data_8R2F
# 
_entry.id   8R2F 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.398 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   8R2F         pdb_00008r2f 10.2210/pdb8r2f/pdb 
WWPDB D_1292134478 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2024-11-13 
# 
_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                        8R2F 
_pdbx_database_status.recvd_initial_deposition_date   2023-11-04 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              andrea.angeli@unifi.it 
_pdbx_contact_author.name_first         Andrea 
_pdbx_contact_author.name_last          Angeli 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-1470-7192 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Angeli, A.'    1 0000-0002-1470-7192 
'Ferraroni, M.' 2 0000-0001-7258-738X 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
;human carbonic anhydrase II in complex with 4-(((dimethoxyphosphoryl)(4-((dimethoxyphosphoryl)((4-sulfamoylphenyl)amino)methyl)phenyl)methyl)amino)phenyl sulfuramidite
;
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Angeli, A.'    1 0000-0002-1470-7192 
primary 'Ferraroni, M.' 2 0000-0001-7258-738X 
# 
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 'Carbonic anhydrase 2' 29289.062 1   4.2.1.1 ? ? ? 
2 non-polymer syn GLYCEROL 92.094    1   ?       ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL 62.068    1   ?       ? ? ? 
4 non-polymer syn 'ZINC ION' 65.409    1   ?       ? ? ? 
5 non-polymer syn 
;4-[[(~{S})-dimethoxyphosphoryl-[4-[(~{S})-dimethoxyphosphoryl-[(4-sulfamoylphenyl)amino]methyl]phenyl]methyl]amino]benzenesulfonamide
;
662.609   1   ?       ? ? ? 
6 water       nat water 18.015    257 ?       ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Carbonate dehydratase II,Carbonic anhydrase C,CAC,Carbonic anhydrase II,CA-II' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLK
GGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVV
DVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELM
VDNWRPAQPLKNRQIKASFK
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLK
GGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVV
DVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELM
VDNWRPAQPLKNRQIKASFK
;
_entity_poly.pdbx_strand_id                 AAA 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 GLYCEROL GOL 
3 1,2-ETHANEDIOL EDO 
4 'ZINC ION' ZN  
5 
;4-[[(~{S})-dimethoxyphosphoryl-[4-[(~{S})-dimethoxyphosphoryl-[(4-sulfamoylphenyl)amino]methyl]phenyl]methyl]amino]benzenesulfonamide
;
XNF 
6 water HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   SER n 
1 3   HIS n 
1 4   HIS n 
1 5   TRP n 
1 6   GLY n 
1 7   TYR n 
1 8   GLY n 
1 9   LYS n 
1 10  HIS n 
1 11  ASN n 
1 12  GLY n 
1 13  PRO n 
1 14  GLU n 
1 15  HIS n 
1 16  TRP n 
1 17  HIS n 
1 18  LYS n 
1 19  ASP n 
1 20  PHE n 
1 21  PRO n 
1 22  ILE n 
1 23  ALA n 
1 24  LYS n 
1 25  GLY n 
1 26  GLU n 
1 27  ARG n 
1 28  GLN n 
1 29  SER n 
1 30  PRO n 
1 31  VAL n 
1 32  ASP n 
1 33  ILE n 
1 34  ASP n 
1 35  THR n 
1 36  HIS n 
1 37  THR n 
1 38  ALA n 
1 39  LYS n 
1 40  TYR n 
1 41  ASP n 
1 42  PRO n 
1 43  SER n 
1 44  LEU n 
1 45  LYS n 
1 46  PRO n 
1 47  LEU n 
1 48  SER n 
1 49  VAL n 
1 50  SER n 
1 51  TYR n 
1 52  ASP n 
1 53  GLN n 
1 54  ALA n 
1 55  THR n 
1 56  SER n 
1 57  LEU n 
1 58  ARG n 
1 59  ILE n 
1 60  LEU n 
1 61  ASN n 
1 62  ASN n 
1 63  GLY n 
1 64  HIS n 
1 65  ALA n 
1 66  PHE n 
1 67  ASN n 
1 68  VAL n 
1 69  GLU n 
1 70  PHE n 
1 71  ASP n 
1 72  ASP n 
1 73  SER n 
1 74  GLN n 
1 75  ASP n 
1 76  LYS n 
1 77  ALA n 
1 78  VAL n 
1 79  LEU n 
1 80  LYS n 
1 81  GLY n 
1 82  GLY n 
1 83  PRO n 
1 84  LEU n 
1 85  ASP n 
1 86  GLY n 
1 87  THR n 
1 88  TYR n 
1 89  ARG n 
1 90  LEU n 
1 91  ILE n 
1 92  GLN n 
1 93  PHE n 
1 94  HIS n 
1 95  PHE n 
1 96  HIS n 
1 97  TRP n 
1 98  GLY n 
1 99  SER n 
1 100 LEU n 
1 101 ASP n 
1 102 GLY n 
1 103 GLN n 
1 104 GLY n 
1 105 SER n 
1 106 GLU n 
1 107 HIS n 
1 108 THR n 
1 109 VAL n 
1 110 ASP n 
1 111 LYS n 
1 112 LYS n 
1 113 LYS n 
1 114 TYR n 
1 115 ALA n 
1 116 ALA n 
1 117 GLU n 
1 118 LEU n 
1 119 HIS n 
1 120 LEU n 
1 121 VAL n 
1 122 HIS n 
1 123 TRP n 
1 124 ASN n 
1 125 THR n 
1 126 LYS n 
1 127 TYR n 
1 128 GLY n 
1 129 ASP n 
1 130 PHE n 
1 131 GLY n 
1 132 LYS n 
1 133 ALA n 
1 134 VAL n 
1 135 GLN n 
1 136 GLN n 
1 137 PRO n 
1 138 ASP n 
1 139 GLY n 
1 140 LEU n 
1 141 ALA n 
1 142 VAL n 
1 143 LEU n 
1 144 GLY n 
1 145 ILE n 
1 146 PHE n 
1 147 LEU n 
1 148 LYS n 
1 149 VAL n 
1 150 GLY n 
1 151 SER n 
1 152 ALA n 
1 153 LYS n 
1 154 PRO n 
1 155 GLY n 
1 156 LEU n 
1 157 GLN n 
1 158 LYS n 
1 159 VAL n 
1 160 VAL n 
1 161 ASP n 
1 162 VAL n 
1 163 LEU n 
1 164 ASP n 
1 165 SER n 
1 166 ILE n 
1 167 LYS n 
1 168 THR n 
1 169 LYS n 
1 170 GLY n 
1 171 LYS n 
1 172 SER n 
1 173 ALA n 
1 174 ASP n 
1 175 PHE n 
1 176 THR n 
1 177 ASN n 
1 178 PHE n 
1 179 ASP n 
1 180 PRO n 
1 181 ARG n 
1 182 GLY n 
1 183 LEU n 
1 184 LEU n 
1 185 PRO n 
1 186 GLU n 
1 187 SER n 
1 188 LEU n 
1 189 ASP n 
1 190 TYR n 
1 191 TRP n 
1 192 THR n 
1 193 TYR n 
1 194 PRO n 
1 195 GLY n 
1 196 SER n 
1 197 LEU n 
1 198 THR n 
1 199 THR n 
1 200 PRO n 
1 201 PRO n 
1 202 LEU n 
1 203 LEU n 
1 204 GLU n 
1 205 CYS n 
1 206 VAL n 
1 207 THR n 
1 208 TRP n 
1 209 ILE n 
1 210 VAL n 
1 211 LEU n 
1 212 LYS n 
1 213 GLU n 
1 214 PRO n 
1 215 ILE n 
1 216 SER n 
1 217 VAL n 
1 218 SER n 
1 219 SER n 
1 220 GLU n 
1 221 GLN n 
1 222 VAL n 
1 223 LEU n 
1 224 LYS n 
1 225 PHE n 
1 226 ARG n 
1 227 LYS n 
1 228 LEU n 
1 229 ASN n 
1 230 PHE n 
1 231 ASN n 
1 232 GLY n 
1 233 GLU n 
1 234 GLY n 
1 235 GLU n 
1 236 PRO n 
1 237 GLU n 
1 238 GLU n 
1 239 LEU n 
1 240 MET n 
1 241 VAL n 
1 242 ASP n 
1 243 ASN n 
1 244 TRP n 
1 245 ARG n 
1 246 PRO n 
1 247 ALA n 
1 248 GLN n 
1 249 PRO n 
1 250 LEU n 
1 251 LYS n 
1 252 ASN n 
1 253 ARG n 
1 254 GLN n 
1 255 ILE n 
1 256 LYS n 
1 257 ALA n 
1 258 SER n 
1 259 PHE n 
1 260 LYS 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                   260 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 CA2 
_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                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE ?                               'C3 H7 N O2'           89.093  
ARG 'L-peptide linking' y ARGININE ?                               'C6 H15 N4 O2 1'       175.209 
ASN 'L-peptide linking' y ASPARAGINE ?                               'C4 H8 N2 O3'          132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ?                               'C4 H7 N O4'           133.103 
CYS 'L-peptide linking' y CYSTEINE ?                               'C3 H7 N O2 S'         121.158 
EDO non-polymer         . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL'               'C2 H6 O2'             62.068  
GLN 'L-peptide linking' y GLUTAMINE ?                               'C5 H10 N2 O3'         146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ?                               'C5 H9 N O4'           147.129 
GLY 'peptide linking'   y GLYCINE ?                               'C2 H5 N O2'           75.067  
GOL non-polymer         . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'             92.094  
HIS 'L-peptide linking' y HISTIDINE ?                               'C6 H10 N3 O2 1'       156.162 
HOH non-polymer         . WATER ?                               'H2 O'                 18.015  
ILE 'L-peptide linking' y ISOLEUCINE ?                               'C6 H13 N O2'          131.173 
LEU 'L-peptide linking' y LEUCINE ?                               'C6 H13 N O2'          131.173 
LYS 'L-peptide linking' y LYSINE ?                               'C6 H15 N2 O2 1'       147.195 
MET 'L-peptide linking' y METHIONINE ?                               'C5 H11 N O2 S'        149.211 
PHE 'L-peptide linking' y PHENYLALANINE ?                               'C9 H11 N O2'          165.189 
PRO 'L-peptide linking' y PROLINE ?                               'C5 H9 N O2'           115.130 
SER 'L-peptide linking' y SERINE ?                               'C3 H7 N O3'           105.093 
THR 'L-peptide linking' y THREONINE ?                               'C4 H9 N O3'           119.119 
TRP 'L-peptide linking' y TRYPTOPHAN ?                               'C11 H12 N2 O2'        204.225 
TYR 'L-peptide linking' y TYROSINE ?                               'C9 H11 N O3'          181.189 
VAL 'L-peptide linking' y VALINE ?                               'C5 H11 N O2'          117.146 
XNF non-polymer         . 
;4-[[(~{S})-dimethoxyphosphoryl-[4-[(~{S})-dimethoxyphosphoryl-[(4-sulfamoylphenyl)amino]methyl]phenyl]methyl]amino]benzenesulfonamide
;
?                               'C24 H32 N4 O10 P2 S2' 662.609 
ZN  non-polymer         . 'ZINC ION' ?                               'Zn 2'                 65.409  
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   1   ?   ?   ?   AAA . n 
A 1 2   SER 2   2   ?   ?   ?   AAA . n 
A 1 3   HIS 3   3   3   HIS HIS AAA . n 
A 1 4   HIS 4   4   4   HIS HIS AAA . n 
A 1 5   TRP 5   5   5   TRP TRP AAA . n 
A 1 6   GLY 6   6   6   GLY GLY AAA . n 
A 1 7   TYR 7   7   7   TYR TYR AAA . n 
A 1 8   GLY 8   8   8   GLY GLY AAA . n 
A 1 9   LYS 9   9   9   LYS LYS AAA . n 
A 1 10  HIS 10  10  10  HIS HIS AAA . n 
A 1 11  ASN 11  11  11  ASN ASN AAA . n 
A 1 12  GLY 12  12  12  GLY GLY AAA . n 
A 1 13  PRO 13  13  13  PRO PRO AAA . n 
A 1 14  GLU 14  14  14  GLU GLU AAA . n 
A 1 15  HIS 15  15  15  HIS HIS AAA . n 
A 1 16  TRP 16  16  16  TRP TRP AAA . n 
A 1 17  HIS 17  17  17  HIS HIS AAA . n 
A 1 18  LYS 18  18  18  LYS LYS AAA . n 
A 1 19  ASP 19  19  19  ASP ASP AAA . n 
A 1 20  PHE 20  20  20  PHE PHE AAA . n 
A 1 21  PRO 21  21  21  PRO PRO AAA . n 
A 1 22  ILE 22  22  22  ILE ILE AAA . n 
A 1 23  ALA 23  23  23  ALA ALA AAA . n 
A 1 24  LYS 24  24  24  LYS LYS AAA . n 
A 1 25  GLY 25  25  25  GLY GLY AAA . n 
A 1 26  GLU 26  26  26  GLU GLU AAA . n 
A 1 27  ARG 27  27  27  ARG ARG AAA . n 
A 1 28  GLN 28  28  28  GLN GLN AAA . n 
A 1 29  SER 29  29  29  SER SER AAA . n 
A 1 30  PRO 30  30  30  PRO PRO AAA . n 
A 1 31  VAL 31  31  31  VAL VAL AAA . n 
A 1 32  ASP 32  32  32  ASP ASP AAA . n 
A 1 33  ILE 33  33  33  ILE ILE AAA . n 
A 1 34  ASP 34  34  34  ASP ASP AAA . n 
A 1 35  THR 35  35  35  THR THR AAA . n 
A 1 36  HIS 36  36  36  HIS HIS AAA . n 
A 1 37  THR 37  37  37  THR THR AAA . n 
A 1 38  ALA 38  38  38  ALA ALA AAA . n 
A 1 39  LYS 39  39  39  LYS LYS AAA . n 
A 1 40  TYR 40  40  40  TYR TYR AAA . n 
A 1 41  ASP 41  41  41  ASP ASP AAA . n 
A 1 42  PRO 42  42  42  PRO PRO AAA . n 
A 1 43  SER 43  43  43  SER SER AAA . n 
A 1 44  LEU 44  44  44  LEU LEU AAA . n 
A 1 45  LYS 45  45  45  LYS LYS AAA . n 
A 1 46  PRO 46  46  46  PRO PRO AAA . n 
A 1 47  LEU 47  47  47  LEU LEU AAA . n 
A 1 48  SER 48  48  48  SER SER AAA . n 
A 1 49  VAL 49  49  49  VAL VAL AAA . n 
A 1 50  SER 50  50  50  SER SER AAA . n 
A 1 51  TYR 51  51  51  TYR TYR AAA . n 
A 1 52  ASP 52  52  52  ASP ASP AAA . n 
A 1 53  GLN 53  53  53  GLN GLN AAA . n 
A 1 54  ALA 54  54  54  ALA ALA AAA . n 
A 1 55  THR 55  55  55  THR THR AAA . n 
A 1 56  SER 56  56  56  SER SER AAA . n 
A 1 57  LEU 57  57  57  LEU LEU AAA . n 
A 1 58  ARG 58  58  58  ARG ARG AAA . n 
A 1 59  ILE 59  59  59  ILE ILE AAA . n 
A 1 60  LEU 60  60  60  LEU LEU AAA . n 
A 1 61  ASN 61  61  61  ASN ASN AAA . n 
A 1 62  ASN 62  62  62  ASN ASN AAA . n 
A 1 63  GLY 63  63  63  GLY GLY AAA . n 
A 1 64  HIS 64  64  64  HIS HIS AAA . n 
A 1 65  ALA 65  65  65  ALA ALA AAA . n 
A 1 66  PHE 66  66  66  PHE PHE AAA . n 
A 1 67  ASN 67  67  67  ASN ASN AAA . n 
A 1 68  VAL 68  68  68  VAL VAL AAA . n 
A 1 69  GLU 69  69  69  GLU GLU AAA . n 
A 1 70  PHE 70  70  70  PHE PHE AAA . n 
A 1 71  ASP 71  71  71  ASP ASP AAA . n 
A 1 72  ASP 72  72  72  ASP ASP AAA . n 
A 1 73  SER 73  73  73  SER SER AAA . n 
A 1 74  GLN 74  74  74  GLN GLN AAA . n 
A 1 75  ASP 75  75  75  ASP ASP AAA . n 
A 1 76  LYS 76  76  76  LYS LYS AAA . n 
A 1 77  ALA 77  77  77  ALA ALA AAA . n 
A 1 78  VAL 78  78  78  VAL VAL AAA . n 
A 1 79  LEU 79  79  79  LEU LEU AAA . n 
A 1 80  LYS 80  80  80  LYS LYS AAA . n 
A 1 81  GLY 81  81  81  GLY GLY AAA . n 
A 1 82  GLY 82  82  82  GLY GLY AAA . n 
A 1 83  PRO 83  83  83  PRO PRO AAA . n 
A 1 84  LEU 84  84  84  LEU LEU AAA . n 
A 1 85  ASP 85  85  85  ASP ASP AAA . n 
A 1 86  GLY 86  86  86  GLY GLY AAA . n 
A 1 87  THR 87  87  87  THR THR AAA . n 
A 1 88  TYR 88  88  88  TYR TYR AAA . n 
A 1 89  ARG 89  89  89  ARG ARG AAA . n 
A 1 90  LEU 90  90  90  LEU LEU AAA . n 
A 1 91  ILE 91  91  91  ILE ILE AAA . n 
A 1 92  GLN 92  92  92  GLN GLN AAA . n 
A 1 93  PHE 93  93  93  PHE PHE AAA . n 
A 1 94  HIS 94  94  94  HIS HIS AAA . n 
A 1 95  PHE 95  95  95  PHE PHE AAA . n 
A 1 96  HIS 96  96  96  HIS HIS AAA . n 
A 1 97  TRP 97  97  97  TRP TRP AAA . n 
A 1 98  GLY 98  98  98  GLY GLY AAA . n 
A 1 99  SER 99  99  99  SER SER AAA . n 
A 1 100 LEU 100 100 100 LEU LEU AAA . n 
A 1 101 ASP 101 101 101 ASP ASP AAA . n 
A 1 102 GLY 102 102 102 GLY GLY AAA . n 
A 1 103 GLN 103 103 103 GLN GLN AAA . n 
A 1 104 GLY 104 104 104 GLY GLY AAA . n 
A 1 105 SER 105 105 105 SER SER AAA . n 
A 1 106 GLU 106 106 106 GLU GLU AAA . n 
A 1 107 HIS 107 107 107 HIS HIS AAA . n 
A 1 108 THR 108 108 108 THR THR AAA . n 
A 1 109 VAL 109 109 109 VAL VAL AAA . n 
A 1 110 ASP 110 110 110 ASP ASP AAA . n 
A 1 111 LYS 111 111 111 LYS LYS AAA . n 
A 1 112 LYS 112 112 112 LYS LYS AAA . n 
A 1 113 LYS 113 113 113 LYS LYS AAA . n 
A 1 114 TYR 114 114 114 TYR TYR AAA . n 
A 1 115 ALA 115 115 115 ALA ALA AAA . n 
A 1 116 ALA 116 116 116 ALA ALA AAA . n 
A 1 117 GLU 117 117 117 GLU GLU AAA . n 
A 1 118 LEU 118 118 118 LEU LEU AAA . n 
A 1 119 HIS 119 119 119 HIS HIS AAA . n 
A 1 120 LEU 120 120 120 LEU LEU AAA . n 
A 1 121 VAL 121 121 121 VAL VAL AAA . n 
A 1 122 HIS 122 122 122 HIS HIS AAA . n 
A 1 123 TRP 123 123 123 TRP TRP AAA . n 
A 1 124 ASN 124 124 124 ASN ASN AAA . n 
A 1 125 THR 125 125 125 THR THR AAA . n 
A 1 126 LYS 126 127 127 LYS LYS AAA . n 
A 1 127 TYR 127 128 128 TYR TYR AAA . n 
A 1 128 GLY 128 129 129 GLY GLY AAA . n 
A 1 129 ASP 129 130 130 ASP ASP AAA . n 
A 1 130 PHE 130 131 131 PHE PHE AAA . n 
A 1 131 GLY 131 132 132 GLY GLY AAA . n 
A 1 132 LYS 132 133 133 LYS LYS AAA . n 
A 1 133 ALA 133 134 134 ALA ALA AAA . n 
A 1 134 VAL 134 135 135 VAL VAL AAA . n 
A 1 135 GLN 135 136 136 GLN GLN AAA . n 
A 1 136 GLN 136 137 137 GLN GLN AAA . n 
A 1 137 PRO 137 138 138 PRO PRO AAA . n 
A 1 138 ASP 138 139 139 ASP ASP AAA . n 
A 1 139 GLY 139 140 140 GLY GLY AAA . n 
A 1 140 LEU 140 141 141 LEU LEU AAA . n 
A 1 141 ALA 141 142 142 ALA ALA AAA . n 
A 1 142 VAL 142 143 143 VAL VAL AAA . n 
A 1 143 LEU 143 144 144 LEU LEU AAA . n 
A 1 144 GLY 144 145 145 GLY GLY AAA . n 
A 1 145 ILE 145 146 146 ILE ILE AAA . n 
A 1 146 PHE 146 147 147 PHE PHE AAA . n 
A 1 147 LEU 147 148 148 LEU LEU AAA . n 
A 1 148 LYS 148 149 149 LYS LYS AAA . n 
A 1 149 VAL 149 150 150 VAL VAL AAA . n 
A 1 150 GLY 150 151 151 GLY GLY AAA . n 
A 1 151 SER 151 152 152 SER SER AAA . n 
A 1 152 ALA 152 153 153 ALA ALA AAA . n 
A 1 153 LYS 153 154 154 LYS LYS AAA . n 
A 1 154 PRO 154 155 155 PRO PRO AAA . n 
A 1 155 GLY 155 156 156 GLY GLY AAA . n 
A 1 156 LEU 156 157 157 LEU LEU AAA . n 
A 1 157 GLN 157 158 158 GLN GLN AAA . n 
A 1 158 LYS 158 159 159 LYS LYS AAA . n 
A 1 159 VAL 159 160 160 VAL VAL AAA . n 
A 1 160 VAL 160 161 161 VAL VAL AAA . n 
A 1 161 ASP 161 162 162 ASP ASP AAA . n 
A 1 162 VAL 162 163 163 VAL VAL AAA . n 
A 1 163 LEU 163 164 164 LEU LEU AAA . n 
A 1 164 ASP 164 165 165 ASP ASP AAA . n 
A 1 165 SER 165 166 166 SER SER AAA . n 
A 1 166 ILE 166 167 167 ILE ILE AAA . n 
A 1 167 LYS 167 168 168 LYS LYS AAA . n 
A 1 168 THR 168 169 169 THR THR AAA . n 
A 1 169 LYS 169 170 170 LYS LYS AAA . n 
A 1 170 GLY 170 171 171 GLY GLY AAA . n 
A 1 171 LYS 171 172 172 LYS LYS AAA . n 
A 1 172 SER 172 173 173 SER SER AAA . n 
A 1 173 ALA 173 174 174 ALA ALA AAA . n 
A 1 174 ASP 174 175 175 ASP ASP AAA . n 
A 1 175 PHE 175 176 176 PHE PHE AAA . n 
A 1 176 THR 176 177 177 THR THR AAA . n 
A 1 177 ASN 177 178 178 ASN ASN AAA . n 
A 1 178 PHE 178 179 179 PHE PHE AAA . n 
A 1 179 ASP 179 180 180 ASP ASP AAA . n 
A 1 180 PRO 180 181 181 PRO PRO AAA . n 
A 1 181 ARG 181 182 182 ARG ARG AAA . n 
A 1 182 GLY 182 183 183 GLY GLY AAA . n 
A 1 183 LEU 183 184 184 LEU LEU AAA . n 
A 1 184 LEU 184 185 185 LEU LEU AAA . n 
A 1 185 PRO 185 186 186 PRO PRO AAA . n 
A 1 186 GLU 186 187 187 GLU GLU AAA . n 
A 1 187 SER 187 188 188 SER SER AAA . n 
A 1 188 LEU 188 189 189 LEU LEU AAA . n 
A 1 189 ASP 189 190 190 ASP ASP AAA . n 
A 1 190 TYR 190 191 191 TYR TYR AAA . n 
A 1 191 TRP 191 192 192 TRP TRP AAA . n 
A 1 192 THR 192 193 193 THR THR AAA . n 
A 1 193 TYR 193 194 194 TYR TYR AAA . n 
A 1 194 PRO 194 195 195 PRO PRO AAA . n 
A 1 195 GLY 195 196 196 GLY GLY AAA . n 
A 1 196 SER 196 197 197 SER SER AAA . n 
A 1 197 LEU 197 198 198 LEU LEU AAA . n 
A 1 198 THR 198 199 199 THR THR AAA . n 
A 1 199 THR 199 200 200 THR THR AAA . n 
A 1 200 PRO 200 201 201 PRO PRO AAA . n 
A 1 201 PRO 201 202 202 PRO PRO AAA . n 
A 1 202 LEU 202 203 203 LEU LEU AAA . n 
A 1 203 LEU 203 204 204 LEU LEU AAA . n 
A 1 204 GLU 204 205 205 GLU GLU AAA . n 
A 1 205 CYS 205 206 206 CYS CYS AAA . n 
A 1 206 VAL 206 207 207 VAL VAL AAA . n 
A 1 207 THR 207 208 208 THR THR AAA . n 
A 1 208 TRP 208 209 209 TRP TRP AAA . n 
A 1 209 ILE 209 210 210 ILE ILE AAA . n 
A 1 210 VAL 210 211 211 VAL VAL AAA . n 
A 1 211 LEU 211 212 212 LEU LEU AAA . n 
A 1 212 LYS 212 213 213 LYS LYS AAA . n 
A 1 213 GLU 213 214 214 GLU GLU AAA . n 
A 1 214 PRO 214 215 215 PRO PRO AAA . n 
A 1 215 ILE 215 216 216 ILE ILE AAA . n 
A 1 216 SER 216 217 217 SER SER AAA . n 
A 1 217 VAL 217 218 218 VAL VAL AAA . n 
A 1 218 SER 218 219 219 SER SER AAA . n 
A 1 219 SER 219 220 220 SER SER AAA . n 
A 1 220 GLU 220 221 221 GLU GLU AAA . n 
A 1 221 GLN 221 222 222 GLN GLN AAA . n 
A 1 222 VAL 222 223 223 VAL VAL AAA . n 
A 1 223 LEU 223 224 224 LEU LEU AAA . n 
A 1 224 LYS 224 225 225 LYS LYS AAA . n 
A 1 225 PHE 225 226 226 PHE PHE AAA . n 
A 1 226 ARG 226 227 227 ARG ARG AAA . n 
A 1 227 LYS 227 228 228 LYS LYS AAA . n 
A 1 228 LEU 228 229 229 LEU LEU AAA . n 
A 1 229 ASN 229 230 230 ASN ASN AAA . n 
A 1 230 PHE 230 231 231 PHE PHE AAA . n 
A 1 231 ASN 231 232 232 ASN ASN AAA . n 
A 1 232 GLY 232 233 233 GLY GLY AAA . n 
A 1 233 GLU 233 234 234 GLU GLU AAA . n 
A 1 234 GLY 234 235 235 GLY GLY AAA . n 
A 1 235 GLU 235 236 236 GLU GLU AAA . n 
A 1 236 PRO 236 237 237 PRO PRO AAA . n 
A 1 237 GLU 237 238 238 GLU GLU AAA . n 
A 1 238 GLU 238 239 239 GLU GLU AAA . n 
A 1 239 LEU 239 240 240 LEU LEU AAA . n 
A 1 240 MET 240 241 241 MET MET AAA . n 
A 1 241 VAL 241 242 242 VAL VAL AAA . n 
A 1 242 ASP 242 243 243 ASP ASP AAA . n 
A 1 243 ASN 243 244 244 ASN ASN AAA . n 
A 1 244 TRP 244 245 245 TRP TRP AAA . n 
A 1 245 ARG 245 246 246 ARG ARG AAA . n 
A 1 246 PRO 246 247 247 PRO PRO AAA . n 
A 1 247 ALA 247 248 248 ALA ALA AAA . n 
A 1 248 GLN 248 249 249 GLN GLN AAA . n 
A 1 249 PRO 249 250 250 PRO PRO AAA . n 
A 1 250 LEU 250 251 251 LEU LEU AAA . n 
A 1 251 LYS 251 252 252 LYS LYS AAA . n 
A 1 252 ASN 252 253 253 ASN ASN AAA . n 
A 1 253 ARG 253 254 254 ARG ARG AAA . n 
A 1 254 GLN 254 255 255 GLN GLN AAA . n 
A 1 255 ILE 255 256 256 ILE ILE AAA . n 
A 1 256 LYS 256 257 257 LYS LYS AAA . n 
A 1 257 ALA 257 258 258 ALA ALA AAA . n 
A 1 258 SER 258 259 259 SER SER AAA . n 
A 1 259 PHE 259 260 260 PHE PHE AAA . n 
A 1 260 LYS 260 261 261 LYS LYS AAA . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        XNF 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   XNF 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 GOL 1   301 301 GOL GOL AAA . 
C 3 EDO 1   302 302 EDO EDO AAA . 
D 4 ZN  1   303 1   ZN  ZN  AAA . 
E 5 XNF 1   304 303 XNF MS5 AAA . 
F 6 HOH 1   401 253 HOH HOH AAA . 
F 6 HOH 2   402 234 HOH HOH AAA . 
F 6 HOH 3   403 262 HOH HOH AAA . 
F 6 HOH 4   404 152 HOH HOH AAA . 
F 6 HOH 5   405 94  HOH HOH AAA . 
F 6 HOH 6   406 229 HOH HOH AAA . 
F 6 HOH 7   407 82  HOH HOH AAA . 
F 6 HOH 8   408 278 HOH HOH AAA . 
F 6 HOH 9   409 155 HOH HOH AAA . 
F 6 HOH 10  410 261 HOH HOH AAA . 
F 6 HOH 11  411 165 HOH HOH AAA . 
F 6 HOH 12  412 226 HOH HOH AAA . 
F 6 HOH 13  413 92  HOH HOH AAA . 
F 6 HOH 14  414 175 HOH HOH AAA . 
F 6 HOH 15  415 160 HOH HOH AAA . 
F 6 HOH 16  416 6   HOH HOH AAA . 
F 6 HOH 17  417 195 HOH HOH AAA . 
F 6 HOH 18  418 29  HOH HOH AAA . 
F 6 HOH 19  419 41  HOH HOH AAA . 
F 6 HOH 20  420 222 HOH HOH AAA . 
F 6 HOH 21  421 8   HOH HOH AAA . 
F 6 HOH 22  422 20  HOH HOH AAA . 
F 6 HOH 23  423 70  HOH HOH AAA . 
F 6 HOH 24  424 120 HOH HOH AAA . 
F 6 HOH 25  425 112 HOH HOH AAA . 
F 6 HOH 26  426 271 HOH HOH AAA . 
F 6 HOH 27  427 220 HOH HOH AAA . 
F 6 HOH 28  428 134 HOH HOH AAA . 
F 6 HOH 29  429 36  HOH HOH AAA . 
F 6 HOH 30  430 138 HOH HOH AAA . 
F 6 HOH 31  431 37  HOH HOH AAA . 
F 6 HOH 32  432 130 HOH HOH AAA . 
F 6 HOH 33  433 109 HOH HOH AAA . 
F 6 HOH 34  434 9   HOH HOH AAA . 
F 6 HOH 35  435 64  HOH HOH AAA . 
F 6 HOH 36  436 50  HOH HOH AAA . 
F 6 HOH 37  437 258 HOH HOH AAA . 
F 6 HOH 38  438 210 HOH HOH AAA . 
F 6 HOH 39  439 5   HOH HOH AAA . 
F 6 HOH 40  440 57  HOH HOH AAA . 
F 6 HOH 41  441 265 HOH HOH AAA . 
F 6 HOH 42  442 241 HOH HOH AAA . 
F 6 HOH 43  443 119 HOH HOH AAA . 
F 6 HOH 44  444 206 HOH HOH AAA . 
F 6 HOH 45  445 54  HOH HOH AAA . 
F 6 HOH 46  446 10  HOH HOH AAA . 
F 6 HOH 47  447 12  HOH HOH AAA . 
F 6 HOH 48  448 87  HOH HOH AAA . 
F 6 HOH 49  449 154 HOH HOH AAA . 
F 6 HOH 50  450 159 HOH HOH AAA . 
F 6 HOH 51  451 85  HOH HOH AAA . 
F 6 HOH 52  452 200 HOH HOH AAA . 
F 6 HOH 53  453 44  HOH HOH AAA . 
F 6 HOH 54  454 14  HOH HOH AAA . 
F 6 HOH 55  455 34  HOH HOH AAA . 
F 6 HOH 56  456 172 HOH HOH AAA . 
F 6 HOH 57  457 68  HOH HOH AAA . 
F 6 HOH 58  458 218 HOH HOH AAA . 
F 6 HOH 59  459 56  HOH HOH AAA . 
F 6 HOH 60  460 132 HOH HOH AAA . 
F 6 HOH 61  461 2   HOH HOH AAA . 
F 6 HOH 62  462 33  HOH HOH AAA . 
F 6 HOH 63  463 95  HOH HOH AAA . 
F 6 HOH 64  464 110 HOH HOH AAA . 
F 6 HOH 65  465 124 HOH HOH AAA . 
F 6 HOH 66  466 25  HOH HOH AAA . 
F 6 HOH 67  467 1   HOH HOH AAA . 
F 6 HOH 68  468 81  HOH HOH AAA . 
F 6 HOH 69  469 197 HOH HOH AAA . 
F 6 HOH 70  470 212 HOH HOH AAA . 
F 6 HOH 71  471 19  HOH HOH AAA . 
F 6 HOH 72  472 32  HOH HOH AAA . 
F 6 HOH 73  473 4   HOH HOH AAA . 
F 6 HOH 74  474 40  HOH HOH AAA . 
F 6 HOH 75  475 26  HOH HOH AAA . 
F 6 HOH 76  476 69  HOH HOH AAA . 
F 6 HOH 77  477 128 HOH HOH AAA . 
F 6 HOH 78  478 100 HOH HOH AAA . 
F 6 HOH 79  479 97  HOH HOH AAA . 
F 6 HOH 80  480 225 HOH HOH AAA . 
F 6 HOH 81  481 43  HOH HOH AAA . 
F 6 HOH 82  482 176 HOH HOH AAA . 
F 6 HOH 83  483 140 HOH HOH AAA . 
F 6 HOH 84  484 101 HOH HOH AAA . 
F 6 HOH 85  485 269 HOH HOH AAA . 
F 6 HOH 86  486 147 HOH HOH AAA . 
F 6 HOH 87  487 39  HOH HOH AAA . 
F 6 HOH 88  488 236 HOH HOH AAA . 
F 6 HOH 89  489 61  HOH HOH AAA . 
F 6 HOH 90  490 47  HOH HOH AAA . 
F 6 HOH 91  491 203 HOH HOH AAA . 
F 6 HOH 92  492 202 HOH HOH AAA . 
F 6 HOH 93  493 35  HOH HOH AAA . 
F 6 HOH 94  494 107 HOH HOH AAA . 
F 6 HOH 95  495 113 HOH HOH AAA . 
F 6 HOH 96  496 213 HOH HOH AAA . 
F 6 HOH 97  497 123 HOH HOH AAA . 
F 6 HOH 98  498 129 HOH HOH AAA . 
F 6 HOH 99  499 223 HOH HOH AAA . 
F 6 HOH 100 500 11  HOH HOH AAA . 
F 6 HOH 101 501 3   HOH HOH AAA . 
F 6 HOH 102 502 139 HOH HOH AAA . 
F 6 HOH 103 503 114 HOH HOH AAA . 
F 6 HOH 104 504 221 HOH HOH AAA . 
F 6 HOH 105 505 204 HOH HOH AAA . 
F 6 HOH 106 506 89  HOH HOH AAA . 
F 6 HOH 107 507 245 HOH HOH AAA . 
F 6 HOH 108 508 215 HOH HOH AAA . 
F 6 HOH 109 509 145 HOH HOH AAA . 
F 6 HOH 110 510 24  HOH HOH AAA . 
F 6 HOH 111 511 111 HOH HOH AAA . 
F 6 HOH 112 512 199 HOH HOH AAA . 
F 6 HOH 113 513 46  HOH HOH AAA . 
F 6 HOH 114 514 233 HOH HOH AAA . 
F 6 HOH 115 515 79  HOH HOH AAA . 
F 6 HOH 116 516 104 HOH HOH AAA . 
F 6 HOH 117 517 198 HOH HOH AAA . 
F 6 HOH 118 518 31  HOH HOH AAA . 
F 6 HOH 119 519 125 HOH HOH AAA . 
F 6 HOH 120 520 254 HOH HOH AAA . 
F 6 HOH 121 521 86  HOH HOH AAA . 
F 6 HOH 122 522 51  HOH HOH AAA . 
F 6 HOH 123 523 67  HOH HOH AAA . 
F 6 HOH 124 524 16  HOH HOH AAA . 
F 6 HOH 125 525 13  HOH HOH AAA . 
F 6 HOH 126 526 93  HOH HOH AAA . 
F 6 HOH 127 527 164 HOH HOH AAA . 
F 6 HOH 128 528 167 HOH HOH AAA . 
F 6 HOH 129 529 168 HOH HOH AAA . 
F 6 HOH 130 530 136 HOH HOH AAA . 
F 6 HOH 131 531 52  HOH HOH AAA . 
F 6 HOH 132 532 131 HOH HOH AAA . 
F 6 HOH 133 533 170 HOH HOH AAA . 
F 6 HOH 134 534 49  HOH HOH AAA . 
F 6 HOH 135 535 121 HOH HOH AAA . 
F 6 HOH 136 536 122 HOH HOH AAA . 
F 6 HOH 137 537 143 HOH HOH AAA . 
F 6 HOH 138 538 84  HOH HOH AAA . 
F 6 HOH 139 539 72  HOH HOH AAA . 
F 6 HOH 140 540 78  HOH HOH AAA . 
F 6 HOH 141 541 232 HOH HOH AAA . 
