  
1088 O OE1 . GLU A 164 ? 0.69965 0.69418 0.44740 -0.09060 0.01320  -0.01957 163 GLU A OE1 
1089 O OE2 . GLU A 164 ? 0.57263 0.55362 0.32321 -0.10099 0.01064  -0.02645 163 GLU A OE2 
1090 N N   . ALA A 165 ? 0.34180 0.33114 0.19256 -0.05180 0.00340  -0.00402 164 ALA A N   
1091 C CA  . ALA A 165 ? 0.39000 0.36884 0.24781 -0.05133 0.00406  -0.00668 164 ALA A CA  
1092 C C   . ALA A 165 ? 0.39264 0.39730 0.27279 -0.05244 -0.00617 -0.00068 164 ALA A C   
1093 O O   . ALA A 165 ? 0.38308 0.38353 0.26687 -0.05591 -0.00662 -0.00368 164 ALA A O   
1094 C CB  . ALA A 165 ? 0.38629 0.34883 0.25307 -0.03544 0.01109  -0.00429 164 ALA A CB  
1095 N N   . VAL A 166 ? 0.30948 0.33961 0.20303 -0.04855 -0.01372 0.00810  165 VAL A N   
1096 C CA  A VAL A 166 ? 0.32549 0.37891 0.23882 -0.04515 -0.02213 0.01504  165 VAL A CA  
1097 C CA  B VAL A 166 ? 0.32637 0.37844 0.23986 -0.04500 -0.02179 0.01471  165 VAL A CA  
1098 C C   . VAL A 166 ? 0.35806 0.42807 0.26576 -0.05948 -0.02633 0.01078  165 VAL A C   
1099 O O   . VAL A 166 ? 0.36584 0.44238 0.25558 -0.07363 -0.02694 0.00639  165 VAL A O   
1100 C CB  A VAL A 166 ? 0.37146 0.44409 0.29308 -0.03760 -0.02799 0.02564  165 VAL A CB  
1101 C CB  B VAL A 166 ? 0.37400 0.44368 0.29863 -0.03547 -0.02750 0.02588  165 VAL A CB  
1102 C CG1 A VAL A 166 ? 0.32179 0.42142 0.25691 -0.03419 -0.03626 0.03293  165 VAL A CG1 
1103 C CG1 B VAL A 166 ? 0.27655 0.36544 0.18950 -0.04381 -0.03148 0.02747  165 VAL A CG1 
1104 C CG2 A VAL A 166 ? 0.34540 0.40390 0.27565 -0.02513 -0.02494 0.03104  165 VAL A CG2 
1105 C CG2 B VAL A 166 ? 0.34952 0.43251 0.29312 -0.02612 -0.03317 0.03324  165 VAL A CG2 
1106 N N   A ARG A 167 ? 0.30890 0.38772 0.23071 -0.05734 -0.02920 0.01210  166 ARG A N   
1107 N N   B ARG A 167 ? 0.30848 0.38810 0.23034 -0.05743 -0.02938 0.01224  166 ARG A N   
1108 C CA  A ARG A 167 ? 0.33394 0.43293 0.25217 -0.07175 -0.03309 0.00881  166 ARG A CA  
1109 C CA  B ARG A 167 ? 0.33334 0.43318 0.25104 -0.07218 -0.03325 0.00885  166 ARG A CA  
1110 C C   A ARG A 167 ? 0.30397 0.43627 0.24419 -0.06236 -0.04044 0.01809  166 ARG A C   
1111 C C   B ARG A 167 ? 0.30385 0.43581 0.24380 -0.06272 -0.04034 0.01784  166 ARG A C   
1112 O O   A ARG A 167 ? 0.27411 0.40065 0.23020 -0.04541 -0.04040 0.02407  166 ARG A O   
1113 O O   B ARG A 167 ? 0.27391 0.39898 0.22973 -0.04612 -0.04002 0.02331  166 ARG A O   
1114 C CB  A ARG A 167 ? 0.41391 0.48774 0.32261 -0.08067 -0.02721 -0.00057 166 ARG A CB  
1115 C CB  B ARG A 167 ? 0.41417 0.48829 0.32014 -0.08255 -0.02720 -0.00113 166 ARG A CB  
1116 C CG  A ARG A 167 ? 0.37882 0.41535 0.26072 -0.08861 -0.01828 -0.01009 166 ARG A CG  
1117 C CG  B ARG A 167 ? 0.32250 0.37611 0.24232 -0.06861 -0.02316 -0.00025 166 ARG A CG  
1118 C CD  A ARG A 167 ? 0.44765 0.49112 0.30558 -0.10726 -0.01935 -0.01499 166 ARG A CD  
1119 C CD  B ARG A 167 ? 0.47865 0.51001 0.38639 -0.07909 -0.01798 -0.00866 166 ARG A CD  
1120 N NE  A ARG A 167 ? 0.55241 0.55516 0.38008 -0.11375 -0.00935 -0.02477 166 ARG A NE  
1121 N NE  B ARG A 167 ? 0.49010 0.54030 0.38777 -0.09919 -0.02183 -0.01250 166 ARG A NE  
1122 C CZ  A ARG A 167 ? 0.48099 0.47179 0.29759 -0.10827 -0.00500 -0.02535 166 ARG A CZ  
1123 C CZ  B ARG A 167 ? 0.49244 0.52099 0.36730 -0.11653 -0.01724 -0.02135 166 ARG A CZ  
1124 N NH1 A ARG A 167 ? 0.46650 0.48121 0.30003 -0.09734 -0.01004 -0.01654 166 ARG A NH1 
1125 N NH1 B ARG A 167 ? 0.58373 0.56888 0.44339 -0.11333 -0.00806 -0.02698 166 ARG A NH1 
1126 N NH2 A ARG A 167 ? 0.56006 0.51234 0.34580 -0.11343 0.00530  -0.03477 166 ARG A NH2 
1127 N NH2 B ARG A 167 ? 0.50771 0.55912 0.37316 -0.13775 -0.02172 -0.02395 166 ARG A NH2 
1128 N N   . PRO A 168 ? 0.31160 0.47972 0.25150 -0.07292 -0.04638 0.01983  167 PRO A N   
1129 C CA  . PRO A 168 ? 0.22850 0.43154 0.18871 -0.06050 -0.05240 0.02985  167 PRO A CA  
1130 C C   . PRO A 168 ? 0.23756 0.43649 0.20944 -0.05691 -0.05054 0.02766  167 PRO A C   
1131 O O   . PRO A 168 ? 0.30718 0.49159 0.27000 -0.07136 -0.04708 0.01864  167 PRO A O   
1132 C CB  . PRO A 168 ? 0.33990 0.58789 0.29455 -0.07521 -0.05889 0.03232  167 PRO A CB  
1133 C CG  . PRO A 168 ? 0.44790 0.67864 0.37841 -0.10094 -0.05550 0.02001  167 PRO A CG  
1134 C CD  . PRO A 168 ? 0.38131 0.56243 0.30064 -0.09618 -0.04785 0.01387  167 PRO A CD  
1135 N N   . GLY A 169 ? 0.22981 0.43951 0.21949 -0.03724 -0.05241 0.03621  168 GLY A N   
1136 C CA  . GLY A 169 ? 0.27217 0.48256 0.27375 -0.03189 -0.05095 0.03528  168 GLY A CA  
1137 C C   . GLY A 169 ? 0.31991 0.56792 0.33618 -0.01625 -0.05530 0.04585  168 GLY A C   
1138 O O   . GLY A 169 ? 0.26699 0.53741 0.28409 -0.00790 -0.05925 0.05465  168 GLY A O   
1139 N N   . VAL A 170 ? 0.27704 0.53190 0.30387 -0.01102 -0.05400 0.04546  169 VAL A N   
1140 C CA  . VAL A 170 ? 0.25049 0.53645 0.29052 0.00839  -0.05608 0.05549  169 VAL A CA  
1141 C C   . VAL A 170 ? 0.33755 0.59254 0.38401 0.02463  -0.05124 0.05503  169 VAL A C   
1142 O O   . VAL A 170 ? 0.22676 0.46158 0.27355 0.01597  -0.04788 0.04687  169 VAL A O   
1143 C CB  . VAL A 170 ? 0.33586 0.67371 0.38201 -0.00147 -0.05950 0.05680  169 VAL A CB  
1144 C CG1 . VAL A 170 ? 0.23841 0.56625 0.28203 -0.02103 -0.05686 0.04606  169 VAL A CG1 
1145 C CG2 . VAL A 170 ? 0.25770 0.61197 0.31371 0.02155  -0.05570 0.06516  169 VAL A CG2 
1146 N N   . LEU A 171 ? 0.26765 0.51529 0.31618 0.04728  -0.05055 0.06378  170 LEU A N   
1147 C CA  . LEU A 171 ? 0.26926 0.48956 0.32064 0.06296  -0.04588 0.06409  170 LEU A CA  
1148 C C   . LEU A 171 ? 0.26488 0.52035 0.32607 0.07591  -0.04561 0.06898  170 LEU A C   
1149 O O   . LEU A 171 ? 0.29741 0.57188 0.35716 0.08649  -0.04455 0.07565  170 LEU A O   
1150 C CB  . LEU A 171 ? 0.31669 0.50525 0.35972 0.07922  -0.04427 0.07067  170 LEU A CB  
1151 C CG  . LEU A 171 ? 0.35221 0.51255 0.39265 0.09750  -0.03936 0.07303  170 LEU A CG  
1152 C CD1 . LEU A 171 ? 0.39721 0.53186 0.43963 0.08690  -0.03586 0.06304  170 LEU A CD1 
1153 C CD2 . LEU A 171 ? 0.42763 0.55395 0.45452 0.10825  -0.03809 0.07942  170 LEU A CD2 
1154 N N   . ARG A 172 ? 0.26262 0.51436 0.32927 0.07140  -0.04265 0.06248  171 ARG A N   
1155 C CA  . ARG A 172 ? 0.27625 0.55971 0.35026 0.07766  -0.04051 0.06418  171 ARG A CA  
1156 C C   . ARG A 172 ? 0.31139 0.57133 0.38333 0.09946  -0.03407 0.06617  171 ARG A C   
1157 O O   . ARG A 172 ? 0.31293 0.59214 0.38471 0.11130  -0.03039 0.07035  171 ARG A O   
1158 C CB  . ARG A 172 ? 0.27412 0.57624 0.35462 0.05685  -0.04197 0.05641  171 ARG A CB  
1159 C CG  . ARG A 172 ? 0.25694 0.58215 0.33365 0.03150  -0.04684 0.05308  171 ARG A CG  
1160 C CD  . ARG A 172 ? 0.34704 0.69026 0.42514 0.01131  -0.04623 0.04643  171 ARG A CD  
1161 N NE  . ARG A 172 ? 0.31232 0.66612 0.38009 -0.01625 -0.04929 0.04145  171 ARG A NE  
1162 C CZ  . ARG A 172 ? 0.35395 0.74008 0.41648 -0.02575 -0.04947 0.04445  171 ARG A CZ  
1163 N NH1 . ARG A 172 ? 0.35227 0.76812 0.42069 -0.00925 -0.04732 0.05314  171 ARG A NH1 
1164 N NH2 . ARG A 172 ? 0.42427 0.81134 0.47297 -0.05267 -0.05099 0.03871  171 ARG A NH2 
1165 N N   . SER A 173 ? 0.31106 0.52941 0.37897 0.10443  -0.03205 0.06343  172 SER A N   
1166 C CA  . SER A 173 ? 0.33893 0.52939 0.40003 0.12182  -0.02537 0.06386  172 SER A CA  
1167 C C   . SER A 173 ? 0.27262 0.41289 0.32406 0.12300  -0.02383 0.06176  172 SER A C   
1168 O O   . SER A 173 ? 0.26065 0.38460 0.31169 0.10409  -0.02578 0.05575  172 SER A O   
1169 C CB  . SER A 173 ? 0.30676 0.51423 0.37576 0.12088  -0.02237 0.05940  172 SER A CB  
1170 O OG  . SER A 173 ? 0.29246 0.48608 0.36601 0.10527  -0.02337 0.05157  172 SER A OG  
1171 N N   . ARG A 174 ? 0.34232 0.44901 0.38014 0.13696  -0.01799 0.06300  173 ARG A N   
1172 C CA  . ARG A 174 ? 0.38819 0.44506 0.41289 0.13540  -0.01539 0.06039  173 ARG A CA  
1173 C C   . ARG A 174 ? 0.51212 0.54532 0.52431 0.14791  -0.00813 0.05896  173 ARG A C   
1174 O O   . ARG A 174 ? 0.53998 0.56484 0.54015 0.16101  -0.00462 0.06356  173 ARG A O   
1175 C CB  . ARG A 174 ? 0.43740 0.47089 0.45047 0.13371  -0.01732 0.06493  173 ARG A CB  
1176 C CG  . ARG A 174 ? 0.48572 0.46663 0.47887 0.13315  -0.01318 0.06374  173 ARG A CG  
1177 C CD  . ARG A 174 ? 0.54815 0.51029 0.52934 0.13072  -0.01505 0.06910  173 ARG A CD  
1178 N NE  . ARG A 174 ? 0.69371 0.68359 0.68649 0.12331  -0.02120 0.07186  173 ARG A NE  
1179 C CZ  . ARG A 174 ? 0.53820 0.51761 0.53127 0.10526  -0.02323 0.06815  173 ARG A CZ  
1180 N NH1 . ARG A 174 ? 0.52790 0.47345 0.51111 0.09621  -0.02071 0.06488  173 ARG A NH1 
1181 N NH2 . ARG A 174 ? 0.51411 0.51898 0.51623 0.09590  -0.02754 0.06798  173 ARG A NH2 
1182 N N   . ALA A 175 ? 0.35807 0.38291 0.37253 0.14444  -0.00553 0.05283  174 ALA A N   
1183 C CA  . ALA A 175 ? 0.28583 0.29014 0.28778 0.15495  0.00160  0.05047  174 ALA A CA  
1184 C C   . ALA A 175 ? 0.36626 0.33430 0.35996 0.14523  0.00377  0.04390  174 ALA A C   
1185 O O   . ALA A 175 ? 0.34885 0.31594 0.35041 0.12852  -0.00019 0.04055  174 ALA A O   
1186 C CB  . ALA A 175 ? 0.38655 0.43169 0.40090 0.16276  0.00347  0.05025  174 ALA A CB  
1187 N N   . GLU A 176 ? 0.37166 0.31079 0.34792 0.15199  0.01041  0.04120  175 GLU A N   
1188 C CA  . GLU A 176 ? 0.39112 0.29621 0.35626 0.14186  0.01314  0.03468  175 GLU A CA  
1189 C C   . GLU A 176 ? 0.42172 0.34597 0.39646 0.14518  0.01606  0.02982  175 GLU A C   
1190 O O   . GLU A 176 ? 0.39772 0.34577 0.37625 0.15877  0.01919  0.03135  175 GLU A O   
1191 C CB  . GLU A 176 ? 0.44049 0.29808 0.37593 0.14366  0.01878  0.03403  175 GLU A CB  
1192 C CG  . GLU A 176 ? 0.52191 0.35922 0.44636 0.13826  0.01620  0.03865  175 GLU A CG  
1193 C CD  . GLU A 176 ? 0.60153 0.39049 0.49448 0.13565  0.02161  0.03743  175 GLU A CD  
1194 O OE1 . GLU A 176 ? 0.64663 0.41623 0.52408 0.14001  0.02789  0.03316  175 GLU A OE1 
1195 O OE2 . GLU A 176 ? 0.67458 0.44515 0.55687 0.12868  0.01975  0.04081  175 GLU A OE2 
1196 N N   . TYR A 177 ? 0.36200 0.28037 0.34128 0.12740  0.01458  0.02353  176 TYR A N   
1197 C CA  . TYR A 177 ? 0.35358 0.29084 0.34248 0.12419  0.01655  0.01805  176 TYR A CA  
1198 C C   . TYR A 177 ? 0.35540 0.25591 0.32746 0.11312  0.01993  0.01183  176 TYR A C   
1199 O O   . TYR A 177 ? 0.35774 0.23456 0.32201 0.09760  0.01733  0.01105  176 TYR A O   
1200 C CB  . TYR A 177 ? 0.30435 0.28155 0.31880 0.10799  0.01010  0.01662  176 TYR A CB  
1201 C CG  . TYR A 177 ? 0.33753 0.35247 0.36640 0.11440  0.00623  0.02218  176 TYR A CG  
1202 C CD1 . TYR A 177 ? 0.34131 0.35378 0.37100 0.10998  0.00159  0.02605  176 TYR A CD1 
1203 C CD2 . TYR A 177 ? 0.46040 0.51614 0.50114 0.12384  0.00723  0.02386  176 TYR A CD2 
1204 C CE1 . TYR A 177 ? 0.39127 0.43921 0.43227 0.11411  -0.00216 0.03102  176 TYR A CE1 
1205 C CE2 . TYR A 177 ? 0.33184 0.42636 0.38466 0.12725  0.00323  0.02940  176 TYR A CE2 
1206 C CZ  . TYR A 177 ? 0.35556 0.44521 0.40800 0.12193  -0.00157 0.03272  176 TYR A CZ  
1207 O OH  . TYR A 177 ? 0.38144 0.51093 0.44430 0.12357  -0.00576 0.03807  176 TYR A OH  
1208 N N   . THR A 178 ? 0.34217 0.24121 0.30838 0.12031  0.02573  0.00772  177 THR A N   
1209 C CA  . THR A 178 ? 0.36215 0.23353 0.31374 0.10798  0.02880  0.00108  177 THR A CA  
1210 C C   . THR A 178 ? 0.33687 0.24003 0.30566 0.10142  0.02847  -0.00314 177 THR A C   
1211 O O   . THR A 178 ? 0.35864 0.30319 0.34935 0.10442  0.02581  -0.00111 177 THR A O   
1212 C CB  . THR A 178 ? 0.41064 0.23856 0.32978 0.12274  0.03805  -0.00088 177 THR A CB  
1213 O OG1 . THR A 178 ? 0.47489 0.32268 0.39680 0.14493  0.04428  -0.00076 177 THR A OG1 
1214 C CG2 . THR A 178 ? 0.43740 0.23780 0.33919 0.12858  0.03831  0.00438  177 THR A CG2 
1215 N N   . GLU A 179 ? 0.39740 0.28066 0.35398 0.09075  0.03123  -0.00891 178 GLU A N   
1216 C CA  . GLU A 179 ? 0.42529 0.33521 0.39500 0.08460  0.03155  -0.01267 178 GLU A CA  
1217 C C   . GLU A 179 ? 0.46817 0.40215 0.44218 0.10497  0.03720  -0.01251 178 GLU A C   
1218 O O   . GLU A 179 ? 0.47516 0.44276 0.46538 0.10062  0.03644  -0.01388 178 GLU A O   
1219 C CB  . GLU A 179 ? 0.43257 0.31584 0.38518 0.07052  0.03398  -0.01850 178 GLU A CB  
1220 C CG  . GLU A 179 ? 0.49628 0.33698 0.41594 0.08072  0.04280  -0.02265 178 GLU A CG  
1221 C CD  . GLU A 179 ? 0.59211 0.44400 0.50871 0.09882  0.05077  -0.02577 178 GLU A CD  
1222 O OE1 . GLU A 179 ? 0.74448 0.63401 0.68184 0.09463  0.04894  -0.02661 178 GLU A OE1 
1223 O OE2 . GLU A 179 ? 0.73499 0.55786 0.62715 0.11788  0.05942  -0.02696 178 GLU A OE2 
1224 N N   . ALA A 180 ? 0.37709 0.29572 0.33602 0.12763  0.04321  -0.01005 179 ALA A N   
1225 C CA  . ALA A 180 ? 0.38760 0.33357 0.35049 0.15057  0.04942  -0.00835 179 ALA A CA  
1226 C C   . ALA A 180 ? 0.43975 0.43499 0.42770 0.15763  0.04445  -0.00116 179 ALA A C   
1227 O O   . ALA A 180 ? 0.50607 0.53948 0.50399 0.17251  0.04783  0.00135  179 ALA A O   
1228 C CB  . ALA A 180 ? 0.48621 0.39397 0.41930 0.17246  0.05867  -0.00779 179 ALA A CB  
1229 N N   . SER A 181 ? 0.38560 0.38248 0.38255 0.14711  0.03681  0.00243  180 SER A N   
1230 C CA  . SER A 181 ? 0.41641 0.46091 0.43622 0.14778  0.03116  0.00819  180 SER A CA  
1231 C C   . SER A 181 ? 0.39568 0.47603 0.43556 0.12784  0.02670  0.00516  180 SER A C   
1232 O O   . SER A 181 ? 0.44986 0.51455 0.48780 0.11132  0.02606  -0.00033 180 SER A O   
1233 C CB  . SER A 181 ? 0.38434 0.41678 0.40516 0.14094  0.02479  0.01209  180 SER A CB  
1234 O OG  . SER A 181 ? 0.39314 0.38029 0.39078 0.15236  0.02848  0.01381  180 SER A OG  
1235 N N   . GLY A 182 ? 0.40390 0.53264 0.46142 0.12827  0.02351  0.00936  181 GLY A N   
1236 C CA  . GLY A 182 ? 0.44011 0.59751 0.51268 0.10642  0.01888  0.00702  181 GLY A CA  
1237 C C   . GLY A 182 ? 0.35336 0.49264 0.42806 0.08574  0.01216  0.00578  181 GLY A C   
1238 O O   . GLY A 182 ? 0.36093 0.47021 0.42761 0.08802  0.01071  0.00696  181 GLY A O   
1239 N N   . PRO A 183 ? 0.23908 0.39506 0.32259 0.06565  0.00865  0.00366  182 PRO A N   
1240 C CA  . PRO A 183 ? 0.17557 0.31833 0.26010 0.04888  0.00325  0.00335  182 PRO A CA  
1241 C C   . PRO A 183 ? 0.22969 0.38986 0.31822 0.05170  -0.00056 0.00779  182 PRO A C   
1242 O O   . PRO A 183 ? 0.25815 0.45449 0.35292 0.06052  -0.00051 0.01160  182 PRO A O   
1243 C CB  . PRO A 183 ? 0.22446 0.38185 0.31376 0.02925  0.00191  0.00068  182 PRO A CB  
1244 C CG  . PRO A 183 ? 0.29109 0.47997 0.38528 0.03437  0.00526  0.00057  182 PRO A CG  
1245 C CD  . PRO A 183 ? 0.30645 0.48598 0.39542 0.05705  0.01046  0.00109  182 PRO A CD  
1246 N N   . CYS A 184 ? 0.23044 0.36700 0.31511 0.04438  -0.00374 0.00782  183 CYS A N   
1247 C CA  . CYS A 184 ? 0.23202 0.38143 0.31881 0.04203  -0.00787 0.01106  183 CYS A CA  
1248 C C   . CYS A 184 ? 0.33227 0.48655 0.41959 0.02031  -0.01083 0.00832  183 CYS A C   
1249 O O   . CYS A 184 ? 0.28204 0.41083 0.36485 0.01014  -0.01012 0.00509  183 CYS A O   
1250 C CB  . CYS A 184 ? 0.29883 0.41712 0.37832 0.04883  -0.00862 0.01297  183 CYS A CB  
1251 S SG  . CYS A 184 ? 0.46393 0.57398 0.53701 0.07384  -0.00467 0.01699  183 CYS A SG  
1252 N N   . ILE A 185 ? 0.21087 0.39691 0.30143 0.01360  -0.01380 0.01013  184 ILE A N   
1253 C CA  . ILE A 185 ? 0.23121 0.42368 0.31771 -0.00883 -0.01590 0.00721  184 ILE A CA  
1254 C C   . ILE A 185 ? 0.28033 0.46763 0.36135 -0.01369 -0.01913 0.00820  184 ILE A C   
1255 O O   . ILE A 185 ? 0.28014 0.48181 0.36480 -0.00147 -0.02103 0.01271  184 ILE A O   
1256 C CB  . ILE A 185 ? 0.31334 0.55154 0.40529 -0.01727 -0.01662 0.00811  184 ILE A CB  
1257 C CG1 . ILE A 185 ? 0.40982 0.64571 0.49262 -0.04368 -0.01723 0.00392  184 ILE A CG1 
1258 C CG2 . ILE A 185 ? 0.40991 0.68959 0.50782 -0.01124 -0.01981 0.01359  184 ILE A CG2 
1259 C CD1 . ILE A 185 ? 0.49003 0.68578 0.56531 -0.04945 -0.01417 -0.00003 184 ILE A CD1 
1260 N N   . LEU A 186 ? 0.23967 0.40452 0.31007 -0.03028 -0.01914 0.00431  185 LEU A N   
1261 C CA  . LEU A 186 ? 0.22091 0.38494 0.28303 -0.03929 -0.02166 0.00403  185 LEU A CA  
1262 C C   . LEU A 186 ? 0.24657 0.40788 0.29518 -0.06346 -0.02120 -0.00059 185 LEU A C   
1263 O O   . LEU A 186 ? 0.23435 0.38098 0.27828 -0.07133 -0.01834 -0.00339 185 LEU A O   
1264 C CB  . LEU A 186 ? 0.21348 0.34158 0.27054 -0.03172 -0.02066 0.00405  185 LEU A CB  
1265 C CG  . LEU A 186 ? 0.18257 0.27258 0.23134 -0.03609 -0.01687 0.00080  185 LEU A CG  
1266 C CD1 . LEU A 186 ? 0.22524 0.29834 0.25688 -0.05287 -0.01540 -0.00317 185 LEU A CD1 
1267 C CD2 . LEU A 186 ? 0.23507 0.30216 0.28624 -0.02227 -0.01588 0.00323  185 LEU A CD2 
1268 N N   . THR A 187 ? 0.21138 0.38491 0.25099 -0.07635 -0.02381 -0.00130 186 THR A N   
1269 C CA  . THR A 187 ? 0.20058 0.36895 0.22170 -0.10232 -0.02312 -0.00611 186 THR A CA  
1270 C C   . THR A 187 ? 0.21440 0.35610 0.21729 -0.11068 -0.02255 -0.00927 186 THR A C   
1271 O O   . THR A 187 ? 0.22826 0.36342 0.23603 -0.09654 -0.02347 -0.00701 186 THR A O   
1272 C CB  . THR A 187 ? 0.29988 0.52006 0.32449 -0.11649 -0.02695 -0.00430 186 THR A CB  
1273 O OG1 . THR A 187 ? 0.26204 0.50631 0.28511 -0.11958 -0.03119 -0.00206 186 THR A OG1 
1274 C CG2 . THR A 187 ? 0.29900 0.55487 0.34548 -0.10019 -0.02750 0.00066  186 THR A CG2 
1275 N N   . PRO A 188 ? 0.30053 0.42303 0.27927 -0.13410 -0.02035 -0.01472 187 PRO A N   
1276 C CA  . PRO A 188 ? 0.33005 0.42476 0.28767 -0.14195 -0.01872 -0.01849 187 PRO A CA  
1277 C C   . PRO A 188 ? 0.36698 0.49593 0.32965 -0.14258 -0.02423 -0.01590 187 PRO A C   
1278 O O   . PRO A 188 ? 0.35559 0.46446 0.30926 -0.13878 -0.02324 -0.01713 187 PRO A O   
1279 C CB  . PRO A 188 ? 0.35881 0.43039 0.28623 -0.16983 -0.01523 -0.02481 187 PRO A CB  
1280 C CG  . PRO A 188 ? 0.41716 0.48229 0.34964 -0.16896 -0.01276 -0.02415 187 PRO A CG  
1281 C CD  . PRO A 188 ? 0.34443 0.45790 0.30966 -0.15314 -0.01766 -0.01810 187 PRO A CD  
1282 N N   A HIS A 189 ? 0.32570 0.50813 0.30282 -0.14578 -0.02976 -0.01149 188 HIS A N   
1283 N N   B HIS A 189 ? 0.32585 0.50839 0.30284 -0.14593 -0.02978 -0.01150 188 HIS A N   
1284 C CA  A HIS A 189 ? 0.36422 0.58428 0.34331 -0.14945 -0.03522 -0.00806 188 HIS A CA  
1285 C CA  B HIS A 189 ? 0.36421 0.58404 0.34326 -0.14936 -0.03528 -0.00808 188 HIS A CA  
1286 C C   A HIS A 189 ? 0.35527 0.60965 0.36115 -0.12273 -0.03908 0.00083  188 HIS A C   
1287 C C   B HIS A 189 ? 0.35378 0.61406 0.36056 -0.12415 -0.03942 0.00111  188 HIS A C   
1288 O O   A HIS A 189 ? 0.35105 0.63346 0.35904 -0.12111 -0.04330 0.00519  188 HIS A O   
1289 O O   B HIS A 189 ? 0.33607 0.63016 0.34524 -0.12265 -0.04250 0.00642  188 HIS A O   
1290 C CB  A HIS A 189 ? 0.36350 0.60860 0.32990 -0.16650 -0.03333 -0.00643 188 HIS A CB  
1291 C CB  B HIS A 189 ? 0.36711 0.60555 0.32920 -0.16897 -0.03303 -0.00754 188 HIS A CB  
1292 C CG  A HIS A 189 ? 0.39801 0.61000 0.34066 -0.18572 -0.02750 -0.01225 188 HIS A CG  
1293 C CG  B HIS A 189 ? 0.43845 0.63280 0.36676 -0.19169 -0.02741 -0.01510 188 HIS A CG  
1294 N ND1 A HIS A 189 ? 0.47118 0.64050 0.38231 -0.20327 -0.02286 -0.01862 188 HIS A ND1 
1295 N ND1 B HIS A 189 ? 0.43989 0.60673 0.34797 -0.19970 -0.02599 -0.01948 188 HIS A ND1 
1296 C CD2 A HIS A 189 ? 0.45276 0.66525 0.39643 -0.18850 -0.02494 -0.01212 188 HIS A CD2 
1297 C CD2 B HIS A 189 ? 0.45506 0.62570 0.36366 -0.20657 -0.02200 -0.01850 188 HIS A CD2 
1298 C CE1 A HIS A 189 ? 0.41939 0.56369 0.31253 -0.21521 -0.01765 -0.02149 188 HIS A CE1 
1299 C CE1 B HIS A 189 ? 0.49729 0.62332 0.37403 -0.21725 -0.01915 -0.02521 188 HIS A CE1 
1300 N NE2 A HIS A 189 ? 0.39711 0.56800 0.31004 -0.20740 -0.01928 -0.01770 188 HIS A NE2 
1301 N NE2 B HIS A 189 ? 0.52036 0.64787 0.39656 -0.22178 -0.01688 -0.02437 188 HIS A NE2 
1302 N N   . ARG A 190 ? 0.28231 0.53193 0.30560 -0.10144 -0.03709 0.00389  189 ARG A N   
1303 C CA  . ARG A 190 ? 0.26887 0.54645 0.31251 -0.07597 -0.03950 0.01233  189 ARG A CA  
1304 C C   . ARG A 190 ? 0.26754 0.50987 0.31935 -0.05399 -0.03556 0.01282  189 ARG A C   
1305 O O   . ARG A 190 ? 0.23134 0.45409 0.28319 -0.05584 -0.03205 0.00914  189 ARG A O   
1306 C CB  . ARG A 190 ? 0.29462 0.62423 0.35014 -0.07429 -0.04115 0.01758  189 ARG A CB  
1307 C CG  . ARG A 190 ? 0.27779 0.63438 0.34646 -0.04813 -0.04189 0.02712  189 ARG A CG  
1308 C CD  . ARG A 190 ? 0.27986 0.67331 0.35129 -0.04547 -0.03912 0.03167  189 ARG A CD  
1309 N NE  . ARG A 190 ? 0.31958 0.73673 0.39900 -0.02060 -0.03837 0.04108  189 ARG A NE  
1310 C CZ  . ARG A 190 ? 0.33499 0.78300 0.41036 -0.02194 -0.03923 0.04715  189 ARG A CZ  
1311 N NH1 . ARG A 190 ? 0.40123 0.85992 0.46458 -0.04741 -0.04112 0.04458  189 ARG A NH1 
1312 N NH2 . ARG A 190 ? 0.47538 0.94193 0.55662 0.00259  -0.03733 0.05610  189 ARG A NH2 
1313 N N   . ASP A 191 ? 0.22777 0.46330 0.28500 -0.03465 -0.03631 0.01780  190 ASP A N   
1314 C CA  . ASP A 191 ? 0.20236 0.40290 0.26352 -0.01690 -0.03293 0.01840  190 ASP A CA  
1315 C C   . ASP A 191 ? 0.18158 0.33853 0.23239 -0.02625 -0.02933 0.01190  190 ASP A C   
1316 O O   . ASP A 191 ? 0.22689 0.35968 0.28065 -0.01848 -0.02616 0.01097  190 ASP A O   
1317 C CB  . ASP A 191 ? 0.20396 0.41458 0.27633 -0.00319 -0.03081 0.02057  190 ASP A CB  
1318 C CG  . ASP A 191 ? 0.32861 0.58197 0.41050 0.01123  -0.03290 0.02825  190 ASP A CG  
1319 O OD1 . ASP A 191 ? 0.26996 0.52776 0.35135 0.02280  -0.03491 0.03405  190 ASP A OD1 
1320 O OD2 . ASP A 191 ? 0.28676 0.57070 0.37615 0.01203  -0.03221 0.02927  190 ASP A OD2 
1321 N N   . ASN A 192 ? 0.21057 0.35750 0.24747 -0.04266 -0.02932 0.00768  191 ASN A N   
1322 C CA  . ASN A 192 ? 0.21102 0.31797 0.23590 -0.04979 -0.02466 0.00219  191 ASN A CA  
1323 C C   . ASN A 192 ? 0.18109 0.26048 0.20670 -0.03640 -0.02261 0.00407  191 ASN A C   
1324 O O   . ASN A 192 ? 0.19768 0.24862 0.21853 -0.03588 -0.01839 0.00186  191 ASN A O   
1325 C CB  . ASN A 192 ? 0.24091 0.33965 0.24566 -0.07048 -0.02373 -0.00331 191 ASN A CB  
1326 C CG  . ASN A 192 ? 0.28726 0.34400 0.27663 -0.07621 -0.01753 -0.00841 191 ASN A CG  
1327 O OD1 . ASN A 192 ? 0.27273 0.30239 0.25104 -0.07351 -0.01420 -0.00988 191 ASN A OD1 
1328 N ND2 . ASN A 192 ? 0.23085 0.28276 0.21923 -0.08231 -0.01548 -0.01029 191 ASN A ND2 
1329 N N   . LEU A 193 ? 0.19144 0.28030 0.22209 -0.02589 -0.02539 0.00892  192 LEU A N   
1330 C CA  . LEU A 193 ? 0.19708 0.26377 0.22863 -0.01445 -0.02385 0.01169  192 LEU A CA  
1331 C C   . LEU A 193 ? 0.22317 0.29285 0.26599 0.00038  -0.02459 0.01641  192 LEU A C   