F 6 HOH 142 542 66  HOH HOH AAA . 
F 6 HOH 143 543 272 HOH HOH AAA . 
F 6 HOH 144 544 230 HOH HOH AAA . 
F 6 HOH 145 545 76  HOH HOH AAA . 
F 6 HOH 146 546 174 HOH HOH AAA . 
F 6 HOH 147 547 279 HOH HOH AAA . 
F 6 HOH 148 548 18  HOH HOH AAA . 
F 6 HOH 149 549 169 HOH HOH AAA . 
F 6 HOH 150 550 117 HOH HOH AAA . 
F 6 HOH 151 551 88  HOH HOH AAA . 
F 6 HOH 152 552 77  HOH HOH AAA . 
F 6 HOH 153 553 208 HOH HOH AAA . 
F 6 HOH 154 554 205 HOH HOH AAA . 
F 6 HOH 155 555 22  HOH HOH AAA . 
F 6 HOH 156 556 65  HOH HOH AAA . 
F 6 HOH 157 557 15  HOH HOH AAA . 
F 6 HOH 158 558 151 HOH HOH AAA . 
F 6 HOH 159 559 211 HOH HOH AAA . 
F 6 HOH 160 560 48  HOH HOH AAA . 
F 6 HOH 161 561 23  HOH HOH AAA . 
F 6 HOH 162 562 102 HOH HOH AAA . 
F 6 HOH 163 563 157 HOH HOH AAA . 
F 6 HOH 164 564 201 HOH HOH AAA . 
F 6 HOH 165 565 55  HOH HOH AAA . 
F 6 HOH 166 566 149 HOH HOH AAA . 
F 6 HOH 167 567 214 HOH HOH AAA . 
F 6 HOH 168 568 163 HOH HOH AAA . 
F 6 HOH 169 569 116 HOH HOH AAA . 
F 6 HOH 170 570 58  HOH HOH AAA . 
F 6 HOH 171 571 177 HOH HOH AAA . 
F 6 HOH 172 572 105 HOH HOH AAA . 
F 6 HOH 173 573 7   HOH HOH AAA . 
F 6 HOH 174 574 28  HOH HOH AAA . 
F 6 HOH 175 575 209 HOH HOH AAA . 
F 6 HOH 176 576 21  HOH HOH AAA . 
F 6 HOH 177 577 42  HOH HOH AAA . 
F 6 HOH 178 578 99  HOH HOH AAA . 
F 6 HOH 179 579 90  HOH HOH AAA . 
F 6 HOH 180 580 98  HOH HOH AAA . 
F 6 HOH 181 581 150 HOH HOH AAA . 
F 6 HOH 182 582 239 HOH HOH AAA . 
F 6 HOH 183 583 148 HOH HOH AAA . 
F 6 HOH 184 584 171 HOH HOH AAA . 
F 6 HOH 185 585 196 HOH HOH AAA . 
F 6 HOH 186 586 240 HOH HOH AAA . 
F 6 HOH 187 587 53  HOH HOH AAA . 
F 6 HOH 188 588 273 HOH HOH AAA . 
F 6 HOH 189 589 158 HOH HOH AAA . 
F 6 HOH 190 590 227 HOH HOH AAA . 
F 6 HOH 191 591 71  HOH HOH AAA . 
F 6 HOH 192 592 17  HOH HOH AAA . 
F 6 HOH 193 593 63  HOH HOH AAA . 
F 6 HOH 194 594 38  HOH HOH AAA . 
F 6 HOH 195 595 91  HOH HOH AAA . 
F 6 HOH 196 596 191 HOH HOH AAA . 
F 6 HOH 197 597 60  HOH HOH AAA . 
F 6 HOH 198 598 135 HOH HOH AAA . 
F 6 HOH 199 599 108 HOH HOH AAA . 
F 6 HOH 200 600 141 HOH HOH AAA . 
F 6 HOH 201 601 106 HOH HOH AAA . 
F 6 HOH 202 602 187 HOH HOH AAA . 
F 6 HOH 203 603 237 HOH HOH AAA . 
F 6 HOH 204 604 235 HOH HOH AAA . 
F 6 HOH 205 605 27  HOH HOH AAA . 
F 6 HOH 206 606 178 HOH HOH AAA . 
F 6 HOH 207 607 248 HOH HOH AAA . 
F 6 HOH 208 608 224 HOH HOH AAA . 
F 6 HOH 209 609 194 HOH HOH AAA . 
F 6 HOH 210 610 103 HOH HOH AAA . 
F 6 HOH 211 611 144 HOH HOH AAA . 
F 6 HOH 212 612 73  HOH HOH AAA . 
F 6 HOH 213 613 281 HOH HOH AAA . 
F 6 HOH 214 614 173 HOH HOH AAA . 
F 6 HOH 215 615 80  HOH HOH AAA . 
F 6 HOH 216 616 244 HOH HOH AAA . 
F 6 HOH 217 617 243 HOH HOH AAA . 
F 6 HOH 218 618 274 HOH HOH AAA . 
F 6 HOH 219 619 275 HOH HOH AAA . 
F 6 HOH 220 620 118 HOH HOH AAA . 
F 6 HOH 221 621 30  HOH HOH AAA . 
F 6 HOH 222 622 45  HOH HOH AAA . 
F 6 HOH 223 623 238 HOH HOH AAA . 
F 6 HOH 224 624 74  HOH HOH AAA . 
F 6 HOH 225 625 186 HOH HOH AAA . 
F 6 HOH 226 626 179 HOH HOH AAA . 
F 6 HOH 227 627 216 HOH HOH AAA . 
F 6 HOH 228 628 270 HOH HOH AAA . 
F 6 HOH 229 629 219 HOH HOH AAA . 
F 6 HOH 230 630 251 HOH HOH AAA . 
F 6 HOH 231 631 217 HOH HOH AAA . 
F 6 HOH 232 632 256 HOH HOH AAA . 
F 6 HOH 233 633 83  HOH HOH AAA . 
F 6 HOH 234 634 153 HOH HOH AAA . 
F 6 HOH 235 635 207 HOH HOH AAA . 
F 6 HOH 236 636 264 HOH HOH AAA . 
F 6 HOH 237 637 268 HOH HOH AAA . 
F 6 HOH 238 638 62  HOH HOH AAA . 
F 6 HOH 239 639 184 HOH HOH AAA . 
F 6 HOH 240 640 280 HOH HOH AAA . 
F 6 HOH 241 641 59  HOH HOH AAA . 
F 6 HOH 242 642 142 HOH HOH AAA . 
F 6 HOH 243 643 137 HOH HOH AAA . 
F 6 HOH 244 644 181 HOH HOH AAA . 
F 6 HOH 245 645 242 HOH HOH AAA . 
F 6 HOH 246 646 180 HOH HOH AAA . 
F 6 HOH 247 647 182 HOH HOH AAA . 
F 6 HOH 248 648 96  HOH HOH AAA . 
F 6 HOH 249 649 247 HOH HOH AAA . 
F 6 HOH 250 650 190 HOH HOH AAA . 
F 6 HOH 251 651 183 HOH HOH AAA . 
F 6 HOH 252 652 156 HOH HOH AAA . 
F 6 HOH 253 653 193 HOH HOH AAA . 
F 6 HOH 254 654 127 HOH HOH AAA . 
F 6 HOH 255 655 188 HOH HOH AAA . 
F 6 HOH 256 656 252 HOH HOH AAA . 
F 6 HOH 257 657 192 HOH HOH AAA . 
# 
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 1 AAA LYS 9   ? CD ? A LYS 9   CD 
2 1 Y 1 AAA LYS 9   ? CE ? A LYS 9   CE 
3 1 Y 1 AAA LYS 9   ? NZ ? A LYS 9   NZ 
4 1 Y 1 AAA LYS 261 ? CD ? A LYS 260 CD 
5 1 Y 1 AAA LYS 261 ? CE ? A LYS 260 CE 
6 1 Y 1 AAA LYS 261 ? NZ ? A LYS 260 NZ 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? 5.8.0258 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   104.467 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8R2F 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     42.555 
_cell.length_a_esd                 ? 
_cell.length_b                     41.636 
_cell.length_b_esd                 ? 
_cell.length_c                     72.519 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        2 
_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                         8R2F 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                4 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 1 21 1' 
_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                   8R2F 
_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             2.12 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          42.09 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              8.0 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '1.5 M sodium citrate, 0.1 M Tris pH 8.0' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-10-24 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.0 
_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                        'ELETTRA BEAMLINE 11.2C' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.0 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   11.2C 
_diffrn_source.pdbx_synchrotron_site       ELETTRA 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8R2F 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.25 
_reflns.d_resolution_low                               41.240 
_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                                     65314 
_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                           95.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                5.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          18.6 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.052 
_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                              0.047 
_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                                    1.25 
_reflns_shell.d_res_low                                     1.27 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.8 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             2166 
_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                               3.4 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               0.45 
_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                                  0.868 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          64.8 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.382 
_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]                            1.749 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            -0.221 
_refine.aniso_B[2][2]                            -0.096 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            -1.358 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               16.472 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.976 
_refine.correlation_coeff_Fo_to_Fc_free          0.967 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8R2F 
_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                            1.250 
_refine.ls_d_res_low                             41.240 
_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                     65097 
_refine.ls_number_reflns_R_free                  3164 
_refine.ls_number_reflns_R_work                  61933 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    95.421 
_refine.ls_percent_reflns_R_free                 4.860 
_refine.ls_R_factor_all                          0.139 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1704 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1371 
_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                      0.166 
_refine.ls_wR_factor_R_work                      0.132 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               NONE 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.043 
_refine.pdbx_overall_ESU_R_Free                  0.043 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             1.623 
_refine.overall_SU_ML                            0.031 
_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                    0.9661 
_refine.pdbx_average_fsc_free                    0.9564 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.250 
_refine_hist.d_res_low                        41.240 
_refine_hist.number_atoms_solvent             257 
_refine_hist.number_atoms_total               2363 
_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        2053 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         53 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.018  0.013  2233 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.004  0.017  2020 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 2.119  1.636  3049 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.560  1.604  4724 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.940  5.000  277  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 34.840 23.661 112  ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.251 15.000 369  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 23.403 15.000 8    ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.129  0.200  271  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.014  0.020  2552 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.020  462  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.235  0.200  405  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.200  0.200  1899 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.179  0.200  1039 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.090  0.200  1002 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.134  0.200  160  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.101  0.200  3    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.274  0.200  15   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.211  0.200  48   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.112  0.200  25   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 7.783  1.391  1052 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 7.785  1.387  1051 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 7.620  2.082  1317 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 7.622  2.086  1318 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.558  1.859  1181 ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.556  1.861  1182 ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 8.725  2.651  1721 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 8.723  2.658  1722 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 7.938  17.842 2480 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 7.937  17.845 2481 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 8.916  3.000  4253 ? r_rigid_bond_restr             ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.250 1.282  . . 185 3152 66.7667  . . . . 0.192 . . . . . . . . . . . 0.252 
'X-RAY DIFFRACTION' 1.282 1.318  . . 191 3714 79.5154  . . . . 0.308 . . . . . . . . . . . 0.318 
'X-RAY DIFFRACTION' 1.318 1.356  . . 215 4380 96.7572  . . . . 0.148 . . . . . . . . . . . 0.195 
'X-RAY DIFFRACTION' 1.356 1.397  . . 214 4409 99.9784  . . . . 0.128 . . . . . . . . . . . 0.162 
'X-RAY DIFFRACTION' 1.397 1.443  . . 236 4225 99.8880  . . . . 0.130 . . . . . . . . . . . 0.187 
'X-RAY DIFFRACTION' 1.443 1.494  . . 195 4132 99.5857  . . . . 0.155 . . . . . . . . . . . 0.224 
'X-RAY DIFFRACTION' 1.494 1.550  . . 170 4024 100.0000 . . . . 0.107 . . . . . . . . . . . 0.185 
'X-RAY DIFFRACTION' 1.550 1.614  . . 191 3834 99.9752  . . . . 0.098 . . . . . . . . . . . 0.130 
'X-RAY DIFFRACTION' 1.614 1.685  . . 176 3666 99.9740  . . . . 0.097 . . . . . . . . . . . 0.148 
'X-RAY DIFFRACTION' 1.685 1.767  . . 188 3514 99.6233  . . . . 0.093 . . . . . . . . . . . 0.139 
'X-RAY DIFFRACTION' 1.767 1.863  . . 183 3356 99.8871  . . . . 0.100 . . . . . . . . . . . 0.148 
'X-RAY DIFFRACTION' 1.863 1.976  . . 139 3050 95.8809  . . . . 0.187 . . . . . . . . . . . 0.186 
'X-RAY DIFFRACTION' 1.976 2.112  . . 151 2966 99.5847  . . . . 0.114 . . . . . . . . . . . 0.147 
'X-RAY DIFFRACTION' 2.112 2.281  . . 138 2741 98.6973  . . . . 0.180 . . . . . . . . . . . 0.202 
'X-RAY DIFFRACTION' 2.281 2.499  . . 133 2551 99.0406  . . . . 0.124 . . . . . . . . . . . 0.128 
'X-RAY DIFFRACTION' 2.499 2.793  . . 127 2311 99.6322  . . . . 0.122 . . . . . . . . . . . 0.148 
'X-RAY DIFFRACTION' 2.793 3.225  . . 134 2018 99.6296  . . . . 0.126 . . . . . . . . . . . 0.181 
'X-RAY DIFFRACTION' 3.225 3.947  . . 100 1736 99.5662  . . . . 0.129 . . . . . . . . . . . 0.165 
'X-RAY DIFFRACTION' 3.947 5.573  . . 65  1368 99.1696  . . . . 0.132 . . . . . . . . . . . 0.151 
'X-RAY DIFFRACTION' 5.573 41.240 . . 33  786  99.1525  . . . . 0.196 . . . . . . . . . . . 0.211 
# 
_struct.entry_id                     8R2F 
_struct.title                        
;human carbonic anhydrase II in complex with 4-(((dimethoxyphosphoryl)(4-((dimethoxyphosphoryl)((4-sulfamoylphenyl)amino)methyl)phenyl)methyl)amino)phenyl sulfuramidite
;
_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        8R2F 
_struct_keywords.text            'human carbonic anhydrase II; sulfonamide; phosphonate; metalloenzyme; inhibitor, LYASE' 
_struct_keywords.pdbx_keywords   LYASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
F N N 6 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    CAH2_HUMAN 
_struct_ref.pdbx_db_accession          P00918 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLK
GGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVV
DVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELM
VDNWRPAQPLKNRQIKASFK
;
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8R2F 
_struct_ref_seq.pdbx_strand_id                AAA 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 260 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00918 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  260 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       261 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
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)' 510   ? 
1 MORE         -4    ? 
1 'SSA (A^2)'  11790 ? 
# 
_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 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0 
_pdbx_struct_oper_list.matrix[1][2]         0.0 
_pdbx_struct_oper_list.matrix[1][3]         0.0 
_pdbx_struct_oper_list.vector[1]            0.0 
_pdbx_struct_oper_list.matrix[2][1]         0.0 
_pdbx_struct_oper_list.matrix[2][2]         1.0 
_pdbx_struct_oper_list.matrix[2][3]         0.0 
_pdbx_struct_oper_list.vector[2]            0.0 
_pdbx_struct_oper_list.matrix[3][1]         0.0 
_pdbx_struct_oper_list.matrix[3][2]         0.0 
_pdbx_struct_oper_list.matrix[3][3]         1.0 
_pdbx_struct_oper_list.vector[3]            0.0 
# 
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 HIS A 15  ? ASP A 19  ? HIS AAA 15  ASP AAA 19  5 ? 5 
HELX_P HELX_P2 AA2 PHE A 20  ? GLY A 25  ? PHE AAA 20  GLY AAA 25  5 ? 6 
HELX_P HELX_P3 AA3 LYS A 126 ? GLY A 128 ? LYS AAA 127 GLY AAA 129 5 ? 3 
HELX_P HELX_P4 AA4 ASP A 129 ? VAL A 134 ? ASP AAA 130 VAL AAA 135 1 ? 6 
HELX_P HELX_P5 AA5 LYS A 153 ? GLY A 155 ? LYS AAA 154 GLY AAA 156 5 ? 3 
HELX_P HELX_P6 AA6 LEU A 156 ? LEU A 163 ? LEU AAA 157 LEU AAA 164 1 ? 8 
HELX_P HELX_P7 AA7 ASP A 164 ? LYS A 167 ? ASP AAA 165 LYS AAA 168 5 ? 4 
HELX_P HELX_P8 AA8 ASP A 179 ? LEU A 184 ? ASP AAA 180 LEU AAA 185 5 ? 6 
HELX_P HELX_P9 AA9 SER A 218 ? ARG A 226 ? SER AAA 219 ARG AAA 227 1 ? 9 
# 
_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 
metalc1 metalc ? ? A HIS 94  NE2 ? ? ? 1_555 D ZN  . ZN  ? ? AAA HIS 94  AAA ZN  303 1_555 ? ? ? ? ? ? ? 2.067 ? ? 
metalc2 metalc ? ? A HIS 96  NE2 ? ? ? 1_555 D ZN  . ZN  ? ? AAA HIS 96  AAA ZN  303 1_555 ? ? ? ? ? ? ? 2.034 ? ? 
metalc3 metalc ? ? A HIS 119 ND1 ? ? ? 1_555 D ZN  . ZN  ? ? AAA HIS 119 AAA ZN  303 1_555 ? ? ? ? ? ? ? 1.998 ? ? 
metalc4 metalc ? ? D ZN  .   ZN  ? ? ? 1_555 E XNF . N26 ? ? AAA ZN  303 AAA XNF 304 1_555 ? ? ? ? ? ? ? 1.898 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
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 94  ? AAA HIS 94  ? 1_555 ZN ? D ZN . ? AAA ZN 303 ? 1_555 NE2 ? A HIS 96  ? AAA HIS 96  ? 1_555 104.5 ? 
2 NE2 ? A HIS 94  ? AAA HIS 94  ? 1_555 ZN ? D ZN . ? AAA ZN 303 ? 1_555 ND1 ? A HIS 119 ? AAA HIS 119 ? 1_555 109.4 ? 
3 NE2 ? A HIS 96  ? AAA HIS 96  ? 1_555 ZN ? D ZN . ? AAA ZN 303 ? 1_555 ND1 ? A HIS 119 ? AAA HIS 119 ? 1_555 98.6  ? 
4 NE2 ? A HIS 94  ? AAA HIS 94  ? 1_555 ZN ? D ZN . ? AAA ZN 303 ? 1_555 N26 ? E XNF .   ? AAA XNF 304 ? 1_555 111.7 ? 
5 NE2 ? A HIS 96  ? AAA HIS 96  ? 1_555 ZN ? D ZN . ? AAA ZN 303 ? 1_555 N26 ? E XNF .   ? AAA XNF 304 ? 1_555 111.9 ? 
6 ND1 ? A HIS 119 ? AAA HIS 119 ? 1_555 ZN ? D ZN . ? AAA ZN 303 ? 1_555 N26 ? E XNF .   ? AAA XNF 304 ? 1_555 119.2 ? 
# 
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 SER 29  A . ? SER 29  AAA PRO 30  A ? PRO 30  AAA 1 1.20  
2 PRO 200 A . ? PRO 201 AAA PRO 201 A ? PRO 202 AAA 1 12.40 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 2  ? 
AA2 ? 10 ? 
AA3 ? 6  ? 
# 
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  ? parallel      
AA2 1 2  ? parallel      
AA2 2 3  ? anti-parallel 
AA2 3 4  ? anti-parallel 
AA2 4 5  ? parallel      
AA2 5 6  ? anti-parallel 
AA2 6 7  ? anti-parallel 
AA2 7 8  ? anti-parallel 
AA2 8 9  ? anti-parallel 
AA2 9 10 ? anti-parallel 
AA3 1 2  ? anti-parallel 
AA3 2 3  ? anti-parallel 
AA3 3 4  ? anti-parallel 
AA3 4 5  ? anti-parallel 
AA3 5 6  ? 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  ASP A 32  ? ILE A 33  ? ASP AAA 32  ILE AAA 33  
AA1 2  THR A 108 ? VAL A 109 ? THR AAA 108 VAL AAA 109 
AA2 1  LYS A 39  ? TYR A 40  ? LYS AAA 39  TYR AAA 40  
AA2 2  LYS A 256 ? ALA A 257 ? LYS AAA 257 ALA AAA 258 
AA2 3  TYR A 190 ? GLY A 195 ? TYR AAA 191 GLY AAA 196 
AA2 4  VAL A 206 ? LEU A 211 ? VAL AAA 207 LEU AAA 212 
AA2 5  LEU A 140 ? VAL A 149 ? LEU AAA 141 VAL AAA 150 
AA2 6  ALA A 116 ? ASN A 124 ? ALA AAA 116 ASN AAA 124 
AA2 7  TYR A 88  ? TRP A 97  ? TYR AAA 88  TRP AAA 97  
AA2 8  PHE A 66  ? PHE A 70  ? PHE AAA 66  PHE AAA 70  
AA2 9  SER A 56  ? ASN A 61  ? SER AAA 56  ASN AAA 61  
AA2 10 SER A 172 ? ASP A 174 ? SER AAA 173 ASP AAA 175 
AA3 1  SER A 48  ? SER A 50  ? SER AAA 48  SER AAA 50  
AA3 2  VAL A 78  ? LYS A 80  ? VAL AAA 78  LYS AAA 80  
AA3 3  TYR A 88  ? TRP A 97  ? TYR AAA 88  TRP AAA 97  
AA3 4  ALA A 116 ? ASN A 124 ? ALA AAA 116 ASN AAA 124 
AA3 5  LEU A 140 ? VAL A 149 ? LEU AAA 141 VAL AAA 150 
AA3 6  ILE A 215 ? VAL A 217 ? ILE AAA 216 VAL AAA 218 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2  N ILE A 33  ? N ILE AAA 33  O THR A 108 ? O THR AAA 108 
AA2 1 2  N LYS A 39  ? N LYS AAA 39  O ALA A 257 ? O ALA AAA 258 
AA2 2 3  O LYS A 256 ? O LYS AAA 257 N THR A 192 ? N THR AAA 193 
AA2 3 4  N GLY A 195 ? N GLY AAA 196 O VAL A 206 ? O VAL AAA 207 
AA2 4 5  O LEU A 211 ? O LEU AAA 212 N GLY A 144 ? N GLY AAA 145 
AA2 5 6  O ILE A 145 ? O ILE AAA 146 N LEU A 118 ? N LEU AAA 118 
AA2 6 7  O HIS A 119 ? O HIS AAA 119 N HIS A 94  ? N HIS AAA 94  
AA2 7 8  O PHE A 93  ? O PHE AAA 93  N VAL A 68  ? N VAL AAA 68  
AA2 8 9  O GLU A 69  ? O GLU AAA 69  N LEU A 57  ? N LEU AAA 57  
AA2 9 10 N ILE A 59  ? N ILE AAA 59  O ALA A 173 ? O ALA AAA 174 
AA3 1 2  N SER A 48  ? N SER AAA 48  O LYS A 80  ? O LYS AAA 80  
AA3 2 3  N LEU A 79  ? N LEU AAA 79  O TYR A 88  ? O TYR AAA 88  
AA3 3 4  N HIS A 94  ? N HIS AAA 94  O HIS A 119 ? O HIS AAA 119 
AA3 4 5  N LEU A 118 ? N LEU AAA 118 O ILE A 145 ? O ILE AAA 146 
AA3 5 6  N PHE A 146 ? N PHE AAA 147 O ILE A 215 ? O ILE AAA 216 
# 
_pdbx_entry_details.entry_id                   8R2F 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            CD 
_pdbx_validate_rmsd_bond.auth_asym_id_1            AAA 
_pdbx_validate_rmsd_bond.auth_comp_id_1            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_1             14 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            OE2 
_pdbx_validate_rmsd_bond.auth_asym_id_2            AAA 
_pdbx_validate_rmsd_bond.auth_comp_id_2            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_2             14 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.354 
_pdbx_validate_rmsd_bond.bond_target_value         1.252 
_pdbx_validate_rmsd_bond.bond_deviation            0.102 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.011 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 NE AAA ARG 27  ? B CZ AAA ARG 27  ? B NH2 AAA ARG 27  ? B 114.65 120.30 -5.65  0.50 N 
2 1 CG AAA ARG 89  ? ? CD AAA ARG 89  ? ? NE  AAA ARG 89  ? ? 98.82  111.80 -12.98 2.10 N 
3 1 CB AAA LEU 141 ? ? CG AAA LEU 141 ? ? CD2 AAA LEU 141 ? ? 127.31 111.00 16.31  1.70 N 
4 1 CB AAA PHE 226 ? ? CG AAA PHE 226 ? ? CD1 AAA PHE 226 ? ? 126.19 120.80 5.39   0.70 N 
5 1 NE AAA ARG 246 ? ? CZ AAA ARG 246 ? ? NH1 AAA ARG 246 ? ? 124.87 120.30 4.57   0.50 N 
6 1 NE AAA ARG 246 ? ? CZ AAA ARG 246 ? ? NH2 AAA ARG 246 ? ? 116.77 120.30 -3.53  0.50 N 
7 1 NE AAA ARG 254 ? ? CZ AAA ARG 254 ? ? NH1 AAA ARG 254 ? ? 124.04 120.30 3.74   0.50 N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN AAA 11  ? ? -141.76 17.65   
2 1 ARG AAA 27  ? ? -141.06 52.36   
3 1 ALA AAA 65  ? ? -161.29 -168.60 
4 1 LYS AAA 76  ? ? -106.07 -87.08  
5 1 LYS AAA 111 ? ? 71.76   -0.37   
6 1 ASN AAA 244 ? ? -91.52  46.78   
7 1 LYS AAA 252 ? ? 56.11   -138.71 
8 1 ASN AAA 253 ? ? -91.80  59.99   
# 
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 ? AAA HOH 652 ? 5.85 . 
2 1 O ? AAA HOH 653 ? 6.10 . 
3 1 O ? AAA HOH 654 ? 6.42 . 
4 1 O ? AAA HOH 655 ? 6.77 . 
5 1 O ? AAA HOH 656 ? 8.05 . 
6 1 O ? AAA HOH 657 ? 9.05 . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 AAA MET 1 ? A MET 1 
2 1 Y 1 AAA SER 2 ? A SER 2 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
ASP N    N  N N 58  
ASP CA   C  N S 59  
ASP C    C  N N 60  
ASP O    O  N N 61  
ASP CB   C  N N 62  
ASP CG   C  N N 63  
ASP OD1  O  N N 64  
ASP OD2  O  N N 65  
ASP OXT  O  N N 66  
ASP H    H  N N 67  
ASP H2   H  N N 68  
ASP HA   H  N N 69  
ASP HB2  H  N N 70  
ASP HB3  H  N N 71  
ASP HD2  H  N N 72  
ASP HXT  H  N N 73  
CYS N    N  N N 74  
CYS CA   C  N R 75  
CYS C    C  N N 76  
CYS O    O  N N 77  
CYS CB   C  N N 78  
CYS SG   S  N N 79  
CYS OXT  O  N N 80  
CYS H    H  N N 81  
CYS H2   H  N N 82  
CYS HA   H  N N 83  
CYS HB2  H  N N 84  
CYS HB3  H  N N 85  
CYS HG   H  N N 86  
CYS HXT  H  N N 87  
EDO C1   C  N N 88  
EDO O1   O  N N 89  
EDO C2   C  N N 90  
EDO O2   O  N N 91  
EDO H11  H  N N 92  
EDO H12  H  N N 93  
EDO HO1  H  N N 94  
EDO H21  H  N N 95  
EDO H22  H  N N 96  
EDO HO2  H  N N 97  
GLN N    N  N N 98  
GLN CA   C  N S 99  
GLN C    C  N N 100 
GLN O    O  N N 101 
GLN CB   C  N N 102 
GLN CG   C  N N 103 
GLN CD   C  N N 104 
GLN OE1  O  N N 105 
GLN NE2  N  N N 106 
GLN OXT  O  N N 107 
GLN H    H  N N 108 
GLN H2   H  N N 109 
GLN HA   H  N N 110 
GLN HB2  H  N N 111 
GLN HB3  H  N N 112 
GLN HG2  H  N N 113 
GLN HG3  H  N N 114 
GLN HE21 H  N N 115 
GLN HE22 H  N N 116 
GLN HXT  H  N N 117 
GLU N    N  N N 118 
GLU CA   C  N S 119 
GLU C    C  N N 120 
GLU O    O  N N 121 
GLU CB   C  N N 122 
GLU CG   C  N N 123 
GLU CD   C  N N 124 
GLU OE1  O  N N 125 
GLU OE2  O  N N 126 
GLU OXT  O  N N 127 
GLU H    H  N N 128 
GLU H2   H  N N 129 
GLU HA   H  N N 130 
GLU HB2  H  N N 131 
GLU HB3  H  N N 132 
GLU HG2  H  N N 133 
GLU HG3  H  N N 134 
GLU HE2  H  N N 135 
GLU HXT  H  N N 136 
GLY N    N  N N 137 
GLY CA   C  N N 138 
GLY C    C  N N 139 
GLY O    O  N N 140 
GLY OXT  O  N N 141 
GLY H    H  N N 142 
GLY H2   H  N N 143 
GLY HA2  H  N N 144 
GLY HA3  H  N N 145 
GLY HXT  H  N N 146 
GOL C1   C  N N 147 
GOL O1   O  N N 148 
GOL C2   C  N N 149 
GOL O2   O  N N 150 
GOL C3   C  N N 151 
GOL O3   O  N N 152 
GOL H11  H  N N 153 
GOL H12  H  N N 154 
GOL HO1  H  N N 155 
GOL H2   H  N N 156 
GOL HO2  H  N N 157 
GOL H31  H  N N 158 
GOL H32  H  N N 159 
GOL HO3  H  N N 160 
HIS N    N  N N 161 
HIS CA   C  N S 162 
HIS C    C  N N 163 
HIS O    O  N N 164 
HIS CB   C  N N 165 
HIS CG   C  Y N 166 
HIS ND1  N  Y N 167 
HIS CD2  C  Y N 168 
HIS CE1  C  Y N 169 
HIS NE2  N  Y N 170 
HIS OXT  O  N N 171 
HIS H    H  N N 172 
HIS H2   H  N N 173 
HIS HA   H  N N 174 
HIS HB2  H  N N 175 
HIS HB3  H  N N 176 
HIS HD1  H  N N 177 
HIS HD2  H  N N 178 
HIS HE1  H  N N 179 
HIS HE2  H  N N 180 
HIS HXT  H  N N 181 
HOH O    O  N N 182 
HOH H1   H  N N 183 
HOH H2   H  N N 184 
ILE N    N  N N 185 
ILE CA   C  N S 186 
ILE C    C  N N 187 
ILE O    O  N N 188 
ILE CB   C  N S 189 
ILE CG1  C  N N 190 
ILE CG2  C  N N 191 
ILE CD1  C  N N 192 
ILE OXT  O  N N 193 
ILE H    H  N N 194 
ILE H2   H  N N 195 
ILE HA   H  N N 196 
ILE HB   H  N N 197 
ILE HG12 H  N N 198 
ILE HG13 H  N N 199 
ILE HG21 H  N N 200 
ILE HG22 H  N N 201 
ILE HG23 H  N N 202 
ILE HD11 H  N N 203 
ILE HD12 H  N N 204 
ILE HD13 H  N N 205 
ILE HXT  H  N N 206 
LEU N    N  N N 207 
LEU CA   C  N S 208 
LEU C    C  N N 209 
LEU O    O  N N 210 
LEU CB   C  N N 211 
LEU CG   C  N N 212 
LEU CD1  C  N N 213 
LEU CD2  C  N N 214 
LEU OXT  O  N N 215 
LEU H    H  N N 216 
LEU H2   H  N N 217 
LEU HA   H  N N 218 
LEU HB2  H  N N 219 
LEU HB3  H  N N 220 
LEU HG   H  N N 221 
LEU HD11 H  N N 222 
LEU HD12 H  N N 223 
LEU HD13 H  N N 224 
LEU HD21 H  N N 225 
LEU HD22 H  N N 226 
LEU HD23 H  N N 227 
LEU HXT  H  N N 228 
LYS N    N  N N 229 
LYS CA   C  N S 230 
LYS C    C  N N 231 
LYS O    O  N N 232 
LYS CB   C  N N 233 
LYS CG   C  N N 234 
LYS CD   C  N N 235 
LYS CE   C  N N 236 
LYS NZ   N  N N 237 
LYS OXT  O  N N 238 
LYS H    H  N N 239 
LYS H2   H  N N 240 
LYS HA   H  N N 241 
LYS HB2  H  N N 242 
LYS HB3  H  N N 243 
LYS HG2  H  N N 244 
LYS HG3  H  N N 245 
LYS HD2  H  N N 246 
LYS HD3  H  N N 247 
LYS HE2  H  N N 248 
LYS HE3  H  N N 249 
LYS HZ1  H  N N 250 
LYS HZ2  H  N N 251 
LYS HZ3  H  N N 252 
LYS HXT  H  N N 253 
MET N    N  N N 254 
MET CA   C  N S 255 
MET C    C  N N 256 
MET O    O  N N 257 
MET CB   C  N N 258 
MET CG   C  N N 259 
MET SD   S  N N 260 
MET CE   C  N N 261 
MET OXT  O  N N 262 
MET H    H  N N 263 
MET H2   H  N N 264 
MET HA   H  N N 265 
MET HB2  H  N N 266 
MET HB3  H  N N 267 
MET HG2  H  N N 268 
MET HG3  H  N N 269 
MET HE1  H  N N 270 
MET HE2  H  N N 271 