1332 O O   . LEU A 193 ? 0.25408 0.34671 0.30278 0.00756  -0.02731 0.02027  192 LEU A O   
1333 C CB  . LEU A 193 ? 0.18101 0.25139 0.20668 -0.01395 -0.02594 0.01411  192 LEU A CB  
1334 C CG  . LEU A 193 ? 0.22106 0.27492 0.23119 -0.02530 -0.02313 0.00920  192 LEU A CG  
1335 C CD1 . LEU A 193 ? 0.29785 0.35871 0.29714 -0.04244 -0.02296 0.00344  192 LEU A CD1 
1336 C CD2 . LEU A 193 ? 0.29905 0.35813 0.30482 -0.02280 -0.02530 0.01245  192 LEU A CD2 
1337 N N   . HIS A 194 ? 0.19680 0.24379 0.24075 0.00517  -0.02177 0.01647  193 HIS A N   
1338 C CA  . HIS A 194 ? 0.16797 0.21145 0.21682 0.01754  -0.02195 0.02045  193 HIS A CA  
1339 C C   . HIS A 194 ? 0.16166 0.18063 0.20685 0.02011  -0.02015 0.02232  193 HIS A C   
1340 O O   . HIS A 194 ? 0.19491 0.20259 0.23726 0.01403  -0.01812 0.02065  193 HIS A O   
1341 C CB  . HIS A 194 ? 0.21561 0.26590 0.27049 0.01971  -0.02069 0.01863  193 HIS A CB  
1342 C CG  . HIS A 194 ? 0.21428 0.25059 0.26897 0.01226  -0.01787 0.01465  193 HIS A CG  
1343 N ND1 . HIS A 194 ? 0.22670 0.27060 0.28568 0.01066  -0.01669 0.01228  193 HIS A ND1 
1344 C CD2 . HIS A 194 ? 0.22715 0.24473 0.27775 0.00735  -0.01573 0.01364  193 HIS A CD2 
1345 C CE1 . HIS A 194 ? 0.18539 0.21432 0.24237 0.00434  -0.01432 0.01000  193 HIS A CE1 
1346 N NE2 . HIS A 194 ? 0.20279 0.21626 0.25492 0.00320  -0.01357 0.01115  193 HIS A NE2 
1347 N N   A GLN A 195 ? 0.21490 0.22628 0.25833 0.02946  -0.02051 0.02642  194 GLN A N   
1348 N N   B GLN A 195 ? 0.21497 0.22622 0.25828 0.02944  -0.02053 0.02648  194 GLN A N   
1349 C CA  A GLN A 195 ? 0.23231 0.22173 0.27017 0.02979  -0.01908 0.02865  194 GLN A CA  
1350 C CA  B GLN A 195 ? 0.23215 0.22141 0.27002 0.02961  -0.01905 0.02862  194 GLN A CA  
1351 C C   A GLN A 195 ? 0.24442 0.22309 0.28007 0.03519  -0.01741 0.02850  194 GLN A C   
1352 C C   B GLN A 195 ? 0.24415 0.22288 0.27984 0.03510  -0.01742 0.02849  194 GLN A C   
1353 O O   A GLN A 195 ? 0.21060 0.19510 0.24582 0.04493  -0.01736 0.02961  194 GLN A O   
1354 O O   B GLN A 195 ? 0.21120 0.19590 0.24648 0.04483  -0.01740 0.02962  194 GLN A O   
1355 C CB  A GLN A 195 ? 0.22552 0.20838 0.25605 0.03332  -0.02054 0.03389  194 GLN A CB  
1356 C CB  B GLN A 195 ? 0.22712 0.20903 0.25748 0.03279  -0.02043 0.03386  194 GLN A CB  
1357 C CG  A GLN A 195 ? 0.24922 0.20892 0.27030 0.03357  -0.01926 0.03709  194 GLN A CG  
1358 C CG  B GLN A 195 ? 0.24412 0.20546 0.26692 0.02895  -0.01906 0.03641  194 GLN A CG  
1359 C CD  A GLN A 195 ? 0.36048 0.31395 0.37463 0.03034  -0.02014 0.04152  194 GLN A CD  
1360 C CD  B GLN A 195 ? 0.35851 0.31122 0.37174 0.03076  -0.02027 0.04206  194 GLN A CD  
1361 O OE1 A GLN A 195 ? 0.32166 0.28541 0.33954 0.02524  -0.02040 0.04081  194 GLN A OE1 
1362 O OE1 B GLN A 195 ? 0.27835 0.24066 0.29115 0.03613  -0.02224 0.04442  194 GLN A OE1 
1363 N NE2 A GLN A 195 ? 0.30003 0.23469 0.30158 0.03344  -0.02002 0.04619  194 GLN A NE2 
1364 N NE2 B GLN A 195 ? 0.26929 0.20565 0.27388 0.02478  -0.01929 0.04478  194 GLN A NE2 
1365 N N   . ILE A 196 ? 0.23570 0.20018 0.26886 0.02932  -0.01566 0.02743  195 ILE A N   
1366 C CA  . ILE A 196 ? 0.22461 0.17655 0.25291 0.03160  -0.01358 0.02605  195 ILE A CA  
1367 C C   . ILE A 196 ? 0.24489 0.17350 0.26004 0.02730  -0.01283 0.02888  195 ILE A C   
1368 O O   . ILE A 196 ? 0.25940 0.18794 0.27532 0.01743  -0.01318 0.02990  195 ILE A O   
1369 C CB  . ILE A 196 ? 0.23719 0.19617 0.27290 0.02527  -0.01238 0.02188  195 ILE A CB  
1370 C CG1 . ILE A 196 ? 0.28338 0.26383 0.32893 0.02580  -0.01311 0.01923  195 ILE A CG1 
1371 C CG2 . ILE A 196 ? 0.24027 0.18756 0.26989 0.02748  -0.01001 0.01982  195 ILE A CG2 
1372 C CD1 . ILE A 196 ? 0.30628 0.29114 0.35690 0.01748  -0.01205 0.01635  195 ILE A CD1 
1373 N N   . ASP A 197 ? 0.24140 0.15037 0.24266 0.03452  -0.01135 0.03062  196 ASP A N   
1374 C CA  . ASP A 197 ? 0.28811 0.16955 0.27108 0.02809  -0.01024 0.03314  196 ASP A CA  
1375 C C   . ASP A 197 ? 0.31540 0.17550 0.28517 0.02682  -0.00681 0.02973  196 ASP A C   
1376 O O   . ASP A 197 ? 0.31939 0.17414 0.28539 0.03957  -0.00409 0.02793  196 ASP A O   
1377 C CB  . ASP A 197 ? 0.32729 0.19233 0.29642 0.03652  -0.01014 0.03827  196 ASP A CB  
1378 C CG  . ASP A 197 ? 0.36723 0.25357 0.34744 0.03936  -0.01340 0.04159  196 ASP A CG  
1379 O OD1 . ASP A 197 ? 0.34421 0.24414 0.33321 0.02922  -0.01521 0.04153  196 ASP A OD1 
1380 O OD2 . ASP A 197 ? 0.40870 0.29802 0.38699 0.05248  -0.01375 0.04479  196 ASP A OD2 
1381 N N   . ALA A 198 ? 0.30723 0.15577 0.26797 0.01155  -0.00659 0.02928  197 ALA A N   
1382 C CA  . ALA A 198 ? 0.29344 0.11589 0.23528 0.00766  -0.00304 0.02582  197 ALA A CA  
1383 C C   . ALA A 198 ? 0.40850 0.19182 0.32206 0.01288  0.00027  0.02780  197 ALA A C   
1384 O O   . ALA A 198 ? 0.41933 0.19038 0.32179 0.00566  -0.00102 0.03233  197 ALA A O   
1385 C CB  . ALA A 198 ? 0.31738 0.14258 0.25644 -0.01265 -0.00429 0.02547  197 ALA A CB  
1386 N N   . VAL A 199 ? 0.37411 0.13631 0.27393 0.02611  0.00523  0.02482  198 VAL A N   
1387 C CA  . VAL A 199 ? 0.39482 0.12740 0.27112 0.03567  0.00950  0.02626  198 VAL A CA  
1388 C C   . VAL A 199 ? 0.42994 0.13272 0.28006 0.02387  0.01389  0.02119  198 VAL A C   
1389 O O   . VAL A 199 ? 0.48933 0.18939 0.33725 0.02450  0.01677  0.01582  198 VAL A O   
1390 C CB  . VAL A 199 ? 0.46372 0.20650 0.34670 0.06117  0.01240  0.02696  198 VAL A CB  
1391 C CG1 . VAL A 199 ? 0.60200 0.31757 0.46044 0.07117  0.01775  0.02807  198 VAL A CG1 
1392 C CG2 . VAL A 199 ? 0.42845 0.20323 0.33477 0.07057  0.00756  0.03229  198 VAL A CG2 
1393 N N   . GLU A 200 ? 0.46996 0.15022 0.29843 0.01326  0.01464  0.02283  199 GLU A N   
1394 C CA  . GLU A 200 ? 0.54444 0.19394 0.34239 -0.00042 0.01866  0.01840  199 GLU A CA  
1395 C C   . GLU A 200 ? 0.59924 0.25731 0.39991 -0.01727 0.01761  0.01341  199 GLU A C   
1396 O O   . GLU A 200 ? 0.60983 0.24974 0.39300 -0.01818 0.02227  0.00784  199 GLU A O   
1397 C CB  . GLU A 200 ? 0.75022 0.36978 0.52432 0.01710  0.02625  0.01619  199 GLU A CB  
1398 C CG  . GLU A 200 ? 0.83220 0.45858 0.61510 0.04210  0.02740  0.02127  199 GLU A CG  
1399 C CD  . GLU A 200 ? 1.07361 0.67261 0.83189 0.06041  0.03566  0.02016  199 GLU A CD  
1400 O OE1 . GLU A 200 ? 1.15927 0.72585 0.88795 0.05197  0.04088  0.01545  199 GLU A OE1 
1401 O OE2 . GLU A 200 ? 1.12870 0.73968 0.89586 0.08307  0.03712  0.02450  199 GLU A OE2 
1402 N N   . GLY A 201 ? 0.47117 0.15779 0.29255 -0.03113 0.01165  0.01603  200 GLY A N   
1403 C CA  . GLY A 201 ? 0.48118 0.18064 0.30478 -0.05008 0.00977  0.01318  200 GLY A CA  
1404 C C   . GLY A 201 ? 0.38621 0.11852 0.24053 -0.04793 0.00593  0.01462  200 GLY A C   
1405 O O   . GLY A 201 ? 0.40512 0.14927 0.27771 -0.03233 0.00461  0.01736  200 GLY A O   
1406 N N   . PRO A 202 ? 0.36193 0.11108 0.22141 -0.06358 0.00401  0.01312  201 PRO A N   
1407 C CA  . PRO A 202 ? 0.32007 0.10784 0.21094 -0.06038 0.00054  0.01457  201 PRO A CA  
1408 C C   . PRO A 202 ? 0.30842 0.10036 0.21153 -0.03975 0.00329  0.01004  201 PRO A C   
1409 O O   . PRO A 202 ? 0.36328 0.12675 0.24793 -0.03087 0.00846  0.00533  201 PRO A O   
1410 C CB  . PRO A 202 ? 0.33269 0.13362 0.22042 -0.08108 -0.00110 0.01406  201 PRO A CB  
1411 C CG  . PRO A 202 ? 0.39470 0.17626 0.25474 -0.09655 -0.00017 0.01342  201 PRO A CG  
1412 C CD  . PRO A 202 ? 0.44626 0.18868 0.28531 -0.08292 0.00477  0.01007  201 PRO A CD  
1413 N N   . ALA A 203 ? 0.27088 0.09890 0.20358 -0.03273 0.00034  0.01168  202 ALA A N   
1414 C CA  . ALA A 203 ? 0.31007 0.14950 0.25648 -0.01666 0.00218  0.00812  202 ALA A CA  
1415 C C   . ALA A 203 ? 0.32463 0.19914 0.29595 -0.01970 -0.00095 0.00944  202 ALA A C   
1416 O O   . ALA A 203 ? 0.25016 0.14088 0.23062 -0.02789 -0.00418 0.01409  202 ALA A O   
1417 C CB  . ALA A 203 ? 0.30620 0.14396 0.25688 0.00133  0.00290  0.00965  202 ALA A CB  
1418 N N   . ALA A 204 ? 0.21566 0.10128 0.19621 -0.01253 0.00064  0.00581  203 ALA A N   
1419 C CA  . ALA A 204 ? 0.22874 0.14235 0.22940 -0.01473 -0.00164 0.00733  203 ALA A CA  
1420 C C   . ALA A 204 ? 0.22983 0.15565 0.24136 -0.00308 -0.00021 0.00434  203 ALA A C   
1421 O O   . ALA A 204 ? 0.23783 0.15474 0.24176 0.00547  0.00310  0.00068  203 ALA A O   
1422 C CB  . ALA A 204 ? 0.20963 0.12927 0.20827 -0.02719 -0.00195 0.00730  203 ALA A CB  
1423 N N   . PHE A 205 ? 0.16965 0.11586 0.19697 -0.00309 -0.00217 0.00616  204 PHE A N   
1424 C CA  . PHE A 205 ? 0.19166 0.15303 0.22847 0.00353  -0.00133 0.00374  204 PHE A CA  
1425 C C   . PHE A 205 ? 0.20692 0.18289 0.25350 -0.00313 -0.00226 0.00480  204 PHE A C   
1426 O O   . PHE A 205 ? 0.18252 0.15902 0.23134 -0.00809 -0.00366 0.00859  204 PHE A O   
1427 C CB  . PHE A 205 ? 0.19490 0.16234 0.23606 0.01241  -0.00236 0.00479  204 PHE A CB  
1428 C CG  . PHE A 205 ? 0.18120 0.15013 0.22636 0.00906  -0.00505 0.00840  204 PHE A CG  
1429 C CD1 . PHE A 205 ? 0.20224 0.18371 0.25555 0.00532  -0.00599 0.00884  204 PHE A CD1 
1430 C CD2 . PHE A 205 ? 0.30323 0.25878 0.34117 0.00946  -0.00595 0.01123  204 PHE A CD2 
1431 C CE1 . PHE A 205 ? 0.24180 0.22214 0.29602 0.00369  -0.00723 0.01166  204 PHE A CE1 
1432 C CE2 . PHE A 205 ? 0.23351 0.19242 0.27492 0.00709  -0.00783 0.01458  204 PHE A CE2 
1433 C CZ  . PHE A 205 ? 0.20487 0.17608 0.25443 0.00519  -0.00818 0.01455  204 PHE A CZ  
1434 N N   A LEU A 206 ? 0.16629 0.15399 0.21720 -0.00241 -0.00089 0.00199  205 LEU A N   
1435 N N   B LEU A 206 ? 0.16687 0.15431 0.21759 -0.00250 -0.00086 0.00196  205 LEU A N   
1436 C CA  A LEU A 206 ? 0.18424 0.18235 0.24112 -0.00870 -0.00118 0.00290  205 LEU A CA  
1437 C CA  B LEU A 206 ? 0.18426 0.18234 0.24116 -0.00855 -0.00121 0.00290  205 LEU A CA  
1438 C C   A LEU A 206 ? 0.17505 0.18163 0.23636 -0.00756 -0.00223 0.00292  205 LEU A C   
1439 C C   B LEU A 206 ? 0.17580 0.18141 0.23693 -0.00717 -0.00237 0.00313  205 LEU A C   
1440 O O   A LEU A 206 ? 0.19430 0.21061 0.25773 -0.00193 -0.00236 0.00119  205 LEU A O   
1441 O O   B LEU A 206 ? 0.20234 0.21540 0.26511 -0.00098 -0.00274 0.00180  205 LEU A O   
1442 C CB  A LEU A 206 ? 0.20103 0.20810 0.25838 -0.01135 0.00082  0.00003  205 LEU A CB  
1443 C CB  B LEU A 206 ? 0.19965 0.20766 0.25748 -0.01099 0.00076  -0.00005 205 LEU A CB  
1444 C CG  A LEU A 206 ? 0.20116 0.21528 0.26129 -0.01902 0.00086  0.00143  205 LEU A CG  
1445 C CG  B LEU A 206 ? 0.20138 0.21508 0.26137 -0.01916 0.00086  0.00154  205 LEU A CG  
1446 C CD1 A LEU A 206 ? 0.14935 0.15728 0.20645 -0.02431 0.00111  0.00468  205 LEU A CD1 
1447 C CD1 B LEU A 206 ? 0.23360 0.24855 0.29111 -0.02397 0.00227  0.00132  205 LEU A CD1 
1448 C CD2 A LEU A 206 ? 0.22840 0.25873 0.29105 -0.02090 0.00232  -0.00177 205 LEU A CD2 
1449 C CD2 B LEU A 206 ? 0.18656 0.21459 0.24987 -0.02100 0.00101  -0.00051 205 LEU A CD2 
1450 N N   . ASP A 207 ? 0.18417 0.18714 0.24502 -0.01251 -0.00256 0.00523  206 ASP A N   
1451 C CA  . ASP A 207 ? 0.22673 0.23339 0.28727 -0.01438 -0.00315 0.00463  206 ASP A CA  
1452 C C   . ASP A 207 ? 0.27307 0.27916 0.32945 -0.02327 -0.00153 0.00411  206 ASP A C   
1453 O O   . ASP A 207 ? 0.22996 0.22743 0.28317 -0.02563 0.00010  0.00644  206 ASP A O   
1454 C CB  . ASP A 207 ? 0.26738 0.26367 0.32551 -0.01148 -0.00386 0.00732  206 ASP A CB  
1455 C CG  . ASP A 207 ? 0.39666 0.38133 0.44964 -0.01393 -0.00179 0.01043  206 ASP A CG  
1456 O OD1 . ASP A 207 ? 0.22925 0.21148 0.28190 -0.01490 -0.00058 0.01293  206 ASP A OD1 
1457 O OD2 . ASP A 207 ? 0.26007 0.23801 0.30805 -0.01383 -0.00097 0.01082  206 ASP A OD2 
1458 N N   . ILE A 208 ? 0.19072 0.20725 0.24576 -0.02899 -0.00198 0.00155  207 ILE A N   
1459 C CA  . ILE A 208 ? 0.17673 0.18763 0.22239 -0.04048 -0.00025 0.00072  207 ILE A CA  
1460 C C   . ILE A 208 ? 0.25948 0.26524 0.29747 -0.04479 -0.00067 -0.00050 207 ILE A C   
1461 O O   . ILE A 208 ? 0.25115 0.27418 0.29429 -0.04358 -0.00328 -0.00182 207 ILE A O   
1462 C CB  . ILE A 208 ? 0.23713 0.26806 0.28481 -0.04874 -0.00027 -0.00165 207 ILE A CB  
1463 C CG1 . ILE A 208 ? 0.27269 0.30847 0.32659 -0.04421 0.00063  -0.00108 207 ILE A CG1 
1464 C CG2 . ILE A 208 ? 0.26180 0.28200 0.29510 -0.06385 0.00170  -0.00238 207 ILE A CG2 
1465 C CD1 . ILE A 208 ? 0.28355 0.34460 0.34191 -0.04874 0.00097  -0.00334 207 ILE A CD1 
1466 N N   . LEU A 209 ? 0.20716 0.18886 0.23106 -0.04917 0.00237  0.00023  208 LEU A N   
1467 C CA  . LEU A 209 ? 0.20073 0.17148 0.21277 -0.05380 0.00310  -0.00161 208 LEU A CA  
1468 C C   . LEU A 209 ? 0.25537 0.20759 0.24706 -0.06829 0.00663  -0.00366 208 LEU A C   
1469 O O   . LEU A 209 ? 0.28729 0.22076 0.27096 -0.06788 0.01023  -0.00126 208 LEU A O   
1470 C CB  . LEU A 209 ? 0.31037 0.26448 0.32135 -0.04195 0.00481  0.00152  208 LEU A CB  
1471 C CG  . LEU A 209 ? 0.50731 0.45850 0.51386 -0.04049 0.00427  0.00025  208 LEU A CG  
1472 C CD1 . LEU A 209 ? 0.44709 0.42387 0.46933 -0.03602 -0.00083 0.00020  208 LEU A CD1 
1473 C CD2 . LEU A 209 ? 0.41608 0.35164 0.42129 -0.02854 0.00730  0.00459  208 LEU A CD2 
1474 N N   . ALA A 210 ? 0.22794 0.18633 0.20978 -0.08237 0.00553  -0.00767 209 ALA A N   
1475 C CA  . ALA A 210 ? 0.25508 0.19672 0.21439 -0.10095 0.00859  -0.01030 209 ALA A CA  
1476 C C   . ALA A 210 ? 0.28977 0.21945 0.22851 -0.11440 0.00944  -0.01459 209 ALA A C   
1477 O O   . ALA A 210 ? 0.34664 0.30642 0.29272 -0.12137 0.00477  -0.01656 209 ALA A O   
1478 C CB  . ALA A 210 ? 0.29381 0.26601 0.26131 -0.11271 0.00575  -0.01112 209 ALA A CB  
1479 N N   . PRO A 211 ? 0.33277 0.21876 0.24377 -0.11785 0.01577  -0.01584 210 PRO A N   
1480 C CA  . PRO A 211 ? 0.39917 0.24897 0.29945 -0.10570 0.02218  -0.01194 210 PRO A CA  
1481 C C   . PRO A 211 ? 0.36595 0.22072 0.28488 -0.08211 0.02185  -0.00751 210 PRO A C   
1482 O O   . PRO A 211 ? 0.30929 0.18717 0.24382 -0.07749 0.01742  -0.00840 210 PRO A O   
1483 C CB  . PRO A 211 ? 0.41938 0.22734 0.28283 -0.11394 0.02887  -0.01520 210 PRO A CB  
1484 C CG  . PRO A 211 ? 0.46842 0.28743 0.32817 -0.12383 0.02603  -0.02040 210 PRO A CG  
1485 C CD  . PRO A 211 ? 0.40179 0.27050 0.28674 -0.13392 0.01759  -0.02115 210 PRO A CD  
1486 N N   . PRO A 212 ? 0.36013 0.19619 0.27743 -0.06754 0.02630  -0.00195 211 PRO A N   
1487 C CA  . PRO A 212 ? 0.32961 0.17166 0.26129 -0.04779 0.02641  0.00270  211 PRO A CA  
1488 C C   . PRO A 212 ? 0.35076 0.17369 0.26693 -0.04429 0.03023  0.00050  211 PRO A C   
1489 O O   . PRO A 212 ? 0.38000 0.17652 0.26964 -0.05570 0.03431  -0.00435 211 PRO A O   
1490 C CB  . PRO A 212 ? 0.38191 0.20891 0.31024 -0.03559 0.03114  0.00996  211 PRO A CB  
1491 C CG  . PRO A 212 ? 0.42231 0.24030 0.33995 -0.04881 0.03197  0.00905  211 PRO A CG  
1492 C CD  . PRO A 212 ? 0.36345 0.17330 0.26406 -0.06887 0.03160  0.00132  211 PRO A CD  
1493 N N   . TYR A 213 ? 0.32404 0.15987 0.25497 -0.02967 0.02915  0.00395  212 TYR A N   
1494 C CA  . TYR A 213 ? 0.33147 0.14883 0.24736 -0.02340 0.03402  0.00294  212 TYR A CA  
1495 C C   . TYR A 213 ? 0.42046 0.19760 0.30877 -0.01565 0.04421  0.00545  212 TYR A C   
1496 O O   . TYR A 213 ? 0.39726 0.16905 0.28643 -0.00776 0.04680  0.01141  212 TYR A O   
1497 C CB  . TYR A 213 ? 0.29559 0.13467 0.23159 -0.00858 0.03182  0.00779  212 TYR A CB  
1498 C CG  . TYR A 213 ? 0.30172 0.17157 0.25815 -0.01339 0.02354  0.00568  212 TYR A CG  
1499 C CD1 . TYR A 213 ? 0.28089 0.15203 0.23064 -0.02073 0.02190  0.00068  212 TYR A CD1 
1500 C CD2 . TYR A 213 ? 0.27620 0.17189 0.25605 -0.01002 0.01788  0.00912  212 TYR A CD2 
1501 C CE1 . TYR A 213 ? 0.22543 0.12424 0.19283 -0.02254 0.01475  0.00036  212 TYR A CE1 
1502 C CE2 . TYR A 213 ? 0.28287 0.20135 0.27776 -0.01193 0.01150  0.00799  212 TYR A CE2 
1503 C CZ  . TYR A 213 ? 0.25370 0.17411 0.24284 -0.01710 0.00998  0.00419  212 TYR A CZ  
1504 O OH  . TYR A 213 ? 0.25793 0.20015 0.26071 -0.01675 0.00407  0.00449  212 TYR A OH  
1505 N N   . ASP A 214 ? 0.43892 0.18629 0.30052 -0.01701 0.05055  0.00121  213 ASP A N   
1506 C CA  . ASP A 214 ? 0.46595 0.17861 0.29979 -0.00686 0.06050  0.00311  213 ASP A CA  
1507 C C   . ASP A 214 ? 0.60806 0.30645 0.42610 0.00012  0.06603  0.00043  213 ASP A C   
1508 O O   . ASP A 214 ? 0.61579 0.29453 0.40969 -0.01378 0.06806  -0.00730 213 ASP A O   
1509 C CB  . ASP A 214 ? 0.56423 0.25543 0.37372 -0.02302 0.06226  -0.00170 213 ASP A CB  
1510 C CG  . ASP A 214 ? 0.77476 0.43587 0.55806 -0.01030 0.07197  0.00157  213 ASP A CG  
1511 O OD1 . ASP A 214 ? 0.68068 0.33917 0.46363 0.01072  0.07769  0.00689  213 ASP A OD1 
1512 O OD2 . ASP A 214 ? 0.86460 0.50589 0.62678 -0.02129 0.07420  -0.00075 213 ASP A OD2 
1513 N N   . PRO A 215 ? 0.54208 0.25284 0.37294 0.02065  0.06853  0.00700  214 PRO A N   
1514 C CA  . PRO A 215 ? 0.58977 0.28991 0.40688 0.02782  0.07397  0.00461  214 PRO A CA  
1515 C C   . PRO A 215 ? 0.62647 0.29045 0.40653 0.02889  0.08372  0.00135  214 PRO A C   
1516 O O   . PRO A 215 ? 0.77352 0.42014 0.53313 0.02253  0.08705  -0.00503 214 PRO A O   
1517 C CB  . PRO A 215 ? 0.60888 0.33496 0.44795 0.05082  0.07525  0.01472  214 PRO A CB  
1518 C CG  . PRO A 215 ? 0.50672 0.26325 0.37629 0.04854  0.06672  0.01992  214 PRO A CG  
1519 C CD  . PRO A 215 ? 0.53501 0.27584 0.39530 0.03526  0.06534  0.01678  214 PRO A CD  
1520 N N   . ASP A 216 ? 0.66040 0.31096 0.42909 0.03648  0.08877  0.00582  215 ASP A N   
1521 C CA  . ASP A 216 ? 0.83908 0.45063 0.56862 0.03809  0.09911  0.00363  215 ASP A CA  
1522 C C   . ASP A 216 ? 0.94565 0.53230 0.64912 0.01172  0.09804  -0.00619 215 ASP A C   
1523 O O   . ASP A 216 ? 1.05302 0.60467 0.72007 0.00930  0.10658  -0.00925 215 ASP A O   
1524 C CB  . ASP A 216 ? 0.90663 0.50963 0.62945 0.05288  0.10484  0.01142  215 ASP A CB  
1525 C CG  . ASP A 216 ? 1.01147 0.64112 0.75504 0.07889  0.10734  0.02216  215 ASP A CG  
1526 O OD1 . ASP A 216 ? 0.93290 0.57521 0.68322 0.08825  0.10883  0.02333  215 ASP A OD1 
1527 O OD2 . ASP A 216 ? 0.98654 0.62674 0.73931 0.08909  0.10774  0.02975  215 ASP A OD2 
1528 N N   . ASP A 217 ? 0.88107 0.48662 0.60109 -0.00852 0.08808  -0.01056 216 ASP A N   
1529 C CA  . ASP A 217 ? 0.82235 0.41429 0.52067 -0.03560 0.08596  -0.01861 216 ASP A CA  
1530 C C   . ASP A 217 ? 0.88924 0.50118 0.59742 -0.05262 0.07857  -0.02520 216 ASP A C   
1531 O O   . ASP A 217 ? 0.97126 0.59053 0.67388 -0.07687 0.07325  -0.03055 216 ASP A O   
1532 C CB  . ASP A 217 ? 0.91522 0.51570 0.62150 -0.04635 0.08107  -0.01738 216 ASP A CB  
1533 C CG  . ASP A 217 ? 1.18292 0.77482 0.86684 -0.07494 0.07894  -0.02437 216 ASP A CG  
1534 O OD1 . ASP A 217 ? 1.16406 0.78142 0.86545 -0.08967 0.07082  -0.02526 216 ASP A OD1 
1535 O OD2 . ASP A 217 ? 1.20667 0.76786 0.85463 -0.08291 0.08576  -0.02835 216 ASP A OD2 
1536 N N   . GLY A 218 ? 0.74412 0.47640 0.47417 -0.06066 -0.02875 -0.08808 217 GLY A N   
1537 C CA  . GLY A 218 ? 0.62148 0.38913 0.36062 -0.07057 -0.03107 -0.09021 217 GLY A CA  
1538 C C   . GLY A 218 ? 0.75883 0.56677 0.52449 -0.07949 -0.03168 -0.08235 217 GLY A C   
1539 O O   . GLY A 218 ? 0.76310 0.60440 0.53806 -0.08857 -0.03478 -0.08176 217 GLY A O   
1540 N N   . ARG A 219 ? 0.55680 0.36906 0.34045 -0.07432 -0.02851 -0.07420 218 ARG A N   
1541 C CA  . ARG A 219 ? 0.48478 0.34249 0.30434 -0.07730 -0.02743 -0.06328 218 ARG A CA  
1542 C C   . ARG A 219 ? 0.46848 0.34245 0.30824 -0.05466 -0.02138 -0.05755 218 ARG A C   
1543 O O   . ARG A 219 ? 0.42814 0.29426 0.27580 -0.04745 -0.01844 -0.05330 218 ARG A O   
1544 C CB  . ARG A 219 ? 0.51126 0.36606 0.33716 -0.09283 -0.02852 -0.05811 218 ARG A CB  
1545 C CG  . ARG A 219 ? 0.75265 0.62780 0.58028 -0.11790 -0.03380 -0.05845 218 ARG A CG  
1546 C CD  . ARG A 219 ? 0.58618 0.46832 0.42495 -0.13099 -0.03273 -0.05169 218 ARG A CD  
1547 N NE  . ARG A 219 ? 0.51647 0.36695 0.34857 -0.12172 -0.02883 -0.04895 218 ARG A NE  
1548 C CZ  . ARG A 219 ? 0.58426 0.39700 0.39503 -0.12473 -0.02796 -0.04809 218 ARG A CZ  
1549 N NH1 . ARG A 219 ? 0.59368 0.38824 0.38425 -0.13609 -0.03038 -0.05131 218 ARG A NH1 
1550 N NH2 . ARG A 219 ? 0.57857 0.37095 0.38660 -0.11616 -0.02510 -0.04361 218 ARG A NH2 
1551 N N   . ASP A 220 ? 0.42329 0.32056 0.27000 -0.04523 -0.01973 -0.05717 219 ASP A N   
1552 C CA  . ASP A 220 ? 0.37623 0.29212 0.24135 -0.02808 -0.01402 -0.05135 219 ASP A CA  
1553 C C   . ASP A 220 ? 0.30416 0.25732 0.19453 -0.03056 -0.01431 -0.04167 219 ASP A C   
1554 O O   . ASP A 220 ? 0.32239 0.29105 0.21608 -0.04188 -0.01905 -0.04002 219 ASP A O   
1555 C CB  . ASP A 220 ? 0.40026 0.31227 0.25092 -0.01377 -0.01044 -0.05774 219 ASP A CB  
1556 C CG  . ASP A 220 ? 0.47326 0.38672 0.33209 0.00403  -0.00445 -0.05615 219 ASP A CG  
1557 O OD1 . ASP A 220 ? 0.38028 0.31244 0.26288 0.00515  -0.00242 -0.04735 219 ASP A OD1 
1558 O OD2 . ASP A 220 ? 0.52252 0.42000 0.36336 0.01749  -0.00201 -0.06433 219 ASP A OD2 
1559 N N   . CYS A 221 ? 0.28530 0.25225 0.19206 -0.01942 -0.00958 -0.03536 220 CYS A N   
1560 C CA  . CYS A 221 ? 0.26115 0.25484 0.18787 -0.01926 -0.00947 -0.02571 220 CYS A CA  
1561 C C   . CYS A 221 ? 0.29723 0.30428 0.21854 -0.01404 -0.00745 -0.02416 220 CYS A C   
1562 O O   . CYS A 221 ? 0.33953 0.34668 0.25831 -0.00524 -0.00204 -0.02534 220 CYS A O   
1563 C CB  . CYS A 221 ? 0.25119 0.24713 0.19546 -0.01357 -0.00589 -0.02005 220 CYS A CB  
1564 S SG  . CYS A 221 ? 0.27898 0.29671 0.24249 -0.01212 -0.00566 -0.00889 220 CYS A SG  
1565 N N   . HIS A 222 ? 0.25329 0.27427 0.17179 -0.01953 -0.01187 -0.02159 221 HIS A N   
1566 C CA  . HIS A 222 ? 0.28613 0.32082 0.19748 -0.01612 -0.01058 -0.01826 221 HIS A CA  
1567 C C   . HIS A 222 ? 0.25351 0.30376 0.17930 -0.01447 -0.01114 -0.00545 221 HIS A C   
1568 O O   . HIS A 222 ? 0.29064 0.34638 0.22760 -0.01678 -0.01578 -0.00110 221 HIS A O   
1569 C CB  . HIS A 222 ? 0.29775 0.33562 0.19167 -0.02282 -0.01626 -0.02397 221 HIS A CB  
1570 C CG  . HIS A 222 ? 0.37947 0.39473 0.25566 -0.02760 -0.01771 -0.03701 221 HIS A CG  
1571 N ND1 . HIS A 222 ? 0.52240 0.52358 0.37756 -0.02168 -0.01426 -0.04659 221 HIS A ND1 
1572 C CD2 . HIS A 222 ? 0.36408 0.36560 0.23792 -0.03787 -0.02205 -0.04203 221 HIS A CD2 
1573 C CE1 . HIS A 222 ? 0.56117 0.53547 0.39955 -0.02725 -0.01712 -0.05716 221 HIS A CE1 
1574 N NE2 . HIS A 222 ? 0.50288 0.47659 0.35200 -0.03879 -0.02178 -0.05403 221 HIS A NE2 