MET HE3  H  N N 272 
MET HXT  H  N N 273 
PHE N    N  N N 274 
PHE CA   C  N S 275 
PHE C    C  N N 276 
PHE O    O  N N 277 
PHE CB   C  N N 278 
PHE CG   C  Y N 279 
PHE CD1  C  Y N 280 
PHE CD2  C  Y N 281 
PHE CE1  C  Y N 282 
PHE CE2  C  Y N 283 
PHE CZ   C  Y N 284 
PHE OXT  O  N N 285 
PHE H    H  N N 286 
PHE H2   H  N N 287 
PHE HA   H  N N 288 
PHE HB2  H  N N 289 
PHE HB3  H  N N 290 
PHE HD1  H  N N 291 
PHE HD2  H  N N 292 
PHE HE1  H  N N 293 
PHE HE2  H  N N 294 
PHE HZ   H  N N 295 
PHE HXT  H  N N 296 
PRO N    N  N N 297 
PRO CA   C  N S 298 
PRO C    C  N N 299 
PRO O    O  N N 300 
PRO CB   C  N N 301 
PRO CG   C  N N 302 
PRO CD   C  N N 303 
PRO OXT  O  N N 304 
PRO H    H  N N 305 
PRO HA   H  N N 306 
PRO HB2  H  N N 307 
PRO HB3  H  N N 308 
PRO HG2  H  N N 309 
PRO HG3  H  N N 310 
PRO HD2  H  N N 311 
PRO HD3  H  N N 312 
PRO HXT  H  N N 313 
SER N    N  N N 314 
SER CA   C  N S 315 
SER C    C  N N 316 
SER O    O  N N 317 
SER CB   C  N N 318 
SER OG   O  N N 319 
SER OXT  O  N N 320 
SER H    H  N N 321 
SER H2   H  N N 322 
SER HA   H  N N 323 
SER HB2  H  N N 324 
SER HB3  H  N N 325 
SER HG   H  N N 326 
SER HXT  H  N N 327 
THR N    N  N N 328 
THR CA   C  N S 329 
THR C    C  N N 330 
THR O    O  N N 331 
THR CB   C  N R 332 
THR OG1  O  N N 333 
THR CG2  C  N N 334 
THR OXT  O  N N 335 
THR H    H  N N 336 
THR H2   H  N N 337 
THR HA   H  N N 338 
THR HB   H  N N 339 
THR HG1  H  N N 340 
THR HG21 H  N N 341 
THR HG22 H  N N 342 
THR HG23 H  N N 343 
THR HXT  H  N N 344 
TRP N    N  N N 345 
TRP CA   C  N S 346 
TRP C    C  N N 347 
TRP O    O  N N 348 
TRP CB   C  N N 349 
TRP CG   C  Y N 350 
TRP CD1  C  Y N 351 
TRP CD2  C  Y N 352 
TRP NE1  N  Y N 353 
TRP CE2  C  Y N 354 
TRP CE3  C  Y N 355 
TRP CZ2  C  Y N 356 
TRP CZ3  C  Y N 357 
TRP CH2  C  Y N 358 
TRP OXT  O  N N 359 
TRP H    H  N N 360 
TRP H2   H  N N 361 
TRP HA   H  N N 362 
TRP HB2  H  N N 363 
TRP HB3  H  N N 364 
TRP HD1  H  N N 365 
TRP HE1  H  N N 366 
TRP HE3  H  N N 367 
TRP HZ2  H  N N 368 
TRP HZ3  H  N N 369 
TRP HH2  H  N N 370 
TRP HXT  H  N N 371 
TYR N    N  N N 372 
TYR CA   C  N S 373 
TYR C    C  N N 374 
TYR O    O  N N 375 
TYR CB   C  N N 376 
TYR CG   C  Y N 377 
TYR CD1  C  Y N 378 
TYR CD2  C  Y N 379 
TYR CE1  C  Y N 380 
TYR CE2  C  Y N 381 
TYR CZ   C  Y N 382 
TYR OH   O  N N 383 
TYR OXT  O  N N 384 
TYR H    H  N N 385 
TYR H2   H  N N 386 
TYR HA   H  N N 387 
TYR HB2  H  N N 388 
TYR HB3  H  N N 389 
TYR HD1  H  N N 390 
TYR HD2  H  N N 391 
TYR HE1  H  N N 392 
TYR HE2  H  N N 393 
TYR HH   H  N N 394 
TYR HXT  H  N N 395 
VAL N    N  N N 396 
VAL CA   C  N S 397 
VAL C    C  N N 398 
VAL O    O  N N 399 
VAL CB   C  N N 400 
VAL CG1  C  N N 401 
VAL CG2  C  N N 402 
VAL OXT  O  N N 403 
VAL H    H  N N 404 
VAL H2   H  N N 405 
VAL HA   H  N N 406 
VAL HB   H  N N 407 
VAL HG11 H  N N 408 
VAL HG12 H  N N 409 
VAL HG13 H  N N 410 
VAL HG21 H  N N 411 
VAL HG22 H  N N 412 
VAL HG23 H  N N 413 
VAL HXT  H  N N 414 
XNF O1   O  N N 415 
XNF P2   P  N N 416 
XNF O3   O  N N 417 
XNF C4   C  N N 418 
XNF O5   O  N N 419 
XNF C6   C  N N 420 
XNF C7   C  N S 421 
XNF C8   C  Y N 422 
XNF C9   C  Y N 423 
XNF C10  C  Y N 424 
XNF C11  C  Y N 425 
XNF C12  C  N S 426 
XNF P13  P  N N 427 
XNF O14  O  N N 428 
XNF C15  C  N N 429 
XNF O16  O  N N 430 
XNF C17  C  N N 431 
XNF O18  O  N N 432 
XNF N19  N  N N 433 
XNF C20  C  Y N 434 
XNF C21  C  Y N 435 
XNF C22  C  Y N 436 
XNF C23  C  Y N 437 
XNF S24  S  N N 438 
XNF O25  O  N N 439 
XNF N26  N  N N 440 
XNF O27  O  N N 441 
XNF C28  C  Y N 442 
XNF C29  C  Y N 443 
XNF C30  C  Y N 444 
XNF C31  C  Y N 445 
XNF N32  N  N N 446 
XNF C33  C  Y N 447 
XNF C34  C  Y N 448 
XNF C35  C  Y N 449 
XNF C36  C  Y N 450 
XNF S37  S  N N 451 
XNF O38  O  N N 452 
XNF N39  N  N N 453 
XNF O40  O  N N 454 
XNF C41  C  Y N 455 
XNF C42  C  Y N 456 
XNF H4C  H  N N 457 
XNF H4A  H  N N 458 
XNF H4B  H  N N 459 
XNF H6C  H  N N 460 
XNF H6B  H  N N 461 
XNF H6A  H  N N 462 
XNF H7   H  N N 463 
XNF H9   H  N N 464 
XNF H10  H  N N 465 
XNF H12  H  N N 466 
XNF H15A H  N N 467 
XNF H15C H  N N 468 
XNF H15B H  N N 469 
XNF H17C H  N N 470 
XNF H17B H  N N 471 
XNF H17A H  N N 472 
XNF H19  H  N N 473 
XNF H21  H  N N 474 
XNF H22  H  N N 475 
XNF H26A H  N N 476 
XNF H26B H  N N 477 
XNF H28  H  N N 478 
XNF H29  H  N N 479 
XNF H30  H  N N 480 
XNF H31  H  N N 481 
XNF H32  H  N N 482 
XNF H34  H  N N 483 
XNF H35  H  N N 484 
XNF H39A H  N N 485 
XNF H39B H  N N 486 
XNF H41  H  N N 487 
XNF H42  H  N N 488 
ZN  ZN   ZN N N 489 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
GOL C1  O1   sing N N 138 
GOL C1  C2   sing N N 139 
GOL C1  H11  sing N N 140 
GOL C1  H12  sing N N 141 
GOL O1  HO1  sing N N 142 
GOL C2  O2   sing N N 143 
GOL C2  C3   sing N N 144 
GOL C2  H2   sing N N 145 
GOL O2  HO2  sing N N 146 
GOL C3  O3   sing N N 147 
GOL C3  H31  sing N N 148 
GOL C3  H32  sing N N 149 
GOL O3  HO3  sing N N 150 
HIS N   CA   sing N N 151 
HIS N   H    sing N N 152 
HIS N   H2   sing N N 153 
HIS CA  C    sing N N 154 
HIS CA  CB   sing N N 155 
HIS CA  HA   sing N N 156 
HIS C   O    doub N N 157 
HIS C   OXT  sing N N 158 
HIS CB  CG   sing N N 159 
HIS CB  HB2  sing N N 160 
HIS CB  HB3  sing N N 161 
HIS CG  ND1  sing Y N 162 
HIS CG  CD2  doub Y N 163 
HIS ND1 CE1  doub Y N 164 
HIS ND1 HD1  sing N N 165 
HIS CD2 NE2  sing Y N 166 
HIS CD2 HD2  sing N N 167 
HIS CE1 NE2  sing Y N 168 
HIS CE1 HE1  sing N N 169 
HIS NE2 HE2  sing N N 170 
HIS OXT HXT  sing N N 171 
HOH O   H1   sing N N 172 
HOH O   H2   sing N N 173 
ILE N   CA   sing N N 174 
ILE N   H    sing N N 175 
ILE N   H2   sing N N 176 
ILE CA  C    sing N N 177 
ILE CA  CB   sing N N 178 
ILE CA  HA   sing N N 179 
ILE C   O    doub N N 180 
ILE C   OXT  sing N N 181 
ILE CB  CG1  sing N N 182 
ILE CB  CG2  sing N N 183 
ILE CB  HB   sing N N 184 
ILE CG1 CD1  sing N N 185 
ILE CG1 HG12 sing N N 186 
ILE CG1 HG13 sing N N 187 
ILE CG2 HG21 sing N N 188 
ILE CG2 HG22 sing N N 189 
ILE CG2 HG23 sing N N 190 
ILE CD1 HD11 sing N N 191 
ILE CD1 HD12 sing N N 192 
ILE CD1 HD13 sing N N 193 
ILE OXT HXT  sing N N 194 
LEU N   CA   sing N N 195 
LEU N   H    sing N N 196 
LEU N   H2   sing N N 197 
LEU CA  C    sing N N 198 
LEU CA  CB   sing N N 199 
LEU CA  HA   sing N N 200 
LEU C   O    doub N N 201 
LEU C   OXT  sing N N 202 
LEU CB  CG   sing N N 203 
LEU CB  HB2  sing N N 204 
LEU CB  HB3  sing N N 205 
LEU CG  CD1  sing N N 206 
LEU CG  CD2  sing N N 207 
LEU CG  HG   sing N N 208 
LEU CD1 HD11 sing N N 209 
LEU CD1 HD12 sing N N 210 
LEU CD1 HD13 sing N N 211 
LEU CD2 HD21 sing N N 212 
LEU CD2 HD22 sing N N 213 
LEU CD2 HD23 sing N N 214 
LEU OXT HXT  sing N N 215 
LYS N   CA   sing N N 216 
LYS N   H    sing N N 217 
LYS N   H2   sing N N 218 
LYS CA  C    sing N N 219 
LYS CA  CB   sing N N 220 
LYS CA  HA   sing N N 221 
LYS C   O    doub N N 222 
LYS C   OXT  sing N N 223 
LYS CB  CG   sing N N 224 
LYS CB  HB2  sing N N 225 
LYS CB  HB3  sing N N 226 
LYS CG  CD   sing N N 227 
LYS CG  HG2  sing N N 228 
LYS CG  HG3  sing N N 229 
LYS CD  CE   sing N N 230 
LYS CD  HD2  sing N N 231 
LYS CD  HD3  sing N N 232 
LYS CE  NZ   sing N N 233 
LYS CE  HE2  sing N N 234 
LYS CE  HE3  sing N N 235 
LYS NZ  HZ1  sing N N 236 
LYS NZ  HZ2  sing N N 237 
LYS NZ  HZ3  sing N N 238 
LYS OXT HXT  sing N N 239 
MET N   CA   sing N N 240 
MET N   H    sing N N 241 
MET N   H2   sing N N 242 
MET CA  C    sing N N 243 
MET CA  CB   sing N N 244 
MET CA  HA   sing N N 245 
MET C   O    doub N N 246 
MET C   OXT  sing N N 247 
MET CB  CG   sing N N 248 
MET CB  HB2  sing N N 249 
MET CB  HB3  sing N N 250 
MET CG  SD   sing N N 251 
MET CG  HG2  sing N N 252 
MET CG  HG3  sing N N 253 
MET SD  CE   sing N N 254 
MET CE  HE1  sing N N 255 
MET CE  HE2  sing N N 256 
MET CE  HE3  sing N N 257 
MET OXT HXT  sing N N 258 
PHE N   CA   sing N N 259 
PHE N   H    sing N N 260 
PHE N   H2   sing N N 261 
PHE CA  C    sing N N 262 
PHE CA  CB   sing N N 263 
PHE CA  HA   sing N N 264 
PHE C   O    doub N N 265 
PHE C   OXT  sing N N 266 
PHE CB  CG   sing N N 267 
PHE CB  HB2  sing N N 268 
PHE CB  HB3  sing N N 269 
PHE CG  CD1  doub Y N 270 
PHE CG  CD2  sing Y N 271 
PHE CD1 CE1  sing Y N 272 
PHE CD1 HD1  sing N N 273 
PHE CD2 CE2  doub Y N 274 
PHE CD2 HD2  sing N N 275 
PHE CE1 CZ   doub Y N 276 
PHE CE1 HE1  sing N N 277 
PHE CE2 CZ   sing Y N 278 
PHE CE2 HE2  sing N N 279 
PHE CZ  HZ   sing N N 280 
PHE OXT HXT  sing N N 281 
PRO N   CA   sing N N 282 
PRO N   CD   sing N N 283 
PRO N   H    sing N N 284 
PRO CA  C    sing N N 285 
PRO CA  CB   sing N N 286 
PRO CA  HA   sing N N 287 
PRO C   O    doub N N 288 
PRO C   OXT  sing N N 289 
PRO CB  CG   sing N N 290 
PRO CB  HB2  sing N N 291 
PRO CB  HB3  sing N N 292 
PRO CG  CD   sing N N 293 
PRO CG  HG2  sing N N 294 
PRO CG  HG3  sing N N 295 
PRO CD  HD2  sing N N 296 
PRO CD  HD3  sing N N 297 
PRO OXT HXT  sing N N 298 
SER N   CA   sing N N 299 
SER N   H    sing N N 300 
SER N   H2   sing N N 301 
SER CA  C    sing N N 302 
SER CA  CB   sing N N 303 
SER CA  HA   sing N N 304 
SER C   O    doub N N 305 
SER C   OXT  sing N N 306 
SER CB  OG   sing N N 307 
SER CB  HB2  sing N N 308 
SER CB  HB3  sing N N 309 
SER OG  HG   sing N N 310 
SER OXT HXT  sing N N 311 
THR N   CA   sing N N 312 
THR N   H    sing N N 313 
THR N   H2   sing N N 314 
THR CA  C    sing N N 315 
THR CA  CB   sing N N 316 
THR CA  HA   sing N N 317 
THR C   O    doub N N 318 
THR C   OXT  sing N N 319 
THR CB  OG1  sing N N 320 
THR CB  CG2  sing N N 321 
THR CB  HB   sing N N 322 
THR OG1 HG1  sing N N 323 
THR CG2 HG21 sing N N 324 
THR CG2 HG22 sing N N 325 
THR CG2 HG23 sing N N 326 
THR OXT HXT  sing N N 327 
TRP N   CA   sing N N 328 
TRP N   H    sing N N 329 
TRP N   H2   sing N N 330 
TRP CA  C    sing N N 331 
TRP CA  CB   sing N N 332 
TRP CA  HA   sing N N 333 
TRP C   O    doub N N 334 
TRP C   OXT  sing N N 335 
TRP CB  CG   sing N N 336 
TRP CB  HB2  sing N N 337 
TRP CB  HB3  sing N N 338 
TRP CG  CD1  doub Y N 339 
TRP CG  CD2  sing Y N 340 
TRP CD1 NE1  sing Y N 341 
TRP CD1 HD1  sing N N 342 
TRP CD2 CE2  doub Y N 343 
TRP CD2 CE3  sing Y N 344 
TRP NE1 CE2  sing Y N 345 
TRP NE1 HE1  sing N N 346 
TRP CE2 CZ2  sing Y N 347 
TRP CE3 CZ3  doub Y N 348 
TRP CE3 HE3  sing N N 349 
TRP CZ2 CH2  doub Y N 350 
TRP CZ2 HZ2  sing N N 351 
TRP CZ3 CH2  sing Y N 352 
TRP CZ3 HZ3  sing N N 353 
TRP CH2 HH2  sing N N 354 
TRP OXT HXT  sing N N 355 
TYR N   CA   sing N N 356 
TYR N   H    sing N N 357 
TYR N   H2   sing N N 358 
TYR CA  C    sing N N 359 
TYR CA  CB   sing N N 360 
TYR CA  HA   sing N N 361 
TYR C   O    doub N N 362 
TYR C   OXT  sing N N 363 
TYR CB  CG   sing N N 364 
TYR CB  HB2  sing N N 365 
TYR CB  HB3  sing N N 366 
TYR CG  CD1  doub Y N 367 
TYR CG  CD2  sing Y N 368 
TYR CD1 CE1  sing Y N 369 
TYR CD1 HD1  sing N N 370 
TYR CD2 CE2  doub Y N 371 
TYR CD2 HD2  sing N N 372 
TYR CE1 CZ   doub Y N 373 
TYR CE1 HE1  sing N N 374 
TYR CE2 CZ   sing Y N 375 
TYR CE2 HE2  sing N N 376 
TYR CZ  OH   sing N N 377 
TYR OH  HH   sing N N 378 
TYR OXT HXT  sing N N 379 
VAL N   CA   sing N N 380 
VAL N   H    sing N N 381 
VAL N   H2   sing N N 382 
VAL CA  C    sing N N 383 
VAL CA  CB   sing N N 384 
VAL CA  HA   sing N N 385 
VAL C   O    doub N N 386 
VAL C   OXT  sing N N 387 
VAL CB  CG1  sing N N 388 
VAL CB  CG2  sing N N 389 
VAL CB  HB   sing N N 390 
VAL CG1 HG11 sing N N 391 
VAL CG1 HG12 sing N N 392 
VAL CG1 HG13 sing N N 393 
VAL CG2 HG21 sing N N 394 
VAL CG2 HG22 sing N N 395 
VAL CG2 HG23 sing N N 396 
VAL OXT HXT  sing N N 397 
XNF O1  P2   doub N N 398 
XNF P2  O3   sing N N 399 
XNF O3  C4   sing N N 400 
XNF P2  O5   sing N N 401 
XNF O5  C6   sing N N 402 
XNF P2  C7   sing N N 403 
XNF C7  C8   sing N N 404 
XNF C8  C9   doub Y N 405 
XNF C9  C10  sing Y N 406 
XNF C10 C11  doub Y N 407 
XNF C11 C12  sing N N 408 
XNF C12 P13  sing N N 409 
XNF P13 O14  sing N N 410 
XNF O14 C15  sing N N 411 
XNF P13 O16  sing N N 412 
XNF O16 C17  sing N N 413 
XNF P13 O18  doub N N 414 
XNF C12 N19  sing N N 415 
XNF N19 C20  sing N N 416 
XNF C20 C21  doub Y N 417 
XNF C21 C22  sing Y N 418 
XNF C22 C23  doub Y N 419 
XNF C23 S24  sing N N 420 
XNF S24 O25  doub N N 421 
XNF S24 N26  sing N N 422 
XNF S24 O27  doub N N 423 
XNF C23 C28  sing Y N 424 
XNF C28 C29  doub Y N 425 
XNF C11 C30  sing Y N 426 
XNF C30 C31  doub Y N 427 
XNF C7  N32  sing N N 428 
XNF N32 C33  sing N N 429 
XNF C33 C34  doub Y N 430 
XNF C34 C35  sing Y N 431 
XNF C35 C36  doub Y N 432 
XNF C36 S37  sing N N 433 
XNF S37 O38  doub N N 434 
XNF S37 N39  sing N N 435 
XNF S37 O40  doub N N 436 
XNF C36 C41  sing Y N 437 
XNF C41 C42  doub Y N 438 
XNF C31 C8   sing Y N 439 
XNF C29 C20  sing Y N 440 
XNF C42 C33  sing Y N 441 
XNF C4  H4C  sing N N 442 
XNF C4  H4A  sing N N 443 
XNF C4  H4B  sing N N 444 
XNF C6  H6C  sing N N 445 
XNF C6  H6B  sing N N 446 
XNF C6  H6A  sing N N 447 
XNF C7  H7   sing N N 448 
XNF C9  H9   sing N N 449 
XNF C10 H10  sing N N 450 
XNF C12 H12  sing N N 451 
XNF C15 H15A sing N N 452 
XNF C15 H15C sing N N 453 
XNF C15 H15B sing N N 454 
XNF C17 H17C sing N N 455 
XNF C17 H17B sing N N 456 
XNF C17 H17A sing N N 457 
XNF N19 H19  sing N N 458 
XNF C21 H21  sing N N 459 
XNF C22 H22  sing N N 460 
XNF N26 H26A sing N N 461 
XNF N26 H26B sing N N 462 
XNF C28 H28  sing N N 463 
XNF C29 H29  sing N N 464 
XNF C30 H30  sing N N 465 
XNF C31 H31  sing N N 466 
XNF N32 H32  sing N N 467 
XNF C34 H34  sing N N 468 
XNF C35 H35  sing N N 469 
XNF N39 H39A sing N N 470 
XNF N39 H39B sing N N 471 
XNF C41 H41  sing N N 472 
XNF C42 H42  sing N N 473 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   4FIK 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8R2F 
_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]   0.023499 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.006063 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.024018 
_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]   0.014241 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C  6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
H  1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N  7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O  8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
P  15 15 6.435  1.907  4.179 27.157 1.780 0.526  1.491 68.164 1.273   
S  16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.056   
ZN 30 30 14.082 3.266  7.036 0.233  5.165 10.316 2.411 58.710 0.909   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
ATOM   1    N  N   . HIS A 1 3   ? 13.728  -0.284  6.664   1.000 36.161  ? 3   HIS AAA N   1 ? 
ATOM   2    C  CA  . HIS A 1 3   ? 13.414  -1.254  7.782   1.000 42.504  ? 3   HIS AAA CA  1 ? 
ATOM   3    C  C   . HIS A 1 3   ? 12.345  -0.673  8.732   1.000 42.106  ? 3   HIS AAA C   1 ? 
ATOM   4    O  O   . HIS A 1 3   ? 12.684  -0.403  9.954   1.000 48.850  ? 3   HIS AAA O   1 ? 
ATOM   5    C  CB  . HIS A 1 3   ? 14.679  -1.605  8.574   1.000 44.754  ? 3   HIS AAA CB  1 ? 
ATOM   6    C  CG  . HIS A 1 3   ? 14.446  -2.672  9.596   1.000 34.700  ? 3   HIS AAA CG  1 ? 
ATOM   7    N  ND1 . HIS A 1 3   ? 14.757  -4.017  9.328   1.000 37.358  ? 3   HIS AAA ND1 1 ? 
ATOM   8    C  CD2 . HIS A 1 3   ? 13.963  -2.619  10.875  1.000 51.607  ? 3   HIS AAA CD2 1 ? 
ATOM   9    C  CE1 . HIS A 1 3   ? 14.441  -4.743  10.393  1.000 48.524  ? 3   HIS AAA CE1 1 ? 
ATOM   10   N  NE2 . HIS A 1 3   ? 13.959  -3.910  11.356  1.000 53.907  ? 3   HIS AAA NE2 1 ? 
ATOM   11   N  N   . HIS A 1 4   ? 11.127  -0.445  8.213   1.000 30.621  ? 4   HIS AAA N   1 ? 
ATOM   12   C  CA  . HIS A 1 4   ? 9.987   0.128   8.997   1.000 28.460  ? 4   HIS AAA CA  1 ? 
ATOM   13   C  C   . HIS A 1 4   ? 9.215   -1.009  9.664   1.000 26.007  ? 4   HIS AAA C   1 ? 
ATOM   14   O  O   . HIS A 1 4   ? 9.392   -2.197  9.365   1.000 23.772  ? 4   HIS AAA O   1 ? 
ATOM   15   C  CB  . HIS A 1 4   ? 9.099   1.062   8.172   1.000 38.464  ? 4   HIS AAA CB  1 ? 
ATOM   16   C  CG  . HIS A 1 4   ? 8.633   2.273   8.937   1.000 64.585  ? 4   HIS AAA CG  1 ? 
ATOM   17   N  ND1 . HIS A 1 4   ? 7.868   3.279   8.347   1.000 80.210  ? 4   HIS AAA ND1 1 ? 
ATOM   18   C  CD2 . HIS A 1 4   ? 8.809   2.663   10.235  1.000 61.587  ? 4   HIS AAA CD2 1 ? 
ATOM   19   C  CE1 . HIS A 1 4   ? 7.614   4.231   9.236   1.000 91.019  ? 4   HIS AAA CE1 1 ? 
ATOM   20   N  NE2 . HIS A 1 4   ? 8.190   3.882   10.404  1.000 83.113  ? 4   HIS AAA NE2 1 ? 
ATOM   21   N  N   . TRP A 1 5   ? 8.330   -0.610  10.543  1.000 18.545  ? 5   TRP AAA N   1 ? 
ATOM   22   C  CA  . TRP A 1 5   ? 7.633   -1.562  11.418  1.000 14.950  ? 5   TRP AAA CA  1 ? 
ATOM   23   C  C   . TRP A 1 5   ? 6.632   -2.390  10.612  1.000 12.209  ? 5   TRP AAA C   1 ? 
ATOM   24   O  O   . TRP A 1 5   ? 6.074   -1.910  9.613   1.000 14.891  ? 5   TRP AAA O   1 ? 
ATOM   25   C  CB  . TRP A 1 5   ? 6.953   -0.818  12.564  1.000 13.344  ? 5   TRP AAA CB  1 ? 
ATOM   26   C  CG  . TRP A 1 5   ? 5.739   -0.049  12.207  1.000 12.644  ? 5   TRP AAA CG  1 ? 
ATOM   27   C  CD1 . TRP A 1 5   ? 5.652   1.270   11.869  1.000 14.699  ? 5   TRP AAA CD1 1 ? 
ATOM   28   C  CD2 . TRP A 1 5   ? 4.390   -0.541  12.165  1.000 11.085  ? 5   TRP AAA CD2 1 ? 
ATOM   29   N  NE1 . TRP A 1 5   ? 4.360   1.622   11.646  1.000 15.413  ? 5   TRP AAA NE1 1 ? 
ATOM   30   C  CE2 . TRP A 1 5   ? 3.551   0.533   11.804  1.000 12.792  ? 5   TRP AAA CE2 1 ? 
ATOM   31   C  CE3 . TRP A 1 5   ? 3.810   -1.777  12.410  1.000 10.118  ? 5   TRP AAA CE3 1 ? 
ATOM   32   C  CZ2 . TRP A 1 5   ? 2.173   0.423   11.677  1.000 13.784  ? 5   TRP AAA CZ2 1 ? 
ATOM   33   C  CZ3 . TRP A 1 5   ? 2.462   -1.891  12.310  1.000 11.525  ? 5   TRP AAA CZ3 1 ? 
ATOM   34   C  CH2 . TRP A 1 5   ? 1.658   -0.808  11.957  1.000 12.576  ? 5   TRP AAA CH2 1 ? 
ATOM   35   N  N   . GLY A 1 6   ? 6.369   -3.582  11.108  1.000 11.946  ? 6   GLY AAA N   1 ? 
ATOM   36   C  CA  . GLY A 1 6   ? 5.310   -4.431  10.555  1.000 12.087  ? 6   GLY AAA CA  1 ? 
ATOM   37   C  C   . GLY A 1 6   ? 5.049   -5.592  11.469  1.000 10.770  ? 6   GLY AAA C   1 ? 
ATOM   38   O  O   . GLY A 1 6   ? 5.051   -5.431  12.697  1.000 12.005  ? 6   GLY AAA O   1 ? 
ATOM   39   N  N   . TYR A 1 7   ? 4.721   -6.722  10.860  1.000 11.595  ? 7   TYR AAA N   1 ? 
ATOM   40   C  CA  . TYR A 1 7   ? 4.296   -7.939  11.574  1.000 12.533  ? 7   TYR AAA CA  1 ? 
ATOM   41   C  C   . TYR A 1 7   ? 5.104   -9.160  11.176  1.000 19.986  ? 7   TYR AAA C   1 ? 
ATOM   42   O  O   . TYR A 1 7   ? 4.751   -10.263 11.502  1.000 28.498  ? 7   TYR AAA O   1 ? 
ATOM   43   C  CB  . TYR A 1 7   ? 2.806   -8.213  11.347  1.000 11.662  ? 7   TYR AAA CB  1 ? 
ATOM   44   C  CG  . TYR A 1 7   ? 1.904   -7.149  11.906  1.000 9.590   ? 7   TYR AAA CG  1 ? 
ATOM   45   C  CD1 . TYR A 1 7   ? 1.566   -7.128  13.254  1.000 10.782  ? 7   TYR AAA CD1 1 ? 
ATOM   46   C  CD2 . TYR A 1 7   ? 1.438   -6.116  11.113  1.000 10.102  ? 7   TYR AAA CD2 1 ? 
ATOM   47   C  CE1 . TYR A 1 7   ? 0.751   -6.125  13.769  1.000 8.305   ? 7   TYR AAA CE1 1 ? 
ATOM   48   C  CE2 . TYR A 1 7   ? 0.593   -5.163  11.618  1.000 9.632   ? 7   TYR AAA CE2 1 ? 
ATOM   49   C  CZ  . TYR A 1 7   ? 0.251   -5.152  12.952  1.000 9.074   ? 7   TYR AAA CZ  1 ? 
ATOM   50   O  OH  . TYR A 1 7   ? -0.619  -4.186  13.420  1.000 10.430  ? 7   TYR AAA OH  1 ? 
ATOM   51   N  N   . GLY A 1 8   ? 6.269   -8.972  10.564  1.000 19.693  ? 8   GLY AAA N   1 ? 
ATOM   52   C  CA  . GLY A 1 8   ? 7.248   -10.043 10.228  1.000 25.494  ? 8   GLY AAA CA  1 ? 
ATOM   53   C  C   . GLY A 1 8   ? 8.177   -10.440 11.379  1.000 32.368  ? 8   GLY AAA C   1 ? 
ATOM   54   O  O   . GLY A 1 8   ? 8.269   -9.695  12.366  1.000 27.828  ? 8   GLY AAA O   1 ? 
ATOM   55   N  N   . LYS A 1 9   ? 9.031   -11.458 11.189  1.000 35.087  ? 9   LYS AAA N   1 ? 
ATOM   56   C  CA  . LYS A 1 9   ? 10.044  -11.893 12.207  1.000 44.015  ? 9   LYS AAA CA  1 ? 
ATOM   57   C  C   . LYS A 1 9   ? 10.997  -10.728 12.472  1.000 36.670  ? 9   LYS AAA C   1 ? 
ATOM   58   O  O   . LYS A 1 9   ? 11.456  -10.480 13.642  1.000 30.691  ? 9   LYS AAA O   1 ? 
ATOM   59   C  CB  . LYS A 1 9   ? 10.876  -13.098 11.743  1.000 48.778  ? 9   LYS AAA CB  1 ? 
ATOM   60   C  CG  . LYS A 1 9   ? 10.670  -13.541 10.298  1.000 55.085  ? 9   LYS AAA CG  1 ? 
ATOM   61   N  N   . HIS A 1 10  ? 11.276  -9.954  11.443  1.000 24.013  ? 10  HIS AAA N   1 ? 
ATOM   62   C  CA  . HIS A 1 10  ? 12.355  -8.987  11.611  1.000 23.622  ? 10  HIS AAA CA  1 ? 
ATOM   63   C  C   . HIS A 1 10  ? 11.849  -7.620  11.990  1.000 20.112  ? 10  HIS AAA C   1 ? 
ATOM   64   O  O   . HIS A 1 10  ? 12.628  -6.854  12.458  1.000 22.033  ? 10  HIS AAA O   1 ? 
ATOM   65   C  CB  . HIS A 1 10  ? 13.268  -8.962  10.383  1.000 24.847  ? 10  HIS AAA CB  1 ? 
ATOM   66   C  CG  . HIS A 1 10  ? 13.838  -10.332 10.117  1.000 32.534  ? 10  HIS AAA CG  1 ? 
ATOM   67   N  ND1 . HIS A 1 10  ? 14.878  -10.870 10.883  1.000 34.936  ? 10  HIS AAA ND1 1 ? 
ATOM   68   C  CD2 . HIS A 1 10  ? 13.491  -11.301 9.224   1.000 27.318  ? 10  HIS AAA CD2 1 ? 
ATOM   69   C  CE1 . HIS A 1 10  ? 15.154  -12.097 10.470  1.000 33.973  ? 10  HIS AAA CE1 1 ? 
ATOM   70   N  NE2 . HIS A 1 10  ? 14.320  -12.393 9.456   1.000 36.724  ? 10  HIS AAA NE2 1 ? 
ATOM   71   N  N   . ASN A 1 11  ? 10.534  -7.347  11.936  1.000 19.128  ? 11  ASN AAA N   1 ? 
ATOM   72   C  CA  . ASN A 1 11  ? 10.048  -5.967  12.173  1.000 16.667  ? 11  ASN AAA CA  1 ? 
ATOM   73   C  C   . ASN A 1 11  ? 8.733   -5.963  12.972  1.000 16.305  ? 11  ASN AAA C   1 ? 
ATOM   74   O  O   . ASN A 1 11  ? 8.152   -4.897  13.070  1.000 14.873  ? 11  ASN AAA O   1 ? 
ATOM   75   C  CB  . ASN A 1 11  ? 9.860   -5.264  10.839  1.000 15.876  ? 11  ASN AAA CB  1 ? 
ATOM   76   C  CG  . ASN A 1 11  ? 8.735   -5.851  10.022  1.000 14.963  ? 11  ASN AAA CG  1 ? 
ATOM   77   O  OD1 . ASN A 1 11  ? 8.207   -6.899  10.376  1.000 17.727  ? 11  ASN AAA OD1 1 ? 
ATOM   78   N  ND2 . ASN A 1 11  ? 8.445   -5.236  8.878   1.000 17.010  ? 11  ASN AAA ND2 1 ? 
ATOM   79   N  N   . GLY A 1 12  ? 8.450   -7.087  13.616  1.000 15.275  ? 12  GLY AAA N   1 ? 
ATOM   80   C  CA  . GLY A 1 12  ? 7.203   -7.343  14.334  1.000 14.353  ? 12  GLY AAA CA  1 ? 
ATOM   81   C  C   . GLY A 1 12  ? 7.152   -6.697  15.720  1.000 13.545  ? 12  GLY AAA C   1 ? 
ATOM   82   O  O   . GLY A 1 12  ? 8.092   -6.010  16.172  1.000 14.165  ? 12  GLY AAA O   1 ? 
ATOM   83   N  N   . PRO A 1 13  ? 6.064   -6.966  16.453  1.000 11.330  ? 13  PRO AAA N   1 ? 
ATOM   84   C  CA  . PRO A 1 13  ? 5.789   -6.326  17.753  1.000 11.563  ? 13  PRO AAA CA  1 ? 
ATOM   85   C  C   . PRO A 1 13  ? 6.995   -6.346  18.721  1.000 11.173  ? 13  PRO AAA C   1 ? 
ATOM   86   O  O   . PRO A 1 13  ? 7.089   -5.450  19.534  1.000 11.400  ? 13  PRO AAA O   1 ? 
ATOM   87   C  CB  . PRO A 1 13  ? 4.612   -7.151  18.273  1.000 11.984  ? 13  PRO AAA CB  1 ? 
ATOM   88   C  CG  . PRO A 1 13  ? 3.830   -7.447  16.995  1.000 13.137  ? 13  PRO AAA CG  1 ? 
ATOM   89   C  CD  . PRO A 1 13  ? 4.882   -7.721  15.949  1.000 12.270  ? 13  PRO AAA CD  1 ? 
ATOM   90   N  N   . GLU A 1 14  ? 7.785   -7.411  18.735  1.000 13.617  ? 14  GLU AAA N   1 ? 
ATOM   91   C  CA  . GLU A 1 14  ? 8.936   -7.521  19.699  1.000 15.192  ? 14  GLU AAA CA  1 ? 
ATOM   92   C  C   . GLU A 1 14  ? 10.030  -6.493  19.384  1.000 13.982  ? 14  GLU AAA C   1 ? 
ATOM   93   O  O   . GLU A 1 14  ? 10.938  -6.300  20.238  1.000 16.359  ? 14  GLU AAA O   1 ? 
ATOM   94   C  CB  . GLU A 1 14  ? 9.425   -8.963  19.758  1.000 21.168  ? 14  GLU AAA CB  1 ? 
ATOM   95   C  CG  . GLU A 1 14  ? 8.341   -9.958  20.239  1.000 31.206  ? 14  GLU AAA CG  1 ? 
ATOM   96   C  CD  . GLU A 1 14  ? 7.359   -9.596  21.393  1.000 36.263  ? 14  GLU AAA CD  1 ? 
ATOM   97   O  OE1 . GLU A 1 14  ? 7.870   -9.538  22.535  1.000 57.468  ? 14  GLU AAA OE1 1 ? 
ATOM   98   O  OE2 . GLU A 1 14  ? 6.027   -9.452  21.194  1.000 38.031  ? 14  GLU AAA OE2 1 ? 
ATOM   99   N  N   . HIS A 1 15  ? 10.024  -5.924  18.181  1.000 13.162  ? 15  HIS AAA N   1 ? 
ATOM   100  C  CA  . HIS A 1 15  ? 11.019  -4.946  17.693  1.000 13.491  ? 15  HIS AAA CA  1 ? 
ATOM   101  C  C   . HIS A 1 15  ? 10.579  -3.501  17.899  1.000 12.851  ? 15  HIS AAA C   1 ? 
ATOM   102  O  O   . HIS A 1 15  ? 11.397  -2.570  17.842  1.000 14.548  ? 15  HIS AAA O   1 ? 
ATOM   103  C  CB  . HIS A 1 15  ? 11.345  -5.178  16.218  1.000 14.531  ? 15  HIS AAA CB  1 ? 
ATOM   104  C  CG  . HIS A 1 15  ? 12.083  -6.463  15.967  1.000 18.276  ? 15  HIS AAA CG  1 ? 
ATOM   105  N  ND1 . HIS A 1 15  ? 13.489  -6.539  16.065  1.000 25.226  ? 15  HIS AAA ND1 1 ? 
ATOM   106  C  CD2 . HIS A 1 15  ? 11.630  -7.691  15.614  1.000 22.006  ? 15  HIS AAA CD2 1 ? 
ATOM   107  C  CE1 . HIS A 1 15  ? 13.856  -7.775  15.782  1.000 35.771  ? 15  HIS AAA CE1 1 ? 
ATOM   108  N  NE2 . HIS A 1 15  ? 12.737  -8.506  15.528  1.000 28.358  ? 15  HIS AAA NE2 1 ? 
ATOM   109  N  N   . TRP A 1 16  ? 9.249   -3.272  18.093  1.000 12.153  ? 16  TRP AAA N   1 ? 
ATOM   110  C  CA  . TRP A 1 16  ? 8.698   -1.898  17.949  1.000 11.164  ? 16  TRP AAA CA  1 ? 
ATOM   111  C  C   . TRP A 1 16  ? 9.303   -0.934  18.988  1.000 12.196  ? 16  TRP AAA C   1 ? 
ATOM   112  O  O   . TRP A 1 16  ? 9.384   0.227   18.725  1.000 13.721  ? 16  TRP AAA O   1 ? 
ATOM   113  C  CB  . TRP A 1 16  ? 7.164   -1.956  18.089  1.000 11.113  ? 16  TRP AAA CB  1 ? 
ATOM   114  C  CG  . TRP A 1 16  ? 6.476   -2.672  16.978  1.000 10.140  ? 16  TRP AAA CG  1 ? 
ATOM   115  C  CD1 . TRP A 1 16  ? 6.960   -3.073  15.771  1.000 10.887  ? 16  TRP AAA CD1 1 ? 
ATOM   116  C  CD2 . TRP A 1 16  ? 5.059   -2.971  16.930  1.000 10.730  ? 16  TRP AAA CD2 1 ? 
ATOM   117  N  NE1 . TRP A 1 16  ? 5.986   -3.670  15.005  1.000 12.298  ? 16  TRP AAA NE1 1 ? 
ATOM   118  C  CE2 . TRP A 1 16  ? 4.802   -3.579  15.705  1.000 10.888  ? 16  TRP AAA CE2 1 ? 
ATOM   119  C  CE3 . TRP A 1 16  ? 4.018   -2.780  17.850  1.000 10.874  ? 16  TRP AAA CE3 1 ? 
ATOM   120  C  CZ2 . TRP A 1 16  ? 3.514   -4.024  15.354  1.000 10.037  ? 16  TRP AAA CZ2 1 ? 
ATOM   121  C  CZ3 . TRP A 1 16  ? 2.739   -3.212  17.508  1.000 12.056  ? 16  TRP AAA CZ3 1 ? 
ATOM   122  C  CH2 . TRP A 1 16  ? 2.503   -3.794  16.266  1.000 11.037  ? 16  TRP AAA CH2 1 ? 
ATOM   123  N  N   . HIS A 1 17  ? 9.675   -1.463  20.160  1.000 10.626  ? 17  HIS AAA N   1 ? 
ATOM   124  C  CA  . HIS A 1 17  ? 10.193  -0.640  21.268  1.000 11.772  ? 17  HIS AAA CA  1 ? 
ATOM   125  C  C   . HIS A 1 17  ? 11.479  0.129   20.898  1.000 14.569  ? 17  HIS AAA C   1 ? 
ATOM   126  O  O   . HIS A 1 17  ? 11.681  1.172   21.417  1.000 15.141  ? 17  HIS AAA O   1 ? 
ATOM   127  C  CB  . HIS A 1 17  ? 10.489  -1.458  22.499  1.000 13.751  ? 17  HIS AAA CB  1 ? 
ATOM   128  C  CG  . HIS A 1 17  ? 11.695  -2.323  22.392  1.000 12.876  ? 17  HIS AAA CG  1 ? 
ATOM   129  N  ND1 . HIS A 1 17  ? 12.922  -1.941  22.931  1.000 17.552  ? 17  HIS AAA ND1 1 ? 