1575 N N   . TYR A 223 ? 0.24798 0.30469 0.17173 -0.01042 -0.00630 0.00044  222 TYR A N   
1576 C CA  . TYR A 223 ? 0.22080 0.28437 0.15166 -0.00962 -0.00664 0.01328  222 TYR A CA  
1577 C C   . TYR A 223 ? 0.24274 0.31705 0.15965 -0.01047 -0.01020 0.01875  222 TYR A C   
1578 O O   . TYR A 223 ? 0.28990 0.36904 0.19148 -0.01151 -0.00931 0.01274  222 TYR A O   
1579 C CB  . TYR A 223 ? 0.20060 0.26394 0.13601 -0.00848 0.00095  0.01785  222 TYR A CB  
1580 C CG  . TYR A 223 ? 0.18581 0.24088 0.13534 -0.00703 0.00333  0.01374  222 TYR A CG  
1581 C CD1 . TYR A 223 ? 0.19099 0.23954 0.15344 -0.00753 0.00121  0.01928  222 TYR A CD1 
1582 C CD2 . TYR A 223 ? 0.25706 0.30957 0.20472 -0.00354 0.00700  0.00393  222 TYR A CD2 
1583 C CE1 . TYR A 223 ? 0.20219 0.24417 0.17601 -0.00653 0.00297  0.01533  222 TYR A CE1 
1584 C CE2 . TYR A 223 ? 0.25301 0.29789 0.21206 -0.00139 0.00817  0.00097  222 TYR A CE2 
1585 C CZ  . TYR A 223 ? 0.27239 0.31333 0.24458 -0.00390 0.00622  0.00681  222 TYR A CZ  
1586 O OH  . TYR A 223 ? 0.22266 0.25733 0.20456 -0.00218 0.00717  0.00392  222 TYR A OH  
1587 N N   . TYR A 224 ? 0.22766 0.30408 0.14784 -0.00864 -0.01451 0.03008  223 TYR A N   
1588 C CA  . TYR A 224 ? 0.23994 0.32603 0.14601 -0.00778 -0.01954 0.03738  223 TYR A CA  
1589 C C   . TYR A 224 ? 0.26953 0.34787 0.17260 -0.00518 -0.01896 0.05260  223 TYR A C   
1590 O O   . TYR A 224 ? 0.27799 0.34334 0.19191 -0.00359 -0.01732 0.05690  223 TYR A O   
1591 C CB  . TYR A 224 ? 0.24719 0.34508 0.15594 -0.00647 -0.02946 0.03534  223 TYR A CB  
1592 C CG  . TYR A 224 ? 0.26865 0.37065 0.17640 -0.01308 -0.03110 0.02094  223 TYR A CG  
1593 C CD1 . TYR A 224 ? 0.29727 0.39171 0.21854 -0.01572 -0.02979 0.01384  223 TYR A CD1 
1594 C CD2 . TYR A 224 ? 0.25531 0.36567 0.14532 -0.01781 -0.03412 0.01446  223 TYR A CD2 
1595 C CE1 . TYR A 224 ? 0.31473 0.40644 0.23078 -0.02379 -0.03144 0.00167  223 TYR A CE1 
1596 C CE2 . TYR A 224 ? 0.37490 0.48207 0.25957 -0.02584 -0.03606 0.00068  223 TYR A CE2 
1597 C CZ  . TYR A 224 ? 0.36389 0.45999 0.26117 -0.02923 -0.03469 -0.00511 223 TYR A CZ  
1598 O OH  . TYR A 224 ? 0.36966 0.45635 0.25787 -0.03910 -0.03678 -0.01766 223 TYR A OH  
1599 N N   . ARG A 225 ? 0.29310 0.37689 0.17809 -0.00554 -0.02053 0.06067  224 ARG A N   
1600 C CA  . ARG A 225 ? 0.32776 0.40059 0.20241 -0.00300 -0.02271 0.07702  224 ARG A CA  
1601 C C   . ARG A 225 ? 0.36906 0.45048 0.23699 0.00547  -0.03393 0.08217  224 ARG A C   
1602 O O   . ARG A 225 ? 0.37048 0.47076 0.23112 0.00428  -0.03786 0.07617  224 ARG A O   
1603 C CB  . ARG A 225 ? 0.30752 0.38215 0.16296 -0.01043 -0.01605 0.08412  224 ARG A CB  
1604 C CG  . ARG A 225 ? 0.61691 0.68350 0.47626 -0.01896 -0.00582 0.08662  224 ARG A CG  
1605 C CD  . ARG A 225 ? 0.55787 0.63868 0.40012 -0.02727 0.00204  0.08973  224 ARG A CD  
1606 N NE  . ARG A 225 ? 0.62815 0.70324 0.44678 -0.02942 -0.00114 0.10562  224 ARG A NE  
1607 C CZ  . ARG A 225 ? 0.70364 0.79358 0.50288 -0.03568 0.00390  0.10959  224 ARG A CZ  
1608 N NH1 . ARG A 225 ? 0.62269 0.73583 0.42375 -0.03872 0.01259  0.09775  224 ARG A NH1 
1609 N NH2 . ARG A 225 ? 0.56649 0.64638 0.34352 -0.03730 0.00027  0.12495  224 ARG A NH2 
1610 N N   A VAL A 226 ? 0.36808 0.43636 0.23716 0.01482  -0.03955 0.09259  225 VAL A N   
1611 N N   B VAL A 226 ? 0.36804 0.43603 0.23700 0.01474  -0.03944 0.09269  225 VAL A N   
1612 C CA  A VAL A 226 ? 0.43207 0.50970 0.29148 0.02600  -0.05058 0.10053  225 VAL A CA  
1613 C CA  B VAL A 226 ? 0.43262 0.50911 0.29194 0.02613  -0.05046 0.10094  225 VAL A CA  
1614 C C   A VAL A 226 ? 0.43713 0.49886 0.26988 0.02601  -0.05082 0.11705  225 VAL A C   
1615 C C   B VAL A 226 ? 0.43754 0.49899 0.26996 0.02567  -0.05057 0.11713  225 VAL A C   
1616 O O   A VAL A 226 ? 0.44816 0.48176 0.27375 0.02271  -0.04574 0.12635  225 VAL A O   
1617 O O   B VAL A 226 ? 0.44829 0.48214 0.27311 0.02172  -0.04517 0.12637  225 VAL A O   
1618 C CB  A VAL A 226 ? 0.46643 0.54028 0.33971 0.04033  -0.05725 0.10226  225 VAL A CB  
1619 C CB  B VAL A 226 ? 0.46726 0.53727 0.33967 0.04041  -0.05670 0.10340  225 VAL A CB  
1620 C CG1 A VAL A 226 ? 0.46134 0.50616 0.34257 0.03974  -0.05081 0.10347  225 VAL A CG1 
1621 C CG1 B VAL A 226 ? 0.47654 0.57919 0.35618 0.04968  -0.06725 0.09916  225 VAL A CG1 
1622 C CG2 A VAL A 226 ? 0.46782 0.54027 0.32478 0.05594  -0.06778 0.11629  225 VAL A CG2 
1623 C CG2 B VAL A 226 ? 0.43077 0.49143 0.32402 0.03661  -0.05005 0.09394  225 VAL A CG2 
1624 N N   . LEU A 227 ? 0.47794 0.55699 0.29391 0.02788  -0.05684 0.12095  226 LEU A N   
1625 C CA  . LEU A 227 ? 0.52396 0.59071 0.31179 0.02437  -0.05553 0.13526  226 LEU A CA  
1626 C C   . LEU A 227 ? 0.69947 0.74726 0.47377 0.03841  -0.06536 0.14739  226 LEU A C   
1627 O O   . LEU A 227 ? 0.57570 0.63932 0.35852 0.05104  -0.07554 0.14372  226 LEU A O   
1628 C CB  . LEU A 227 ? 0.44148 0.53174 0.21939 0.01592  -0.05335 0.12671  226 LEU A CB  
1629 C CG  . LEU A 227 ? 0.44495 0.54805 0.23277 0.00420  -0.04324 0.11268  226 LEU A CG  
1630 C CD1 . LEU A 227 ? 0.51986 0.64195 0.29399 -0.00162 -0.04130 0.10370  226 LEU A CD1 
1631 C CD2 . LEU A 227 ? 0.55023 0.63392 0.33978 -0.00449 -0.03161 0.11731  226 LEU A CD2 
1632 N N   . GLU A 228 ? 0.59701 0.61071 0.34901 0.03504  -0.06223 0.16129  227 GLU A N   
1633 C CA  . GLU A 228 ? 0.81359 0.79897 0.54699 0.04780  -0.07193 0.17383  227 GLU A CA  
1634 C C   . GLU A 228 ? 0.68588 0.67447 0.39379 0.04563  -0.07506 0.17990  227 GLU A C   
1635 O O   . GLU A 228 ? 0.66180 0.63612 0.34941 0.03300  -0.06601 0.18629  227 GLU A O   
1636 C CB  . GLU A 228 ? 0.84170 0.77865 0.56120 0.04436  -0.06787 0.18532  227 GLU A CB  
1637 C CG  . GLU A 228 ? 0.76317 0.69389 0.50650 0.04644  -0.06471 0.17954  227 GLU A CG  
1638 C CD  . GLU A 228 ? 0.67642 0.63859 0.44760 0.06236  -0.07187 0.16783  227 GLU A CD  
1639 O OE1 . GLU A 228 ? 0.69109 0.65097 0.46310 0.07913  -0.08238 0.17001  227 GLU A OE1 
1640 O OE2 . GLU A 228 ? 0.62113 0.61236 0.41409 0.05707  -0.06673 0.15623  227 GLU A OE2 
1641 N N   . PRO A 229 ? 0.58190 0.59151 0.29088 0.05723  -0.08669 0.17791  228 PRO A N   
1642 C CA  . PRO A 229 ? 0.71635 0.73049 0.40044 0.05527  -0.09031 0.18348  228 PRO A CA  
1643 C C   . PRO A 229 ? 0.88596 0.85458 0.53613 0.05593  -0.09299 0.20208  228 PRO A C   
1644 O O   . PRO A 229 ? 0.99405 0.92664 0.64048 0.05886  -0.09548 0.21138  228 PRO A O   
1645 C CB  . PRO A 229 ? 0.68596 0.73269 0.38338 0.06889  -0.10337 0.17723  228 PRO A CB  
1646 C CG  . PRO A 229 ? 0.72690 0.79836 0.45814 0.07113  -0.10195 0.16298  228 PRO A CG  
1647 C CD  . PRO A 229 ? 0.65326 0.69255 0.38944 0.07038  -0.09518 0.16759  228 PRO A CD  
1648 N N   . VAL A 230 ? 0.70659 0.67657 0.33075 0.05143  -0.09297 0.20749  229 VAL A N   
1649 C CA  . VAL A 230 ? 0.91520 0.84328 0.50133 0.05196  -0.09732 0.22547  229 VAL A CA  
1650 C C   . VAL A 230 ? 0.91331 0.85708 0.48920 0.06236  -0.11245 0.23033  229 VAL A C   
1651 O O   . VAL A 230 ? 1.08829 1.03088 0.67319 0.07650  -0.12635 0.23669  229 VAL A O   
1652 C CB  . VAL A 230 ? 0.81318 0.72882 0.37523 0.03834  -0.07947 0.22992  229 VAL A CB  
1653 C CG1 . VAL A 230 ? 0.96157 0.83591 0.48469 0.04278  -0.07995 0.24743  229 VAL A CG1 
1654 C CG2 . VAL A 230 ? 0.81713 0.72790 0.39755 0.02835  -0.06349 0.22641  229 VAL A CG2 
1655 N N   . ASP A 241 ? 1.08618 1.25923 0.99484 0.27105  -0.13412 0.12051  240 ASP A N   
1656 C CA  . ASP A 241 ? 1.02367 1.18244 0.92816 0.24422  -0.13056 0.12262  240 ASP A CA  
1657 C C   . ASP A 241 ? 0.89277 1.09957 0.82274 0.22489  -0.12592 0.10987  240 ASP A C   
1658 O O   . ASP A 241 ? 0.86715 1.09456 0.79671 0.20793  -0.12785 0.10964  240 ASP A O   
1659 C CB  . ASP A 241 ? 1.03466 1.13436 0.92581 0.23866  -0.12413 0.12675  240 ASP A CB  
1660 C CG  . ASP A 241 ? 1.20529 1.24978 1.06532 0.24767  -0.12825 0.14174  240 ASP A CG  
1661 O OD1 . ASP A 241 ? 1.17096 1.21329 1.01463 0.24354  -0.13420 0.15204  240 ASP A OD1 
1662 O OD2 . ASP A 241 ? 1.25515 1.25756 1.10560 0.25770  -0.12543 0.14306  240 ASP A OD2 
1663 N N   . LEU A 242 ? 0.86130 1.08440 0.81146 0.22649  -0.11966 0.09906  241 LEU A N   
1664 C CA  . LEU A 242 ? 0.68865 0.94711 0.65927 0.20442  -0.11452 0.08840  241 LEU A CA  
1665 C C   . LEU A 242 ? 0.67213 0.99255 0.66388 0.20591  -0.11592 0.07914  241 LEU A C   
1666 O O   . LEU A 242 ? 0.79951 1.13556 0.79654 0.22652  -0.11705 0.07734  241 LEU A O   
1667 C CB  . LEU A 242 ? 0.63651 0.87348 0.61528 0.19844  -0.10571 0.08260  241 LEU A CB  
1668 C CG  . LEU A 242 ? 0.62805 0.80457 0.58602 0.19552  -0.10343 0.09146  241 LEU A CG  
1669 C CD1 . LEU A 242 ? 0.59790 0.75976 0.56562 0.18668  -0.09498 0.08474  241 LEU A CD1 
1670 C CD2 . LEU A 242 ? 0.62595 0.79376 0.56893 0.17937  -0.10593 0.09877  241 LEU A CD2 
1671 N N   . PRO A 243 ? 0.65311 1.00959 0.65573 0.18343  -0.11551 0.07277  242 PRO A N   
1672 C CA  . PRO A 243 ? 0.58283 0.92563 0.57886 0.15901  -0.11387 0.07264  242 PRO A CA  
1673 C C   . PRO A 243 ? 0.63200 0.96564 0.60783 0.15686  -0.12098 0.08111  242 PRO A C   
1674 O O   . PRO A 243 ? 0.46751 0.83027 0.44275 0.16358  -0.12778 0.08242  242 PRO A O   
1675 C CB  . PRO A 243 ? 0.55612 0.94426 0.57189 0.13776  -0.11065 0.06044  242 PRO A CB  
1676 C CG  . PRO A 243 ? 0.38319 0.81849 0.41034 0.14944  -0.11450 0.05765  242 PRO A CG  
1677 C CD  . PRO A 243 ? 0.62369 1.03990 0.64586 0.17985  -0.11587 0.06379  242 PRO A CD  
1678 N N   . ARG A 244 ? 0.43888 0.73460 0.39714 0.14697  -0.11925 0.08690  243 ARG A N   
1679 C CA  . ARG A 244 ? 0.49150 0.77578 0.42747 0.14410  -0.12480 0.09534  243 ARG A CA  
1680 C C   . ARG A 244 ? 0.42089 0.70103 0.35004 0.11962  -0.12079 0.09112  243 ARG A C   
1681 O O   . ARG A 244 ? 0.43382 0.70425 0.37022 0.10800  -0.11362 0.08545  243 ARG A O   
1682 C CB  . ARG A 244 ? 0.50543 0.74033 0.41814 0.15970  -0.12672 0.10986  243 ARG A CB  
1683 C CG  . ARG A 244 ? 0.56155 0.75109 0.46310 0.15113  -0.11935 0.11408  243 ARG A CG  
1684 C CD  . ARG A 244 ? 0.65396 0.79843 0.52534 0.15566  -0.12179 0.12956  243 ARG A CD  
1685 N NE  . ARG A 244 ? 0.71509 0.81374 0.57682 0.15044  -0.11436 0.13451  243 ARG A NE  
1686 C CZ  . ARG A 244 ? 0.76468 0.83837 0.63149 0.16154  -0.11165 0.13450  243 ARG A CZ  
1687 N NH1 . ARG A 244 ? 0.78150 0.87001 0.66129 0.18062  -0.11531 0.13026  243 ARG A NH1 
1688 N NH2 . ARG A 244 ? 0.71068 0.74451 0.56847 0.15297  -0.10453 0.13816  243 ARG A NH2 
1689 N N   . GLU A 245 ? 0.47899 0.76659 0.39275 0.11266  -0.12553 0.09356  244 GLU A N   
1690 C CA  . GLU A 245 ? 0.38635 0.67078 0.29039 0.09080  -0.12174 0.08829  244 GLU A CA  
1691 C C   . GLU A 245 ? 0.49329 0.73291 0.37591 0.08929  -0.11632 0.09788  244 GLU A C   
1692 O O   . GLU A 245 ? 0.53738 0.75032 0.40245 0.10148  -0.11892 0.11101  244 GLU A O   
1693 C CB  . GLU A 245 ? 0.48841 0.79807 0.38266 0.08380  -0.12836 0.08602  244 GLU A CB  
1694 C CG  . GLU A 245 ? 0.61687 0.91922 0.49644 0.06307  -0.12431 0.07984  244 GLU A CG  
1695 C CD  . GLU A 245 ? 0.63987 0.96284 0.50654 0.05722  -0.13096 0.07772  244 GLU A CD  
1696 O OE1 . GLU A 245 ? 0.76352 1.07589 0.61131 0.06751  -0.13559 0.08902  244 GLU A OE1 
1697 O OE2 . GLU A 245 ? 0.76197 1.10949 0.63564 0.04130  -0.13170 0.06480  244 GLU A OE2 
1698 N N   . VAL A 246 ? 0.43096 0.66175 0.31404 0.07337  -0.10845 0.09149  245 VAL A N   
1699 C CA  . VAL A 246 ? 0.44691 0.64210 0.31111 0.06844  -0.10135 0.09919  245 VAL A CA  
1700 C C   . VAL A 246 ? 0.37843 0.58113 0.23295 0.04947  -0.09688 0.09045  245 VAL A C   
1701 O O   . VAL A 246 ? 0.41451 0.64374 0.27577 0.03997  -0.09980 0.07834  245 VAL A O   
1702 C CB  . VAL A 246 ? 0.43362 0.60592 0.30750 0.07071  -0.09437 0.10079  245 VAL A CB  
1703 C CG1 . VAL A 246 ? 0.53248 0.68749 0.40962 0.09057  -0.09806 0.10937  245 VAL A CG1 
1704 C CG2 . VAL A 246 ? 0.33781 0.53168 0.23359 0.06011  -0.09121 0.08636  245 VAL A CG2 
1705 N N   . TRP A 247 ? 0.40509 0.58270 0.24257 0.04339  -0.08911 0.09617  246 TRP A N   
1706 C CA  . TRP A 247 ? 0.36848 0.54918 0.19606 0.02754  -0.08258 0.08688  246 TRP A CA  
1707 C C   . TRP A 247 ? 0.34645 0.51236 0.18010 0.02079  -0.07265 0.08407  246 TRP A C   
1708 O O   . TRP A 247 ? 0.46988 0.61063 0.30563 0.02530  -0.06746 0.09345  246 TRP A O   
1709 C CB  . TRP A 247 ? 0.41127 0.58221 0.21280 0.02551  -0.08069 0.09464  246 TRP A CB  
1710 C CG  . TRP A 247 ? 0.42465 0.61262 0.21850 0.03057  -0.09080 0.09579  246 TRP A CG  
1711 C CD1 . TRP A 247 ? 0.44649 0.62832 0.23284 0.04396  -0.09841 0.10897  246 TRP A CD1 
1712 C CD2 . TRP A 247 ? 0.42356 0.63603 0.21526 0.02222  -0.09489 0.08297  246 TRP A CD2 
1713 N NE1 . TRP A 247 ? 0.53902 0.74430 0.32028 0.04495  -0.10699 0.10566  246 TRP A NE1 
1714 C CE2 . TRP A 247 ? 0.45718 0.68185 0.24198 0.03088  -0.10488 0.08969  246 TRP A CE2 
1715 C CE3 . TRP A 247 ? 0.41163 0.63341 0.20442 0.00822  -0.09136 0.06612  246 TRP A CE3 
1716 C CZ2 . TRP A 247 ? 0.53653 0.78587 0.31692 0.02476  -0.11118 0.08054  246 TRP A CZ2 
1717 C CZ3 . TRP A 247 ? 0.42600 0.66729 0.21247 0.00186  -0.09766 0.05663  246 TRP A CZ3 
1718 C CH2 . TRP A 247 ? 0.45886 0.71558 0.24034 0.00951  -0.10734 0.06395  246 TRP A CH2 
1719 N N   . LEU A 248 ? 0.33123 0.50314 0.17046 0.00892  -0.06818 0.06775  247 LEU A N   
1720 C CA  . LEU A 248 ? 0.34756 0.50131 0.19980 0.00278  -0.05765 0.05908  247 LEU A CA  
1721 C C   . LEU A 248 ? 0.33223 0.48067 0.16943 -0.00588 -0.04918 0.05111  247 LEU A C   
1722 O O   . LEU A 248 ? 0.40778 0.56913 0.22953 -0.01074 -0.05238 0.04357  247 LEU A O   
1723 C CB  . LEU A 248 ? 0.31027 0.47276 0.18188 -0.00143 -0.06019 0.04629  247 LEU A CB  
1724 C CG  . LEU A 248 ? 0.33026 0.50254 0.22051 0.00799  -0.06661 0.05173  247 LEU A CG  
1725 C CD1 . LEU A 248 ? 0.32078 0.51258 0.22522 -0.00029 -0.07050 0.03896  247 LEU A CD1 
1726 C CD2 . LEU A 248 ? 0.33259 0.47956 0.23371 0.01388  -0.05935 0.05757  247 LEU A CD2 
1727 N N   . LEU A 249 ? 0.30932 0.44082 0.15072 -0.00722 -0.03860 0.05192  248 LEU A N   
1728 C CA  . LEU A 249 ? 0.31423 0.44407 0.14431 -0.01232 -0.02922 0.04380  248 LEU A CA  
1729 C C   . LEU A 249 ? 0.29577 0.41346 0.14256 -0.01333 -0.02205 0.03418  248 LEU A C   
1730 O O   . LEU A 249 ? 0.33873 0.44626 0.19933 -0.01174 -0.01818 0.04110  248 LEU A O   
1731 C CB  . LEU A 249 ? 0.33001 0.45853 0.14605 -0.01304 -0.02266 0.05671  248 LEU A CB  
1732 C CG  . LEU A 249 ? 0.38878 0.52310 0.19448 -0.01671 -0.01167 0.04865  248 LEU A CG  
1733 C CD1 . LEU A 249 ? 0.35151 0.49791 0.13798 -0.01737 -0.01466 0.03642  248 LEU A CD1 
1734 C CD2 . LEU A 249 ? 0.44514 0.58147 0.23964 -0.02050 -0.00462 0.06337  248 LEU A CD2 
1735 N N   . GLU A 250 ? 0.29397 0.41014 0.13705 -0.01581 -0.02084 0.01836  249 GLU A N   
1736 C CA  . GLU A 250 ? 0.27970 0.38274 0.13475 -0.01476 -0.01412 0.00981  249 GLU A CA  
1737 C C   . GLU A 250 ? 0.33261 0.43797 0.18547 -0.01219 -0.00338 0.01271  249 GLU A C   
1738 O O   . GLU A 250 ? 0.36650 0.48298 0.20247 -0.01229 0.00043  0.01352  249 GLU A O   
1739 C CB  . GLU A 250 ? 0.39072 0.48529 0.23621 -0.01714 -0.01569 -0.00726 249 GLU A CB  
1740 C CG  . GLU A 250 ? 0.42130 0.49894 0.27618 -0.01422 -0.01030 -0.01538 249 GLU A CG  
1741 C CD  . GLU A 250 ? 0.49113 0.55191 0.33304 -0.01775 -0.01366 -0.03068 249 GLU A CD  
1742 O OE1 . GLU A 250 ? 0.66269 0.72701 0.49128 -0.02505 -0.02078 -0.03515 249 GLU A OE1 
1743 O OE2 . GLU A 250 ? 0.58540 0.62814 0.42852 -0.01378 -0.00975 -0.03805 249 GLU A OE2 
1744 N N   . THR A 251 ? 0.31470 0.41309 0.18460 -0.01064 0.00158  0.01404  250 THR A N   
1745 C CA  . THR A 251 ? 0.29026 0.39657 0.16263 -0.01066 0.01099  0.01920  250 THR A CA  
1746 C C   . THR A 251 ? 0.31174 0.41287 0.19846 -0.00656 0.01571  0.01086  250 THR A C   
1747 O O   . THR A 251 ? 0.27822 0.36528 0.17519 -0.00535 0.01116  0.00641  250 THR A O   
1748 C CB  . THR A 251 ? 0.37215 0.47635 0.24935 -0.01567 0.01012  0.03639  250 THR A CB  
1749 O OG1 . THR A 251 ? 0.62326 0.73891 0.49696 -0.02052 0.01912  0.04279  250 THR A OG1 
1750 C CG2 . THR A 251 ? 0.27895 0.36800 0.17538 -0.01498 0.00644  0.03911  250 THR A CG2 
1751 N N   . PRO A 252 ? 0.31234 0.42740 0.19953 -0.00403 0.02464  0.00855  251 PRO A N   
1752 C CA  . PRO A 252 ? 0.26298 0.37638 0.16497 0.00124  0.02823  0.00238  251 PRO A CA  
1753 C C   . PRO A 252 ? 0.30570 0.41127 0.22624 -0.00458 0.02613  0.01165  251 PRO A C   
1754 O O   . PRO A 252 ? 0.27272 0.37541 0.19400 -0.01216 0.02398  0.02364  251 PRO A O   
1755 C CB  . PRO A 252 ? 0.38077 0.52059 0.28023 0.00470  0.03821  0.00013  251 PRO A CB  
1756 C CG  . PRO A 252 ? 0.39203 0.54509 0.27305 0.00135  0.04054  0.00331  251 PRO A CG  
1757 C CD  . PRO A 252 ? 0.41104 0.54808 0.28470 -0.00532 0.03182  0.01104  251 PRO A CD  
1758 N N   . GLN A 253 ? 0.27153 0.37062 0.20460 0.00007  0.02628  0.00566  252 GLN A N   
1759 C CA  . GLN A 253 ? 0.26287 0.35700 0.21238 -0.00500 0.02539  0.01254  252 GLN A CA  
1760 C C   . GLN A 253 ? 0.33033 0.44072 0.28231 -0.01402 0.03094  0.02241  252 GLN A C   
1761 O O   . GLN A 253 ? 0.25130 0.38537 0.20140 -0.01346 0.03796  0.02020  252 GLN A O   
1762 C CB  . GLN A 253 ? 0.22207 0.31287 0.18180 0.00219  0.02601  0.00408  252 GLN A CB  
1763 C CG  . GLN A 253 ? 0.24897 0.33364 0.22419 -0.00234 0.02439  0.00881  252 GLN A CG  
1764 C CD  . GLN A 253 ? 0.22624 0.31184 0.20902 0.00563  0.02522  0.00104  252 GLN A CD  
1765 O OE1 . GLN A 253 ? 0.22920 0.30491 0.20421 0.01485  0.02381  -0.00756 252 GLN A OE1 
1766 N NE2 . GLN A 253 ? 0.19792 0.29402 0.19343 0.00192  0.02707  0.00404  252 GLN A NE2 
1767 N N   . ALA A 254 ? 0.24337 0.34076 0.19767 -0.02257 0.02783  0.03322  253 ALA A N   
1768 C CA  . ALA A 254 ? 0.30418 0.40896 0.25590 -0.03497 0.03216  0.04414  253 ALA A CA  
1769 C C   . ALA A 254 ? 0.30122 0.42695 0.26562 -0.03913 0.03829  0.04085  253 ALA A C   
1770 O O   . ALA A 254 ? 0.27700 0.40173 0.25432 -0.03307 0.03689  0.03335  253 ALA A O   
1771 C CB  . ALA A 254 ? 0.31185 0.38961 0.26168 -0.04106 0.02657  0.05468  253 ALA A CB  
1772 N N   . ASP A 255 ? 0.23591 0.38384 0.19604 -0.05029 0.04507  0.04697  254 ASP A N   
1773 C CA  . ASP A 255 ? 0.31441 0.49041 0.28795 -0.05624 0.05077  0.04436  254 ASP A CA  
1774 C C   . ASP A 255 ? 0.32532 0.48439 0.30908 -0.06548 0.04695  0.04753  254 ASP A C   
1775 O O   . ASP A 255 ? 0.36550 0.54274 0.36398 -0.06440 0.04822  0.04127  254 ASP A O   
1776 C CB  . ASP A 255 ? 0.38387 0.59060 0.35057 -0.07058 0.05920  0.05161  254 ASP A CB  
1777 C CG  . ASP A 255 ? 0.55017 0.79088 0.51338 -0.05879 0.06578  0.04330  254 ASP A CG  
1778 O OD1 . ASP A 255 ? 0.61682 0.86407 0.58748 -0.04033 0.06500  0.03035  254 ASP A OD1 
1779 O OD2 . ASP A 255 ? 0.74620 0.99781 0.69832 -0.06557 0.06917  0.04819  254 ASP A OD2 
1780 N N   . ASP A 256 ? 0.30097 0.42559 0.27576 -0.07336 0.04193  0.05671  255 ASP A N   
1781 C CA  . ASP A 256 ? 0.27421 0.37962 0.25500 -0.08237 0.03851  0.05879  255 ASP A CA  
1782 C C   . ASP A 256 ? 0.24164 0.32425 0.23029 -0.06859 0.03179  0.05174  255 ASP A C   
1783 O O   . ASP A 256 ? 0.31924 0.38240 0.31064 -0.07384 0.02845  0.05254  255 ASP A O   
1784 C CB  . ASP A 256 ? 0.35224 0.42877 0.31579 -0.09876 0.03701  0.07239  255 ASP A CB  
1785 C CG  . ASP A 256 ? 0.49157 0.53729 0.43949 -0.08945 0.03151  0.07875  255 ASP A CG  
1786 O OD1 . ASP A 256 ? 0.42444 0.47548 0.37537 -0.07338 0.02926  0.07268  255 ASP A OD1 
1787 O OD2 . ASP A 256 ? 0.58183 0.59726 0.51263 -0.09874 0.02895  0.09016  255 ASP A OD2 
1788 N N   . PHE A 257 ? 0.21504 0.29965 0.20584 -0.05255 0.02995  0.04449  256 PHE A N   
1789 C CA  . PHE A 257 ? 0.18737 0.25510 0.18550 -0.04170 0.02452  0.03790  256 PHE A CA  
1790 C C   . PHE A 257 ? 0.20277 0.28835 0.21107 -0.03183 0.02606  0.02715  256 PHE A C   
1791 O O   . PHE A 257 ? 0.17303 0.27261 0.17760 -0.02400 0.02857  0.02233  256 PHE A O   
1792 C CB  . PHE A 257 ? 0.19557 0.24693 0.18579 -0.03311 0.01976  0.03878  256 PHE A CB  
1793 C CG  . PHE A 257 ? 0.15831 0.19969 0.15627 -0.02377 0.01541  0.03147  256 PHE A CG  
1794 C CD1 . PHE A 257 ? 0.20985 0.23702 0.21445 -0.02470 0.01281  0.03137  256 PHE A CD1 
1795 C CD2 . PHE A 257 ? 0.18895 0.23449 0.18548 -0.01555 0.01425  0.02437  256 PHE A CD2 
1796 C CE1 . PHE A 257 ? 0.20633 0.22769 0.21724 -0.01760 0.00979  0.02530  256 PHE A CE1 
1797 C CE2 . PHE A 257 ? 0.20169 0.23818 0.20350 -0.01032 0.01071  0.01866  256 PHE A CE2 
1798 C CZ  . PHE A 257 ? 0.19996 0.22651 0.20969 -0.01124 0.00881  0.01951  256 PHE A CZ  
1799 N N   . TRP A 258 ? 0.16612 0.24850 0.18453 -0.03104 0.02412  0.02324  257 TRP A N   
1800 C CA  . TRP A 258 ? 0.14895 0.23632 0.17283 -0.01881 0.02317  0.01424  257 TRP A CA  
1801 C C   . TRP A 258 ? 0.14732 0.21979 0.17788 -0.01931 0.01916  0.01270  257 TRP A C   
1802 O O   . TRP A 258 ? 0.18060 0.24296 0.21229 -0.02870 0.01788  0.01706  257 TRP A O   
1803 C CB  . TRP A 258 ? 0.19921 0.31769 0.22813 -0.01434 0.02766  0.00962  257 TRP A CB  
1804 C CG  . TRP A 258 ? 0.24484 0.38336 0.28525 -0.02235 0.02872  0.01022  257 TRP A CG  
1805 C CD1 . TRP A 258 ? 0.26032 0.40788 0.30946 -0.01562 0.02657  0.00474  257 TRP A CD1 
1806 C CD2 . TRP A 258 ? 0.26834 0.42242 0.31108 -0.03972 0.03184  0.01658  257 TRP A CD2 
1807 N NE1 . TRP A 258 ? 0.24916 0.41978 0.30754 -0.02777 0.02772  0.00659  257 TRP A NE1 
1808 C CE2 . TRP A 258 ? 0.23506 0.40946 0.28950 -0.04408 0.03118  0.01373  257 TRP A CE2 
1809 C CE3 . TRP A 258 ? 0.26143 0.41272 0.29542 -0.05340 0.03472  0.02506  257 TRP A CE3 
1810 C CZ2 . TRP A 258 ? 0.28266 0.47521 0.34096 -0.06391 0.03333  0.01829  257 TRP A CZ2 
1811 C CZ3 . TRP A 258 ? 0.33527 0.50096 0.37118 -0.07291 0.03732  0.03060  257 TRP A CZ3 
1812 C CH2 . TRP A 258 ? 0.37603 0.56263 0.42441 -0.07911 0.03665  0.02679  257 TRP A CH2 
1813 N N   . CYS A 259 ? 0.13674 0.20540 0.16884 -0.00919 0.01720  0.00635  258 CYS A N   
1814 C CA  . CYS A 259 ? 0.14053 0.19556 0.17673 -0.00858 0.01366  0.00453  258 CYS A CA  
1815 C C   . CYS A 259 ? 0.23316 0.29940 0.27321 -0.00105 0.01332  -0.00075 258 CYS A C   
1816 O O   . CYS A 259 ? 0.27521 0.34604 0.31031 0.00917  0.01418  -0.00455 258 CYS A O   
1817 C CB  . CYS A 259 ? 0.15441 0.19025 0.18512 -0.00485 0.01086  0.00383  258 CYS A CB  
1818 S SG  . CYS A 259 ? 0.22916 0.25154 0.26355 -0.00432 0.00768  0.00170  258 CYS A SG  