ATOM   130  C  CD2 . HIS A 1 17  ? 11.820  -3.489  21.755  1.000 13.849  ? 17  HIS AAA CD2 1 ? 
ATOM   131  C  CE1 . HIS A 1 17  ? 13.765  -2.917  22.652  1.000 19.581  ? 17  HIS AAA CE1 1 ? 
ATOM   132  N  NE2 . HIS A 1 17  ? 13.165  -3.845  21.913  1.000 17.450  ? 17  HIS AAA NE2 1 ? 
ATOM   133  N  N   . LYS A 1 18  ? 12.142  -0.341  19.877  1.000 13.399  ? 18  LYS AAA N   1 ? 
ATOM   134  C  CA  . LYS A 1 18  ? 13.414  0.360   19.507  1.000 17.080  ? 18  LYS AAA CA  1 ? 
ATOM   135  C  C   . LYS A 1 18  ? 13.144  1.716   18.855  1.000 16.346  ? 18  LYS AAA C   1 ? 
ATOM   136  O  O   . LYS A 1 18  ? 13.810  2.729   19.114  1.000 20.670  ? 18  LYS AAA O   1 ? 
ATOM   137  C  CB  . LYS A 1 18  ? 14.259  -0.526  18.581  1.000 17.443  ? 18  LYS AAA CB  1 ? 
ATOM   138  C  CG  . LYS A 1 18  ? 14.860  -1.734  19.278  1.000 17.864  ? 18  LYS AAA CG  1 ? 
ATOM   139  C  CD  . LYS A 1 18  ? 15.650  -2.632  18.326  1.000 18.210  ? 18  LYS AAA CD  1 ? 
ATOM   140  C  CE  . LYS A 1 18  ? 14.679  -3.618  17.675  1.000 16.396  ? 18  LYS AAA CE  1 ? 
ATOM   141  N  NZ  . LYS A 1 18  ? 15.332  -4.430  16.615  1.000 19.509  ? 18  LYS AAA NZ  1 ? 
ATOM   142  N  N   . ASP A 1 19  ? 12.118  1.782   17.992  1.000 15.960  ? 19  ASP AAA N   1 ? 
ATOM   143  C  CA  . ASP A 1 19  ? 11.719  3.081   17.408  1.000 14.410  ? 19  ASP AAA CA  1 ? 
ATOM   144  C  C   . ASP A 1 19  ? 10.619  3.794   18.202  1.000 13.524  ? 19  ASP AAA C   1 ? 
ATOM   145  O  O   . ASP A 1 19  ? 10.513  4.999   18.086  1.000 15.636  ? 19  ASP AAA O   1 ? 
ATOM   146  C  CB  . ASP A 1 19  ? 11.301  2.945   15.959  1.000 20.429  ? 19  ASP AAA CB  1 ? 
ATOM   147  C  CG  . ASP A 1 19  ? 12.442  2.947   14.944  1.000 27.253  ? 19  ASP AAA CG  1 ? 
ATOM   148  O  OD1 . ASP A 1 19  ? 13.486  3.513   15.223  1.000 33.558  ? 19  ASP AAA OD1 1 ? 
ATOM   149  O  OD2 . ASP A 1 19  ? 12.270  2.388   13.938  1.000 36.550  ? 19  ASP AAA OD2 1 ? 
ATOM   150  N  N   . PHE A 1 20  ? 9.917   3.060   19.058  1.000 12.065  ? 20  PHE AAA N   1 ? 
ATOM   151  C  CA  . PHE A 1 20  ? 8.749   3.593   19.790  1.000 12.586  ? 20  PHE AAA CA  1 ? 
ATOM   152  C  C   . PHE A 1 20  ? 8.822   3.088   21.225  1.000 12.562  ? 20  PHE AAA C   1 ? 
ATOM   153  O  O   . PHE A 1 20  ? 8.217   2.095   21.614  1.000 12.140  ? 20  PHE AAA O   1 ? 
ATOM   154  C  CB  . PHE A 1 20  ? 7.415   3.106   19.170  1.000 14.445  ? 20  PHE AAA CB  1 ? 
ATOM   155  C  CG  . PHE A 1 20  ? 7.314   3.476   17.714  1.000 15.508  ? 20  PHE AAA CG  1 ? 
ATOM   156  C  CD1 . PHE A 1 20  ? 6.927   4.808   17.365  1.000 15.476  ? 20  PHE AAA CD1 1 ? 
ATOM   157  C  CD2 . PHE A 1 20  ? 7.729   2.639   16.677  1.000 13.833  ? 20  PHE AAA CD2 1 ? 
ATOM   158  C  CE1 . PHE A 1 20  ? 6.890   5.218   16.037  1.000 16.803  ? 20  PHE AAA CE1 1 ? 
ATOM   159  C  CE2 . PHE A 1 20  ? 7.700   3.030   15.364  1.000 15.042  ? 20  PHE AAA CE2 1 ? 
ATOM   160  C  CZ  . PHE A 1 20  ? 7.267   4.336   15.049  1.000 17.369  ? 20  PHE AAA CZ  1 ? 
ATOM   161  N  N   . PRO A 1 21  ? 9.691   3.714   22.056  1.000 13.593  ? 21  PRO AAA N   1 ? 
ATOM   162  C  CA  . PRO A 1 21  ? 9.931   3.186   23.406  1.000 14.550  ? 21  PRO AAA CA  1 ? 
ATOM   163  C  C   . PRO A 1 21  ? 8.689   3.105   24.305  1.000 13.056  ? 21  PRO AAA C   1 ? 
ATOM   164  O  O   . PRO A 1 21  ? 8.686   2.378   25.258  1.000 15.360  ? 21  PRO AAA O   1 ? 
ATOM   165  C  CB  . PRO A 1 21  ? 10.988  4.154   23.964  1.000 16.773  ? 21  PRO AAA CB  1 ? 
ATOM   166  C  CG  . PRO A 1 21  ? 10.917  5.334   23.062  1.000 21.714  ? 21  PRO AAA CG  1 ? 
ATOM   167  C  CD  . PRO A 1 21  ? 10.578  4.836   21.673  1.000 16.232  ? 21  PRO AAA CD  1 ? 
ATOM   168  N  N   . ILE A 1 22  ? 7.653   3.898   23.968  1.000 12.577  ? 22  ILE AAA N   1 ? 
ATOM   169  C  CA  A ILE A 1 22  ? 6.335   3.810   24.692  0.670 11.705  ? 22  ILE AAA CA  1 ? 
ATOM   170  C  CA  B ILE A 1 22  ? 6.333   3.817   24.678  0.330 12.480  ? 22  ILE AAA CA  1 ? 
ATOM   171  C  C   . ILE A 1 22  ? 5.771   2.389   24.542  1.000 10.936  ? 22  ILE AAA C   1 ? 
ATOM   172  O  O   . ILE A 1 22  ? 4.869   2.030   25.315  1.000 12.186  ? 22  ILE AAA O   1 ? 
ATOM   173  C  CB  A ILE A 1 22  ? 5.359   4.891   24.204  0.670 12.239  ? 22  ILE AAA CB  1 ? 
ATOM   174  C  CB  B ILE A 1 22  ? 5.363   4.903   24.163  0.330 12.968  ? 22  ILE AAA CB  1 ? 
ATOM   175  C  CG1 A ILE A 1 22  ? 4.254   5.194   25.230  0.670 13.616  ? 22  ILE AAA CG1 1 ? 
ATOM   176  C  CG1 B ILE A 1 22  ? 4.290   5.281   25.195  0.330 14.478  ? 22  ILE AAA CG1 1 ? 
ATOM   177  C  CG2 A ILE A 1 22  ? 4.763   4.495   22.842  0.670 11.442  ? 22  ILE AAA CG2 1 ? 
ATOM   178  C  CG2 B ILE A 1 22  ? 4.737   4.484   22.831  0.330 14.158  ? 22  ILE AAA CG2 1 ? 
ATOM   179  C  CD1 A ILE A 1 22  ? 3.426   6.359   24.884  0.670 14.299  ? 22  ILE AAA CD1 1 ? 
ATOM   180  C  CD1 B ILE A 1 22  ? 4.834   5.550   26.582  0.330 13.778  ? 22  ILE AAA CD1 1 ? 
ATOM   181  N  N   . ALA A 1 23  ? 6.257   1.576   23.617  1.000 11.763  ? 23  ALA AAA N   1 ? 
ATOM   182  C  CA  . ALA A 1 23  ? 5.828   0.167   23.540  1.000 10.845  ? 23  ALA AAA CA  1 ? 
ATOM   183  C  C   . ALA A 1 23  ? 5.897   -0.520  24.896  1.000 11.097  ? 23  ALA AAA C   1 ? 
ATOM   184  O  O   . ALA A 1 23  ? 5.202   -1.528  25.079  1.000 11.383  ? 23  ALA AAA O   1 ? 
ATOM   185  C  CB  . ALA A 1 23  ? 6.671   -0.585  22.519  1.000 10.674  ? 23  ALA AAA CB  1 ? 
ATOM   186  N  N   . LYS A 1 24  ? 6.843   -0.128  25.765  1.000 12.728  ? 24  LYS AAA N   1 ? 
ATOM   187  C  CA  . LYS A 1 24  ? 6.989   -0.731  27.092  1.000 14.643  ? 24  LYS AAA CA  1 ? 
ATOM   188  C  C   . LYS A 1 24  ? 6.389   0.179   28.167  1.000 14.357  ? 24  LYS AAA C   1 ? 
ATOM   189  O  O   . LYS A 1 24  ? 6.750   0.069   29.301  1.000 16.015  ? 24  LYS AAA O   1 ? 
ATOM   190  C  CB  . LYS A 1 24  ? 8.441   -1.010  27.396  1.000 16.085  ? 24  LYS AAA CB  1 ? 
ATOM   191  C  CG  . LYS A 1 24  ? 9.084   -1.992  26.439  1.000 18.929  ? 24  LYS AAA CG  1 ? 
ATOM   192  C  CD  . LYS A 1 24  ? 10.493  -2.186  26.908  1.000 23.686  ? 24  LYS AAA CD  1 ? 
ATOM   193  C  CE  . LYS A 1 24  ? 11.137  -3.550  26.770  1.000 40.539  ? 24  LYS AAA CE  1 ? 
ATOM   194  N  NZ  . LYS A 1 24  ? 10.908  -4.086  25.419  1.000 42.182  ? 24  LYS AAA NZ  1 ? 
ATOM   195  N  N   . GLY A 1 25  ? 5.379   0.963   27.809  1.000 14.883  ? 25  GLY AAA N   1 ? 
ATOM   196  C  CA  . GLY A 1 25  ? 4.747   1.955   28.701  1.000 15.227  ? 25  GLY AAA CA  1 ? 
ATOM   197  C  C   . GLY A 1 25  ? 3.772   1.347   29.713  1.000 12.912  ? 25  GLY AAA C   1 ? 
ATOM   198  O  O   . GLY A 1 25  ? 3.607   0.087   29.786  1.000 13.895  ? 25  GLY AAA O   1 ? 
ATOM   199  N  N   . GLU A 1 26  ? 3.095   2.229   30.425  1.000 13.681  ? 26  GLU AAA N   1 ? 
ATOM   200  C  CA  . GLU A 1 26  ? 2.221   1.841   31.543  1.000 13.451  ? 26  GLU AAA CA  1 ? 
ATOM   201  C  C   . GLU A 1 26  ? 0.776   1.594   31.126  1.000 12.198  ? 26  GLU AAA C   1 ? 
ATOM   202  O  O   . GLU A 1 26  ? 0.020   1.105   31.968  1.000 13.568  ? 26  GLU AAA O   1 ? 
ATOM   203  C  CB  . GLU A 1 26  ? 2.280   2.961   32.594  1.000 15.978  ? 26  GLU AAA CB  1 ? 
ATOM   204  C  CG  . GLU A 1 26  ? 3.676   3.154   33.180  1.000 20.937  ? 26  GLU AAA CG  1 ? 
ATOM   205  C  CD  . GLU A 1 26  ? 4.344   1.902   33.720  1.000 28.760  ? 26  GLU AAA CD  1 ? 
ATOM   206  O  OE1 . GLU A 1 26  ? 3.751   1.260   34.613  1.000 32.799  ? 26  GLU AAA OE1 1 ? 
ATOM   207  O  OE2 . GLU A 1 26  ? 5.461   1.570   33.260  1.000 37.054  ? 26  GLU AAA OE2 1 ? 
ATOM   208  N  N   . ARG A 1 27  ? 0.417   1.931   29.908  1.000 9.850   ? 27  ARG AAA N   1 ? 
ATOM   209  C  CA  A ARG A 1 27  ? -0.991  1.801   29.483  0.500 8.339   ? 27  ARG AAA CA  1 ? 
ATOM   210  C  CA  B ARG A 1 27  ? -0.984  1.653   29.519  0.500 10.617  ? 27  ARG AAA CA  1 ? 
ATOM   211  C  C   . ARG A 1 27  ? -1.042  1.301   28.037  1.000 8.711   ? 27  ARG AAA C   1 ? 
ATOM   212  O  O   . ARG A 1 27  ? -1.818  1.863   27.248  1.000 9.593   ? 27  ARG AAA O   1 ? 
ATOM   213  C  CB  A ARG A 1 27  ? -1.825  3.062   29.748  0.500 10.578  ? 27  ARG AAA CB  1 ? 
ATOM   214  C  CB  B ARG A 1 27  ? -1.955  2.726   29.983  0.500 17.328  ? 27  ARG AAA CB  1 ? 
ATOM   215  C  CG  A ARG A 1 27  ? -1.500  4.357   29.051  0.500 12.207  ? 27  ARG AAA CG  1 ? 
ATOM   216  C  CG  B ARG A 1 27  ? -1.522  4.155   29.795  0.500 19.682  ? 27  ARG AAA CG  1 ? 
ATOM   217  C  CD  A ARG A 1 27  ? -2.601  5.404   29.390  0.500 11.101  ? 27  ARG AAA CD  1 ? 
ATOM   218  C  CD  B ARG A 1 27  ? -2.749  4.911   30.222  0.500 25.288  ? 27  ARG AAA CD  1 ? 
ATOM   219  N  NE  A ARG A 1 27  ? -3.764  5.313   28.501  0.500 9.279   ? 27  ARG AAA NE  1 ? 
ATOM   220  N  NE  B ARG A 1 27  ? -2.711  6.343   30.197  0.500 23.122  ? 27  ARG AAA NE  1 ? 
ATOM   221  C  CZ  A ARG A 1 27  ? -4.684  6.212   28.498  0.500 8.196   ? 27  ARG AAA CZ  1 ? 
ATOM   222  C  CZ  B ARG A 1 27  ? -1.983  7.171   30.921  0.500 19.191  ? 27  ARG AAA CZ  1 ? 
ATOM   223  N  NH1 A ARG A 1 27  ? -4.648  7.222   29.367  0.500 9.189   ? 27  ARG AAA NH1 1 ? 
ATOM   224  N  NH1 B ARG A 1 27  ? -1.053  6.761   31.778  0.500 23.885  ? 27  ARG AAA NH1 1 ? 
ATOM   225  N  NH2 A ARG A 1 27  ? -5.675  6.146   27.661  0.500 8.671   ? 27  ARG AAA NH2 1 ? 
ATOM   226  N  NH2 B ARG A 1 27  ? -2.300  8.444   30.786  0.500 14.938  ? 27  ARG AAA NH2 1 ? 
ATOM   227  N  N   . GLN A 1 28  ? -0.347  0.200   27.760  1.000 9.360   ? 28  GLN AAA N   1 ? 
ATOM   228  C  CA  . GLN A 1 28  ? -0.338  -0.353  26.381  1.000 10.382  ? 28  GLN AAA CA  1 ? 
ATOM   229  C  C   . GLN A 1 28  ? -1.518  -1.301  26.121  1.000 8.183   ? 28  GLN AAA C   1 ? 
ATOM   230  O  O   . GLN A 1 28  ? -1.955  -1.950  27.050  1.000 9.169   ? 28  GLN AAA O   1 ? 
ATOM   231  C  CB  . GLN A 1 28  ? 1.035   -1.025  26.136  1.000 9.832   ? 28  GLN AAA CB  1 ? 
ATOM   232  C  CG  . GLN A 1 28  ? 2.175   0.031   26.049  1.000 12.019  ? 28  GLN AAA CG  1 ? 
ATOM   233  C  CD  . GLN A 1 28  ? 2.059   0.817   24.766  1.000 11.511  ? 28  GLN AAA CD  1 ? 
ATOM   234  O  OE1 . GLN A 1 28  ? 2.244   0.244   23.708  1.000 9.727   ? 28  GLN AAA OE1 1 ? 
ATOM   235  N  NE2 . GLN A 1 28  ? 1.715   2.118   24.836  1.000 12.119  ? 28  GLN AAA NE2 1 ? 
ATOM   236  N  N   . SER A 1 29  ? -1.842  -1.390  24.860  1.000 8.197   ? 29  SER AAA N   1 ? 
ATOM   237  C  CA  . SER A 1 29  ? -2.935  -2.244  24.393  1.000 8.555   ? 29  SER AAA CA  1 ? 
ATOM   238  C  C   . SER A 1 29  ? -2.430  -3.121  23.281  1.000 7.954   ? 29  SER AAA C   1 ? 
ATOM   239  O  O   . SER A 1 29  ? -1.431  -2.786  22.624  1.000 8.699   ? 29  SER AAA O   1 ? 
ATOM   240  C  CB  . SER A 1 29  ? -4.097  -1.397  23.850  1.000 8.000   ? 29  SER AAA CB  1 ? 
ATOM   241  O  OG  . SER A 1 29  ? -4.667  -0.645  24.912  1.000 8.846   ? 29  SER AAA OG  1 ? 
ATOM   242  N  N   . PRO A 1 30  ? -3.028  -4.272  23.030  1.000 7.668   ? 30  PRO AAA N   1 ? 
ATOM   243  C  CA  . PRO A 1 30  ? -4.212  -4.809  23.741  1.000 7.769   ? 30  PRO AAA CA  1 ? 
ATOM   244  C  C   . PRO A 1 30  ? -3.825  -5.452  25.050  1.000 8.253   ? 30  PRO AAA C   1 ? 
ATOM   245  O  O   . PRO A 1 30  ? -2.626  -5.511  25.406  1.000 8.879   ? 30  PRO AAA O   1 ? 
ATOM   246  C  CB  . PRO A 1 30  ? -4.741  -5.839  22.733  1.000 8.222   ? 30  PRO AAA CB  1 ? 
ATOM   247  C  CG  . PRO A 1 30  ? -3.443  -6.424  22.147  1.000 8.287   ? 30  PRO AAA CG  1 ? 
ATOM   248  C  CD  . PRO A 1 30  ? -2.568  -5.217  22.034  1.000 7.830   ? 30  PRO AAA CD  1 ? 
ATOM   249  N  N   . VAL A 1 31  ? -4.796  -5.995  25.763  1.000 8.210   ? 31  VAL AAA N   1 ? 
ATOM   250  C  CA  . VAL A 1 31  ? -4.646  -6.716  27.000  1.000 8.396   ? 31  VAL AAA CA  1 ? 
ATOM   251  C  C   . VAL A 1 31  ? -5.533  -7.960  26.965  1.000 7.893   ? 31  VAL AAA C   1 ? 
ATOM   252  O  O   . VAL A 1 31  ? -6.483  -8.037  26.166  1.000 8.600   ? 31  VAL AAA O   1 ? 
ATOM   253  C  CB  . VAL A 1 31  ? -4.951  -5.864  28.227  1.000 8.826   ? 31  VAL AAA CB  1 ? 
ATOM   254  C  CG1 . VAL A 1 31  ? -4.054  -4.646  28.271  1.000 9.555   ? 31  VAL AAA CG1 1 ? 
ATOM   255  C  CG2 . VAL A 1 31  ? -6.429  -5.454  28.289  1.000 9.899   ? 31  VAL AAA CG2 1 ? 
ATOM   256  N  N   . ASP A 1 32  ? -5.175  -8.919  27.810  1.000 8.549   ? 32  ASP AAA N   1 ? 
ATOM   257  C  CA  . ASP A 1 32  ? -6.094  -10.011 28.145  1.000 8.491   ? 32  ASP AAA CA  1 ? 
ATOM   258  C  C   . ASP A 1 32  ? -7.130  -9.497  29.137  1.000 8.863   ? 32  ASP AAA C   1 ? 
ATOM   259  O  O   . ASP A 1 32  ? -6.819  -8.807  30.081  1.000 10.616  ? 32  ASP AAA O   1 ? 
ATOM   260  C  CB  . ASP A 1 32  ? -5.367  -11.177 28.756  1.000 9.942   ? 32  ASP AAA CB  1 ? 
ATOM   261  C  CG  . ASP A 1 32  ? -6.290  -12.345 29.060  1.000 10.509  ? 32  ASP AAA CG  1 ? 
ATOM   262  O  OD1 . ASP A 1 32  ? -6.967  -12.821 28.086  1.000 11.008  ? 32  ASP AAA OD1 1 ? 
ATOM   263  O  OD2 . ASP A 1 32  ? -6.321  -12.772 30.256  1.000 13.286  ? 32  ASP AAA OD2 1 ? 
ATOM   264  N  N   . ILE A 1 33  ? -8.357  -9.827  28.840  1.000 8.989   ? 33  ILE AAA N   1 ? 
ATOM   265  C  CA  . ILE A 1 33  ? -9.533  -9.521  29.696  1.000 9.189   ? 33  ILE AAA CA  1 ? 
ATOM   266  C  C   . ILE A 1 33  ? -9.849  -10.728 30.547  1.000 9.664   ? 33  ILE AAA C   1 ? 
ATOM   267  O  O   . ILE A 1 33  ? -10.347 -11.761 30.019  1.000 11.043  ? 33  ILE AAA O   1 ? 
ATOM   268  C  CB  . ILE A 1 33  ? -10.711 -9.068  28.864  1.000 9.407   ? 33  ILE AAA CB  1 ? 
ATOM   269  C  CG1 . ILE A 1 33  ? -10.351 -7.856  28.030  1.000 10.215  ? 33  ILE AAA CG1 1 ? 
ATOM   270  C  CG2 . ILE A 1 33  ? -11.939 -8.835  29.748  1.000 11.196  ? 33  ILE AAA CG2 1 ? 
ATOM   271  C  CD1 . ILE A 1 33  ? -11.380 -7.551  26.935  1.000 11.821  ? 33  ILE AAA CD1 1 ? 
ATOM   272  N  N   . ASP A 1 34  ? -9.448  -10.672 31.804  1.000 11.083  ? 34  ASP AAA N   1 ? 
ATOM   273  C  CA  A ASP A 1 34  ? -9.740  -11.760 32.762  0.500 12.192  ? 34  ASP AAA CA  1 ? 
ATOM   274  C  CA  B ASP A 1 34  ? -9.743  -11.762 32.777  0.500 12.208  ? 34  ASP AAA CA  1 ? 
ATOM   275  C  C   . ASP A 1 34  ? -11.166 -11.525 33.270  1.000 11.559  ? 34  ASP AAA C   1 ? 
ATOM   276  O  O   . ASP A 1 34  ? -11.390 -10.583 34.061  1.000 13.841  ? 34  ASP AAA O   1 ? 
ATOM   277  C  CB  A ASP A 1 34  ? -8.626  -11.811 33.803  0.500 13.508  ? 34  ASP AAA CB  1 ? 
ATOM   278  C  CB  B ASP A 1 34  ? -8.721  -11.833 33.917  0.500 13.239  ? 34  ASP AAA CB  1 ? 
ATOM   279  C  CG  A ASP A 1 34  ? -8.728  -13.043 34.681  0.500 16.482  ? 34  ASP AAA CG  1 ? 
ATOM   280  C  CG  B ASP A 1 34  ? -8.978  -12.972 34.900  0.500 14.331  ? 34  ASP AAA CG  1 ? 
ATOM   281  O  OD1 A ASP A 1 34  ? -8.296  -14.122 34.220  0.500 16.239  ? 34  ASP AAA OD1 1 ? 
ATOM   282  O  OD1 B ASP A 1 34  ? -10.137 -13.477 34.929  0.500 14.856  ? 34  ASP AAA OD1 1 ? 
ATOM   283  O  OD2 A ASP A 1 34  ? -9.274  -12.908 35.798  0.500 21.918  ? 34  ASP AAA OD2 1 ? 
ATOM   284  O  OD2 B ASP A 1 34  ? -8.017  -13.363 35.607  0.500 19.266  ? 34  ASP AAA OD2 1 ? 
ATOM   285  N  N   . THR A 1 35  ? -12.104 -12.323 32.793  1.000 12.479  ? 35  THR AAA N   1 ? 
ATOM   286  C  CA  . THR A 1 35  ? -13.533 -12.114 33.090  1.000 15.585  ? 35  THR AAA CA  1 ? 
ATOM   287  C  C   . THR A 1 35  ? -13.864 -12.269 34.562  1.000 17.262  ? 35  THR AAA C   1 ? 
ATOM   288  O  O   . THR A 1 35  ? -14.870 -11.713 34.971  1.000 22.404  ? 35  THR AAA O   1 ? 
ATOM   289  C  CB  . THR A 1 35  ? -14.439 -13.038 32.274  1.000 15.501  ? 35  THR AAA CB  1 ? 
ATOM   290  O  OG1 . THR A 1 35  ? -14.201 -14.373 32.682  1.000 15.495  ? 35  THR AAA OG1 1 ? 
ATOM   291  C  CG2 . THR A 1 35  ? -14.203 -12.889 30.789  1.000 18.644  ? 35  THR AAA CG2 1 ? 
ATOM   292  N  N   . HIS A 1 36  ? -13.058 -12.999 35.311  1.000 15.147  ? 36  HIS AAA N   1 ? 
ATOM   293  C  CA  . HIS A 1 36  ? -13.225 -13.171 36.756  1.000 17.450  ? 36  HIS AAA CA  1 ? 
ATOM   294  C  C   . HIS A 1 36  ? -12.571 -12.078 37.601  1.000 21.716  ? 36  HIS AAA C   1 ? 
ATOM   295  O  O   . HIS A 1 36  ? -12.889 -12.010 38.768  1.000 35.790  ? 36  HIS AAA O   1 ? 
ATOM   296  C  CB  . HIS A 1 36  ? -12.704 -14.541 37.146  1.000 17.383  ? 36  HIS AAA CB  1 ? 
ATOM   297  C  CG  . HIS A 1 36  ? -13.495 -15.610 36.516  1.000 27.885  ? 36  HIS AAA CG  1 ? 
ATOM   298  N  ND1 . HIS A 1 36  ? -12.998 -16.347 35.459  1.000 31.281  ? 36  HIS AAA ND1 1 ? 
ATOM   299  C  CD2 . HIS A 1 36  ? -14.767 -16.031 36.747  1.000 33.149  ? 36  HIS AAA CD2 1 ? 
ATOM   300  C  CE1 . HIS A 1 36  ? -13.912 -17.225 35.095  1.000 36.300  ? 36  HIS AAA CE1 1 ? 
ATOM   301  N  NE2 . HIS A 1 36  ? -15.019 -17.040 35.873  1.000 35.838  ? 36  HIS AAA NE2 1 ? 
ATOM   302  N  N   . THR A 1 37  ? -11.786 -11.199 37.021  1.000 16.493  ? 37  THR AAA N   1 ? 
ATOM   303  C  CA  . THR A 1 37  ? -11.128 -10.057 37.722  1.000 18.940  ? 37  THR AAA CA  1 ? 
ATOM   304  C  C   . THR A 1 37  ? -11.831 -8.743  37.357  1.000 18.461  ? 37  THR AAA C   1 ? 
ATOM   305  O  O   . THR A 1 37  ? -11.742 -7.792  38.108  1.000 24.677  ? 37  THR AAA O   1 ? 
ATOM   306  C  CB  . THR A 1 37  ? -9.636  -10.045 37.401  1.000 23.941  ? 37  THR AAA CB  1 ? 
ATOM   307  O  OG1 . THR A 1 37  ? -9.158  -11.322 37.843  1.000 32.660  ? 37  THR AAA OG1 1 ? 
ATOM   308  C  CG2 . THR A 1 37  ? -8.881  -8.924  38.081  1.000 29.030  ? 37  THR AAA CG2 1 ? 
ATOM   309  N  N   . ALA A 1 38  ? -12.445 -8.648  36.189  1.000 15.662  ? 38  ALA AAA N   1 ? 
ATOM   310  C  CA  . ALA A 1 38  ? -13.121 -7.402  35.745  1.000 14.016  ? 38  ALA AAA CA  1 ? 
ATOM   311  C  C   . ALA A 1 38  ? -14.307 -7.143  36.655  1.000 17.463  ? 38  ALA AAA C   1 ? 
ATOM   312  O  O   . ALA A 1 38  ? -15.003 -8.069  36.975  1.000 28.263  ? 38  ALA AAA O   1 ? 
ATOM   313  C  CB  . ALA A 1 38  ? -13.530 -7.532  34.310  1.000 14.580  ? 38  ALA AAA CB  1 ? 
ATOM   314  N  N   . LYS A 1 39  ? -14.460 -5.940  37.125  1.000 19.722  ? 39  LYS AAA N   1 ? 
ATOM   315  C  CA  . LYS A 1 39  ? -15.520 -5.649  38.128  1.000 24.576  ? 39  LYS AAA CA  1 ? 
ATOM   316  C  C   . LYS A 1 39  ? -16.681 -4.952  37.427  1.000 16.061  ? 39  LYS AAA C   1 ? 
ATOM   317  O  O   . LYS A 1 39  ? -16.455 -3.940  36.699  1.000 14.217  ? 39  LYS AAA O   1 ? 
ATOM   318  C  CB  . LYS A 1 39  ? -14.865 -4.889  39.265  1.000 32.278  ? 39  LYS AAA CB  1 ? 
ATOM   319  C  CG  . LYS A 1 39  ? -15.811 -4.592  40.422  1.000 45.807  ? 39  LYS AAA CG  1 ? 
ATOM   320  C  CD  . LYS A 1 39  ? -15.117 -3.872  41.534  1.000 42.415  ? 39  LYS AAA CD  1 ? 
ATOM   321  C  CE  . LYS A 1 39  ? -16.096 -3.358  42.554  1.000 36.720  ? 39  LYS AAA CE  1 ? 
ATOM   322  N  NZ  . LYS A 1 39  ? -16.762 -4.498  43.208  1.000 37.694  ? 39  LYS AAA NZ  1 ? 
ATOM   323  N  N   . TYR A 1 40  ? -17.909 -5.397  37.673  1.000 17.670  ? 40  TYR AAA N   1 ? 
ATOM   324  C  CA  . TYR A 1 40  ? -19.106 -4.652  37.251  1.000 19.096  ? 40  TYR AAA CA  1 ? 
ATOM   325  C  C   . TYR A 1 40  ? -19.029 -3.291  37.910  1.000 14.349  ? 40  TYR AAA C   1 ? 
ATOM   326  O  O   . TYR A 1 40  ? -18.854 -3.204  39.141  1.000 17.775  ? 40  TYR AAA O   1 ? 
ATOM   327  C  CB  . TYR A 1 40  ? -20.394 -5.349  37.699  1.000 22.435  ? 40  TYR AAA CB  1 ? 
ATOM   328  C  CG  . TYR A 1 40  ? -21.658 -4.537  37.565  1.000 24.999  ? 40  TYR AAA CG  1 ? 
ATOM   329  C  CD1 . TYR A 1 40  ? -22.082 -4.033  36.357  1.000 23.945  ? 40  TYR AAA CD1 1 ? 
ATOM   330  C  CD2 . TYR A 1 40  ? -22.487 -4.360  38.662  1.000 33.285  ? 40  TYR AAA CD2 1 ? 
ATOM   331  C  CE1 . TYR A 1 40  ? -23.288 -3.355  36.232  1.000 30.637  ? 40  TYR AAA CE1 1 ? 
ATOM   332  C  CE2 . TYR A 1 40  ? -23.689 -3.676  38.557  1.000 37.740  ? 40  TYR AAA CE2 1 ? 
ATOM   333  C  CZ  . TYR A 1 40  ? -24.091 -3.172  37.339  1.000 47.330  ? 40  TYR AAA CZ  1 ? 
ATOM   334  O  OH  . TYR A 1 40  ? -25.273 -2.502  37.265  1.000 46.817  ? 40  TYR AAA OH  1 ? 
ATOM   335  N  N   . ASP A 1 41  ? -19.212 -2.249  37.126  1.000 14.530  ? 41  ASP AAA N   1 ? 
ATOM   336  C  CA  . ASP A 1 41  ? -19.244 -0.848  37.613  1.000 16.860  ? 41  ASP AAA CA  1 ? 
ATOM   337  C  C   . ASP A 1 41  ? -20.653 -0.324  37.369  1.000 19.269  ? 41  ASP AAA C   1 ? 
ATOM   338  O  O   . ASP A 1 41  ? -20.968 0.030   36.233  1.000 18.556  ? 41  ASP AAA O   1 ? 
ATOM   339  C  CB  . ASP A 1 41  ? -18.168 -0.035  36.872  1.000 17.551  ? 41  ASP AAA CB  1 ? 
ATOM   340  C  CG  . ASP A 1 41  ? -18.093 1.365   37.393  1.000 22.225  ? 41  ASP AAA CG  1 ? 
ATOM   341  O  OD1 . ASP A 1 41  ? -19.034 1.759   38.094  1.000 25.134  ? 41  ASP AAA OD1 1 ? 
ATOM   342  O  OD2 . ASP A 1 41  ? -17.157 2.039   37.050  1.000 32.497  ? 41  ASP AAA OD2 1 ? 
ATOM   343  N  N   . PRO A 1 42  ? -21.534 -0.263  38.397  1.000 27.962  ? 42  PRO AAA N   1 ? 
ATOM   344  C  CA  . PRO A 1 42  ? -22.931 0.106   38.173  1.000 33.193  ? 42  PRO AAA CA  1 ? 
ATOM   345  C  C   . PRO A 1 42  ? -23.054 1.560   37.727  1.000 33.825  ? 42  PRO AAA C   1 ? 
ATOM   346  O  O   . PRO A 1 42  ? -24.114 1.897   37.232  1.000 42.102  ? 42  PRO AAA O   1 ? 
ATOM   347  C  CB  . PRO A 1 42  ? -23.547 -0.101  39.555  1.000 36.388  ? 42  PRO AAA CB  1 ? 
ATOM   348  C  CG  . PRO A 1 42  ? -22.400 0.143   40.503  1.000 33.855  ? 42  PRO AAA CG  1 ? 
ATOM   349  C  CD  . PRO A 1 42  ? -21.263 -0.572  39.814  1.000 30.927  ? 42  PRO AAA CD  1 ? 
ATOM   350  N  N   . SER A 1 43  ? -21.996 2.364   37.868  1.000 26.003  ? 43  SER AAA N   1 ? 
ATOM   351  C  CA  . SER A 1 43  ? -22.021 3.821   37.538  1.000 33.643  ? 43  SER AAA CA  1 ? 
ATOM   352  C  C   . SER A 1 43  ? -21.653 4.110   36.065  1.000 29.356  ? 43  SER AAA C   1 ? 
ATOM   353  O  O   . SER A 1 43  ? -21.805 5.276   35.639  1.000 37.784  ? 43  SER AAA O   1 ? 
ATOM   354  C  CB  . SER A 1 43  ? -21.107 4.559   38.435  1.000 38.207  ? 43  SER AAA CB  1 ? 
ATOM   355  O  OG  . SER A 1 43  ? -19.784 4.329   38.041  1.000 37.785  ? 43  SER AAA OG  1 ? 
ATOM   356  N  N   . LEU A 1 44  ? -21.145 3.153   35.304  1.000 28.147  ? 44  LEU AAA N   1 ? 
ATOM   357  C  CA  . LEU A 1 44  ? -21.007 3.338   33.826  1.000 27.564  ? 44  LEU AAA CA  1 ? 
ATOM   358  C  C   . LEU A 1 44  ? -22.360 3.690   33.195  1.000 49.157  ? 44  LEU AAA C   1 ? 
ATOM   359  O  O   . LEU A 1 44  ? -23.337 3.039   33.549  1.000 38.834  ? 44  LEU AAA O   1 ? 
ATOM   360  C  CB  . LEU A 1 44  ? -20.470 2.054   33.219  1.000 21.283  ? 44  LEU AAA CB  1 ? 
ATOM   361  C  CG  . LEU A 1 44  ? -18.986 1.792   33.483  1.000 17.817  ? 44  LEU AAA CG  1 ? 
ATOM   362  C  CD1 . LEU A 1 44  ? -18.609 0.388   33.035  1.000 18.596  ? 44  LEU AAA CD1 1 ? 
ATOM   363  C  CD2 . LEU A 1 44  ? -18.138 2.775   32.765  1.000 17.419  ? 44  LEU AAA CD2 1 ? 
ATOM   364  N  N   . LYS A 1 45  ? -22.386 4.704   32.341  1.000 63.627  ? 45  LYS AAA N   1 ? 
ATOM   365  C  CA  . LYS A 1 45  ? -23.644 5.134   31.717  1.000 78.302  ? 45  LYS AAA CA  1 ? 
ATOM   366  C  C   . LYS A 1 45  ? -23.957 4.181   30.577  1.000 183.260 ? 45  LYS AAA C   1 ? 
ATOM   367  O  O   . LYS A 1 45  ? -23.166 3.286   30.218  1.000 229.163 ? 45  LYS AAA O   1 ? 
ATOM   368  C  CB  . LYS A 1 45  ? -23.565 6.597   31.300  1.000 96.109  ? 45  LYS AAA CB  1 ? 
ATOM   369  C  CG  . LYS A 1 45  ? -23.949 7.590   32.387  1.000 101.863 ? 45  LYS AAA CG  1 ? 
ATOM   370  C  CD  . LYS A 1 45  ? -22.780 7.990   33.254  1.000 114.330 ? 45  LYS AAA CD  1 ? 
ATOM   371  C  CE  . LYS A 1 45  ? -22.840 9.430   33.712  1.000 102.976 ? 45  LYS AAA CE  1 ? 
ATOM   372  N  NZ  . LYS A 1 45  ? -23.223 9.517   35.144  1.000 90.533  ? 45  LYS AAA NZ  1 ? 
ATOM   373  N  N   . PRO A 1 46  ? -25.202 4.236   30.091  1.000 299.349 ? 46  PRO AAA N   1 ? 
ATOM   374  C  CA  . PRO A 1 46  ? -25.580 3.425   28.952  1.000 160.003 ? 46  PRO AAA CA  1 ? 
ATOM   375  C  C   . PRO A 1 46  ? -24.914 3.952   27.644  1.000 211.720 ? 46  PRO AAA C   1 ? 
ATOM   376  O  O   . PRO A 1 46  ? -24.887 5.120   27.351  1.000 139.193 ? 46  PRO AAA O   1 ? 
ATOM   377  C  CB  . PRO A 1 46  ? -27.098 3.577   28.924  1.000 159.220 ? 46  PRO AAA CB  1 ? 
ATOM   378  C  CG  . PRO A 1 46  ? -27.415 3.965   30.344  1.000 158.964 ? 46  PRO AAA CG  1 ? 
ATOM   379  C  CD  . PRO A 1 46  ? -26.329 4.986   30.648  1.000 216.046 ? 46  PRO AAA CD  1 ? 
ATOM   380  N  N   . LEU A 1 47  ? -24.272 2.926   26.840  1.000 62.928  ? 47  LEU AAA N   1 ? 
ATOM   381  C  CA  . LEU A 1 47  ? -23.350 3.351   25.680  1.000 19.272  ? 47  LEU AAA CA  1 ? 
ATOM   382  C  C   . LEU A 1 47  ? -24.312 3.757   24.550  1.000 19.050  ? 47  LEU AAA C   1 ? 
ATOM   383  O  O   . LEU A 1 47  ? -25.356 3.121   24.407  1.000 24.661  ? 47  LEU AAA O   1 ? 
ATOM   384  C  CB  . LEU A 1 47  ? -22.532 2.112   25.304  1.000 29.100  ? 47  LEU AAA CB  1 ? 
ATOM   385  C  CG  . LEU A 1 47  ? -21.468 2.268   24.240  1.000 22.728  ? 47  LEU AAA CG  1 ? 
ATOM   386  C  CD1 . LEU A 1 47  ? -20.288 3.023   24.780  1.000 20.453  ? 47  LEU AAA CD1 1 ? 
ATOM   387  C  CD2 . LEU A 1 47  ? -21.035 0.898   23.712  1.000 23.048  ? 47  LEU AAA CD2 1 ? 
ATOM   388  N  N   . SER A 1 48  ? -23.988 4.793   23.851  1.000 14.339  ? 48  SER AAA N   1 ? 
ATOM   389  C  CA  . SER A 1 48  ? -24.766 5.410   22.772  1.000 14.108  ? 48  SER AAA CA  1 ? 
ATOM   390  C  C   . SER A 1 48  ? -24.004 5.362   21.484  1.000 13.314  ? 48  SER AAA C   1 ? 
ATOM   391  O  O   . SER A 1 48  ? -22.996 6.113   21.382  1.000 15.070  ? 48  SER AAA O   1 ? 
ATOM   392  C  CB  . SER A 1 48  ? -25.125 6.854   23.122  1.000 15.564  ? 48  SER AAA CB  1 ? 
ATOM   393  O  OG  . SER A 1 48  ? -25.848 7.502   22.117  1.000 19.382  ? 48  SER AAA OG  1 ? 
ATOM   394  N  N   . VAL A 1 49  ? -24.344 4.488   20.584  1.000 13.898  ? 49  VAL AAA N   1 ? 
ATOM   395  C  CA  . VAL A 1 49  ? -23.692 4.352   19.244  1.000 15.104  ? 49  VAL AAA CA  1 ? 
ATOM   396  C  C   . VAL A 1 49  ? -24.675 4.975   18.249  1.000 16.572  ? 49  VAL AAA C   1 ? 
ATOM   397  O  O   . VAL A 1 49  ? -25.795 4.435   18.056  1.000 25.113  ? 49  VAL AAA O   1 ? 
ATOM   398  C  CB  . VAL A 1 49  ? -23.430 2.871   18.928  1.000 19.385  ? 49  VAL AAA CB  1 ? 
ATOM   399  C  CG1 . VAL A 1 49  ? -22.746 2.670   17.591  1.000 22.257  ? 49  VAL AAA CG1 1 ? 
ATOM   400  C  CG2 . VAL A 1 49  ? -22.662 2.210   20.063  1.000 21.111  ? 49  VAL AAA CG2 1 ? 
ATOM   401  N  N   . SER A 1 50  ? -24.354 6.143   17.723  1.000 16.756  ? 50  SER AAA N   1 ? 
ATOM   402  C  CA  . SER A 1 50  ? -25.254 6.943   16.868  1.000 18.479  ? 50  SER AAA CA  1 ? 
ATOM   403  C  C   . SER A 1 50  ? -24.699 7.045   15.465  1.000 17.263  ? 50  SER AAA C   1 ? 
ATOM   404  O  O   . SER A 1 50  ? -24.002 7.997   15.196  1.000 18.667  ? 50  SER AAA O   1 ? 
ATOM   405  C  CB  . SER A 1 50  ? -25.459 8.294   17.464  1.000 23.035  ? 50  SER AAA CB  1 ? 
ATOM   406  O  OG  . SER A 1 50  ? -26.270 8.145   18.595  1.000 38.450  ? 50  SER AAA OG  1 ? 
ATOM   407  N  N   . TYR A 1 51  ? -24.950 6.046   14.654  1.000 15.274  ? 51  TYR AAA N   1 ? 
ATOM   408  C  CA  . TYR A 1 51  ? -24.351 5.850   13.327  1.000 15.485  ? 51  TYR AAA CA  1 ? 
ATOM   409  C  C   . TYR A 1 51  ? -25.351 6.090   12.199  1.000 16.709  ? 51  TYR AAA C   1 ? 
ATOM   410  O  O   . TYR A 1 51  ? -24.998 5.899   11.017  1.000 18.698  ? 51  TYR AAA O   1 ? 
ATOM   411  C  CB  . TYR A 1 51  ? -23.775 4.437   13.237  1.000 17.410  ? 51  TYR AAA CB  1 ? 
ATOM   412  C  CG  . TYR A 1 51  ? -22.483 4.178   13.985  1.000 14.198  ? 51  TYR AAA CG  1 ? 
ATOM   413  C  CD1 . TYR A 1 51  ? -21.773 5.163   14.646  1.000 13.467  ? 51  TYR AAA CD1 1 ? 
ATOM   414  C  CD2 . TYR A 1 51  ? -21.969 2.888   14.032  1.000 12.982  ? 51  TYR AAA CD2 1 ? 
ATOM   415  C  CE1 . TYR A 1 51  ? -20.551 4.865   15.273  1.000 12.659  ? 51  TYR AAA CE1 1 ? 
ATOM   416  C  CE2 . TYR A 1 51  ? -20.784 2.562   14.702  1.000 13.520  ? 51  TYR AAA CE2 1 ? 
ATOM   417  C  CZ  . TYR A 1 51  ? -20.078 3.567   15.336  1.000 13.166  ? 51  TYR AAA CZ  1 ? 
ATOM   418  O  OH  . TYR A 1 51  ? -18.902 3.217   15.961  1.000 12.169  ? 51  TYR AAA OH  1 ? 
ATOM   419  N  N   . ASP A 1 52  ? -26.607 6.505   12.485  1.000 19.373  ? 52  ASP AAA N   1 ? 
ATOM   420  C  CA  A ASP A 1 52  ? -27.606 6.702   11.391  0.500 22.571  ? 52  ASP AAA CA  1 ? 
ATOM   421  C  CA  B ASP A 1 52  ? -27.621 6.765   11.418  0.500 20.244  ? 52  ASP AAA CA  1 ? 
ATOM   422  C  C   . ASP A 1 52  ? -27.121 7.716   10.324  1.000 20.197  ? 52  ASP AAA C   1 ? 
ATOM   423  O  O   . ASP A 1 52  ? -27.443 7.475   9.117   1.000 21.817  ? 52  ASP AAA O   1 ? 
ATOM   424  C  CB  A ASP A 1 52  ? -28.997 6.921   12.001  0.500 27.048  ? 52  ASP AAA CB  1 ? 
ATOM   425  C  CB  B ASP A 1 52  ? -28.924 7.318   11.986  0.500 23.206  ? 52  ASP AAA CB  1 ? 
ATOM   426  C  CG  A ASP A 1 52  ? -29.242 8.285   12.615  0.500 34.866  ? 52  ASP AAA CG  1 ? 
ATOM   427  C  CG  B ASP A 1 52  ? -29.974 7.382   10.881  0.500 25.870  ? 52  ASP AAA CG  1 ? 
ATOM   428  O  OD1 A ASP A 1 52  ? -28.266 8.972   12.908  0.500 42.757  ? 52  ASP AAA OD1 1 ? 
ATOM   429  O  OD1 B ASP A 1 52  ? -30.306 6.311   10.324  0.500 28.781  ? 52  ASP AAA OD1 1 ? 
ATOM   430  O  OD2 A ASP A 1 52  ? -30.433 8.642   12.796  0.500 45.521  ? 52  ASP AAA OD2 1 ? 
ATOM   431  O  OD2 B ASP A 1 52  ? -30.327 8.501   10.485  0.500 29.168  ? 52  ASP AAA OD2 1 ? 
ATOM   432  N  N   . GLN A 1 53  ? -26.374 8.779   10.669  1.000 19.845  ? 53  GLN AAA N   1 ? 
ATOM   433  C  CA  A GLN A 1 53  ? -25.943 9.776   9.656   0.510 17.280  ? 53  GLN AAA CA  1 ? 
ATOM   434  C  C   . GLN A 1 53  ? -24.501 9.523   9.188   1.000 19.293  ? 53  GLN AAA C   1 ? 
ATOM   435  O  O   . GLN A 1 53  ? -23.957 10.402  8.543   1.000 20.944  ? 53  GLN AAA O   1 ? 
ATOM   436  C  CB  A GLN A 1 53  ? -26.130 11.164  10.250  0.510 19.211  ? 53  GLN AAA CB  1 ? 
ATOM   437  C  CG  A GLN A 1 53  ? -27.585 11.489  10.520  0.510 21.497  ? 53  GLN AAA CG  1 ? 
ATOM   438  C  CD  A GLN A 1 53  ? -28.316 11.567  9.203   0.510 23.297  ? 53  GLN AAA CD  1 ? 
ATOM   439  O  OE1 A GLN A 1 53  ? -27.938 12.334  8.325   0.510 26.180  ? 53  GLN AAA OE1 1 ? 
ATOM   440  N  NE2 A GLN A 1 53  ? -29.350 10.756  9.039   0.510 24.151  ? 53  GLN AAA NE2 1 ? 
ATOM   441  N  N   . ALA A 1 54  ? -23.956 8.337   9.417   1.000 16.174  ? 54  ALA AAA N   1 ? 
ATOM   442  C  CA  . ALA A 1 54  ? -22.581 8.048   9.016   1.000 14.961  ? 54  ALA AAA CA  1 ? 
ATOM   443  C  C   . ALA A 1 54  ? -22.463 8.195   7.506   1.000 16.236  ? 54  ALA AAA C   1 ? 
ATOM   444  O  O   . ALA A 1 54  ? -23.291 7.689   6.722   1.000 25.433  ? 54  ALA AAA O   1 ? 
ATOM   445  C  CB  . ALA A 1 54  ? -22.187 6.663   9.407   1.000 16.586  ? 54  ALA AAA CB  1 ? 
ATOM   446  N  N   . THR A 1 55  ? -21.321 8.759   7.100   1.000 14.857  ? 55  THR AAA N   1 ? 
ATOM   447  C  CA  . THR A 1 55  ? -20.991 9.030   5.686   1.000 16.445  ? 55  THR AAA CA  1 ? 
ATOM   448  C  C   . THR A 1 55  ? -19.636 8.350   5.380   1.000 11.480  ? 55  THR AAA C   1 ? 
ATOM   449  O  O   . THR A 1 55  ? -18.598 8.955   5.653   1.000 13.874  ? 55  THR AAA O   1 ? 
ATOM   450  C  CB  . THR A 1 55  ? -20.939 10.527  5.376   1.000 21.377  ? 55  THR AAA CB  1 ? 
ATOM   451  O  OG1 . THR A 1 55  ? -22.268 11.015  5.522   1.000 32.764  ? 55  THR AAA OG1 1 ? 
ATOM   452  C  CG2 . THR A 1 55  ? -20.495 10.764  3.944   1.000 26.306  ? 55  THR AAA CG2 1 ? 
ATOM   453  N  N   . SER A 1 56  ? -19.638 7.107   4.909   1.000 11.684  ? 56  SER AAA N   1 ? 
ATOM   454  C  CA  . SER A 1 56  ? -18.352 6.466   4.485   1.000 12.279  ? 56  SER AAA CA  1 ? 
ATOM   455  C  C   . SER A 1 56  ? -17.895 7.121   3.180   1.000 11.463  ? 56  SER AAA C   1 ? 
ATOM   456  O  O   . SER A 1 56  ? -18.718 7.649   2.417   1.000 13.838  ? 56  SER AAA O   1 ? 
ATOM   457  C  CB  . SER A 1 56  ? -18.482 4.997   4.308   1.000 13.258  ? 56  SER AAA CB  1 ? 
ATOM   458  O  OG  . SER A 1 56  ? -19.396 4.658   3.245   1.000 13.609  ? 56  SER AAA OG  1 ? 
ATOM   459  N  N   . LEU A 1 57  ? -16.568 7.124   2.966   1.000 11.984  ? 57  LEU AAA N   1 ? 
ATOM   460  C  CA  . LEU A 1 57  ? -16.002 7.819   1.778   1.000 12.700  ? 57  LEU AAA CA  1 ? 
ATOM   461  C  C   . LEU A 1 57  ? -15.165 6.857   0.946   1.000 10.732  ? 57  LEU AAA C   1 ? 
ATOM   462  O  O   . LEU A 1 57  ? -15.258 6.873   -0.287  1.000 12.761  ? 57  LEU AAA O   1 ? 
ATOM   463  C  CB  . LEU A 1 57  ? -15.153 9.044   2.185   1.000 15.403  ? 57  LEU AAA CB  1 ? 
ATOM   464  C  CG  . LEU A 1 57  ? -15.981 10.225  2.736   1.000 19.647  ? 57  LEU AAA CG  1 ? 
ATOM   465  C  CD1 . LEU A 1 57  ? -15.094 11.348  3.268   1.000 21.968  ? 57  LEU AAA CD1 1 ? 
ATOM   466  C  CD2 . LEU A 1 57  ? -17.010 10.740  1.719   1.000 21.883  ? 57  LEU AAA CD2 1 ? 
ATOM   467  N  N   . ARG A 1 58  ? -14.252 6.118   1.574   1.000 10.243  ? 58  ARG AAA N   1 ? 
ATOM   468  C  CA  . ARG A 1 58  ? -13.167 5.449   0.870   1.000 10.366  ? 58  ARG AAA CA  1 ? 
ATOM   469  C  C   . ARG A 1 58  ? -12.743 4.219   1.679   1.000 9.354   ? 58  ARG AAA C   1 ? 
ATOM   470  O  O   . ARG A 1 58  ? -12.871 4.234   2.895   1.000 9.816   ? 58  ARG AAA O   1 ? 
ATOM   471  C  CB  . ARG A 1 58  ? -12.035 6.458   0.679   1.000 11.053  ? 58  ARG AAA CB  1 ? 
ATOM   472  C  CG  . ARG A 1 58  ? -10.970 5.997   -0.288  1.000 14.146  ? 58  ARG AAA CG  1 ? 
ATOM   473  C  CD  . ARG A 1 58  ? -9.916  7.103   -0.471  1.000 14.862  ? 58  ARG AAA CD  1 ? 
ATOM   474  N  NE  . ARG A 1 58  ? -9.095  7.233   0.734   1.000 14.940  ? 58  ARG AAA NE  1 ? 
ATOM   475  C  CZ  . ARG A 1 58  ? -7.776  7.493   0.744   1.000 16.084  ? 58  ARG AAA CZ  1 ? 
ATOM   476  N  NH1 . ARG A 1 58  ? -7.134  7.656   -0.387  1.000 15.966  ? 58  ARG AAA NH1 1 ? 
ATOM   477  N  NH2 . ARG A 1 58  ? -7.126  7.448   1.881   1.000 15.270  ? 58  ARG AAA NH2 1 ? 
ATOM   478  N  N   . ILE A 1 59  ? -12.104 3.288   0.974   1.000 9.027   ? 59  ILE AAA N   1 ? 
ATOM   479  C  CA  . ILE A 1 59  ? -11.438 2.170   1.613   1.000 9.204   ? 59  ILE AAA CA  1 ? 
ATOM   480  C  C   . ILE A 1 59  ? -10.003 2.137   1.089   1.000 8.641   ? 59  ILE AAA C   1 ? 
ATOM   481  O  O   . ILE A 1 59  ? -9.766  2.319   -0.106  1.000 10.460  ? 59  ILE AAA O   1 ? 
ATOM   482  C  CB  . ILE A 1 59  ? -12.208 0.864   1.406   1.000 9.590   ? 59  ILE AAA CB  1 ? 
ATOM   483  C  CG1 . ILE A 1 59  ? -11.700 -0.254  2.324   1.000 9.580   ? 59  ILE AAA CG1 1 ? 
ATOM   484  C  CG2 . ILE A 1 59  ? -12.221 0.461   -0.055  1.000 10.899  ? 59  ILE AAA CG2 1 ? 
ATOM   485  C  CD1 . ILE A 1 59  ? -12.491 -1.550  2.216   1.000 11.554  ? 59  ILE AAA CD1 1 ? 
ATOM   486  N  N   . LEU A 1 60  ? -9.054  1.987   2.029   1.000 9.397   ? 60  LEU AAA N   1 ? 
ATOM   487  C  CA  . LEU A 1 60  ? -7.607  2.124   1.763   1.000 9.168   ? 60  LEU AAA CA  1 ? 
ATOM   488  C  C   . LEU A 1 60  ? -6.889  0.883   2.312   1.000 8.548   ? 60  LEU AAA C   1 ? 
ATOM   489  O  O   . LEU A 1 60  ? -7.048  0.605   3.501   1.000 9.660   ? 60  LEU AAA O   1 ? 
ATOM   490  C  CB  . LEU A 1 60  ? -7.052  3.411   2.410   1.000 10.789  ? 60  LEU AAA CB  1 ? 
ATOM   491  C  CG  . LEU A 1 60  ? -5.552  3.584   2.397   1.000 11.599  ? 60  LEU AAA CG  1 ? 
ATOM   492  C  CD1 . LEU A 1 60  ? -5.062  3.820   1.011   1.000 13.276  ? 60  LEU AAA CD1 1 ? 
ATOM   493  C  CD2 . LEU A 1 60  ? -5.125  4.709   3.365   1.000 13.666  ? 60  LEU AAA CD2 1 ? 
ATOM   494  N  N   . ASN A 1 61  ? -6.014  0.292   1.491   1.000 8.376   ? 61  ASN AAA N   1 ? 
ATOM   495  C  CA  . ASN A 1 61  ? -4.987  -0.641  2.020   1.000 9.235   ? 61  ASN AAA CA  1 ? 
ATOM   496  C  C   . ASN A 1 61  ? -3.766  0.169   2.435   1.000 8.695   ? 61  ASN AAA C   1 ? 
ATOM   497  O  O   . ASN A 1 61  ? -3.139  0.771   1.558   1.000 10.300  ? 61  ASN AAA O   1 ? 
ATOM   498  C  CB  . ASN A 1 61  ? -4.615  -1.673  0.954   1.000 9.384   ? 61  ASN AAA CB  1 ? 
ATOM   499  C  CG  . ASN A 1 61  ? -3.609  -2.702  1.398   1.000 8.988   ? 61  ASN AAA CG  1 ? 
ATOM   500  O  OD1 . ASN A 1 61  ? -2.776  -2.367  2.232   1.000 10.376  ? 61  ASN AAA OD1 1 ? 
ATOM   501  N  ND2 . ASN A 1 61  ? -3.652  -3.858  0.752   1.000 10.638  ? 61  ASN AAA ND2 1 ? 
ATOM   502  N  N   . ASN A 1 62  ? -3.526  0.250   3.735   1.000 9.144   ? 62  ASN AAA N   1 ? 
ATOM   503  C  CA  . ASN A 1 62  ? -2.395  1.075   4.203   1.000 10.227  ? 62  ASN AAA CA  1 ? 
ATOM   504  C  C   . ASN A 1 62  ? -1.105  0.272   4.432   1.000 10.754  ? 62  ASN AAA C   1 ? 
ATOM   505  O  O   . ASN A 1 62  ? -0.138  0.806   4.998   1.000 13.358  ? 62  ASN AAA O   1 ? 
ATOM   506  C  CB  . ASN A 1 62  ? -2.728  1.853   5.451   1.000 10.000  ? 62  ASN AAA CB  1 ? 
ATOM   507  C  CG  . ASN A 1 62  ? -3.068  0.987   6.635   1.000 10.356  ? 62  ASN AAA CG  1 ? 
ATOM   508  O  OD1 . ASN A 1 62  ? -2.739  -0.184  6.671   1.000 10.942  ? 62  ASN AAA OD1 1 ? 
ATOM   509  N  ND2 . ASN A 1 62  ? -3.796  1.539   7.607   1.000 15.376  ? 62  ASN AAA ND2 1 ? 
ATOM   510  N  N   . GLY A 1 63  ? -1.092  -0.992  3.993   1.000 10.086  ? 63  GLY AAA N   1 ? 
ATOM   511  C  CA  . GLY A 1 63  ? 0.089   -1.826  4.194   1.000 11.338  ? 63  GLY AAA CA  1 ? 
ATOM   512  C  C   . GLY A 1 63  ? 0.124   -2.539  5.513   1.000 10.162  ? 63  GLY AAA C   1 ? 
ATOM   513  O  O   . GLY A 1 63  ? 1.006   -3.398  5.697   1.000 11.767  ? 63  GLY AAA O   1 ? 
ATOM   514  N  N   . HIS A 1 64  ? -0.819  -2.297  6.407   1.000 10.235  ? 64  HIS AAA N   1 ? 
ATOM   515  C  CA  . HIS A 1 64  ? -0.914  -2.901  7.757   1.000 11.641  ? 64  HIS AAA CA  1 ? 
ATOM   516  C  C   . HIS A 1 64  ? -2.287  -3.566  7.929   1.000 10.829  ? 64  HIS AAA C   1 ? 
ATOM   517  O  O   . HIS A 1 64  ? -2.387  -4.576  8.588   1.000 17.563  ? 64  HIS AAA O   1 ? 
ATOM   518  C  CB  . HIS A 1 64  ? -0.651  -1.827  8.854   1.000 13.878  ? 64  HIS AAA CB  1 ? 
ATOM   519  C  CG  . HIS A 1 64  ? 0.605   -1.055  8.653   1.000 18.616  ? 64  HIS AAA CG  1 ? 
ATOM   520  N  ND1 . HIS A 1 64  ? 1.828   -1.696  8.734   1.000 22.043  ? 64  HIS AAA ND1 1 ? 
ATOM   521  C  CD2 . HIS A 1 64  ? 0.822   0.250   8.432   1.000 21.018  ? 64  HIS AAA CD2 1 ? 
ATOM   522  C  CE1 . HIS A 1 64  ? 2.803   -0.816  8.588   1.000 25.800  ? 64  HIS AAA CE1 1 ? 
ATOM   523  N  NE2 . HIS A 1 64  ? 2.197   0.404   8.373   1.000 30.262  ? 64  HIS AAA NE2 1 ? 
ATOM   524  N  N   . ALA A 1 65  ? -3.343  -2.970  7.382   1.000 9.412   ? 65  ALA AAA N   1 ? 
ATOM   525  C  CA  . ALA A 1 65  ? -4.720  -3.377  7.427   1.000 8.949   ? 65  ALA AAA CA  1 ? 
ATOM   526  C  C   . ALA A 1 65  ? -5.386  -2.622  6.269   1.000 8.405   ? 65  ALA AAA C   1 ? 
ATOM   527  O  O   . ALA A 1 65  ? -4.749  -2.018  5.413   1.000 10.334  ? 65  ALA AAA O   1 ? 
ATOM   528  C  CB  . ALA A 1 65  ? -5.299  -3.131  8.790   1.000 9.814   ? 65  ALA AAA CB  1 ? 
ATOM   529  N  N   . PHE A 1 66  ? -6.692  -2.656  6.255   1.000 9.467   ? 66  PHE AAA N   1 ? 
ATOM   530  C  CA  . PHE A 1 66  ? -7.484  -1.746  5.402   1.000 9.317   ? 66  PHE AAA CA  1 ? 
ATOM   531  C  C   . PHE A 1 66  ? -8.427  -0.909  6.262   1.000 8.425   ? 66  PHE AAA C   1 ? 
ATOM   532  O  O   . PHE A 1 66  ? -8.999  -1.383  7.213   1.000 9.222   ? 66  PHE AAA O   1 ? 
ATOM   533  C  CB  . PHE A 1 66  ? -8.283  -2.485  4.319   1.000 10.658  ? 66  PHE AAA CB  1 ? 
ATOM   534  C  CG  . PHE A 1 66  ? -9.323  -3.422  4.812   1.000 10.207  ? 66  PHE AAA CG  1 ? 
ATOM   535  C  CD1 . PHE A 1 66  ? -10.586 -2.971  5.049   1.000 10.494  ? 66  PHE AAA CD1 1 ? 
ATOM   536  C  CD2 . PHE A 1 66  ? -9.057  -4.759  4.955   1.000 12.550  ? 66  PHE AAA CD2 1 ? 
ATOM   537  C  CE1 . PHE A 1 66  ? -11.561 -3.834  5.522   1.000 11.834  ? 66  PHE AAA CE1 1 ? 
ATOM   538  C  CE2 . PHE A 1 66  ? -10.016 -5.629  5.434   1.000 11.885  ? 66  PHE AAA CE2 1 ? 
ATOM   539  C  CZ  . PHE A 1 66  ? -11.272 -5.157  5.709   1.000 12.961  ? 66  PHE AAA CZ  1 ? 
ATOM   540  N  N   . ASN A 1 67  ? -8.497  0.372   5.920   1.000 8.635   ? 67  ASN AAA N   1 ? 
ATOM   541  C  CA  . ASN A 1 67  ? -9.352  1.292   6.675   1.000 8.499   ? 67  ASN AAA CA  1 ? 
ATOM   542  C  C   . ASN A 1 67  ? -10.517 1.727   5.794   1.000 8.946   ? 67  ASN AAA C   1 ? 
ATOM   543  O  O   . ASN A 1 67  ? -10.333 2.109   4.640   1.000 9.721   ? 67  ASN AAA O   1 ? 
ATOM   544  C  CB  . ASN A 1 67  ? -8.621  2.574   7.068   1.000 10.156  ? 67  ASN AAA CB  1 ? 
ATOM   545  C  CG  . ASN A 1 67  ? -7.509  2.346   8.047   1.000 11.182  ? 67  ASN AAA CG  1 ? 
ATOM   546  O  OD1 . ASN A 1 67  ? -7.436  1.308   8.671   1.000 13.186  ? 67  ASN AAA OD1 1 ? 
ATOM   547  N  ND2 . ASN A 1 67  ? -6.629  3.325   8.178   1.000 17.366  ? 67  ASN AAA ND2 1 ? 
ATOM   548  N  N   . VAL A 1 68  ? -11.723 1.641   6.360   1.000 8.457   ? 68  VAL AAA N   1 ? 
ATOM   549  C  CA  . VAL A 1 68  ? -12.921 2.302   5.812   1.000 8.888   ? 68  VAL AAA CA  1 ? 
ATOM   550  C  C   . VAL A 1 68  ? -13.030 3.651   6.495   1.000 9.987   ? 68  VAL AAA C   1 ? 
ATOM   551  O  O   . VAL A 1 68  ? -13.160 3.692   7.719   1.000 9.174   ? 68  VAL AAA O   1 ? 
ATOM   552  C  CB  . VAL A 1 68  ? -14.159 1.437   5.980   1.000 10.043  ? 68  VAL AAA CB  1 ? 
ATOM   553  C  CG1 . VAL A 1 68  ? -15.416 2.201   5.508   1.000 11.171  ? 68  VAL AAA CG1 1 ? 
ATOM   554  C  CG2 . VAL A 1 68  ? -14.050 0.133   5.266   1.000 11.145  ? 68  VAL AAA CG2 1 ? 
ATOM   555  N  N   . GLU A 1 69  ? -12.924 4.691   5.695   1.000 9.701   ? 69  GLU AAA N   1 ? 
ATOM   556  C  CA  . GLU A 1 69  ? -12.803 6.064   6.196   1.000 9.480   ? 69  GLU AAA CA  1 ? 
ATOM   557  C  C   . GLU A 1 69  ? -14.174 6.748   6.086   1.000 8.944   ? 69  GLU AAA C   1 ? 
ATOM   558  O  O   . GLU A 1 69  ? -14.895 6.533   5.111   1.000 10.683  ? 69  GLU AAA O   1 ? 
ATOM   559  C  CB  . GLU A 1 69  ? -11.808 6.858   5.383   1.000 11.109  ? 69  GLU AAA CB  1 ? 
ATOM   560  C  CG  . GLU A 1 69  ? -10.428 6.198   5.388   1.000 12.563  ? 69  GLU AAA CG  1 ? 
ATOM   561  C  CD  . GLU A 1 69  ? -9.492  6.782   4.345   1.000 14.994  ? 69  GLU AAA CD  1 ? 
ATOM   562  O  OE1 . GLU A 1 69  ? -9.973  7.424   3.366   1.000 16.095  ? 69  GLU AAA OE1 1 ? 
ATOM   563  O  OE2 . GLU A 1 69  ? -8.299  6.491   4.405   1.000 19.758  ? 69  GLU AAA OE2 1 ? 
ATOM   564  N  N   . PHE A 1 70  ? -14.437 7.601   7.042   1.000 9.693   ? 70  PHE AAA N   1 ? 
ATOM   565  C  CA  . PHE A 1 70  ? -15.686 8.364   7.132   1.000 10.145  ? 70  PHE AAA CA  1 ? 
ATOM   566  C  C   . PHE A 1 70  ? -15.420 9.869   7.055   1.000 11.351  ? 70  PHE AAA C   1 ? 
ATOM   567  O  O   . PHE A 1 70  ? -14.369 10.359  7.471   1.000 12.942  ? 70  PHE AAA O   1 ? 
ATOM   568  C  CB  . PHE A 1 70  ? -16.396 8.022   8.442   1.000 10.102  ? 70  PHE AAA CB  1 ? 
ATOM   569  C  CG  . PHE A 1 70  ? -16.959 6.637   8.458   1.000 9.884   ? 70  PHE AAA CG  1 ? 
ATOM   570  C  CD1 . PHE A 1 70  ? -16.156 5.554   8.712   1.000 9.956   ? 70  PHE AAA CD1 1 ? 
ATOM   571  C  CD2 . PHE A 1 70  ? -18.272 6.386   8.124   1.000 10.361  ? 70  PHE AAA CD2 1 ? 
ATOM   572  C  CE1 . PHE A 1 70  ? -16.619 4.258   8.568   1.000 10.624  ? 70  PHE AAA CE1 1 ? 
ATOM   573  C  CE2 . PHE A 1 70  ? -18.769 5.102   8.027   1.000 10.280  ? 70  PHE AAA CE2 1 ? 
ATOM   574  C  CZ  . PHE A 1 70  ? -17.941 4.026   8.238   1.000 11.979  ? 70  PHE AAA CZ  1 ? 
ATOM   575  N  N   . ASP A 1 71  ? -16.444 10.614  6.678   1.000 14.131  ? 71  ASP AAA N   1 ? 
ATOM   576  C  CA  . ASP A 1 71  ? -16.466 12.100  6.829   1.000 14.403  ? 71  ASP AAA CA  1 ? 
ATOM   577  C  C   . ASP A 1 71  ? -16.645 12.429  8.315   1.000 16.317  ? 71  ASP AAA C   1 ? 
ATOM   578  O  O   . ASP A 1 71  ? -17.742 12.279  8.805   1.000 20.375  ? 71  ASP AAA O   1 ? 
ATOM   579  C  CB  . ASP A 1 71  ? -17.599 12.734  6.034   1.000 19.156  ? 71  ASP AAA CB  1 ? 
ATOM   580  C  CG  . ASP A 1 71  ? -17.698 14.246  6.190   1.000 20.911  ? 71  ASP AAA CG  1 ? 
ATOM   581  O  OD1 . ASP A 1 71  ? -16.798 14.834  6.761   1.000 23.448  ? 71  ASP AAA OD1 1 ? 
ATOM   582  O  OD2 . ASP A 1 71  ? -18.736 14.792  5.760   1.000 30.475  ? 71  ASP AAA OD2 1 ? 
ATOM   583  N  N   . ASP A 1 72  ? -15.663 13.002  8.957   1.000 17.400  ? 72  ASP AAA N   1 ? 
ATOM   584  C  CA  . ASP A 1 72  ? -15.691 13.387  10.384  1.000 15.505  ? 72  ASP AAA CA  1 ? 
ATOM   585  C  C   . ASP A 1 72  ? -15.562 14.922  10.519  1.000 20.339  ? 72  ASP AAA C   1 ? 
ATOM   586  O  O   . ASP A 1 72  ? -14.974 15.368  11.508  1.000 22.343  ? 72  ASP AAA O   1 ? 
ATOM   587  C  CB  . ASP A 1 72  ? -14.562 12.670  11.118  1.000 18.999  ? 72  ASP AAA CB  1 ? 
ATOM   588  C  CG  . ASP A 1 72  ? -13.165 12.995  10.637  1.000 19.012  ? 72  ASP AAA CG  1 ? 
ATOM   589  O  OD1 . ASP A 1 72  ? -13.036 13.580  9.550   1.000 26.201  ? 72  ASP AAA OD1 1 ? 
ATOM   590  O  OD2 . ASP A 1 72  ? -12.219 12.602  11.327  1.000 19.706  ? 72  ASP AAA OD2 1 ? 
ATOM   591  N  N   . SER A 1 73  ? -15.858 15.665  9.466   1.000 21.800  ? 73  SER AAA N   1 ? 
ATOM   592  C  CA  . SER A 1 73  ? -15.756 17.148  9.419   1.000 22.755  ? 73  SER AAA CA  1 ? 
ATOM   593  C  C   . SER A 1 73  ? -17.004 17.767  10.088  1.000 27.370  ? 73  SER AAA C   1 ? 
ATOM   594  O  O   . SER A 1 73  ? -17.020 19.035  10.228  1.000 33.207  ? 73  SER AAA O   1 ? 
ATOM   595  C  CB  . SER A 1 73  ? -15.608 17.651  8.004   1.000 29.010  ? 73  SER AAA CB  1 ? 
ATOM   596  O  OG  . SER A 1 73  ? -16.840 17.477  7.299   1.000 27.506  ? 73  SER AAA OG  1 ? 
ATOM   597  N  N   . GLN A 1 74  ? -18.007 16.949  10.462  1.000 24.579  ? 74  GLN AAA N   1 ? 
ATOM   598  C  CA  . GLN A 1 74  ? -19.195 17.343  11.298  1.000 27.614  ? 74  GLN AAA CA  1 ? 
ATOM   599  C  C   . GLN A 1 74  ? -19.601 16.170  12.194  1.000 23.204  ? 74  GLN AAA C   1 ? 
ATOM   600  O  O   . GLN A 1 74  ? -19.104 15.058  11.904  1.000 21.156  ? 74  GLN AAA O   1 ? 
ATOM   601  C  CB  . GLN A 1 74  ? -20.453 17.625  10.471  1.000 31.978  ? 74  GLN AAA CB  1 ? 
ATOM   602  C  CG  . GLN A 1 74  ? -20.241 18.614  9.364   1.000 37.911  ? 74  GLN AAA CG  1 ? 
ATOM   603  C  CD  . GLN A 1 74  ? -21.586 18.862  8.748   1.000 36.579  ? 74  GLN AAA CD  1 ? 
ATOM   604  O  OE1 . GLN A 1 74  ? -21.867 18.421  7.632   1.000 40.642  ? 74  GLN AAA OE1 1 ? 
ATOM   605  N  NE2 . GLN A 1 74  ? -22.455 19.466  9.543   1.000 36.045  ? 74  GLN AAA NE2 1 ? 
ATOM   606  N  N   . ASP A 1 75  ? -20.457 16.418  13.204  1.000 30.278  ? 75  ASP AAA N   1 ? 
ATOM   607  C  CA  . ASP A 1 75  ? -21.015 15.380  14.120  1.000 29.820  ? 75  ASP AAA CA  1 ? 
ATOM   608  C  C   . ASP A 1 75  ? -22.074 14.657  13.312  1.000 34.044  ? 75  ASP AAA C   1 ? 
ATOM   609  O  O   . ASP A 1 75  ? -23.171 15.221  13.117  1.000 48.447  ? 75  ASP AAA O   1 ? 
ATOM   610  C  CB  . ASP A 1 75  ? -21.621 15.901  15.432  1.000 29.734  ? 75  ASP AAA CB  1 ? 
ATOM   611  C  CG  . ASP A 1 75  ? -20.634 16.320  16.518  1.000 25.710  ? 75  ASP AAA CG  1 ? 
ATOM   612  O  OD1 . ASP A 1 75  ? -19.464 15.983  16.403  1.000 38.520  ? 75  ASP AAA OD1 1 ? 
ATOM   613  O  OD2 . ASP A 1 75  ? -21.083 16.984  17.477  1.000 35.861  ? 75  ASP AAA OD2 1 ? 
ATOM   614  N  N   . LYS A 1 76  ? -21.652 13.568  12.704  1.000 24.916  ? 76  LYS AAA N   1 ? 
ATOM   615  C  CA  . LYS A 1 76  ? -22.469 12.611  11.936  1.000 26.992  ? 76  LYS AAA CA  1 ? 