1819 N N   . GLU A 260 ? 0.15001 0.21963 0.19674 -0.00499 0.01162  -0.00127 259 GLU A N   
1820 C CA  . GLU A 260 ? 0.12656 0.20849 0.17636 0.00311  0.01012  -0.00542 259 GLU A CA  
1821 C C   . GLU A 260 ? 0.17785 0.24092 0.22529 0.00437  0.00652  -0.00671 259 GLU A C   
1822 O O   . GLU A 260 ? 0.16098 0.21098 0.20899 -0.00331 0.00574  -0.00515 259 GLU A O   
1823 C CB  . GLU A 260 ? 0.19554 0.30667 0.25541 -0.00354 0.01077  -0.00547 259 GLU A CB  
1824 C CG  . GLU A 260 ? 0.34571 0.48677 0.40904 -0.00157 0.01496  -0.00550 259 GLU A CG  
1825 C CD  . GLU A 260 ? 0.44575 0.61895 0.51980 -0.01461 0.01611  -0.00435 259 GLU A CD  
1826 O OE1 . GLU A 260 ? 0.41199 0.58968 0.49111 -0.01872 0.01235  -0.00608 259 GLU A OE1 
1827 O OE2 . GLU A 260 ? 0.37016 0.56515 0.44645 -0.02214 0.02076  -0.00175 259 GLU A OE2 
1828 N N   . GLY A 261 ? 0.19648 0.25781 0.23946 0.01499  0.00440  -0.00944 260 GLY A N   
1829 C CA  . GLY A 261 ? 0.17553 0.22142 0.21457 0.01504  0.00148  -0.00992 260 GLY A CA  
1830 C C   . GLY A 261 ? 0.19192 0.25004 0.23822 0.00900  -0.00047 -0.01077 260 GLY A C   
1831 O O   . GLY A 261 ? 0.21062 0.29277 0.26451 0.00720  -0.00073 -0.01157 260 GLY A O   
1832 N N   . GLU A 262 ? 0.18099 0.22491 0.22441 0.00506  -0.00183 -0.01123 261 GLU A N   
1833 C CA  . GLU A 262 ? 0.21331 0.26482 0.25909 0.00089  -0.00453 -0.01347 261 GLU A CA  
1834 C C   . GLU A 262 ? 0.16947 0.20662 0.20632 0.00473  -0.00604 -0.01398 261 GLU A C   
1835 O O   . GLU A 262 ? 0.17234 0.19367 0.20299 0.00658  -0.00438 -0.01240 261 GLU A O   
1836 C CB  . GLU A 262 ? 0.21125 0.26004 0.26111 -0.01174 -0.00392 -0.01444 261 GLU A CB  
1837 C CG  . GLU A 262 ? 0.18906 0.21533 0.23468 -0.01377 -0.00232 -0.01417 261 GLU A CG  
1838 C CD  . GLU A 262 ? 0.33545 0.35328 0.38015 -0.02376 -0.00295 -0.01610 261 GLU A CD  
1839 O OE1 . GLU A 262 ? 0.25653 0.27415 0.29856 -0.02743 -0.00528 -0.02050 261 GLU A OE1 
1840 O OE2 . GLU A 262 ? 0.27583 0.28505 0.31992 -0.02840 -0.00152 -0.01320 261 GLU A OE2 
1841 N N   . PRO A 263 ? 0.20704 0.25174 0.24212 0.00488  -0.00928 -0.01596 262 PRO A N   
1842 C CA  . PRO A 263 ? 0.21140 0.24386 0.23535 0.00846  -0.01040 -0.01539 262 PRO A CA  
1843 C C   . PRO A 263 ? 0.18335 0.20214 0.20523 0.00236  -0.00734 -0.01660 262 PRO A C   
1844 O O   . PRO A 263 ? 0.22067 0.23911 0.24790 -0.00369 -0.00628 -0.01959 262 PRO A O   
1845 C CB  . PRO A 263 ? 0.18820 0.23595 0.21133 0.00885  -0.01496 -0.01772 262 PRO A CB  
1846 C CG  . PRO A 263 ? 0.23924 0.31043 0.27265 0.00959  -0.01678 -0.01850 262 PRO A CG  
1847 C CD  . PRO A 263 ? 0.19805 0.26701 0.23979 0.00286  -0.01252 -0.01810 262 PRO A CD  
1848 N N   . TYR A 264 ? 0.18965 0.19687 0.20213 0.00425  -0.00596 -0.01416 263 TYR A N   
1849 C CA  . TYR A 264 ? 0.17691 0.17863 0.18746 -0.00008 -0.00270 -0.01540 263 TYR A CA  
1850 C C   . TYR A 264 ? 0.22708 0.23211 0.23077 -0.00105 -0.00361 -0.01812 263 TYR A C   
1851 O O   . TYR A 264 ? 0.21168 0.21525 0.20483 0.00140  -0.00584 -0.01527 263 TYR A O   
1852 C CB  . TYR A 264 ? 0.19692 0.18929 0.20008 -0.00109 -0.00063 -0.01135 263 TYR A CB  
1853 C CG  . TYR A 264 ? 0.18122 0.17539 0.18083 -0.00593 0.00281  -0.01191 263 TYR A CG  
1854 C CD1 . TYR A 264 ? 0.14627 0.14856 0.15494 -0.00632 0.00546  -0.01595 263 TYR A CD1 
1855 C CD2 . TYR A 264 ? 0.19354 0.18162 0.17910 -0.00961 0.00354  -0.00815 263 TYR A CD2 
1856 C CE1 . TYR A 264 ? 0.17609 0.18665 0.18290 -0.00859 0.00916  -0.01737 263 TYR A CE1 
1857 C CE2 . TYR A 264 ? 0.21983 0.21593 0.20288 -0.01553 0.00765  -0.00863 263 TYR A CE2 
1858 C CZ  . TYR A 264 ? 0.17206 0.18255 0.16725 -0.01417 0.01068  -0.01380 263 TYR A CZ  
1859 O OH  . TYR A 264 ? 0.18996 0.21502 0.18436 -0.01770 0.01534  -0.01532 263 TYR A OH  
1860 N N   . PRO A 265 ? 0.19157 0.19885 0.19812 -0.00356 -0.00241 -0.02369 264 PRO A N   
1861 C CA  . PRO A 265 ? 0.18204 0.19308 0.18031 -0.00438 -0.00361 -0.02780 264 PRO A CA  
1862 C C   . PRO A 265 ? 0.23639 0.24806 0.22615 -0.00465 0.00054  -0.02826 264 PRO A C   
1863 O O   . PRO A 265 ? 0.20986 0.22548 0.19072 -0.00510 0.00000  -0.03190 264 PRO A O   
1864 C CB  . PRO A 265 ? 0.22762 0.23655 0.23034 -0.00725 -0.00448 -0.03502 264 PRO A CB  
1865 C CG  . PRO A 265 ? 0.26469 0.26605 0.27479 -0.00590 -0.00114 -0.03417 264 PRO A CG  
1866 C CD  . PRO A 265 ? 0.23827 0.24210 0.25327 -0.00493 -0.00117 -0.02689 264 PRO A CD  
1867 N N   . GLY A 266 ? 0.21855 0.22989 0.21053 -0.00539 0.00470  -0.02520 265 GLY A N   
1868 C CA  . GLY A 266 ? 0.20230 0.22171 0.18944 -0.00690 0.00973  -0.02657 265 GLY A CA  
1869 C C   . GLY A 266 ? 0.20584 0.22489 0.17925 -0.01219 0.01075  -0.01999 265 GLY A C   
1870 O O   . GLY A 266 ? 0.21413 0.22249 0.17914 -0.01231 0.00671  -0.01445 265 GLY A O   
1871 N N   . PRO A 267 ? 0.21384 0.24475 0.18317 -0.01628 0.01628  -0.02030 266 PRO A N   
1872 C CA  . PRO A 267 ? 0.26118 0.28998 0.21445 -0.02496 0.01805  -0.01273 266 PRO A CA  
1873 C C   . PRO A 267 ? 0.28495 0.29827 0.23514 -0.03048 0.01620  -0.00508 266 PRO A C   
1874 O O   . PRO A 267 ? 0.24051 0.25661 0.20294 -0.03112 0.01696  -0.00605 266 PRO A O   
1875 C CB  . PRO A 267 ? 0.26949 0.32152 0.22417 -0.02947 0.02559  -0.01557 266 PRO A CB  
1876 C CG  . PRO A 267 ? 0.28321 0.34628 0.25064 -0.01848 0.02676  -0.02626 266 PRO A CG  
1877 C CD  . PRO A 267 ? 0.22386 0.27149 0.20231 -0.01272 0.02132  -0.02729 266 PRO A CD  
1878 N N   . LYS A 268 ? 0.27803 0.27264 0.20916 -0.03363 0.01325  0.00237  267 LYS A N   
1879 C CA  . LYS A 268 ? 0.30490 0.27701 0.22812 -0.03674 0.01051  0.00850  267 LYS A CA  
1880 C C   . LYS A 268 ? 0.34734 0.31856 0.26167 -0.05279 0.01503  0.01321  267 LYS A C   
1881 O O   . LYS A 268 ? 0.31139 0.29703 0.21943 -0.06236 0.02000  0.01470  267 LYS A O   
1882 C CB  . LYS A 268 ? 0.27357 0.22114 0.17700 -0.03033 0.00444  0.01445  267 LYS A CB  
1883 C CG  . LYS A 268 ? 0.34002 0.29661 0.25051 -0.01727 -0.00020 0.01020  267 LYS A CG  
1884 C CD  . LYS A 268 ? 0.33655 0.30440 0.27048 -0.01066 -0.00121 0.00326  267 LYS A CD  
1885 C CE  . LYS A 268 ? 0.31602 0.29765 0.25790 -0.00293 -0.00515 -0.00199 267 LYS A CE  
1886 N NZ  . LYS A 268 ? 0.23071 0.22320 0.19373 -0.00144 -0.00459 -0.00853 267 LYS A NZ  
1887 N N   . VAL A 269 ? 0.31364 0.27007 0.22691 -0.05702 0.01344  0.01510  268 VAL A N   
1888 C CA  . VAL A 269 ? 0.27447 0.22474 0.17515 -0.07547 0.01620  0.02003  268 VAL A CA  
1889 C C   . VAL A 269 ? 0.40875 0.31843 0.27694 -0.08042 0.01259  0.02880  268 VAL A C   
1890 O O   . VAL A 269 ? 0.49247 0.37434 0.35194 -0.06839 0.00681  0.02969  268 VAL A O   
1891 C CB  . VAL A 269 ? 0.30452 0.25848 0.21804 -0.07872 0.01566  0.01673  268 VAL A CB  
1892 C CG1 . VAL A 269 ? 0.37111 0.31571 0.26854 -0.10068 0.01723  0.02154  268 VAL A CG1 
1893 C CG2 . VAL A 269 ? 0.28452 0.27659 0.22620 -0.07268 0.01888  0.00957  268 VAL A CG2 
1894 N N   A PHE A 270 ? 0.43413 0.34040 0.28288 -0.09737 0.01606  0.03547  269 PHE A N   
1895 N N   B PHE A 270 ? 0.43388 0.34026 0.28257 -0.09728 0.01607  0.03550  269 PHE A N   
1896 C CA  A PHE A 270 ? 0.57235 0.43654 0.38461 -0.10380 0.01292  0.04559  269 PHE A CA  
1897 C CA  B PHE A 270 ? 0.57297 0.43577 0.38540 -0.10255 0.01249  0.04541  269 PHE A CA  
1898 C C   A PHE A 270 ? 0.59139 0.43293 0.38418 -0.12722 0.01403  0.05062  269 PHE A C   
1899 C C   B PHE A 270 ? 0.59161 0.43289 0.38402 -0.12684 0.01398  0.05076  269 PHE A C   
1900 O O   A PHE A 270 ? 0.57845 0.45133 0.38389 -0.14483 0.01968  0.04855  269 PHE A O   
1901 O O   B PHE A 270 ? 0.57739 0.45065 0.38196 -0.14465 0.01988  0.04898  269 PHE A O   
1902 C CB  A PHE A 270 ? 0.52268 0.39596 0.32093 -0.10879 0.01604  0.05120  269 PHE A CB  
1903 C CB  B PHE A 270 ? 0.52070 0.38830 0.31779 -0.10421 0.01438  0.05118  269 PHE A CB  
1904 C CG  A PHE A 270 ? 0.54628 0.43706 0.35673 -0.08846 0.01394  0.04659  269 PHE A CG  
1905 C CG  B PHE A 270 ? 0.53119 0.43067 0.32944 -0.12532 0.02311  0.05282  269 PHE A CG  
1906 C CD1 A PHE A 270 ? 0.46961 0.40076 0.31127 -0.08092 0.01737  0.03624  269 PHE A CD1 
1907 C CD1 B PHE A 270 ? 0.67854 0.56425 0.45721 -0.14755 0.02483  0.05942  269 PHE A CD1 
1908 C CD2 A PHE A 270 ? 0.66674 0.53275 0.45476 -0.07760 0.00807  0.05272  269 PHE A CD2 
1909 C CD2 B PHE A 270 ? 0.62469 0.57017 0.44634 -0.11960 0.02848  0.04539  269 PHE A CD2 
1910 C CE1 A PHE A 270 ? 0.48987 0.43402 0.33963 -0.06556 0.01506  0.03130  269 PHE A CE1 
1911 C CE1 B PHE A 270 ? 0.63485 0.55857 0.42219 -0.16267 0.03145  0.05810  269 PHE A CE1 
1912 C CE2 A PHE A 270 ? 0.67893 0.56436 0.47765 -0.06155 0.00550  0.04795  269 PHE A CE2 
1913 C CE2 B PHE A 270 ? 0.56575 0.54534 0.38844 -0.13647 0.03714  0.04613  269 PHE A CE2 
1914 C CZ  A PHE A 270 ? 0.61275 0.53635 0.44204 -0.05700 0.00910  0.03687  269 PHE A CZ  
1915 C CZ  B PHE A 270 ? 0.55381 0.52501 0.36176 -0.15755 0.03835  0.05245  269 PHE A CZ  
1916 N N   . PRO A 271 ? 0.63339 0.42533 0.39839 -0.12528 0.00779  0.05486  270 PRO A N   
1917 C CA  . PRO A 271 ? 0.65207 0.42727 0.40316 -0.14236 0.00641  0.05444  270 PRO A CA  
1918 C C   . PRO A 271 ? 0.71893 0.50617 0.45943 -0.16144 0.01007  0.05932  270 PRO A C   
1919 O O   . PRO A 271 ? 0.71991 0.49461 0.44389 -0.15755 0.00955  0.06584  270 PRO A O   
1920 C CB  . PRO A 271 ? 0.74660 0.46735 0.46977 -0.12847 -0.00136 0.05623  270 PRO A CB  
1921 C CG  . PRO A 271 ? 0.76576 0.48375 0.49832 -0.10275 -0.00424 0.05487  270 PRO A CG  
1922 C CD  . PRO A 271 ? 0.63945 0.39451 0.38851 -0.10224 0.00064  0.05720  270 PRO A CD  
1923 O OXT . PRO A 271 ? 0.87251 0.68394 0.62032 -0.18071 0.01325  0.05691  270 PRO A OXT 
1927 N N   . TYR B 2   ? 0.24217 0.40212 0.48616 0.02466  -0.02973 0.05000  1   TYR B N   
1928 C CA  . TYR B 2   ? 0.21043 0.34676 0.45836 0.05369  -0.01210 0.06664  1   TYR B CA  
1929 C C   . TYR B 2   ? 0.24622 0.32266 0.44854 0.04533  -0.00713 0.04314  1   TYR B C   
1930 O O   . TYR B 2   ? 0.22770 0.29816 0.40368 0.02479  -0.02239 0.02598  1   TYR B O   
1931 C CB  . TYR B 2   ? 0.25120 0.44449 0.52150 0.06887  -0.02484 0.10470  1   TYR B CB  
1932 C CG  . TYR B 2   ? 0.20414 0.42264 0.44413 0.04115  -0.05618 0.09969  1   TYR B CG  
1933 C CD1 . TYR B 2   ? 0.28397 0.45973 0.48764 0.04255  -0.05602 0.09365  1   TYR B CD1 
1934 C CD2 . TYR B 2   ? 0.32305 0.60516 0.56504 0.00741  -0.08136 0.09829  1   TYR B CD2 
1935 C CE1 . TYR B 2   ? 0.36192 0.55294 0.53233 0.01580  -0.07909 0.08710  1   TYR B CE1 
1936 C CE2 . TYR B 2   ? 0.24167 0.53569 0.44286 -0.02646 -0.10258 0.08818  1   TYR B CE2 
1937 C CZ  . TYR B 2   ? 0.41413 0.66029 0.58030 -0.01933 -0.10072 0.08330  1   TYR B CZ  
1938 O OH  . TYR B 2   ? 0.48081 0.72953 0.60142 -0.05256 -0.11607 0.07183  1   TYR B OH  
1939 N N   . ILE B 3   ? 0.23239 0.26335 0.42343 0.05894  0.01971  0.04266  2   ILE B N   
1940 C CA  . ILE B 3   ? 0.25186 0.23965 0.40115 0.04465  0.02536  0.02125  2   ILE B CA  
1941 C C   . ILE B 3   ? 0.27696 0.25250 0.41348 0.05430  0.02410  0.03584  2   ILE B C   
1942 O O   . ILE B 3   ? 0.33878 0.30796 0.49164 0.07940  0.04225  0.06192  2   ILE B O   
1943 C CB  . ILE B 3   ? 0.37051 0.31434 0.50104 0.03685  0.05937  0.00315  2   ILE B CB  