ATOM   616  C  C   . LYS A 1 76  ? -22.618 11.354  12.798  1.000 26.645  ? 76  LYS AAA C   1 ? 
ATOM   617  O  O   . LYS A 1 76  ? -23.539 11.258  13.574  1.000 44.519  ? 76  LYS AAA O   1 ? 
ATOM   618  C  CB  . LYS A 1 76  ? -21.815 12.395  10.555  1.000 28.726  ? 76  LYS AAA CB  1 ? 
ATOM   619  C  CG  . LYS A 1 76  ? -21.986 13.594  9.612   1.000 33.673  ? 76  LYS AAA CG  1 ? 
ATOM   620  C  CD  . LYS A 1 76  ? -21.503 13.339  8.195   1.000 38.048  ? 76  LYS AAA CD  1 ? 
ATOM   621  C  CE  . LYS A 1 76  ? -21.873 14.448  7.238   1.000 39.261  ? 76  LYS AAA CE  1 ? 
ATOM   622  N  NZ  . LYS A 1 76  ? -21.946 13.935  5.856   1.000 44.360  ? 76  LYS AAA NZ  1 ? 
ATOM   623  N  N   . ALA A 1 77  ? -21.661 10.481  12.668  1.000 18.509  ? 77  ALA AAA N   1 ? 
ATOM   624  C  CA  . ALA A 1 77  ? -21.541 9.184   13.340  1.000 15.891  ? 77  ALA AAA CA  1 ? 
ATOM   625  C  C   . ALA A 1 77  ? -20.749 9.379   14.629  1.000 13.747  ? 77  ALA AAA C   1 ? 
ATOM   626  O  O   . ALA A 1 77  ? -19.554 9.770   14.561  1.000 16.437  ? 77  ALA AAA O   1 ? 
ATOM   627  C  CB  . ALA A 1 77  ? -20.891 8.201   12.404  1.000 20.246  ? 77  ALA AAA CB  1 ? 
ATOM   628  N  N   . VAL A 1 78  ? -21.374 9.228   15.789  1.000 13.004  ? 78  VAL AAA N   1 ? 
ATOM   629  C  CA  . VAL A 1 78  ? -20.726 9.525   17.065  1.000 13.275  ? 78  VAL AAA CA  1 ? 
ATOM   630  C  C   . VAL A 1 78  ? -20.961 8.417   18.079  1.000 12.355  ? 78  VAL AAA C   1 ? 
ATOM   631  O  O   . VAL A 1 78  ? -21.937 7.714   18.060  1.000 15.433  ? 78  VAL AAA O   1 ? 
ATOM   632  C  CB  . VAL A 1 78  ? -21.040 10.913  17.598  1.000 19.020  ? 78  VAL AAA CB  1 ? 
ATOM   633  C  CG1 . VAL A 1 78  ? -20.754 12.002  16.595  1.000 19.854  ? 78  VAL AAA CG1 1 ? 
ATOM   634  C  CG2 . VAL A 1 78  ? -22.441 10.920  18.026  1.000 20.910  ? 78  VAL AAA CG2 1 ? 
ATOM   635  N  N   . LEU A 1 79  ? -20.018 8.311   18.982  1.000 11.790  ? 79  LEU AAA N   1 ? 
ATOM   636  C  CA  . LEU A 1 79  ? -20.045 7.442   20.145  1.000 12.381  ? 79  LEU AAA CA  1 ? 
ATOM   637  C  C   . LEU A 1 79  ? -20.041 8.321   21.384  1.000 11.848  ? 79  LEU AAA C   1 ? 
ATOM   638  O  O   . LEU A 1 79  ? -19.229 9.250   21.475  1.000 13.310  ? 79  LEU AAA O   1 ? 
ATOM   639  C  CB  . LEU A 1 79  ? -18.822 6.525   20.083  1.000 12.227  ? 79  LEU AAA CB  1 ? 
ATOM   640  C  CG  . LEU A 1 79  ? -18.725 5.489   21.174  1.000 12.820  ? 79  LEU AAA CG  1 ? 
ATOM   641  C  CD1 . LEU A 1 79  ? -19.802 4.462   21.044  1.000 14.775  ? 79  LEU AAA CD1 1 ? 
ATOM   642  C  CD2 . LEU A 1 79  ? -17.346 4.812   21.109  1.000 11.728  ? 79  LEU AAA CD2 1 ? 
ATOM   643  N  N   . LYS A 1 80  ? -20.965 8.053   22.287  1.000 11.279  ? 80  LYS AAA N   1 ? 
ATOM   644  C  CA  . LYS A 1 80  ? -21.110 8.784   23.561  1.000 13.161  ? 80  LYS AAA CA  1 ? 
ATOM   645  C  C   . LYS A 1 80  ? -21.502 7.790   24.651  1.000 12.813  ? 80  LYS AAA C   1 ? 
ATOM   646  O  O   . LYS A 1 80  ? -21.821 6.628   24.360  1.000 13.375  ? 80  LYS AAA O   1 ? 
ATOM   647  C  CB  . LYS A 1 80  ? -22.182 9.874   23.471  1.000 17.747  ? 80  LYS AAA CB  1 ? 
ATOM   648  C  CG  . LYS A 1 80  ? -21.982 10.920  22.370  1.000 22.348  ? 80  LYS AAA CG  1 ? 
ATOM   649  C  CD  . LYS A 1 80  ? -23.204 11.809  22.192  1.000 27.668  ? 80  LYS AAA CD  1 ? 
ATOM   650  C  CE  . LYS A 1 80  ? -23.833 12.208  23.510  1.000 39.340  ? 80  LYS AAA CE  1 ? 
ATOM   651  N  NZ  . LYS A 1 80  ? -23.685 13.660  23.790  1.000 51.588  ? 80  LYS AAA NZ  1 ? 
ATOM   652  N  N   . GLY A 1 81  ? -21.483 8.248   25.896  1.000 14.374  ? 81  GLY AAA N   1 ? 
ATOM   653  C  CA  . GLY A 1 81  ? -22.003 7.457   27.015  1.000 14.237  ? 81  GLY AAA CA  1 ? 
ATOM   654  C  C   . GLY A 1 81  ? -20.978 6.428   27.390  1.000 13.851  ? 81  GLY AAA C   1 ? 
ATOM   655  O  O   . GLY A 1 81  ? -19.772 6.602   27.108  1.000 13.712  ? 81  GLY AAA O   1 ? 
ATOM   656  N  N   . GLY A 1 82  ? -21.405 5.406   28.095  1.000 17.283  ? 82  GLY AAA N   1 ? 
ATOM   657  C  CA  . GLY A 1 82  ? -20.480 4.440   28.672  1.000 19.874  ? 82  GLY AAA CA  1 ? 
ATOM   658  C  C   . GLY A 1 82  ? -19.531 5.122   29.624  1.000 16.477  ? 82  GLY AAA C   1 ? 
ATOM   659  O  O   . GLY A 1 82  ? -19.918 5.931   30.474  1.000 19.745  ? 82  GLY AAA O   1 ? 
ATOM   660  N  N   . PRO A 1 83  ? -18.228 4.843   29.449  1.000 15.191  ? 83  PRO AAA N   1 ? 
ATOM   661  C  CA  . PRO A 1 83  ? -17.214 5.489   30.271  1.000 15.224  ? 83  PRO AAA CA  1 ? 
ATOM   662  C  C   . PRO A 1 83  ? -16.834 6.888   29.758  1.000 13.212  ? 83  PRO AAA C   1 ? 
ATOM   663  O  O   . PRO A 1 83  ? -16.012 7.570   30.377  1.000 18.948  ? 83  PRO AAA O   1 ? 
ATOM   664  C  CB  . PRO A 1 83  ? -16.022 4.529   30.085  1.000 14.802  ? 83  PRO AAA CB  1 ? 
ATOM   665  C  CG  . PRO A 1 83  ? -16.139 4.068   28.633  1.000 13.551  ? 83  PRO AAA CG  1 ? 
ATOM   666  C  CD  . PRO A 1 83  ? -17.648 3.925   28.439  1.000 13.037  ? 83  PRO AAA CD  1 ? 
ATOM   667  N  N   . LEU A 1 84  ? -17.453 7.329   28.648  1.000 13.008  ? 84  LEU AAA N   1 ? 
ATOM   668  C  CA  . LEU A 1 84  ? -16.971 8.532   27.946  1.000 12.307  ? 84  LEU AAA CA  1 ? 
ATOM   669  C  C   . LEU A 1 84  ? -17.592 9.812   28.487  1.000 14.155  ? 84  LEU AAA C   1 ? 
ATOM   670  O  O   . LEU A 1 84  ? -18.771 9.839   28.739  1.000 16.842  ? 84  LEU AAA O   1 ? 
ATOM   671  C  CB  . LEU A 1 84  ? -17.223 8.396   26.454  1.000 11.248  ? 84  LEU AAA CB  1 ? 
ATOM   672  C  CG  . LEU A 1 84  ? -16.662 7.153   25.776  1.000 10.690  ? 84  LEU AAA CG  1 ? 
ATOM   673  C  CD1 . LEU A 1 84  ? -17.189 7.074   24.339  1.000 13.216  ? 84  LEU AAA CD1 1 ? 
ATOM   674  C  CD2 . LEU A 1 84  ? -15.161 7.144   25.816  1.000 11.735  ? 84  LEU AAA CD2 1 ? 
ATOM   675  N  N   . ASP A 1 85  ? -16.821 10.857  28.497  1.000 15.295  ? 85  ASP AAA N   1 ? 
ATOM   676  C  CA  A ASP A 1 85  ? -17.281 12.231  28.719  1.000 20.545  ? 85  ASP AAA CA  1 ? 
ATOM   677  C  C   . ASP A 1 85  ? -17.264 12.893  27.337  1.000 21.095  ? 85  ASP AAA C   1 ? 
ATOM   678  O  O   . ASP A 1 85  ? -16.203 12.962  26.718  1.000 27.494  ? 85  ASP AAA O   1 ? 
ATOM   679  C  CB  A ASP A 1 85  ? -16.304 12.945  29.668  1.000 28.605  ? 85  ASP AAA CB  1 ? 
ATOM   680  C  CG  A ASP A 1 85  ? -16.563 12.683  31.136  1.000 48.411  ? 85  ASP AAA CG  1 ? 
ATOM   681  O  OD1 A ASP A 1 85  ? -17.550 11.961  31.458  1.000 60.242  ? 85  ASP AAA OD1 1 ? 
ATOM   682  O  OD2 A ASP A 1 85  ? -15.788 13.239  31.960  1.000 79.804  ? 85  ASP AAA OD2 1 ? 
ATOM   683  N  N   . GLY A 1 86  ? -18.335 13.506  26.918  1.000 21.392  ? 86  GLY AAA N   1 ? 
ATOM   684  C  CA  . GLY A 1 86  ? -18.366 14.224  25.642  1.000 21.029  ? 86  GLY AAA CA  1 ? 
ATOM   685  C  C   . GLY A 1 86  ? -18.596 13.317  24.454  1.000 16.531  ? 86  GLY AAA C   1 ? 
ATOM   686  O  O   . GLY A 1 86  ? -19.127 12.193  24.566  1.000 21.887  ? 86  GLY AAA O   1 ? 
ATOM   687  N  N   . THR A 1 87  ? -18.260 13.837  23.300  1.000 15.433  ? 87  THR AAA N   1 ? 
ATOM   688  C  CA  . THR A 1 87  ? -18.695 13.340  22.004  1.000 15.042  ? 87  THR AAA CA  1 ? 
ATOM   689  C  C   . THR A 1 87  ? -17.472 12.879  21.205  1.000 12.368  ? 87  THR AAA C   1 ? 
ATOM   690  O  O   . THR A 1 87  ? -16.509 13.658  21.076  1.000 13.031  ? 87  THR AAA O   1 ? 
ATOM   691  C  CB  . THR A 1 87  ? -19.434 14.439  21.231  1.000 20.397  ? 87  THR AAA CB  1 ? 
ATOM   692  O  OG1 . THR A 1 87  ? -20.580 14.840  21.982  1.000 26.761  ? 87  THR AAA OG1 1 ? 
ATOM   693  C  CG2 . THR A 1 87  ? -19.862 13.940  19.868  1.000 21.244  ? 87  THR AAA CG2 1 ? 
ATOM   694  N  N   . TYR A 1 88  ? -17.515 11.670  20.724  1.000 10.593  ? 88  TYR AAA N   1 ? 
ATOM   695  C  CA  . TYR A 1 88  ? -16.425 11.082  19.957  1.000 10.224  ? 88  TYR AAA CA  1 ? 
ATOM   696  C  C   . TYR A 1 88  ? -16.885 10.772  18.551  1.000 10.588  ? 88  TYR AAA C   1 ? 
ATOM   697  O  O   . TYR A 1 88  ? -17.844 10.014  18.359  1.000 13.464  ? 88  TYR AAA O   1 ? 
ATOM   698  C  CB  . TYR A 1 88  ? -15.855 9.877   20.638  1.000 9.664   ? 88  TYR AAA CB  1 ? 
ATOM   699  C  CG  . TYR A 1 88  ? -15.104 10.119  21.899  1.000 9.238   ? 88  TYR AAA CG  1 ? 
ATOM   700  C  CD1 . TYR A 1 88  ? -15.713 10.503  23.078  1.000 10.647  ? 88  TYR AAA CD1 1 ? 
ATOM   701  C  CD2 . TYR A 1 88  ? -13.755 9.889   21.939  1.000 9.170   ? 88  TYR AAA CD2 1 ? 
ATOM   702  C  CE1 . TYR A 1 88  ? -15.002 10.690  24.255  1.000 10.637  ? 88  TYR AAA CE1 1 ? 
ATOM   703  C  CE2 . TYR A 1 88  ? -13.047 10.047  23.119  1.000 9.435   ? 88  TYR AAA CE2 1 ? 
ATOM   704  C  CZ  . TYR A 1 88  ? -13.642 10.398  24.290  1.000 9.081   ? 88  TYR AAA CZ  1 ? 
ATOM   705  O  OH  . TYR A 1 88  ? -12.959 10.578  25.441  1.000 10.684  ? 88  TYR AAA OH  1 ? 
ATOM   706  N  N   . ARG A 1 89  ? -16.251 11.325  17.557  1.000 9.493   ? 89  ARG AAA N   1 ? 
ATOM   707  C  CA  . ARG A 1 89  ? -16.632 11.201  16.127  1.000 10.358  ? 89  ARG AAA CA  1 ? 
ATOM   708  C  C   . ARG A 1 89  ? -15.985 9.999   15.487  1.000 9.444   ? 89  ARG AAA C   1 ? 
ATOM   709  O  O   . ARG A 1 89  ? -14.741 9.841   15.612  1.000 9.292   ? 89  ARG AAA O   1 ? 
ATOM   710  C  CB  . ARG A 1 89  ? -16.235 12.412  15.318  1.000 13.438  ? 89  ARG AAA CB  1 ? 
ATOM   711  C  CG  . ARG A 1 89  ? -17.077 13.632  15.417  1.000 20.144  ? 89  ARG AAA CG  1 ? 
ATOM   712  C  CD  . ARG A 1 89  ? -16.666 14.559  14.270  1.000 21.129  ? 89  ARG AAA CD  1 ? 
ATOM   713  N  NE  . ARG A 1 89  ? -17.283 15.752  14.723  1.000 23.021  ? 89  ARG AAA NE  1 ? 
ATOM   714  C  CZ  . ARG A 1 89  ? -16.937 16.953  14.382  1.000 27.767  ? 89  ARG AAA CZ  1 ? 
ATOM   715  N  NH1 . ARG A 1 89  ? -15.983 17.132  13.487  1.000 27.610  ? 89  ARG AAA NH1 1 ? 
ATOM   716  N  NH2 . ARG A 1 89  ? -17.535 17.966  14.979  1.000 33.683  ? 89  ARG AAA NH2 1 ? 
ATOM   717  N  N   . LEU A 1 90  ? -16.698 9.170   14.752  1.000 9.497   ? 90  LEU AAA N   1 ? 
ATOM   718  C  CA  . LEU A 1 90  ? -16.154 8.062   13.966  1.000 9.203   ? 90  LEU AAA CA  1 ? 
ATOM   719  C  C   . LEU A 1 90  ? -15.295 8.607   12.829  1.000 9.004   ? 90  LEU AAA C   1 ? 
ATOM   720  O  O   . LEU A 1 90  ? -15.807 9.384   12.007  1.000 11.654  ? 90  LEU AAA O   1 ? 
ATOM   721  C  CB  . LEU A 1 90  ? -17.288 7.206   13.417  1.000 10.233  ? 90  LEU AAA CB  1 ? 
ATOM   722  C  CG  . LEU A 1 90  ? -16.859 5.978   12.603  1.000 11.299  ? 90  LEU AAA CG  1 ? 
ATOM   723  C  CD1 . LEU A 1 90  ? -16.098 4.945   13.417  1.000 11.027  ? 90  LEU AAA CD1 1 ? 
ATOM   724  C  CD2 . LEU A 1 90  ? -18.101 5.401   11.943  1.000 11.744  ? 90  LEU AAA CD2 1 ? 
ATOM   725  N  N   . ILE A 1 91  ? -14.055 8.142   12.758  1.000 8.644   ? 91  ILE AAA N   1 ? 
ATOM   726  C  CA  . ILE A 1 91  ? -13.165 8.556   11.662  1.000 9.500   ? 91  ILE AAA CA  1 ? 
ATOM   727  C  C   . ILE A 1 91  ? -12.902 7.379   10.716  1.000 8.065   ? 91  ILE AAA C   1 ? 
ATOM   728  O  O   . ILE A 1 91  ? -12.796 7.576   9.499   1.000 8.981   ? 91  ILE AAA O   1 ? 
ATOM   729  C  CB  . ILE A 1 91  ? -11.848 9.188   12.189  1.000 11.081  ? 91  ILE AAA CB  1 ? 
ATOM   730  C  CG1 . ILE A 1 91  ? -10.905 9.552   11.024  1.000 14.358  ? 91  ILE AAA CG1 1 ? 
ATOM   731  C  CG2 . ILE A 1 91  ? -11.128 8.333   13.216  1.000 11.166  ? 91  ILE AAA CG2 1 ? 
ATOM   732  C  CD1 . ILE A 1 91  ? -9.674  10.364  11.408  1.000 18.655  ? 91  ILE AAA CD1 1 ? 
ATOM   733  N  N   . GLN A 1 92  ? -12.800 6.149   11.221  1.000 7.956   ? 92  GLN AAA N   1 ? 
ATOM   734  C  CA  . GLN A 1 92  ? -12.483 5.000   10.385  1.000 8.057   ? 92  GLN AAA CA  1 ? 
ATOM   735  C  C   . GLN A 1 92  ? -12.736 3.709   11.157  1.000 7.756   ? 92  GLN AAA C   1 ? 
ATOM   736  O  O   . GLN A 1 92  ? -12.786 3.755   12.409  1.000 7.838   ? 92  GLN AAA O   1 ? 
ATOM   737  C  CB  . GLN A 1 92  ? -11.047 4.985   9.909   1.000 9.421   ? 92  GLN AAA CB  1 ? 
ATOM   738  C  CG  . GLN A 1 92  ? -9.977  5.105   11.004  1.000 9.883   ? 92  GLN AAA CG  1 ? 
ATOM   739  C  CD  . GLN A 1 92  ? -9.233  3.843   11.253  1.000 8.357   ? 92  GLN AAA CD  1 ? 
ATOM   740  O  OE1 . GLN A 1 92  ? -9.742  2.746   11.167  1.000 10.156  ? 92  GLN AAA OE1 1 ? 
ATOM   741  N  NE2 . GLN A 1 92  ? -7.982  4.009   11.630  1.000 12.194  ? 92  GLN AAA NE2 1 ? 
ATOM   742  N  N   . PHE A 1 93  ? -12.909 2.614   10.440  1.000 7.830   ? 93  PHE AAA N   1 ? 
ATOM   743  C  CA  . PHE A 1 93  ? -12.790 1.315   11.057  1.000 7.566   ? 93  PHE AAA CA  1 ? 
ATOM   744  C  C   . PHE A 1 93  ? -11.820 0.466   10.239  1.000 6.876   ? 93  PHE AAA C   1 ? 
ATOM   745  O  O   . PHE A 1 93  ? -11.614 0.669   9.041   1.000 8.094   ? 93  PHE AAA O   1 ? 
ATOM   746  C  CB  . PHE A 1 93  ? -14.120 0.621   11.275  1.000 7.899   ? 93  PHE AAA CB  1 ? 
ATOM   747  C  CG  . PHE A 1 93  ? -14.868 0.128   10.064  1.000 8.175   ? 93  PHE AAA CG  1 ? 
ATOM   748  C  CD1 . PHE A 1 93  ? -14.495 -1.013  9.396   1.000 8.323   ? 93  PHE AAA CD1 1 ? 
ATOM   749  C  CD2 . PHE A 1 93  ? -15.997 0.825   9.605   1.000 9.089   ? 93  PHE AAA CD2 1 ? 
ATOM   750  C  CE1 . PHE A 1 93  ? -15.192 -1.471  8.298   1.000 8.167   ? 93  PHE AAA CE1 1 ? 
ATOM   751  C  CE2 . PHE A 1 93  ? -16.697 0.361   8.507   1.000 9.253   ? 93  PHE AAA CE2 1 ? 
ATOM   752  C  CZ  . PHE A 1 93  ? -16.297 -0.765  7.864   1.000 9.059   ? 93  PHE AAA CZ  1 ? 
ATOM   753  N  N   . HIS A 1 94  ? -11.296 -0.545  10.942  1.000 7.041   ? 94  HIS AAA N   1 ? 
ATOM   754  C  CA  . HIS A 1 94  ? -10.424 -1.546  10.345  1.000 8.075   ? 94  HIS AAA CA  1 ? 
ATOM   755  C  C   . HIS A 1 94  ? -10.518 -2.804  11.164  1.000 6.958   ? 94  HIS AAA C   1 ? 
ATOM   756  O  O   . HIS A 1 94  ? -11.113 -2.827  12.236  1.000 7.428   ? 94  HIS AAA O   1 ? 
ATOM   757  C  CB  . HIS A 1 94  ? -8.971  -1.019  10.264  1.000 7.689   ? 94  HIS AAA CB  1 ? 
ATOM   758  C  CG  . HIS A 1 94  ? -8.453  -0.699  11.601  1.000 7.523   ? 94  HIS AAA CG  1 ? 
ATOM   759  N  ND1 . HIS A 1 94  ? -8.602  0.487   12.239  1.000 7.265   ? 94  HIS AAA ND1 1 ? 
ATOM   760  C  CD2 . HIS A 1 94  ? -7.796  -1.496  12.497  1.000 8.366   ? 94  HIS AAA CD2 1 ? 
ATOM   761  C  CE1 . HIS A 1 94  ? -8.046  0.445   13.452  1.000 6.662   ? 94  HIS AAA CE1 1 ? 
ATOM   762  N  NE2 . HIS A 1 94  ? -7.603  -0.798  13.644  1.000 7.734   ? 94  HIS AAA NE2 1 ? 
ATOM   763  N  N   . PHE A 1 95  ? -9.781  -3.828  10.693  1.000 7.147   ? 95  PHE AAA N   1 ? 
ATOM   764  C  CA  . PHE A 1 95  ? -9.738  -5.116  11.384  1.000 6.849   ? 95  PHE AAA CA  1 ? 
ATOM   765  C  C   . PHE A 1 95  ? -8.262  -5.568  11.586  1.000 7.386   ? 95  PHE AAA C   1 ? 
ATOM   766  O  O   . PHE A 1 95  ? -7.373  -5.103  10.867  1.000 7.928   ? 95  PHE AAA O   1 ? 
ATOM   767  C  CB  . PHE A 1 95  ? -10.412 -6.214  10.541  1.000 6.826   ? 95  PHE AAA CB  1 ? 
ATOM   768  C  CG  . PHE A 1 95  ? -11.864 -5.924  10.198  1.000 8.005   ? 95  PHE AAA CG  1 ? 
ATOM   769  C  CD1 . PHE A 1 95  ? -12.228 -5.096  9.154   1.000 8.335   ? 95  PHE AAA CD1 1 ? 
ATOM   770  C  CD2 . PHE A 1 95  ? -12.909 -6.583  10.855  1.000 8.486   ? 95  PHE AAA CD2 1 ? 
ATOM   771  C  CE1 . PHE A 1 95  ? -13.554 -4.862  8.811   1.000 8.558   ? 95  PHE AAA CE1 1 ? 
ATOM   772  C  CE2 . PHE A 1 95  ? -14.257 -6.350  10.530  1.000 9.799   ? 95  PHE AAA CE2 1 ? 
ATOM   773  C  CZ  . PHE A 1 95  ? -14.532 -5.514  9.488   1.000 9.403   ? 95  PHE AAA CZ  1 ? 
ATOM   774  N  N   . HIS A 1 96  ? -8.123  -6.505  12.483  1.000 7.549   ? 96  HIS AAA N   1 ? 
ATOM   775  C  CA  . HIS A 1 96  ? -6.886  -7.306  12.662  1.000 7.234   ? 96  HIS AAA CA  1 ? 
ATOM   776  C  C   . HIS A 1 96  ? -7.316  -8.751  12.552  1.000 7.629   ? 96  HIS AAA C   1 ? 
ATOM   777  O  O   . HIS A 1 96  ? -8.417  -9.102  13.056  1.000 8.118   ? 96  HIS AAA O   1 ? 
ATOM   778  C  CB  . HIS A 1 96  ? -6.251  -7.022  14.017  1.000 7.667   ? 96  HIS AAA CB  1 ? 
ATOM   779  C  CG  . HIS A 1 96  ? -5.958  -5.628  14.270  1.000 7.827   ? 96  HIS AAA CG  1 ? 
ATOM   780  N  ND1 . HIS A 1 96  ? -4.694  -5.056  14.035  1.000 9.885   ? 96  HIS AAA ND1 1 ? 
ATOM   781  C  CD2 . HIS A 1 96  ? -6.716  -4.576  14.688  1.000 7.435   ? 96  HIS AAA CD2 1 ? 
ATOM   782  C  CE1 . HIS A 1 96  ? -4.758  -3.786  14.339  1.000 9.295   ? 96  HIS AAA CE1 1 ? 
ATOM   783  N  NE2 . HIS A 1 96  ? -6.018  -3.414  14.717  1.000 7.861   ? 96  HIS AAA NE2 1 ? 
ATOM   784  N  N   . TRP A 1 97  ? -6.565  -9.615  11.891  1.000 7.486   ? 97  TRP AAA N   1 ? 
ATOM   785  C  CA  . TRP A 1 97  ? -6.966  -10.997 11.690  1.000 7.266   ? 97  TRP AAA CA  1 ? 
ATOM   786  C  C   . TRP A 1 97  ? -5.764  -11.921 11.555  1.000 7.441   ? 97  TRP AAA C   1 ? 
ATOM   787  O  O   . TRP A 1 97  ? -4.602  -11.486 11.454  1.000 7.828   ? 97  TRP AAA O   1 ? 
ATOM   788  C  CB  . TRP A 1 97  ? -7.854  -11.097 10.455  1.000 8.271   ? 97  TRP AAA CB  1 ? 
ATOM   789  C  CG  . TRP A 1 97  ? -7.211  -10.721 9.164   1.000 7.929   ? 97  TRP AAA CG  1 ? 
ATOM   790  C  CD1 . TRP A 1 97  ? -6.529  -11.535 8.300   1.000 8.896   ? 97  TRP AAA CD1 1 ? 
ATOM   791  C  CD2 . TRP A 1 97  ? -7.142  -9.410  8.597   1.000 7.416   ? 97  TRP AAA CD2 1 ? 
ATOM   792  N  NE1 . TRP A 1 97  ? -6.068  -10.834 7.207   1.000 8.794   ? 97  TRP AAA NE1 1 ? 
ATOM   793  C  CE2 . TRP A 1 97  ? -6.465  -9.519  7.367   1.000 7.733   ? 97  TRP AAA CE2 1 ? 
ATOM   794  C  CE3 . TRP A 1 97  ? -7.614  -8.147  8.990   1.000 7.663   ? 97  TRP AAA CE3 1 ? 
ATOM   795  C  CZ2 . TRP A 1 97  ? -6.278  -8.426  6.540   1.000 8.471   ? 97  TRP AAA CZ2 1 ? 
ATOM   796  C  CZ3 . TRP A 1 97  ? -7.382  -7.073  8.188   1.000 7.634   ? 97  TRP AAA CZ3 1 ? 
ATOM   797  C  CH2 . TRP A 1 97  ? -6.745  -7.220  6.958   1.000 8.284   ? 97  TRP AAA CH2 1 ? 
ATOM   798  N  N   . GLY A 1 98  ? -6.051  -13.202 11.579  1.000 7.664   ? 98  GLY AAA N   1 ? 
ATOM   799  C  CA  . GLY A 1 98  ? -5.035  -14.234 11.619  1.000 8.386   ? 98  GLY AAA CA  1 ? 
ATOM   800  C  C   . GLY A 1 98  ? -4.857  -14.972 10.326  1.000 9.004   ? 98  GLY AAA C   1 ? 
ATOM   801  O  O   . GLY A 1 98  ? -5.640  -14.792 9.382   1.000 10.273  ? 98  GLY AAA O   1 ? 
ATOM   802  N  N   . SER A 1 99  ? -3.875  -15.850 10.317  1.000 9.881   ? 99  SER AAA N   1 ? 
ATOM   803  C  CA  . SER A 1 99  ? -3.669  -16.794 9.206   1.000 11.257  ? 99  SER AAA CA  1 ? 
ATOM   804  C  C   . SER A 1 99  ? -4.574  -18.024 9.345   1.000 11.072  ? 99  SER AAA C   1 ? 
ATOM   805  O  O   . SER A 1 99  ? -4.694  -18.737 8.393   1.000 14.881  ? 99  SER AAA O   1 ? 
ATOM   806  C  CB  . SER A 1 99  ? -2.196  -17.155 9.116   1.000 11.740  ? 99  SER AAA CB  1 ? 
ATOM   807  O  OG  . SER A 1 99  ? -1.712  -17.605 10.367  1.000 14.170  ? 99  SER AAA OG  1 ? 
ATOM   808  N  N   . LEU A 1 100 ? -5.049  -18.283 10.546  1.000 10.300  ? 100 LEU AAA N   1 ? 
ATOM   809  C  CA  . LEU A 1 100 ? -5.848  -19.456 10.924  1.000 12.434  ? 100 LEU AAA CA  1 ? 
ATOM   810  C  C   . LEU A 1 100 ? -6.976  -18.979 11.846  1.000 11.559  ? 100 LEU AAA C   1 ? 
ATOM   811  O  O   . LEU A 1 100 ? -6.830  -17.948 12.500  1.000 11.391  ? 100 LEU AAA O   1 ? 
ATOM   812  C  CB  . LEU A 1 100 ? -4.950  -20.503 11.649  1.000 17.657  ? 100 LEU AAA CB  1 ? 
ATOM   813  C  CG  . LEU A 1 100 ? -3.628  -20.972 11.017  1.000 19.238  ? 100 LEU AAA CG  1 ? 
ATOM   814  C  CD1 . LEU A 1 100 ? -2.573  -21.424 12.047  1.000 26.142  ? 100 LEU AAA CD1 1 ? 
ATOM   815  C  CD2 . LEU A 1 100 ? -4.089  -22.089 10.133  1.000 24.337  ? 100 LEU AAA CD2 1 ? 
ATOM   816  N  N   . ASP A 1 101 ? -8.063  -19.730 11.952  1.000 12.181  ? 101 ASP AAA N   1 ? 
ATOM   817  C  CA  . ASP A 1 101 ? -9.226  -19.209 12.704  1.000 11.902  ? 101 ASP AAA CA  1 ? 
ATOM   818  C  C   . ASP A 1 101 ? -8.962  -19.123 14.210  1.000 11.574  ? 101 ASP AAA C   1 ? 
ATOM   819  O  O   . ASP A 1 101 ? -9.656  -18.342 14.888  1.000 14.411  ? 101 ASP AAA O   1 ? 
ATOM   820  C  CB  . ASP A 1 101 ? -10.431 -20.078 12.476  1.000 14.439  ? 101 ASP AAA CB  1 ? 
ATOM   821  C  CG  . ASP A 1 101 ? -10.991 -20.138 11.062  1.000 18.126  ? 101 ASP AAA CG  1 ? 
ATOM   822  O  OD1 . ASP A 1 101 ? -10.554 -19.349 10.196  1.000 19.179  ? 101 ASP AAA OD1 1 ? 
ATOM   823  O  OD2 . ASP A 1 101 ? -11.902 -20.996 10.867  1.000 28.453  ? 101 ASP AAA OD2 1 ? 
ATOM   824  N  N   . GLY A 1 102 ? -7.937  -19.816 14.704  1.000 11.752  ? 102 GLY AAA N   1 ? 
ATOM   825  C  CA  . GLY A 1 102 ? -7.599  -19.796 16.149  1.000 13.341  ? 102 GLY AAA CA  1 ? 
ATOM   826  C  C   . GLY A 1 102 ? -6.751  -18.638 16.613  1.000 11.100  ? 102 GLY AAA C   1 ? 
ATOM   827  O  O   . GLY A 1 102 ? -6.394  -18.636 17.797  1.000 12.966  ? 102 GLY AAA O   1 ? 
ATOM   828  N  N   . GLN A 1 103 ? -6.515  -17.654 15.755  1.000 9.461   ? 103 GLN AAA N   1 ? 
ATOM   829  C  CA  A GLN A 1 103 ? -5.703  -16.479 16.130  0.500 8.738   ? 103 GLN AAA CA  1 ? 
ATOM   830  C  CA  B GLN A 1 103 ? -5.802  -16.448 16.219  0.500 9.016   ? 103 GLN AAA CA  1 ? 
ATOM   831  C  C   . GLN A 1 103 ? -6.194  -15.296 15.274  1.000 7.795   ? 103 GLN AAA C   1 ? 
ATOM   832  O  O   . GLN A 1 103 ? -6.744  -15.512 14.198  1.000 8.804   ? 103 GLN AAA O   1 ? 
ATOM   833  C  CB  A GLN A 1 103 ? -4.215  -16.732 15.906  0.500 9.411   ? 103 GLN AAA CB  1 ? 
ATOM   834  C  CB  B GLN A 1 103 ? -4.292  -16.671 16.337  0.500 9.223   ? 103 GLN AAA CB  1 ? 
ATOM   835  C  CG  A GLN A 1 103 ? -3.857  -16.959 14.450  0.500 9.968   ? 103 GLN AAA CG  1 ? 
ATOM   836  C  CG  B GLN A 1 103 ? -3.622  -16.957 14.999  0.500 11.150  ? 103 GLN AAA CG  1 ? 
ATOM   837  C  CD  A GLN A 1 103 ? -2.565  -17.728 14.365  0.500 9.746   ? 103 GLN AAA CD  1 ? 
ATOM   838  C  CD  B GLN A 1 103 ? -2.163  -17.310 15.164  0.500 10.782  ? 103 GLN AAA CD  1 ? 
ATOM   839  O  OE1 A GLN A 1 103 ? -2.432  -18.830 14.905  0.500 12.126  ? 103 GLN AAA OE1 1 ? 
ATOM   840  O  OE1 B GLN A 1 103 ? -1.761  -17.966 16.124  0.500 14.969  ? 103 GLN AAA OE1 1 ? 
ATOM   841  N  NE2 A GLN A 1 103 ? -1.631  -17.163 13.622  0.500 10.247  ? 103 GLN AAA NE2 1 ? 
ATOM   842  N  NE2 B GLN A 1 103 ? -1.332  -16.830 14.252  0.500 11.463  ? 103 GLN AAA NE2 1 ? 
ATOM   843  N  N   . GLY A 1 104 ? -5.855  -14.085 15.737  1.000 7.746   ? 104 GLY AAA N   1 ? 
ATOM   844  C  CA  . GLY A 1 104 ? -6.123  -12.878 14.938  1.000 8.047   ? 104 GLY AAA CA  1 ? 
ATOM   845  C  C   . GLY A 1 104 ? -6.635  -11.701 15.726  1.000 7.734   ? 104 GLY AAA C   1 ? 
ATOM   846  O  O   . GLY A 1 104 ? -6.372  -10.577 15.357  1.000 8.391   ? 104 GLY AAA O   1 ? 
ATOM   847  N  N   . SER A 1 105 ? -7.333  -11.969 16.860  1.000 7.408   ? 105 SER AAA N   1 ? 
ATOM   848  C  CA  . SER A 1 105 ? -7.723  -10.830 17.705  1.000 8.176   ? 105 SER AAA CA  1 ? 
ATOM   849  C  C   . SER A 1 105 ? -6.513  -10.282 18.454  1.000 6.947   ? 105 SER AAA C   1 ? 
ATOM   850  O  O   . SER A 1 105 ? -5.491  -10.950 18.650  1.000 8.857   ? 105 SER AAA O   1 ? 
ATOM   851  C  CB  . SER A 1 105 ? -8.835  -11.181 18.606  1.000 8.821   ? 105 SER AAA CB  1 ? 
ATOM   852  O  OG  . SER A 1 105 ? -8.500  -12.123 19.609  1.000 8.790   ? 105 SER AAA OG  1 ? 
ATOM   853  N  N   . GLU A 1 106 ? -6.667  -9.057  18.872  1.000 7.817   ? 106 GLU AAA N   1 ? 
ATOM   854  C  CA  . GLU A 1 106 ? -5.677  -8.331  19.684  1.000 7.626   ? 106 GLU AAA CA  1 ? 
ATOM   855  C  C   . GLU A 1 106 ? -5.979  -8.497  21.150  1.000 7.090   ? 106 GLU AAA C   1 ? 
ATOM   856  O  O   . GLU A 1 106 ? -5.178  -9.073  21.894  1.000 8.218   ? 106 GLU AAA O   1 ? 
ATOM   857  C  CB  . GLU A 1 106 ? -5.602  -6.885  19.245  1.000 8.182   ? 106 GLU AAA CB  1 ? 
ATOM   858  C  CG  . GLU A 1 106 ? -5.180  -6.748  17.802  1.000 9.495   ? 106 GLU AAA CG  1 ? 
ATOM   859  C  CD  . GLU A 1 106 ? -4.476  -5.481  17.482  1.000 8.608   ? 106 GLU AAA CD  1 ? 
ATOM   860  O  OE1 . GLU A 1 106 ? -5.038  -4.399  17.689  1.000 11.268  ? 106 GLU AAA OE1 1 ? 
ATOM   861  O  OE2 . GLU A 1 106 ? -3.295  -5.549  17.043  1.000 10.381  ? 106 GLU AAA OE2 1 ? 
ATOM   862  N  N   . HIS A 1 107 ? -7.190  -8.052  21.545  1.000 7.659   ? 107 HIS AAA N   1 ? 
ATOM   863  C  CA  . HIS A 1 107 ? -7.624  -8.405  22.867  1.000 7.646   ? 107 HIS AAA CA  1 ? 
ATOM   864  C  C   . HIS A 1 107 ? -7.935  -9.917  22.883  1.000 7.320   ? 107 HIS AAA C   1 ? 
ATOM   865  O  O   . HIS A 1 107 ? -8.258  -10.505 21.875  1.000 8.103   ? 107 HIS AAA O   1 ? 
ATOM   866  C  CB  . HIS A 1 107 ? -8.898  -7.600  23.223  1.000 8.256   ? 107 HIS AAA CB  1 ? 
ATOM   867  C  CG  . HIS A 1 107 ? -8.551  -6.147  23.379  1.000 7.743   ? 107 HIS AAA CG  1 ? 
ATOM   868  N  ND1 . HIS A 1 107 ? -8.606  -5.277  22.326  1.000 7.648   ? 107 HIS AAA ND1 1 ? 
ATOM   869  C  CD2 . HIS A 1 107 ? -8.112  -5.448  24.473  1.000 7.854   ? 107 HIS AAA CD2 1 ? 
ATOM   870  C  CE1 . HIS A 1 107 ? -8.151  -4.099  22.740  1.000 8.145   ? 107 HIS AAA CE1 1 ? 
ATOM   871  N  NE2 . HIS A 1 107 ? -7.861  -4.136  24.083  1.000 8.283   ? 107 HIS AAA NE2 1 ? 
ATOM   872  N  N   . THR A 1 108 ? -7.852  -10.466 24.091  1.000 7.667   ? 108 THR AAA N   1 ? 
ATOM   873  C  CA  . THR A 1 108 ? -8.184  -11.864 24.385  1.000 8.035   ? 108 THR AAA CA  1 ? 
ATOM   874  C  C   . THR A 1 108 ? -9.108  -11.873 25.598  1.000 7.803   ? 108 THR AAA C   1 ? 
ATOM   875  O  O   . THR A 1 108 ? -9.141  -10.910 26.380  1.000 8.925   ? 108 THR AAA O   1 ? 
ATOM   876  C  CB  . THR A 1 108 ? -6.938  -12.768 24.570  1.000 9.897   ? 108 THR AAA CB  1 ? 
ATOM   877  O  OG1 . THR A 1 108 ? -6.116  -12.243 25.622  1.000 10.453  ? 108 THR AAA OG1 1 ? 
ATOM   878  C  CG2 . THR A 1 108 ? -6.112  -12.837 23.304  1.000 10.835  ? 108 THR AAA CG2 1 ? 
ATOM   879  N  N   . VAL A 1 109 ? -9.881  -12.939 25.712  1.000 8.740   ? 109 VAL AAA N   1 ? 
ATOM   880  C  CA  . VAL A 1 109 ? -10.860 -13.061 26.805  1.000 8.782   ? 109 VAL AAA CA  1 ? 
ATOM   881  C  C   . VAL A 1 109 ? -10.518 -14.357 27.534  1.000 8.858   ? 109 VAL AAA C   1 ? 
ATOM   882  O  O   . VAL A 1 109 ? -10.653 -15.447 26.938  1.000 9.809   ? 109 VAL AAA O   1 ? 
ATOM   883  C  CB  . VAL A 1 109 ? -12.288 -13.063 26.288  1.000 10.061  ? 109 VAL AAA CB  1 ? 
ATOM   884  C  CG1 . VAL A 1 109 ? -13.298 -13.209 27.422  1.000 11.920  ? 109 VAL AAA CG1 1 ? 
ATOM   885  C  CG2 . VAL A 1 109 ? -12.536 -11.776 25.511  1.000 10.559  ? 109 VAL AAA CG2 1 ? 
ATOM   886  N  N   . ASP A 1 110 ? -10.040 -14.259 28.750  1.000 9.447   ? 110 ASP AAA N   1 ? 
ATOM   887  C  CA  . ASP A 1 110 ? -9.546  -15.455 29.449  1.000 10.212  ? 110 ASP AAA CA  1 ? 
ATOM   888  C  C   . ASP A 1 110 ? -8.579  -16.249 28.553  1.000 10.998  ? 110 ASP AAA C   1 ? 
ATOM   889  O  O   . ASP A 1 110 ? -8.619  -17.468 28.542  1.000 13.080  ? 110 ASP AAA O   1 ? 
ATOM   890  C  CB  . ASP A 1 110 ? -10.686 -16.307 29.957  1.000 11.970  ? 110 ASP AAA CB  1 ? 
ATOM   891  C  CG  . ASP A 1 110 ? -11.578 -15.585 30.951  1.000 12.976  ? 110 ASP AAA CG  1 ? 
ATOM   892  O  OD1 . ASP A 1 110 ? -11.096 -14.720 31.694  1.000 13.929  ? 110 ASP AAA OD1 1 ? 
ATOM   893  O  OD2 . ASP A 1 110 ? -12.779 -15.947 31.039  1.000 16.067  ? 110 ASP AAA OD2 1 ? 
ATOM   894  N  N   . LYS A 1 111 ? -7.703  -15.507 27.905  1.000 10.795  ? 111 LYS AAA N   1 ? 
ATOM   895  C  CA  . LYS A 1 111 ? -6.621  -15.999 27.027  1.000 11.375  ? 111 LYS AAA CA  1 ? 
ATOM   896  C  C   . LYS A 1 111 ? -7.156  -16.550 25.706  1.000 10.247  ? 111 LYS AAA C   1 ? 
ATOM   897  O  O   . LYS A 1 111 ? -6.373  -16.886 24.844  1.000 12.871  ? 111 LYS AAA O   1 ? 
ATOM   898  C  CB  . LYS A 1 111 ? -5.705  -16.994 27.757  1.000 13.772  ? 111 LYS AAA CB  1 ? 
ATOM   899  C  CG  . LYS A 1 111 ? -5.068  -16.499 29.024  1.000 16.402  ? 111 LYS AAA CG  1 ? 
ATOM   900  C  CD  . LYS A 1 111 ? -4.067  -15.382 28.740  1.000 22.687  ? 111 LYS AAA CD  1 ? 
ATOM   901  C  CE  . LYS A 1 111 ? -3.394  -14.762 29.953  1.000 26.837  ? 111 LYS AAA CE  1 ? 
ATOM   902  N  NZ  . LYS A 1 111 ? -2.434  -15.669 30.553  1.000 32.034  ? 111 LYS AAA NZ  1 ? 
ATOM   903  N  N   . LYS A 1 112 ? -8.480  -16.542 25.486  1.000 9.784   ? 112 LYS AAA N   1 ? 
ATOM   904  C  CA  . LYS A 1 112 ? -9.044  -16.952 24.190  1.000 12.230  ? 112 LYS AAA CA  1 ? 
ATOM   905  C  C   . LYS A 1 112 ? -8.729  -15.889 23.142  1.000 9.533   ? 112 LYS AAA C   1 ? 
ATOM   906  O  O   . LYS A 1 112 ? -9.065  -14.720 23.349  1.000 9.682   ? 112 LYS AAA O   1 ? 
ATOM   907  C  CB  . LYS A 1 112 ? -10.559 -17.115 24.258  1.000 13.343  ? 112 LYS AAA CB  1 ? 
ATOM   908  C  CG  . LYS A 1 112 ? -11.185 -17.590 22.971  1.000 14.764  ? 112 LYS AAA CG  1 ? 
ATOM   909  C  CD  . LYS A 1 112 ? -12.720 -17.630 23.015  1.000 18.003  ? 112 LYS AAA CD  1 ? 
ATOM   910  C  CE  . LYS A 1 112 ? -13.307 -17.755 21.644  1.000 18.622  ? 112 LYS AAA CE  1 ? 
ATOM   911  N  NZ  . LYS A 1 112 ? -13.166 -19.147 21.196  1.000 23.654  ? 112 LYS AAA NZ  1 ? 
ATOM   912  N  N   . LYS A 1 113 ? -8.224  -16.341 22.028  1.000 9.313   ? 113 LYS AAA N   1 ? 
ATOM   913  C  CA  A LYS A 1 113 ? -8.022  -15.535 20.802  0.570 10.326  ? 113 LYS AAA CA  1 ? 
ATOM   914  C  CA  B LYS A 1 113 ? -8.032  -15.517 20.819  0.430 9.753   ? 113 LYS AAA CA  1 ? 
ATOM   915  C  C   . LYS A 1 113 ? -9.199  -15.782 19.853  1.000 9.608   ? 113 LYS AAA C   1 ? 
ATOM   916  O  O   . LYS A 1 113 ? -9.550  -16.947 19.606  1.000 12.717  ? 113 LYS AAA O   1 ? 
ATOM   917  C  CB  A LYS A 1 113 ? -6.738  -15.934 20.078  0.570 10.928  ? 113 LYS AAA CB  1 ? 
ATOM   918  C  CB  B LYS A 1 113 ? -6.660  -15.837 20.234  0.430 10.126  ? 113 LYS AAA CB  1 ? 
ATOM   919  C  CG  A LYS A 1 113 ? -5.419  -15.752 20.824  0.570 11.304  ? 113 LYS AAA CG  1 ? 
ATOM   920  C  CG  B LYS A 1 113 ? -5.459  -15.512 21.122  0.430 10.359  ? 113 LYS AAA CG  1 ? 
ATOM   921  C  CD  A LYS A 1 113 ? -4.256  -16.181 19.999  0.570 11.397  ? 113 LYS AAA CD  1 ? 
ATOM   922  C  CD  B LYS A 1 113 ? -4.193  -16.142 20.644  0.430 9.425   ? 113 LYS AAA CD  1 ? 
ATOM   923  C  CE  A LYS A 1 113 ? -2.927  -15.776 20.584  0.570 11.382  ? 113 LYS AAA CE  1 ? 
ATOM   924  C  CE  B LYS A 1 113 ? -2.976  -15.517 21.276  0.430 9.999   ? 113 LYS AAA CE  1 ? 
ATOM   925  N  NZ  A LYS A 1 113 ? -2.626  -16.544 21.810  0.570 14.524  ? 113 LYS AAA NZ  1 ? 
ATOM   926  N  NZ  B LYS A 1 113 ? -1.738  -16.272 20.990  0.430 13.546  ? 113 LYS AAA NZ  1 ? 
ATOM   927  N  N   . TYR A 1 114 ? -9.759  -14.727 19.328  1.000 9.412   ? 114 TYR AAA N   1 ? 
ATOM   928  C  CA  . TYR A 1 114 ? -10.801 -14.822 18.288  1.000 9.221   ? 114 TYR AAA CA  1 ? 
ATOM   929  C  C   . TYR A 1 114 ? -10.125 -14.777 16.901  1.000 9.210   ? 114 TYR AAA C   1 ? 
ATOM   930  O  O   . TYR A 1 114 ? -8.926  -14.478 16.772  1.000 9.124   ? 114 TYR AAA O   1 ? 
ATOM   931  C  CB  . TYR A 1 114 ? -11.850 -13.730 18.438  1.000 9.031   ? 114 TYR AAA CB  1 ? 
ATOM   932  C  CG  . TYR A 1 114 ? -12.773 -13.956 19.592  1.000 9.205   ? 114 TYR AAA CG  1 ? 
ATOM   933  C  CD1 . TYR A 1 114 ? -12.503 -13.542 20.868  1.000 11.398  ? 114 TYR AAA CD1 1 ? 
ATOM   934  C  CD2 . TYR A 1 114 ? -13.957 -14.626 19.387  1.000 11.158  ? 114 TYR AAA CD2 1 ? 
ATOM   935  C  CE1 . TYR A 1 114 ? -13.378 -13.750 21.928  1.000 13.402  ? 114 TYR AAA CE1 1 ? 
ATOM   936  C  CE2 . TYR A 1 114 ? -14.830 -14.870 20.425  1.000 13.130  ? 114 TYR AAA CE2 1 ? 
ATOM   937  C  CZ  . TYR A 1 114 ? -14.567 -14.439 21.706  1.000 16.016  ? 114 TYR AAA CZ  1 ? 
ATOM   938  O  OH  . TYR A 1 114 ? -15.528 -14.643 22.680  1.000 23.205  ? 114 TYR AAA OH  1 ? 
ATOM   939  N  N   . ALA A 1 115 ? -10.893 -15.072 15.863  1.000 8.857   ? 115 ALA AAA N   1 ? 
ATOM   940  C  CA  . ALA A 1 115 ? -10.356 -15.091 14.482  1.000 8.521   ? 115 ALA AAA CA  1 ? 
ATOM   941  C  C   . ALA A 1 115 ? -9.917  -13.701 14.018  1.000 7.732   ? 115 ALA AAA C   1 ? 
ATOM   942  O  O   . ALA A 1 115 ? -9.095  -13.570 13.104  1.000 8.407   ? 115 ALA AAA O   1 ? 
ATOM   943  C  CB  . ALA A 1 115 ? -11.324 -15.725 13.567  1.000 9.814   ? 115 ALA AAA CB  1 ? 
ATOM   944  N  N   . ALA A 1 116 ? -10.571 -12.683 14.501  1.000 8.250   ? 116 ALA AAA N   1 ? 
ATOM   945  C  CA  . ALA A 1 116 ? -10.343 -11.327 14.065  1.000 7.659   ? 116 ALA AAA CA  1 ? 
ATOM   946  C  C   . ALA A 1 116 ? -10.934 -10.378 15.072  1.000 6.547   ? 116 ALA AAA C   1 ? 
ATOM   947  O  O   . ALA A 1 116 ? -11.676 -10.774 16.004  1.000 7.982   ? 116 ALA AAA O   1 ? 
ATOM   948  C  CB  . ALA A 1 116 ? -10.873 -11.056 12.659  1.000 7.678   ? 116 ALA AAA CB  1 ? 
ATOM   949  N  N   . GLU A 1 117 ? -10.607 -9.111  14.920  1.000 7.090   ? 117 GLU AAA N   1 ? 
ATOM   950  C  CA  . GLU A 1 117 ? -11.119 -8.017  15.775  1.000 7.280   ? 117 GLU AAA CA  1 ? 
ATOM   951  C  C   . GLU A 1 117 ? -11.314 -6.781  14.939  1.000 7.439   ? 117 GLU AAA C   1 ? 
ATOM   952  O  O   . GLU A 1 117 ? -10.440 -6.378  14.173  1.000 9.500   ? 117 GLU AAA O   1 ? 
ATOM   953  C  CB  . GLU A 1 117 ? -10.167 -7.772  16.944  1.000 8.332   ? 117 GLU AAA CB  1 ? 
ATOM   954  C  CG  . GLU A 1 117 ? -10.669 -6.803  17.994  1.000 8.979   ? 117 GLU AAA CG  1 ? 
ATOM   955  C  CD  . GLU A 1 117 ? -9.772  -6.726  19.231  1.000 8.457   ? 117 GLU AAA CD  1 ? 
ATOM   956  O  OE1 . GLU A 1 117 ? -9.104  -7.728  19.517  1.000 9.736   ? 117 GLU AAA OE1 1 ? 
ATOM   957  O  OE2 . GLU A 1 117 ? -9.669  -5.649  19.816  1.000 10.124  ? 117 GLU AAA OE2 1 ? 
ATOM   958  N  N   . LEU A 1 118 ? -12.519 -6.202  15.058  1.000 7.871   ? 118 LEU AAA N   1 ? 
ATOM   959  C  CA  . LEU A 1 118 ? -12.909 -4.943  14.426  1.000 8.385   ? 118 LEU AAA CA  1 ? 
ATOM   960  C  C   . LEU A 1 118 ? -12.744 -3.793  15.410  1.000 7.169   ? 118 LEU AAA C   1 ? 
ATOM   961  O  O   . LEU A 1 118 ? -13.094 -3.896  16.567  1.000 8.430   ? 118 LEU AAA O   1 ? 
ATOM   962  C  CB  . LEU A 1 118 ? -14.401 -5.055  14.045  1.000 8.559   ? 118 LEU AAA CB  1 ? 
ATOM   963  C  CG  . LEU A 1 118 ? -15.152 -3.766  13.660  1.000 8.471   ? 118 LEU AAA CG  1 ? 
ATOM   964  C  CD1 . LEU A 1 118 ? -14.572 -3.102  12.449  1.000 9.140   ? 118 LEU AAA CD1 1 ? 
ATOM   965  C  CD2 . LEU A 1 118 ? -16.612 -4.129  13.417  1.000 10.095  ? 118 LEU AAA CD2 1 ? 
ATOM   966  N  N   . HIS A 1 119 ? -12.074 -2.740  14.909  1.000 6.828   ? 119 HIS AAA N   1 ? 
ATOM   967  C  CA  . HIS A 1 119 ? -11.829 -1.498  15.628  1.000 6.808   ? 119 HIS AAA CA  1 ? 
ATOM   968  C  C   . HIS A 1 119 ? -12.482 -0.338  14.922  1.000 6.632   ? 119 HIS AAA C   1 ? 
ATOM   969  O  O   . HIS A 1 119 ? -12.156 -0.010  13.802  1.000 8.437   ? 119 HIS AAA O   1 ? 
ATOM   970  C  CB  . HIS A 1 119 ? -10.289 -1.229  15.713  1.000 6.936   ? 119 HIS AAA CB  1 ? 
ATOM   971  C  CG  . HIS A 1 119 ? -9.648  -2.202  16.575  1.000 7.726   ? 119 HIS AAA CG  1 ? 
ATOM   972  N  ND1 . HIS A 1 119 ? -8.224  -2.319  16.527  1.000 11.380  ? 119 HIS AAA ND1 1 ? 
ATOM   973  C  CD2 . HIS A 1 119 ? -10.112 -3.013  17.527  1.000 7.492   ? 119 HIS AAA CD2 1 ? 
ATOM   974  C  CE1 . HIS A 1 119 ? -7.958  -3.216  17.428  1.000 9.933   ? 119 HIS AAA CE1 1 ? 
ATOM   975  N  NE2 . HIS A 1 119 ? -9.059  -3.712  18.111  1.000 8.352   ? 119 HIS AAA NE2 1 ? 
ATOM   976  N  N   . LEU A 1 120 ? -13.504 0.214   15.611  1.000 7.572   ? 120 LEU AAA N   1 ? 
ATOM   977  C  CA  . LEU A 1 120 ? -14.149 1.467   15.174  1.000 7.720   ? 120 LEU AAA CA  1 ? 
ATOM   978  C  C   . LEU A 1 120 ? -13.562 2.618   15.984  1.000 8.781   ? 120 LEU AAA C   1 ? 
ATOM   979  O  O   . LEU A 1 120 ? -13.676 2.640   17.194  1.000 8.957   ? 120 LEU AAA O   1 ? 
ATOM   980  C  CB  . LEU A 1 120 ? -15.656 1.341   15.357  1.000 9.001   ? 120 LEU AAA CB  1 ? 
ATOM   981  C  CG  . LEU A 1 120 ? -16.364 0.272   14.520  1.000 9.797   ? 120 LEU AAA CG  1 ? 
ATOM   982  C  CD1 . LEU A 1 120 ? -17.214 -0.658  15.361  1.000 14.753  ? 120 LEU AAA CD1 1 ? 
ATOM   983  C  CD2 . LEU A 1 120 ? -17.204 0.944   13.425  1.000 12.016  ? 120 LEU AAA CD2 1 ? 
ATOM   984  N  N   . VAL A 1 121 ? -12.850 3.475   15.249  1.000 7.042   ? 121 VAL AAA N   1 ? 
ATOM   985  C  CA  . VAL A 1 121 ? -11.970 4.488   15.860  1.000 7.614   ? 121 VAL AAA CA  1 ? 
ATOM   986  C  C   . VAL A 1 121 ? -12.688 5.841   15.865  1.000 8.191   ? 121 VAL AAA C   1 ? 
ATOM   987  O  O   . VAL A 1 121 ? -13.164 6.278   14.808  1.000 8.250   ? 121 VAL AAA O   1 ? 
ATOM   988  C  CB  . VAL A 1 121 ? -10.647 4.584   15.090  1.000 7.757   ? 121 VAL AAA CB  1 ? 
ATOM   989  C  CG1 . VAL A 1 121 ? -9.742  5.635   15.741  1.000 9.492   ? 121 VAL AAA CG1 1 ? 
ATOM   990  C  CG2 . VAL A 1 121 ? -9.942  3.265   14.928  1.000 8.884   ? 121 VAL AAA CG2 1 ? 
ATOM   991  N  N   . HIS A 1 122 ? -12.748 6.427   17.055  1.000 7.876   ? 122 HIS AAA N   1 ? 
ATOM   992  C  CA  . HIS A 1 122 ? -13.411 7.717   17.254  1.000 8.284   ? 122 HIS AAA CA  1 ? 
ATOM   993  C  C   . HIS A 1 122 ? -12.521 8.691   17.997  1.000 7.705   ? 122 HIS AAA C   1 ? 
ATOM   994  O  O   . HIS A 1 122 ? -11.754 8.263   18.854  1.000 8.807   ? 122 HIS AAA O   1 ? 
ATOM   995  C  CB  . HIS A 1 122 ? -14.729 7.560   18.082  1.000 8.455   ? 122 HIS AAA CB  1 ? 
ATOM   996  C  CG  . HIS A 1 122 ? -15.617 6.430   17.700  1.000 8.643   ? 122 HIS AAA CG  1 ? 
ATOM   997  N  ND1 . HIS A 1 122 ? -15.300 5.086   17.924  1.000 8.942   ? 122 HIS AAA ND1 1 ? 
ATOM   998  C  CD2 . HIS A 1 122 ? -16.835 6.397   17.126  1.000 10.515  ? 122 HIS AAA CD2 1 ? 
ATOM   999  C  CE1 . HIS A 1 122 ? -16.336 4.338   17.494  1.000 8.760   ? 122 HIS AAA CE1 1 ? 
ATOM   1000 N  NE2 . HIS A 1 122 ? -17.220 5.113   16.942  1.000 9.476   ? 122 HIS AAA NE2 1 ? 
ATOM   1001 N  N   . TRP A 1 123 ? -12.652 9.969   17.705  1.000 8.064   ? 123 TRP AAA N   1 ? 
ATOM   1002 C  CA  . TRP A 1 123 ? -11.871 10.998  18.399  1.000 8.161   ? 123 TRP AAA CA  1 ? 
ATOM   1003 C  C   . TRP A 1 123 ? -12.732 12.016  19.099  1.000 7.832   ? 123 TRP AAA C   1 ? 
ATOM   1004 O  O   . TRP A 1 123 ? -13.830 12.370  18.653  1.000 10.021  ? 123 TRP AAA O   1 ? 
ATOM   1005 C  CB  . TRP A 1 123 ? -10.846 11.652  17.497  1.000 9.522   ? 123 TRP AAA CB  1 ? 
ATOM   1006 C  CG  . TRP A 1 123 ? -11.447 12.332  16.296  1.000 11.055  ? 123 TRP AAA CG  1 ? 
ATOM   1007 C  CD1 . TRP A 1 123 ? -11.742 11.778  15.088  1.000 11.594  ? 123 TRP AAA CD1 1 ? 
ATOM   1008 C  CD2 . TRP A 1 123 ? -11.741 13.734  16.151  1.000 10.849  ? 123 TRP AAA CD2 1 ? 
ATOM   1009 N  NE1 . TRP A 1 123 ? -12.259 12.686  14.213  1.000 12.151  ? 123 TRP AAA NE1 1 ? 
ATOM   1010 C  CE2 . TRP A 1 123 ? -12.248 13.911  14.841  1.000 11.373  ? 123 TRP AAA CE2 1 ? 
ATOM   1011 C  CE3 . TRP A 1 123 ? -11.605 14.854  16.974  1.000 13.038  ? 123 TRP AAA CE3 1 ? 
ATOM   1012 C  CZ2 . TRP A 1 123 ? -12.673 15.155  14.364  1.000 13.837  ? 123 TRP AAA CZ2 1 ? 
ATOM   1013 C  CZ3 . TRP A 1 123 ? -12.032 16.074  16.498  1.000 14.674  ? 123 TRP AAA CZ3 1 ? 
ATOM   1014 C  CH2 . TRP A 1 123 ? -12.548 16.226  15.210  1.000 15.778  ? 123 TRP AAA CH2 1 ? 
ATOM   1015 N  N   . ASN A 1 124 ? -12.227 12.537  20.228  1.000 9.592   ? 124 ASN AAA N   1 ? 
ATOM   1016 C  CA  . ASN A 1 124 ? -12.938 13.463  21.114  1.000 9.325   ? 124 ASN AAA CA  1 ? 
ATOM   1017 C  C   . ASN A 1 124 ? -12.973 14.846  20.499  1.000 9.385   ? 124 ASN AAA C   1 ? 
ATOM   1018 O  O   . ASN A 1 124 ? -11.947 15.480  20.321  1.000 10.703  ? 124 ASN AAA O   1 ? 
ATOM   1019 C  CB  . ASN A 1 124 ? -12.189 13.438  22.432  1.000 10.928  ? 124 ASN AAA CB  1 ? 
ATOM   1020 C  CG  . ASN A 1 124 ? -12.904 14.102  23.543  1.000 10.455  ? 124 ASN AAA CG  1 ? 
ATOM   1021 O  OD1 . ASN A 1 124 ? -13.718 14.994  23.239  1.000 12.101  ? 124 ASN AAA OD1 1 ? 
ATOM   1022 N  ND2 . ASN A 1 124 ? -12.646 13.659  24.784  1.000 12.355  ? 124 ASN AAA ND2 1 ? 
ATOM   1023 N  N   . THR A 1 125 ? -14.185 15.294  20.209  1.000 10.836  ? 125 THR AAA N   1 ? 
ATOM   1024 C  CA  . THR A 1 125 ? -14.389 16.564  19.469  1.000 13.040  ? 125 THR AAA CA  1 ? 
ATOM   1025 C  C   . THR A 1 125 ? -13.848 17.748  20.272  1.000 12.311  ? 125 THR AAA C   1 ? 
ATOM   1026 O  O   . THR A 1 125 ? -13.607 18.794  19.674  1.000 14.447  ? 125 THR AAA O   1 ? 
ATOM   1027 C  CB  . THR A 1 125 ? -15.817 16.714  18.959  1.000 15.928  ? 125 THR AAA CB  1 ? 
ATOM   1028 O  OG1 . THR A 1 125 ? -16.566 16.830  20.152  1.000 18.650  ? 125 THR AAA OG1 1 ? 
ATOM   1029 C  CG2 . THR A 1 125 ? -16.225 15.576  18.055  1.000 18.326  ? 125 THR AAA CG2 1 ? 
ATOM   1030 N  N   . LYS A 1 126 ? -13.623 17.620  21.671  1.000 11.346  ? 127 LYS AAA N   1 ? 
ATOM   1031 C  CA  . LYS A 1 126 ? -13.144 18.807  22.384  1.000 14.580  ? 127 LYS AAA CA  1 ? 
ATOM   1032 C  C   . LYS A 1 126 ? -11.743 19.162  21.911  1.000 12.388  ? 127 LYS AAA C   1 ? 
ATOM   1033 O  O   . LYS A 1 126 ? -11.324 20.256  22.226  1.000 15.182  ? 127 LYS AAA O   1 ? 
ATOM   1034 C  CB  . LYS A 1 126 ? -13.254 18.576  23.892  1.000 16.139  ? 127 LYS AAA CB  1 ? 
ATOM   1035 C  CG  . LYS A 1 126 ? -12.221 17.676  24.498  1.000 17.176  ? 127 LYS AAA CG  1 ? 
ATOM   1036 C  CD  . LYS A 1 126 ? -12.438 17.334  25.974  1.000 25.386  ? 127 LYS AAA CD  1 ? 
ATOM   1037 C  CE  . LYS A 1 126 ? -11.858 18.391  26.884  1.000 30.137  ? 127 LYS AAA CE  1 ? 
ATOM   1038 N  NZ  . LYS A 1 126 ? -12.058 18.015  28.309  1.000 48.695  ? 127 LYS AAA NZ  1 ? 
ATOM   1039 N  N   . TYR A 1 127 ? -11.012 18.252  21.256  1.000 10.414  ? 128 TYR AAA N   1 ? 
ATOM   1040 C  CA  . TYR A 1 127 ? -9.638  18.528  20.795  1.000 11.054  ? 128 TYR AAA CA  1 ? 
ATOM   1041 C  C   . TYR A 1 127 ? -9.579  18.992  19.316  1.000 11.540  ? 128 TYR AAA C   1 ? 
ATOM   1042 O  O   . TYR A 1 127 ? -8.488  19.279  18.805  1.000 12.706  ? 128 TYR AAA O   1 ? 
ATOM   1043 C  CB  . TYR A 1 127 ? -8.733  17.320  21.069  1.000 11.434  ? 128 TYR AAA CB  1 ? 
ATOM   1044 C  CG  . TYR A 1 127 ? -8.680  16.994  22.540  1.000 11.611  ? 128 TYR AAA CG  1 ? 
ATOM   1045 C  CD1 . TYR A 1 127 ? -8.297  17.944  23.491  1.000 13.192  ? 128 TYR AAA CD1 1 ? 
ATOM   1046 C  CD2 . TYR A 1 127 ? -9.062  15.736  22.993  1.000 10.955  ? 128 TYR AAA CD2 1 ? 
ATOM   1047 C  CE1 . TYR A 1 127 ? -8.336  17.640  24.850  1.000 13.660  ? 128 TYR AAA CE1 1 ? 
ATOM   1048 C  CE2 . TYR A 1 127 ? -9.073  15.416  24.338  1.000 11.711  ? 128 TYR AAA CE2 1 ? 
ATOM   1049 C  CZ  . TYR A 1 127 ? -8.678  16.360  25.269  1.000 13.995  ? 128 TYR AAA CZ  1 ? 
ATOM   1050 O  OH  . TYR A 1 127 ? -8.732  16.104  26.604  1.000 16.135  ? 128 TYR AAA OH  1 ? 
ATOM   1051 N  N   . GLY A 1 128 ? -10.724 19.130  18.654  1.000 11.202  ? 129 GLY AAA N   1 ? 
ATOM   1052 C  CA  . GLY A 1 128 ? -10.763 19.842  17.370  1.000 11.463  ? 129 GLY AAA CA  1 ? 
ATOM   1053 C  C   . GLY A 1 128 ? -10.326 19.006  16.151  1.000 11.557  ? 129 GLY AAA C   1 ? 
ATOM   1054 O  O   . GLY A 1 128 ? -10.910 19.143  15.075  1.000 13.086  ? 129 GLY AAA O   1 ? 
ATOM   1055 N  N   . ASP A 1 129 ? -9.240  18.251  16.210  1.000 11.926  ? 130 ASP AAA N   1 ? 
ATOM   1056 C  CA  . ASP A 1 129 ? -8.854  17.343  15.107  1.000 11.657  ? 130 ASP AAA CA  1 ? 
ATOM   1057 C  C   . ASP A 1 129 ? -8.183  16.101  15.712  1.000 10.337  ? 130 ASP AAA C   1 ? 
ATOM   1058 O  O   . ASP A 1 129 ? -7.776  16.082  16.896  1.000 11.486  ? 130 ASP AAA O   1 ? 
ATOM   1059 C  CB  . ASP A 1 129 ? -7.964  18.063  14.066  1.000 14.288  ? 130 ASP AAA CB  1 ? 
ATOM   1060 C  CG  . ASP A 1 129 ? -6.583  18.493  14.540  1.000 16.281  ? 130 ASP AAA CG  1 ? 
ATOM   1061 O  OD1 . ASP A 1 129 ? -5.728  17.617  14.776  1.000 17.036  ? 130 ASP AAA OD1 1 ? 
ATOM   1062 O  OD2 . ASP A 1 129 ? -6.323  19.705  14.561  1.000 18.417  ? 130 ASP AAA OD2 1 ? 
ATOM   1063 N  N   . PHE A 1 130 ? -8.107  15.083  14.885  1.000 10.788  ? 131 PHE AAA N   1 ? 
ATOM   1064 C  CA  . PHE A 1 130 ? -7.623  13.752  15.295  1.000 10.773  ? 131 PHE AAA CA  1 ? 
ATOM   1065 C  C   . PHE A 1 130 ? -6.166  13.841  15.720  1.000 10.994  ? 131 PHE AAA C   1 ? 
ATOM   1066 O  O   . PHE A 1 130 ? -5.806  13.208  16.686  1.000 10.676  ? 131 PHE AAA O   1 ? 
ATOM   1067 C  CB  . PHE A 1 130 ? -7.813  12.788  14.132  1.000 11.540  ? 131 PHE AAA CB  1 ? 
ATOM   1068 C  CG  . PHE A 1 130 ? -7.260  11.416  14.369  1.000 10.860  ? 131 PHE AAA CG  1 ? 
ATOM   1069 C  CD1 . PHE A 1 130 ? -8.087  10.497  14.958  1.000 11.823  ? 131 PHE AAA CD1 1 ? 
ATOM   1070 C  CD2 . PHE A 1 130 ? -5.968  11.051  14.101  1.000 14.330  ? 131 PHE AAA CD2 1 ? 
ATOM   1071 C  CE1 . PHE A 1 130 ? -7.666  9.202   15.187  1.000 12.391  ? 131 PHE AAA CE1 1 ? 
ATOM   1072 C  CE2 . PHE A 1 130 ? -5.570  9.760   14.333  1.000 15.722  ? 131 PHE AAA CE2 1 ? 
ATOM   1073 C  CZ  . PHE A 1 130 ? -6.412  8.841   14.892  1.000 15.480  ? 131 PHE AAA CZ  1 ? 
ATOM   1074 N  N   . GLY A 1 131 ? -5.348  14.631  15.011  1.000 11.793  ? 132 GLY AAA N   1 ? 
ATOM   1075 C  CA  . GLY A 1 131 ? -3.937  14.730  15.379  1.000 11.473  ? 132 GLY AAA CA  1 ? 
ATOM   1076 C  C   . GLY A 1 131 ? -3.736  15.341  16.754  1.000 10.690  ? 132 GLY AAA C   1 ? 
ATOM   1077 O  O   . GLY A 1 131 ? -2.747  15.023  17.387  1.000 14.138  ? 132 GLY AAA O   1 ? 
ATOM   1078 N  N   . LYS A 1 132 ? -4.573  16.321  17.137  1.000 10.754  ? 133 LYS AAA N   1 ? 
ATOM   1079 C  CA  A LYS A 1 132 ? -4.519  16.878  18.498  1.000 11.654  ? 133 LYS AAA CA  1 ? 
ATOM   1080 C  C   . LYS A 1 132 ? -5.006  15.817  19.492  1.000 9.576   ? 133 LYS AAA C   1 ? 
ATOM   1081 O  O   . LYS A 1 132 ? -4.519  15.716  20.616  1.000 11.493  ? 133 LYS AAA O   1 ? 
ATOM   1082 C  CB  A LYS A 1 132 ? -5.300  18.177  18.625  1.000 13.468  ? 133 LYS AAA CB  1 ? 
ATOM   1083 C  CG  A LYS A 1 132 ? -4.766  19.361  17.848  1.000 17.336  ? 133 LYS AAA CG  1 ? 
ATOM   1084 C  CD  A LYS A 1 132 ? -3.435  19.784  18.395  1.000 23.498  ? 133 LYS AAA CD  1 ? 
ATOM   1085 C  CE  A LYS A 1 132 ? -2.227  19.280  17.627  1.000 43.349  ? 133 LYS AAA CE  1 ? 
ATOM   1086 N  NZ  A LYS A 1 132 ? -1.003  20.084  17.901  1.000 66.701  ? 133 LYS AAA NZ  1 ? 
ATOM   1087 N  N   . ALA A 1 133 ? -6.062  15.111  19.119  1.000 9.786   ? 134 ALA AAA N   1 ? 
ATOM   1088 C  CA  . ALA A 1 133 ? -6.691  14.138  20.044  1.000 9.618   ? 134 ALA AAA CA  1 ? 
ATOM   1089 C  C   . ALA A 1 133 ? -5.702  13.036  20.446  1.000 9.116   ? 134 ALA AAA C   1 ? 
ATOM   1090 O  O   . ALA A 1 133 ? -5.749  12.643  21.629  1.000 10.231  ? 134 ALA AAA O   1 ? 
ATOM   1091 C  CB  . ALA A 1 133 ? -7.954  13.560  19.446  1.000 9.544   ? 134 ALA AAA CB  1 ? 
ATOM   1092 N  N   . VAL A 1 134 ? -4.871  12.561  19.514  1.000 10.300  ? 135 VAL AAA N   1 ? 
ATOM   1093 C  CA  . VAL A 1 134 ? -3.954  11.459  19.887  1.000 10.240  ? 135 VAL AAA CA  1 ? 
ATOM   1094 C  C   . VAL A 1 134 ? -2.880  11.880  20.911  1.000 10.434  ? 135 VAL AAA C   1 ? 
ATOM   1095 O  O   . VAL A 1 134 ? -2.196  11.002  21.404  1.000 11.498  ? 135 VAL AAA O   1 ? 
ATOM   1096 C  CB  . VAL A 1 134 ? -3.341  10.772  18.662  1.000 12.415  ? 135 VAL AAA CB  1 ? 
ATOM   1097 C  CG1 . VAL A 1 134 ? -4.382  10.143  17.790  1.000 12.789  ? 135 VAL AAA CG1 1 ? 
ATOM   1098 C  CG2 . VAL A 1 134 ? -2.426  11.681  17.861  1.000 12.246  ? 135 VAL AAA CG2 1 ? 