1944 C CG1 . ILE B 3   ? 0.34417 0.30536 0.48676 0.02874  0.06097  -0.00688 2   ILE B CG1 
1945 C CG2 . ILE B 3   ? 0.35342 0.27681 0.44222 0.01251  0.06100  -0.01789 2   ILE B CG2 
1946 C CD1 . ILE B 3   ? 0.32888 0.31623 0.45895 0.01091  0.03829  -0.01900 2   ILE B CD1 
1947 N N   . VAL B 4   ? 0.26627 0.23970 0.37531 0.03842  0.00642  0.02413  3   VAL B N   
1948 C CA  . VAL B 4   ? 0.33372 0.28829 0.42134 0.04230  0.00719  0.03260  3   VAL B CA  
1949 C C   . VAL B 4   ? 0.31604 0.23740 0.36926 0.02313  0.01782  0.00862  3   VAL B C   
1950 O O   . VAL B 4   ? 0.30145 0.23822 0.34769 0.00734  0.00872  -0.00756 3   VAL B O   
1951 C CB  . VAL B 4   ? 0.31496 0.30728 0.39912 0.03746  -0.02313 0.04448  3   VAL B CB  
1952 C CG1 . VAL B 4   ? 0.47502 0.52281 0.59273 0.04409  -0.03713 0.06609  3   VAL B CG1 
1953 C CG2 . VAL B 4   ? 0.40800 0.40077 0.47256 0.01436  -0.03611 0.02080  3   VAL B CG2 
1954 N N   . LYS B 5   ? 0.34316 0.22364 0.37610 0.02513  0.04082  0.01061  4   LYS B N   
1955 C CA  A LYS B 5   ? 0.36894 0.22828 0.36827 0.00018  0.05149  -0.01088 4   LYS B CA  
1956 C CA  B LYS B 5   ? 0.36903 0.22799 0.36825 0.00027  0.05169  -0.01079 4   LYS B CA  
1957 C C   . LYS B 5   ? 0.36140 0.23270 0.34825 -0.00013 0.03063  -0.00533 4   LYS B C   
1958 O O   . LYS B 5   ? 0.49751 0.35286 0.47798 0.01387  0.03167  0.01261  4   LYS B O   
1959 C CB  A LYS B 5   ? 0.46538 0.26274 0.43954 -0.00626 0.09475  -0.01677 4   LYS B CB  
1960 C CB  B LYS B 5   ? 0.46551 0.26208 0.43992 -0.00513 0.09481  -0.01573 4   LYS B CB  
1961 C CG  A LYS B 5   ? 0.49935 0.26789 0.48079 -0.00263 0.12663  -0.02030 4   LYS B CG  
1962 C CG  B LYS B 5   ? 0.49972 0.27024 0.47199 -0.01477 0.12638  -0.02949 4   LYS B CG  
1963 C CD  A LYS B 5   ? 0.56715 0.33665 0.52133 -0.04559 0.14046  -0.05456 4   LYS B CD  
1964 C CD  B LYS B 5   ? 0.50524 0.19787 0.43376 -0.03646 0.18025  -0.04616 4   LYS B CD  
1965 C CE  A LYS B 5   ? 0.56720 0.29403 0.51678 -0.04769 0.18047  -0.06270 4   LYS B CE  
1966 C CE  B LYS B 5   ? 0.68847 0.33569 0.61728 -0.00179 0.20472  -0.01619 4   LYS B CE  
1967 N NZ  A LYS B 5   ? 0.48659 0.26343 0.44239 -0.06824 0.16367  -0.07804 4   LYS B NZ  
1968 N NZ  B LYS B 5   ? 0.66968 0.31241 0.63006 0.03800  0.22576  0.01384  4   LYS B NZ  
1969 N N   . THR B 6   ? 0.30689 0.20729 0.29020 -0.01310 0.01548  -0.01632 5   THR B N   
1970 C CA  . THR B 6   ? 0.35451 0.25954 0.32354 -0.01350 0.00245  -0.01291 5   THR B CA  
1971 C C   . THR B 6   ? 0.32013 0.22826 0.27124 -0.02978 0.01330  -0.02307 5   THR B C   
1972 O O   . THR B 6   ? 0.32180 0.25233 0.27536 -0.04546 0.02251  -0.03268 5   THR B O   
1973 C CB  . THR B 6   ? 0.27920 0.20659 0.25666 -0.01146 -0.01259 -0.01283 5   THR B CB  
1974 O OG1 . THR B 6   ? 0.28758 0.23822 0.27561 -0.01475 -0.00614 -0.01851 5   THR B OG1 
1975 C CG2 . THR B 6   ? 0.34515 0.28380 0.34076 -0.00506 -0.02453 -0.00504 5   THR B CG2 
1976 N N   . PHE B 7   ? 0.32396 0.21931 0.25594 -0.02971 0.01177  -0.01950 6   PHE B N   
1977 C CA  . PHE B 7   ? 0.34623 0.25559 0.26630 -0.04413 0.02194  -0.02545 6   PHE B CA  
1978 C C   . PHE B 7   ? 0.28302 0.23762 0.22012 -0.03963 0.01957  -0.02107 6   PHE B C   
1979 O O   . PHE B 7   ? 0.29472 0.29180 0.23658 -0.05033 0.02793  -0.01909 6   PHE B O   
1980 C CB  . PHE B 7   ? 0.35048 0.23108 0.24492 -0.04281 0.02397  -0.02110 6   PHE B CB  
1981 C CG  . PHE B 7   ? 0.40584 0.24324 0.28294 -0.03980 0.03146  -0.01506 6   PHE B CG  
1982 C CD1 . PHE B 7   ? 0.42591 0.23742 0.29202 -0.05413 0.05592  -0.02315 6   PHE B CD1 
1983 C CD2 . PHE B 7   ? 0.42171 0.24547 0.28886 -0.02505 0.01908  0.00131  6   PHE B CD2 
1984 C CE1 . PHE B 7   ? 0.54907 0.30660 0.39742 -0.04433 0.07536  -0.01155 6   PHE B CE1 
1985 C CE2 . PHE B 7   ? 0.49152 0.28416 0.34711 -0.01355 0.02993  0.01893  6   PHE B CE2 
1986 C CZ  . PHE B 7   ? 0.55174 0.30394 0.39941 -0.01836 0.06163  0.01430  6   PHE B CZ  
1987 N N   . TRP B 8   ? 0.26718 0.21599 0.21266 -0.02434 0.01259  -0.01603 7   TRP B N   
1988 C CA  A TRP B 8   ? 0.26791 0.23597 0.22274 -0.01186 0.02291  -0.00633 7   TRP B CA  
1989 C CA  B TRP B 8   ? 0.26871 0.23569 0.22329 -0.01169 0.02277  -0.00643 7   TRP B CA  
1990 C C   . TRP B 8   ? 0.23979 0.24259 0.22099 -0.00337 0.02374  0.00139  7   TRP B C   
1991 O O   . TRP B 8   ? 0.27251 0.30599 0.26804 0.01212  0.03873  0.01909  7   TRP B O   
1992 C CB  A TRP B 8   ? 0.32161 0.24172 0.25280 -0.00747 0.02751  -0.00918 7   TRP B CB  
1993 C CB  B TRP B 8   ? 0.32197 0.24090 0.25329 -0.00767 0.02653  -0.00966 7   TRP B CB  
1994 C CG  A TRP B 8   ? 0.30548 0.20403 0.22778 -0.01626 0.00951  -0.01706 7   TRP B CG  
1995 C CG  B TRP B 8   ? 0.30571 0.20463 0.22857 -0.01681 0.00767  -0.01726 7   TRP B CG  
1996 C CD1 A TRP B 8   ? 0.32483 0.22456 0.25815 -0.01655 0.00499  -0.01916 7   TRP B CD1 
1997 C CD1 B TRP B 8   ? 0.33942 0.22732 0.24648 -0.02428 -0.00585 -0.01707 7   TRP B CD1 
1998 C CD2 A TRP B 8   ? 0.34036 0.22589 0.24441 -0.02505 -0.00522 -0.01754 7   TRP B CD2 
1999 C CD2 B TRP B 8   ? 0.32316 0.22258 0.25620 -0.01809 0.00209  -0.01976 7   TRP B CD2 
2000 N NE1 A TRP B 8   ? 0.34756 0.24666 0.27429 -0.02730 -0.01385 -0.02079 7   TRP B NE1 
2001 N NE1 B TRP B 8   ? 0.33345 0.22903 0.24574 -0.02818 -0.02160 -0.01475 7   TRP B NE1 
2002 C CE2 A TRP B 8   ? 0.33358 0.22743 0.24365 -0.02970 -0.02052 -0.01627 7   TRP B CE2 
2003 C CE2 B TRP B 8   ? 0.34760 0.24927 0.27491 -0.02793 -0.01768 -0.01967 7   TRP B CE2 
2004 C CE3 A TRP B 8   ? 0.31962 0.19255 0.20387 -0.02820 -0.00508 -0.01454 7   TRP B CE3 
2005 C CE3 B TRP B 8   ? 0.27398 0.17664 0.22168 -0.01082 0.01407  -0.01812 7   TRP B CE3 
2006 C CZ2 A TRP B 8   ? 0.36611 0.27045 0.26810 -0.03391 -0.03740 -0.00566 7   TRP B CZ2 
2007 C CZ2 B TRP B 8   ? 0.34176 0.25724 0.27972 -0.03537 -0.02819 -0.02042 7   TRP B CZ2 
2008 C CZ3 A TRP B 8   ? 0.39608 0.26569 0.26768 -0.03030 -0.01920 -0.00511 7   TRP B CZ3 
2009 C CZ3 B TRP B 8   ? 0.34004 0.24050 0.29274 -0.01950 0.00606  -0.02346 7   TRP B CZ3 
2010 C CH2 A TRP B 8   ? 0.37570 0.26776 0.25845 -0.03153 -0.03605 0.00226  7   TRP B CH2 
2011 C CH2 B TRP B 8   ? 0.39847 0.30923 0.34728 -0.03394 -0.01604 -0.02584 7   TRP B CH2 
2012 N N   . LEU B 9   ? 0.26016 0.26052 0.24933 -0.00934 0.01225  -0.00656 8   LEU B N   
2013 C CA  . LEU B 9   ? 0.29728 0.33304 0.30803 -0.00429 0.01354  0.00050  8   LEU B CA  
2014 C C   . LEU B 9   ? 0.21386 0.26322 0.22699 -0.02221 0.00816  -0.01084 8   LEU B C   
2015 O O   . LEU B 9   ? 0.23131 0.29604 0.25734 -0.02077 0.00716  -0.00968 8   LEU B O   
2016 C CB  . LEU B 9   ? 0.30993 0.31614 0.32489 0.00774  0.01528  0.00164  8   LEU B CB  
2017 C CG  . LEU B 9   ? 0.38409 0.37650 0.39580 0.02584  0.03834  0.01588  8   LEU B CG  
2018 C CD1 . LEU B 9   ? 0.41221 0.36321 0.41768 0.02600  0.04646  0.00993  8   LEU B CD1 
2019 C CD2 . LEU B 9   ? 0.39221 0.44499 0.42648 0.04426  0.05290  0.04350  8   LEU B CD2 
2020 N N   . GLY B 10  ? 0.21266 0.24745 0.20854 -0.04050 0.01150  -0.02264 9   GLY B N   
2021 C CA  . GLY B 10  ? 0.25609 0.28656 0.24392 -0.06183 0.02018  -0.03680 9   GLY B CA  
2022 C C   . GLY B 10  ? 0.26188 0.25577 0.26102 -0.04774 0.01968  -0.03833 9   GLY B C   
2023 O O   . GLY B 10  ? 0.26611 0.23491 0.27362 -0.02834 0.01072  -0.03039 9   GLY B O   
2024 N N   . SER B 11  ? 0.24840 0.24776 0.24661 -0.06140 0.03046  -0.04758 10  SER B N   
2025 C CA  . SER B 11  ? 0.33086 0.30227 0.34478 -0.04675 0.03515  -0.04649 10  SER B CA  
2026 C C   . SER B 11  ? 0.35946 0.35716 0.39977 -0.02793 0.01648  -0.03444 10  SER B C   
2027 O O   . SER B 11  ? 0.29731 0.32905 0.34336 -0.03197 0.01515  -0.03269 10  SER B O   
2028 C CB  . SER B 11  ? 0.33132 0.29499 0.32960 -0.07059 0.05862  -0.06270 10  SER B CB  
2029 O OG  . SER B 11  ? 0.42875 0.34514 0.39383 -0.09235 0.08782  -0.07796 10  SER B OG  
2030 N N   . HIS B 12  ? 0.21628 0.20025 0.26845 -0.01121 0.00472  -0.02521 11  HIS B N   
2031 C CA  . HIS B 12  ? 0.21581 0.21315 0.27953 -0.00420 -0.00632 -0.01944 11  HIS B CA  
2032 C C   . HIS B 12  ? 0.22971 0.22913 0.31593 0.00134  -0.01070 -0.01551 11  HIS B C   
2033 O O   . HIS B 12  ? 0.23000 0.22688 0.32519 0.00780  -0.01406 -0.00728 11  HIS B O   
2034 C CB  . HIS B 12  ? 0.21570 0.20105 0.26388 -0.00349 -0.01351 -0.01671 11  HIS B CB  
2035 C CG  . HIS B 12  ? 0.19001 0.17003 0.23555 -0.00351 -0.01113 -0.01595 11  HIS B CG  
2036 N ND1 . HIS B 12  ? 0.18815 0.17508 0.23528 0.00432  0.00337  -0.00985 11  HIS B ND1 
2037 C CD2 . HIS B 12  ? 0.20876 0.17561 0.24570 -0.01368 -0.01563 -0.01951 11  HIS B CD2 
2038 C CE1 . HIS B 12  ? 0.22654 0.18668 0.26408 0.00294  0.01459  -0.01082 11  HIS B CE1 
2039 N NE2 . HIS B 12  ? 0.22573 0.17262 0.25307 -0.01409 0.00264  -0.02113 11  HIS B NE2 
2040 N N   . ARG B 13  ? 0.19916 0.21019 0.29688 0.00060  -0.00878 -0.01632 12  ARG B N   
2041 C CA  . ARG B 13  ? 0.20855 0.23072 0.32934 0.00104  -0.01303 -0.01267 12  ARG B CA  
2042 C C   . ARG B 13  ? 0.17511 0.19835 0.28640 -0.01108 -0.02380 -0.01307 12  ARG B C   
2043 O O   . ARG B 13  ? 0.20214 0.20755 0.29713 -0.01892 -0.01513 -0.01934 12  ARG B O   
2044 C CB  . ARG B 13  ? 0.18557 0.21488 0.31727 0.00072  -0.00278 -0.01526 12  ARG B CB  
2045 C CG  . ARG B 13  ? 0.21178 0.25805 0.37158 -0.00019 -0.00429 -0.01138 12  ARG B CG  
2046 C CD  . ARG B 13  ? 0.20028 0.24647 0.36309 -0.00446 0.00590  -0.01467 12  ARG B CD  
2047 N NE  . ARG B 13  ? 0.20662 0.23647 0.35217 -0.01503 0.00814  -0.01758 12  ARG B NE  
2048 C CZ  . ARG B 13  ? 0.27380 0.28309 0.40081 -0.00900 0.02370  -0.01432 12  ARG B CZ  
2049 N NH1 . ARG B 13  ? 0.25046 0.27460 0.37703 0.00383  0.02990  -0.00574 12  ARG B NH1 
2050 N NH2 . ARG B 13  ? 0.26610 0.24169 0.37161 -0.01744 0.03754  -0.01714 12  ARG B NH2 
2051 N N   . GLN B 14  ? 0.19040 0.23408 0.30718 -0.01473 -0.03787 -0.00449 13  GLN B N   
2052 C CA  . GLN B 14  ? 0.23360 0.28172 0.32627 -0.03831 -0.04835 -0.00877 13  GLN B CA  
2053 C C   . GLN B 14  ? 0.23622 0.32075 0.34172 -0.06160 -0.05498 -0.00932 13  GLN B C   
2054 O O   . GLN B 14  ? 0.26246 0.39893 0.37295 -0.07901 -0.07312 0.00138  13  GLN B O   
2055 C CB  . GLN B 14  ? 0.28895 0.35204 0.37243 -0.03566 -0.06217 0.00377  13  GLN B CB  
2056 C CG  . GLN B 14  ? 0.33263 0.38563 0.37333 -0.06484 -0.06770 -0.00698 13  GLN B CG  
2057 C CD  . GLN B 14  ? 0.39143 0.44689 0.41500 -0.05883 -0.07706 0.00437  13  GLN B CD  
2058 O OE1 . GLN B 14  ? 0.41161 0.42458 0.40288 -0.06099 -0.06730 -0.00699 13  GLN B OE1 
2059 N NE2 . GLN B 14  ? 0.39305 0.50076 0.44005 -0.04796 -0.09245 0.03166  13  GLN B NE2 
2060 N N   . CYS B 15  ? 0.23877 0.30363 0.34858 -0.06454 -0.03935 -0.01955 14  CYS B N   
2061 C CA  . CYS B 15  ? 0.25749 0.34961 0.37760 -0.09068 -0.03929 -0.02402 14  CYS B CA  
2062 C C   . CYS B 15  ? 0.31829 0.36423 0.43073 -0.08909 -0.01310 -0.03548 14  CYS B C   
2063 O O   . CYS B 15  ? 0.26089 0.27888 0.37422 -0.06143 -0.00115 -0.03166 14  CYS B O   
2064 C CB  . CYS B 15  ? 0.28844 0.44949 0.46056 -0.07754 -0.05315 -0.00226 14  CYS B CB  
2065 S SG  . CYS B 15  ? 0.26888 0.40608 0.47023 -0.03401 -0.03656 0.00552  14  CYS B SG  
# 