ATOM   1099 N  N   . GLN A 1 135 ? -2.777  13.157  21.181  1.000 10.567  ? 136 GLN AAA N   1 ? 
ATOM   1100 C  CA  . GLN A 1 135 ? -1.790  13.687  22.132  1.000 12.170  ? 136 GLN AAA CA  1 ? 
ATOM   1101 C  C   . GLN A 1 135 ? -2.399  13.777  23.526  1.000 11.967  ? 136 GLN AAA C   1 ? 
ATOM   1102 O  O   . GLN A 1 135 ? -1.733  14.347  24.381  1.000 14.318  ? 136 GLN AAA O   1 ? 
ATOM   1103 C  CB  . GLN A 1 135 ? -1.213  15.041  21.694  1.000 14.259  ? 136 GLN AAA CB  1 ? 
ATOM   1104 C  CG  . GLN A 1 135 ? -0.617  14.966  20.298  1.000 16.155  ? 136 GLN AAA CG  1 ? 
ATOM   1105 C  CD  . GLN A 1 135 ? -0.088  16.276  19.778  1.000 22.807  ? 136 GLN AAA CD  1 ? 
ATOM   1106 O  OE1 . GLN A 1 135 ? 0.822   16.867  20.369  1.000 30.937  ? 136 GLN AAA OE1 1 ? 
ATOM   1107 N  NE2 . GLN A 1 135 ? -0.612  16.709  18.631  1.000 24.046  ? 136 GLN AAA NE2 1 ? 
ATOM   1108 N  N   . GLN A 1 136 ? -3.676  13.359  23.696  1.000 10.764  ? 137 GLN AAA N   1 ? 
ATOM   1109 C  CA  . GLN A 1 136 ? -4.359  13.510  24.986  1.000 10.005  ? 137 GLN AAA CA  1 ? 
ATOM   1110 C  C   . GLN A 1 136 ? -4.733  12.133  25.562  1.000 9.193   ? 137 GLN AAA C   1 ? 
ATOM   1111 O  O   . GLN A 1 136 ? -5.095  11.217  24.812  1.000 10.842  ? 137 GLN AAA O   1 ? 
ATOM   1112 C  CB  . GLN A 1 136 ? -5.650  14.287  24.781  1.000 11.585  ? 137 GLN AAA CB  1 ? 
ATOM   1113 C  CG  . GLN A 1 136 ? -5.460  15.558  23.993  1.000 14.843  ? 137 GLN AAA CG  1 ? 
ATOM   1114 C  CD  . GLN A 1 136 ? -4.477  16.465  24.615  1.000 15.798  ? 137 GLN AAA CD  1 ? 
ATOM   1115 O  OE1 . GLN A 1 136 ? -4.381  16.615  25.836  1.000 22.719  ? 137 GLN AAA OE1 1 ? 
ATOM   1116 N  NE2 . GLN A 1 136 ? -3.836  17.225  23.722  1.000 27.674  ? 137 GLN AAA NE2 1 ? 
ATOM   1117 N  N   . PRO A 1 137 ? -4.746  12.003  26.897  1.000 10.038  ? 138 PRO AAA N   1 ? 
ATOM   1118 C  CA  A PRO A 1 137 ? -5.044  10.717  27.510  1.000 11.268  ? 138 PRO AAA CA  1 ? 
ATOM   1119 C  C   . PRO A 1 137 ? -6.478  10.224  27.225  1.000 11.712  ? 138 PRO AAA C   1 ? 
ATOM   1120 O  O   . PRO A 1 137 ? -6.723  9.039   27.231  1.000 15.187  ? 138 PRO AAA O   1 ? 
ATOM   1121 C  CB  A PRO A 1 137 ? -4.834  10.912  29.010  1.000 13.382  ? 138 PRO AAA CB  1 ? 
ATOM   1122 C  CG  A PRO A 1 137 ? -4.640  12.371  29.207  1.000 19.798  ? 138 PRO AAA CG  1 ? 
ATOM   1123 C  CD  A PRO A 1 137 ? -4.243  12.983  27.878  1.000 13.417  ? 138 PRO AAA CD  1 ? 
ATOM   1124 N  N   . ASP A 1 138 ? -7.365  11.171  26.997  1.000 10.517  ? 139 ASP AAA N   1 ? 
ATOM   1125 C  CA  . ASP A 1 138 ? -8.774  10.914  26.680  1.000 10.427  ? 139 ASP AAA CA  1 ? 
ATOM   1126 C  C   . ASP A 1 138 ? -9.089  11.305  25.251  1.000 9.366   ? 139 ASP AAA C   1 ? 
ATOM   1127 O  O   . ASP A 1 138 ? -10.223 11.683  24.958  1.000 11.910  ? 139 ASP AAA O   1 ? 
ATOM   1128 C  CB  . ASP A 1 138 ? -9.721  11.523  27.695  1.000 12.896  ? 139 ASP AAA CB  1 ? 
ATOM   1129 C  CG  . ASP A 1 138 ? -9.628  13.012  27.752  1.000 14.200  ? 139 ASP AAA CG  1 ? 
ATOM   1130 O  OD1 . ASP A 1 138 ? -8.679  13.573  27.094  1.000 15.689  ? 139 ASP AAA OD1 1 ? 
ATOM   1131 O  OD2 . ASP A 1 138 ? -10.473 13.625  28.408  1.000 20.223  ? 139 ASP AAA OD2 1 ? 
ATOM   1132 N  N   . GLY A 1 139 ? -8.204  11.191  24.324  1.000 8.912   ? 140 GLY AAA N   1 ? 
ATOM   1133 C  CA  . GLY A 1 139 ? -8.399  11.665  22.965  1.000 8.758   ? 140 GLY AAA CA  1 ? 
ATOM   1134 C  C   . GLY A 1 139 ? -9.211  10.774  22.053  1.000 7.638   ? 140 GLY AAA C   1 ? 
ATOM   1135 O  O   . GLY A 1 139 ? -9.882  11.284  21.176  1.000 8.830   ? 140 GLY AAA O   1 ? 
ATOM   1136 N  N   . LEU A 1 140 ? -9.059  9.483   22.241  1.000 8.399   ? 141 LEU AAA N   1 ? 
ATOM   1137 C  CA  . LEU A 1 140 ? -9.714  8.508   21.321  1.000 9.290   ? 141 LEU AAA CA  1 ? 
ATOM   1138 C  C   . LEU A 1 140 ? -10.549 7.522   22.112  1.000 7.750   ? 141 LEU AAA C   1 ? 
ATOM   1139 O  O   . LEU A 1 140 ? -10.319 7.283   23.291  1.000 8.087   ? 141 LEU AAA O   1 ? 
ATOM   1140 C  CB  . LEU A 1 140 ? -8.689  7.678   20.547  1.000 10.923  ? 141 LEU AAA CB  1 ? 
ATOM   1141 C  CG  . LEU A 1 140 ? -7.921  8.342   19.453  1.000 13.292  ? 141 LEU AAA CG  1 ? 
ATOM   1142 C  CD1 . LEU A 1 140 ? -7.110  7.295   18.659  1.000 11.380  ? 141 LEU AAA CD1 1 ? 
ATOM   1143 C  CD2 . LEU A 1 140 ? -8.324  9.485   18.671  1.000 17.890  ? 141 LEU AAA CD2 1 ? 
ATOM   1144 N  N   . ALA A 1 141 ? -11.581 7.019   21.421  1.000 8.045   ? 142 ALA AAA N   1 ? 
ATOM   1145 C  CA  . ALA A 1 141 ? -12.382 5.897   21.945  1.000 7.953   ? 142 ALA AAA CA  1 ? 
ATOM   1146 C  C   . ALA A 1 141 ? -12.428 4.880   20.837  1.000 7.316   ? 142 ALA AAA C   1 ? 
ATOM   1147 O  O   . ALA A 1 141 ? -12.821 5.229   19.725  1.000 8.032   ? 142 ALA AAA O   1 ? 
ATOM   1148 C  CB  . ALA A 1 141 ? -13.771 6.337   22.347  1.000 8.955   ? 142 ALA AAA CB  1 ? 
ATOM   1149 N  N   . VAL A 1 142 ? -11.947 3.665   21.119  1.000 7.923   ? 143 VAL AAA N   1 ? 
ATOM   1150 C  CA  . VAL A 1 142 ? -12.022 2.623   20.095  1.000 7.968   ? 143 VAL AAA CA  1 ? 
ATOM   1151 C  C   . VAL A 1 142 ? -12.942 1.530   20.593  1.000 7.360   ? 143 VAL AAA C   1 ? 
ATOM   1152 O  O   . VAL A 1 142 ? -12.808 1.053   21.725  1.000 7.586   ? 143 VAL AAA O   1 ? 
ATOM   1153 C  CB  . VAL A 1 142 ? -10.633 2.051   19.720  1.000 8.429   ? 143 VAL AAA CB  1 ? 
ATOM   1154 C  CG1 . VAL A 1 142 ? -10.776 1.059   18.595  1.000 9.088   ? 143 VAL AAA CG1 1 ? 
ATOM   1155 C  CG2 . VAL A 1 142 ? -9.678  3.156   19.288  1.000 9.543   ? 143 VAL AAA CG2 1 ? 
ATOM   1156 N  N   . LEU A 1 143 ? -13.965 1.271   19.764  1.000 7.715   ? 144 LEU AAA N   1 ? 
ATOM   1157 C  CA  . LEU A 1 143 ? -14.934 0.202   19.995  1.000 8.632   ? 144 LEU AAA CA  1 ? 
ATOM   1158 C  C   . LEU A 1 143 ? -14.383 -1.064  19.316  1.000 8.065   ? 144 LEU AAA C   1 ? 
ATOM   1159 O  O   . LEU A 1 143 ? -14.229 -1.048  18.095  1.000 8.810   ? 144 LEU AAA O   1 ? 
ATOM   1160 C  CB  . LEU A 1 143 ? -16.274 0.650   19.404  1.000 9.513   ? 144 LEU AAA CB  1 ? 
ATOM   1161 C  CG  . LEU A 1 143 ? -17.463 -0.260  19.629  1.000 10.639  ? 144 LEU AAA CG  1 ? 
ATOM   1162 C  CD1 . LEU A 1 143 ? -17.704 -0.566  21.081  1.000 14.374  ? 144 LEU AAA CD1 1 ? 
ATOM   1163 C  CD2 . LEU A 1 143 ? -18.708 0.367   18.982  1.000 12.259  ? 144 LEU AAA CD2 1 ? 
ATOM   1164 N  N   . GLY A 1 144 ? -14.099 -2.062  20.129  1.000 7.770   ? 145 GLY AAA N   1 ? 
ATOM   1165 C  CA  . GLY A 1 144 ? -13.538 -3.332  19.652  1.000 8.158   ? 145 GLY AAA CA  1 ? 
ATOM   1166 C  C   . GLY A 1 144 ? -14.626 -4.411  19.662  1.000 7.727   ? 145 GLY AAA C   1 ? 
ATOM   1167 O  O   . GLY A 1 144 ? -15.328 -4.540  20.674  1.000 8.603   ? 145 GLY AAA O   1 ? 
ATOM   1168 N  N   . ILE A 1 145 ? -14.681 -5.131  18.556  1.000 7.295   ? 146 ILE AAA N   1 ? 
ATOM   1169 C  CA  . ILE A 1 145 ? -15.707 -6.176  18.382  1.000 7.692   ? 146 ILE AAA CA  1 ? 
ATOM   1170 C  C   . ILE A 1 145 ? -14.981 -7.429  17.910  1.000 7.357   ? 146 ILE AAA C   1 ? 
ATOM   1171 O  O   . ILE A 1 145 ? -14.249 -7.376  16.871  1.000 7.832   ? 146 ILE AAA O   1 ? 
ATOM   1172 C  CB  . ILE A 1 145 ? -16.797 -5.714  17.409  1.000 8.345   ? 146 ILE AAA CB  1 ? 
ATOM   1173 C  CG1 . ILE A 1 145 ? -17.454 -4.409  17.894  1.000 10.581  ? 146 ILE AAA CG1 1 ? 
ATOM   1174 C  CG2 . ILE A 1 145 ? -17.810 -6.810  17.166  1.000 12.364  ? 146 ILE AAA CG2 1 ? 
ATOM   1175 C  CD1 . ILE A 1 145 ? -18.526 -3.832  17.037  1.000 9.722   ? 146 ILE AAA CD1 1 ? 
ATOM   1176 N  N   . PHE A 1 146 ? -15.159 -8.545  18.576  1.000 7.479   ? 147 PHE AAA N   1 ? 
ATOM   1177 C  CA  . PHE A 1 146 ? -14.543 -9.803  18.182  1.000 7.877   ? 147 PHE AAA CA  1 ? 
ATOM   1178 C  C   . PHE A 1 146 ? -15.282 -10.432 17.028  1.000 8.444   ? 147 PHE AAA C   1 ? 
ATOM   1179 O  O   . PHE A 1 146 ? -16.524 -10.345 16.968  1.000 9.325   ? 147 PHE AAA O   1 ? 
ATOM   1180 C  CB  . PHE A 1 146 ? -14.550 -10.773 19.357  1.000 8.112   ? 147 PHE AAA CB  1 ? 
ATOM   1181 C  CG  . PHE A 1 146 ? -13.687 -10.301 20.500  1.000 7.774   ? 147 PHE AAA CG  1 ? 
ATOM   1182 C  CD1 . PHE A 1 146 ? -12.316 -10.123 20.325  1.000 8.460   ? 147 PHE AAA CD1 1 ? 
ATOM   1183 C  CD2 . PHE A 1 146 ? -14.213 -10.040 21.725  1.000 8.032   ? 147 PHE AAA CD2 1 ? 
ATOM   1184 C  CE1 . PHE A 1 146 ? -11.549 -9.730  21.408  1.000 8.642   ? 147 PHE AAA CE1 1 ? 
ATOM   1185 C  CE2 . PHE A 1 146 ? -13.465 -9.609  22.771  1.000 8.522   ? 147 PHE AAA CE2 1 ? 
ATOM   1186 C  CZ  . PHE A 1 146 ? -12.112 -9.527  22.622  1.000 8.140   ? 147 PHE AAA CZ  1 ? 
ATOM   1187 N  N   . LEU A 1 147 ? -14.591 -11.126 16.163  1.000 8.402   ? 148 LEU AAA N   1 ? 
ATOM   1188 C  CA  . LEU A 1 147 ? -15.146 -11.944 15.083  1.000 8.768   ? 148 LEU AAA CA  1 ? 
ATOM   1189 C  C   . LEU A 1 147 ? -14.830 -13.396 15.350  1.000 8.126   ? 148 LEU AAA C   1 ? 
ATOM   1190 O  O   . LEU A 1 147 ? -13.643 -13.747 15.552  1.000 9.547   ? 148 LEU AAA O   1 ? 
ATOM   1191 C  CB  . LEU A 1 147 ? -14.606 -11.560 13.705  1.000 9.172   ? 148 LEU AAA CB  1 ? 
ATOM   1192 C  CG  . LEU A 1 147 ? -15.081 -10.288 13.054  1.000 9.299   ? 148 LEU AAA CG  1 ? 
ATOM   1193 C  CD1 . LEU A 1 147 ? -14.902 -9.013  13.870  1.000 10.830  ? 148 LEU AAA CD1 1 ? 
ATOM   1194 C  CD2 . LEU A 1 147 ? -14.497 -10.121 11.676  1.000 10.307  ? 148 LEU AAA CD2 1 ? 
ATOM   1195 N  N   . LYS A 1 148 ? -15.828 -14.253 15.274  1.000 9.288   ? 149 LYS AAA N   1 ? 
ATOM   1196 C  CA  . LYS A 1 148 ? -15.664 -15.705 15.205  1.000 10.209  ? 149 LYS AAA CA  1 ? 
ATOM   1197 C  C   . LYS A 1 148 ? -16.177 -16.194 13.864  1.000 10.639  ? 149 LYS AAA C   1 ? 
ATOM   1198 O  O   . LYS A 1 148 ? -17.001 -15.538 13.226  1.000 12.565  ? 149 LYS AAA O   1 ? 
ATOM   1199 C  CB  . LYS A 1 148 ? -16.402 -16.348 16.370  1.000 12.329  ? 149 LYS AAA CB  1 ? 
ATOM   1200 C  CG  . LYS A 1 148 ? -17.905 -16.211 16.329  1.000 14.567  ? 149 LYS AAA CG  1 ? 
ATOM   1201 C  CD  . LYS A 1 148 ? -18.506 -16.916 17.480  1.000 20.687  ? 149 LYS AAA CD  1 ? 
ATOM   1202 C  CE  . LYS A 1 148 ? -20.019 -16.957 17.413  1.000 27.131  ? 149 LYS AAA CE  1 ? 
ATOM   1203 N  NZ  . LYS A 1 148 ? -20.603 -17.550 18.639  1.000 40.497  ? 149 LYS AAA NZ  1 ? 
ATOM   1204 N  N   . VAL A 1 149 ? -15.695 -17.350 13.483  1.000 11.573  ? 150 VAL AAA N   1 ? 
ATOM   1205 C  CA  . VAL A 1 149 ? -16.029 -17.962 12.177  1.000 13.988  ? 150 VAL AAA CA  1 ? 
ATOM   1206 C  C   . VAL A 1 149 ? -17.220 -18.894 12.348  1.000 16.106  ? 150 VAL AAA C   1 ? 
ATOM   1207 O  O   . VAL A 1 149 ? -17.177 -19.818 13.209  1.000 18.281  ? 150 VAL AAA O   1 ? 
ATOM   1208 C  CB  . VAL A 1 149 ? -14.822 -18.693 11.572  1.000 15.307  ? 150 VAL AAA CB  1 ? 
ATOM   1209 C  CG1 . VAL A 1 149 ? -15.255 -19.419 10.300  1.000 17.792  ? 150 VAL AAA CG1 1 ? 
ATOM   1210 C  CG2 . VAL A 1 149 ? -13.760 -17.655 11.248  1.000 16.596  ? 150 VAL AAA CG2 1 ? 
ATOM   1211 N  N   . GLY A 1 150 ? -18.289 -18.611 11.624  1.000 13.703  ? 151 GLY AAA N   1 ? 
ATOM   1212 C  CA  . GLY A 1 150 ? -19.452 -19.489 11.615  1.000 17.375  ? 151 GLY AAA CA  1 ? 
ATOM   1213 C  C   . GLY A 1 150 ? -20.373 -19.053 10.494  1.000 16.215  ? 151 GLY AAA C   1 ? 
ATOM   1214 O  O   . GLY A 1 150 ? -19.943 -19.119 9.327   1.000 17.670  ? 151 GLY AAA O   1 ? 
ATOM   1215 N  N   . SER A 1 151 ? -21.545 -18.509 10.810  1.000 15.081  ? 152 SER AAA N   1 ? 
ATOM   1216 C  CA  A SER A 1 151 ? -22.467 -17.966 9.778   0.500 15.403  ? 152 SER AAA CA  1 ? 
ATOM   1217 C  CA  B SER A 1 151 ? -22.457 -17.979 9.761   0.500 15.511  ? 152 SER AAA CA  1 ? 
ATOM   1218 C  C   . SER A 1 151 ? -21.877 -16.666 9.206   1.000 13.454  ? 152 SER AAA C   1 ? 
ATOM   1219 O  O   . SER A 1 151 ? -21.217 -15.934 9.922   1.000 15.403  ? 152 SER AAA O   1 ? 
ATOM   1220 C  CB  A SER A 1 151 ? -23.833 -17.753 10.335  0.500 19.015  ? 152 SER AAA CB  1 ? 
ATOM   1221 C  CB  B SER A 1 151 ? -23.850 -17.781 10.259  0.500 20.631  ? 152 SER AAA CB  1 ? 
ATOM   1222 O  OG  A SER A 1 151 ? -24.322 -18.981 10.857  0.500 21.272  ? 152 SER AAA OG  1 ? 
ATOM   1223 O  OG  B SER A 1 151 ? -23.834 -17.005 11.439  0.500 25.311  ? 152 SER AAA OG  1 ? 
ATOM   1224 N  N   . ALA A 1 152 ? -22.200 -16.352 7.959   1.000 14.141  ? 153 ALA AAA N   1 ? 
ATOM   1225 C  CA  . ALA A 1 152 ? -21.811 -15.095 7.314   1.000 13.683  ? 153 ALA AAA CA  1 ? 
ATOM   1226 C  C   . ALA A 1 152 ? -22.414 -13.892 8.047   1.000 13.301  ? 153 ALA AAA C   1 ? 
ATOM   1227 O  O   . ALA A 1 152 ? -23.549 -13.936 8.532   1.000 14.970  ? 153 ALA AAA O   1 ? 
ATOM   1228 C  CB  . ALA A 1 152 ? -22.168 -15.055 5.849   1.000 15.392  ? 153 ALA AAA CB  1 ? 
ATOM   1229 N  N   . LYS A 1 153 ? -21.680 -12.779 8.018   1.000 13.208  ? 154 LYS AAA N   1 ? 
ATOM   1230 C  CA  . LYS A 1 153 ? -22.271 -11.488 8.461   1.000 13.087  ? 154 LYS AAA CA  1 ? 
ATOM   1231 C  C   . LYS A 1 153 ? -22.726 -10.699 7.246   1.000 14.280  ? 154 LYS AAA C   1 ? 
ATOM   1232 O  O   . LYS A 1 153 ? -21.906 -10.247 6.435   1.000 12.957  ? 154 LYS AAA O   1 ? 
ATOM   1233 C  CB  . LYS A 1 153 ? -21.191 -10.727 9.206   1.000 12.994  ? 154 LYS AAA CB  1 ? 
ATOM   1234 C  CG  . LYS A 1 153 ? -21.668 -9.489  9.940   1.000 14.672  ? 154 LYS AAA CG  1 ? 
ATOM   1235 C  CD  . LYS A 1 153 ? -22.505 -9.790  11.135  1.000 15.250  ? 154 LYS AAA CD  1 ? 
ATOM   1236 C  CE  . LYS A 1 153 ? -22.593 -8.595  12.063  1.000 14.999  ? 154 LYS AAA CE  1 ? 
ATOM   1237 N  NZ  . LYS A 1 153 ? -23.625 -8.859  13.091  1.000 19.539  ? 154 LYS AAA NZ  1 ? 
ATOM   1238 N  N   . PRO A 1 154 ? -24.078 -10.581 7.003   1.000 15.306  ? 155 PRO AAA N   1 ? 
ATOM   1239 C  CA  . PRO A 1 154 ? -24.501 -9.933  5.744   1.000 16.604  ? 155 PRO AAA CA  1 ? 
ATOM   1240 C  C   . PRO A 1 154 ? -23.909 -8.527  5.557   1.000 15.035  ? 155 PRO AAA C   1 ? 
ATOM   1241 O  O   . PRO A 1 154 ? -23.525 -8.139  4.461   1.000 18.930  ? 155 PRO AAA O   1 ? 
ATOM   1242 C  CB  . PRO A 1 154 ? -26.024 -9.939  5.856   1.000 21.709  ? 155 PRO AAA CB  1 ? 
ATOM   1243 C  CG  . PRO A 1 154 ? -26.270 -11.063 6.835   1.000 24.311  ? 155 PRO AAA CG  1 ? 
ATOM   1244 C  CD  . PRO A 1 154 ? -25.153 -11.072 7.858   1.000 16.222  ? 155 PRO AAA CD  1 ? 
ATOM   1245 N  N   . GLY A 1 155 ? -23.838 -7.788  6.662   1.000 14.607  ? 156 GLY AAA N   1 ? 
ATOM   1246 C  CA  . GLY A 1 155 ? -23.393 -6.394  6.645   1.000 14.927  ? 156 GLY AAA CA  1 ? 
ATOM   1247 C  C   . GLY A 1 155 ? -21.913 -6.235  6.372   1.000 14.167  ? 156 GLY AAA C   1 ? 
ATOM   1248 O  O   . GLY A 1 155 ? -21.466 -5.087  6.132   1.000 17.956  ? 156 GLY AAA O   1 ? 
ATOM   1249 N  N   . LEU A 1 156 ? -21.145 -7.327  6.395   1.000 13.294  ? 157 LEU AAA N   1 ? 
ATOM   1250 C  CA  . LEU A 1 156 ? -19.728 -7.302  6.043   1.000 13.287  ? 157 LEU AAA CA  1 ? 
ATOM   1251 C  C   . LEU A 1 156 ? -19.522 -7.530  4.543   1.000 12.370  ? 157 LEU AAA C   1 ? 
ATOM   1252 O  O   . LEU A 1 156 ? -18.418 -7.225  4.086   1.000 12.724  ? 157 LEU AAA O   1 ? 
ATOM   1253 C  CB  . LEU A 1 156 ? -19.022 -8.367  6.875   1.000 12.860  ? 157 LEU AAA CB  1 ? 
ATOM   1254 C  CG  . LEU A 1 156 ? -17.516 -8.451  6.706   1.000 15.132  ? 157 LEU AAA CG  1 ? 
ATOM   1255 C  CD1 . LEU A 1 156 ? -16.832 -7.151  7.136   1.000 13.875  ? 157 LEU AAA CD1 1 ? 
ATOM   1256 C  CD2 . LEU A 1 156 ? -16.965 -9.598  7.561   1.000 15.307  ? 157 LEU AAA CD2 1 ? 
ATOM   1257 N  N   . GLN A 1 157 ? -20.466 -8.109  3.815   1.000 13.757  ? 158 GLN AAA N   1 ? 
ATOM   1258 C  CA  . GLN A 1 157 ? -20.201 -8.593  2.448   1.000 13.776  ? 158 GLN AAA CA  1 ? 
ATOM   1259 C  C   . GLN A 1 157 ? -19.734 -7.437  1.555   1.000 13.092  ? 158 GLN AAA C   1 ? 
ATOM   1260 O  O   . GLN A 1 157 ? -18.908 -7.681  0.706   1.000 13.614  ? 158 GLN AAA O   1 ? 
ATOM   1261 C  CB  . GLN A 1 157 ? -21.353 -9.433  1.911   1.000 16.406  ? 158 GLN AAA CB  1 ? 
ATOM   1262 C  CG  . GLN A 1 157 ? -20.962 -10.220 0.670   1.000 17.579  ? 158 GLN AAA CG  1 ? 
ATOM   1263 C  CD  . GLN A 1 157 ? -19.829 -11.213 0.857   1.000 13.880  ? 158 GLN AAA CD  1 ? 
ATOM   1264 O  OE1 . GLN A 1 157 ? -19.672 -11.795 1.937   1.000 14.629  ? 158 GLN AAA OE1 1 ? 
ATOM   1265 N  NE2 . GLN A 1 157 ? -19.034 -11.419 -0.190  1.000 19.242  ? 158 GLN AAA NE2 1 ? 
ATOM   1266 N  N   . LYS A 1 158 ? -20.312 -6.237  1.686   1.000 13.827  ? 159 LYS AAA N   1 ? 
ATOM   1267 C  CA  . LYS A 1 158 ? -19.917 -5.110  0.790   1.000 14.250  ? 159 LYS AAA CA  1 ? 
ATOM   1268 C  C   . LYS A 1 158 ? -18.403 -4.830  0.987   1.000 13.368  ? 159 LYS AAA C   1 ? 
ATOM   1269 O  O   . LYS A 1 158 ? -17.769 -4.436  0.044   1.000 14.903  ? 159 LYS AAA O   1 ? 
ATOM   1270 C  CB  . LYS A 1 158 ? -20.791 -3.875  0.993   1.000 18.042  ? 159 LYS AAA CB  1 ? 
ATOM   1271 C  CG  . LYS A 1 158 ? -22.125 -3.866  0.259   1.000 26.147  ? 159 LYS AAA CG  1 ? 
ATOM   1272 C  CD  . LYS A 1 158 ? -22.637 -2.426  0.005   1.000 38.458  ? 159 LYS AAA CD  1 ? 
ATOM   1273 C  CE  . LYS A 1 158 ? -21.757 -1.305  0.556   1.000 46.377  ? 159 LYS AAA CE  1 ? 
ATOM   1274 N  NZ  . LYS A 1 158 ? -22.446 0.018   0.627   1.000 58.182  ? 159 LYS AAA NZ  1 ? 
ATOM   1275 N  N   . VAL A 1 159 ? -17.930 -4.949  2.209   1.000 11.977  ? 160 VAL AAA N   1 ? 
ATOM   1276 C  CA  . VAL A 1 159 ? -16.490 -4.798  2.470   1.000 10.751  ? 160 VAL AAA CA  1 ? 
ATOM   1277 C  C   . VAL A 1 159 ? -15.699 -5.905  1.772   1.000 11.726  ? 160 VAL AAA C   1 ? 
ATOM   1278 O  O   . VAL A 1 159 ? -14.759 -5.606  1.068   1.000 12.969  ? 160 VAL AAA O   1 ? 
ATOM   1279 C  CB  . VAL A 1 159 ? -16.219 -4.760  3.984   1.000 11.487  ? 160 VAL AAA CB  1 ? 
ATOM   1280 C  CG1 . VAL A 1 159 ? -14.760 -4.779  4.261   1.000 12.726  ? 160 VAL AAA CG1 1 ? 
ATOM   1281 C  CG2 . VAL A 1 159 ? -16.875 -3.546  4.609   1.000 13.554  ? 160 VAL AAA CG2 1 ? 
ATOM   1282 N  N   . VAL A 1 160 ? -16.072 -7.147  2.019   1.000 12.429  ? 161 VAL AAA N   1 ? 
ATOM   1283 C  CA  . VAL A 1 160 ? -15.402 -8.352  1.452   1.000 15.357  ? 161 VAL AAA CA  1 ? 
ATOM   1284 C  C   . VAL A 1 160 ? -15.287 -8.126  -0.068  1.000 14.237  ? 161 VAL AAA C   1 ? 
ATOM   1285 O  O   . VAL A 1 160 ? -14.286 -8.412  -0.672  1.000 16.307  ? 161 VAL AAA O   1 ? 
ATOM   1286 C  CB  . VAL A 1 160 ? -16.220 -9.626  1.808   1.000 18.702  ? 161 VAL AAA CB  1 ? 
ATOM   1287 C  CG1 . VAL A 1 160 ? -15.824 -10.843 1.011   1.000 18.834  ? 161 VAL AAA CG1 1 ? 
ATOM   1288 C  CG2 . VAL A 1 160 ? -16.109 -9.876  3.302   1.000 21.066  ? 161 VAL AAA CG2 1 ? 
ATOM   1289 N  N   . ASP A 1 161 ? -16.393 -7.704  -0.706  1.000 16.495  ? 162 ASP AAA N   1 ? 
ATOM   1290 C  CA  . ASP A 1 161 ? -16.465 -7.676  -2.188  1.000 19.086  ? 162 ASP AAA CA  1 ? 
ATOM   1291 C  C   . ASP A 1 161 ? -15.589 -6.597  -2.817  1.000 18.033  ? 162 ASP AAA C   1 ? 
ATOM   1292 O  O   . ASP A 1 161 ? -15.338 -6.701  -3.990  1.000 25.331  ? 162 ASP AAA O   1 ? 
ATOM   1293 C  CB  . ASP A 1 161 ? -17.900 -7.482  -2.615  1.000 25.638  ? 162 ASP AAA CB  1 ? 
ATOM   1294 C  CG  . ASP A 1 161 ? -18.692 -8.784  -2.520  1.000 46.588  ? 162 ASP AAA CG  1 ? 
ATOM   1295 O  OD1 . ASP A 1 161 ? -18.071 -9.916  -2.640  1.000 44.026  ? 162 ASP AAA OD1 1 ? 
ATOM   1296 O  OD2 . ASP A 1 161 ? -19.879 -8.655  -2.258  1.000 61.847  ? 162 ASP AAA OD2 1 ? 
ATOM   1297 N  N   . VAL A 1 162 ? -15.136 -5.590  -2.073  1.000 12.380  ? 163 VAL AAA N   1 ? 
ATOM   1298 C  CA  . VAL A 1 162 ? -14.276 -4.547  -2.687  1.000 13.959  ? 163 VAL AAA CA  1 ? 
ATOM   1299 C  C   . VAL A 1 162 ? -12.787 -4.877  -2.460  1.000 13.544  ? 163 VAL AAA C   1 ? 
ATOM   1300 O  O   . VAL A 1 162 ? -11.914 -4.164  -2.988  1.000 13.647  ? 163 VAL AAA O   1 ? 
ATOM   1301 C  CB  . VAL A 1 162 ? -14.635 -3.176  -2.071  1.000 15.771  ? 163 VAL AAA CB  1 ? 
ATOM   1302 C  CG1 . VAL A 1 162 ? -14.134 -2.993  -0.665  1.000 17.150  ? 163 VAL AAA CG1 1 ? 
ATOM   1303 C  CG2 . VAL A 1 162 ? -14.244 -2.020  -2.951  1.000 21.998  ? 163 VAL AAA CG2 1 ? 
ATOM   1304 N  N   . LEU A 1 163 ? -12.445 -5.885  -1.637  1.000 13.048  ? 164 LEU AAA N   1 ? 
ATOM   1305 C  CA  . LEU A 1 163 ? -11.050 -6.102  -1.240  1.000 12.700  ? 164 LEU AAA CA  1 ? 
ATOM   1306 C  C   . LEU A 1 163 ? -10.176 -6.407  -2.474  1.000 13.302  ? 164 LEU AAA C   1 ? 
ATOM   1307 O  O   . LEU A 1 163 ? -8.979  -6.026  -2.474  1.000 14.032  ? 164 LEU AAA O   1 ? 
ATOM   1308 C  CB  . LEU A 1 163 ? -10.960 -7.158  -0.162  1.000 13.979  ? 164 LEU AAA CB  1 ? 
ATOM   1309 C  CG  . LEU A 1 163 ? -11.609 -6.783  1.169   1.000 12.980  ? 164 LEU AAA CG  1 ? 
ATOM   1310 C  CD1 . LEU A 1 163 ? -11.399 -7.944  2.141   1.000 14.955  ? 164 LEU AAA CD1 1 ? 
ATOM   1311 C  CD2 . LEU A 1 163 ? -11.103 -5.464  1.716   1.000 12.414  ? 164 LEU AAA CD2 1 ? 
ATOM   1312 N  N   . ASP A 1 164 ? -10.717 -7.089  -3.468  1.000 16.545  ? 165 ASP AAA N   1 ? 
ATOM   1313 C  CA  . ASP A 1 164 ? -9.956  -7.430  -4.701  1.000 21.009  ? 165 ASP AAA CA  1 ? 
ATOM   1314 C  C   . ASP A 1 164 ? -9.413  -6.157  -5.362  1.000 17.648  ? 165 ASP AAA C   1 ? 
ATOM   1315 O  O   . ASP A 1 164 ? -8.352  -6.236  -6.029  1.000 25.623  ? 165 ASP AAA O   1 ? 
ATOM   1316 C  CB  . ASP A 1 164 ? -10.817 -8.233  -5.695  1.000 27.107  ? 165 ASP AAA CB  1 ? 
ATOM   1317 C  CG  . ASP A 1 164 ? -10.872 -9.737  -5.444  1.000 41.874  ? 165 ASP AAA CG  1 ? 
ATOM   1318 O  OD1 . ASP A 1 164 ? -9.909  -10.277 -4.812  1.000 62.740  ? 165 ASP AAA OD1 1 ? 
ATOM   1319 O  OD2 . ASP A 1 164 ? -11.880 -10.381 -5.905  1.000 55.471  ? 165 ASP AAA OD2 1 ? 
ATOM   1320 N  N   . SER A 1 165 ? -10.100 -5.037  -5.193  1.000 14.664  ? 166 SER AAA N   1 ? 
ATOM   1321 C  CA  . SER A 1 165 ? -9.721  -3.742  -5.825  1.000 16.245  ? 166 SER AAA CA  1 ? 
ATOM   1322 C  C   . SER A 1 165 ? -8.667  -3.004  -5.008  1.000 13.524  ? 166 SER AAA C   1 ? 
ATOM   1323 O  O   . SER A 1 165 ? -8.128  -2.022  -5.533  1.000 16.046  ? 166 SER AAA O   1 ? 
ATOM   1324 C  CB  . SER A 1 165 ? -10.932 -2.894  -6.120  1.000 17.746  ? 166 SER AAA CB  1 ? 
ATOM   1325 O  OG  . SER A 1 165 ? -11.433 -2.304  -4.911  1.000 18.094  ? 166 SER AAA OG  1 ? 
ATOM   1326 N  N   . ILE A 1 166 ? -8.353  -3.469  -3.797  1.000 11.499  ? 167 ILE AAA N   1 ? 
ATOM   1327 C  CA  . ILE A 1 166 ? -7.356  -2.778  -2.954  1.000 11.322  ? 167 ILE AAA CA  1 ? 
ATOM   1328 C  C   . ILE A 1 166 ? -6.322  -3.797  -2.443  1.000 11.053  ? 167 ILE AAA C   1 ? 
ATOM   1329 O  O   . ILE A 1 166 ? -5.937  -3.802  -1.276  1.000 11.121  ? 167 ILE AAA O   1 ? 
ATOM   1330 C  CB  . ILE A 1 166 ? -7.966  -1.944  -1.814  1.000 10.681  ? 167 ILE AAA CB  1 ? 
ATOM   1331 C  CG1 . ILE A 1 166 ? -8.839  -2.770  -0.887  1.000 12.382  ? 167 ILE AAA CG1 1 ? 
ATOM   1332 C  CG2 . ILE A 1 166 ? -8.774  -0.772  -2.382  1.000 12.423  ? 167 ILE AAA CG2 1 ? 
ATOM   1333 C  CD1 . ILE A 1 166 ? -8.900  -2.224  0.494   1.000 12.838  ? 167 ILE AAA CD1 1 ? 
ATOM   1334 N  N   . LYS A 1 167 ? -5.922  -4.695  -3.329  1.000 11.955  ? 168 LYS AAA N   1 ? 
ATOM   1335 C  CA  . LYS A 1 167 ? -5.114  -5.828  -2.891  1.000 11.184  ? 168 LYS AAA CA  1 ? 
ATOM   1336 C  C   . LYS A 1 167 ? -3.823  -5.379  -2.225  1.000 10.398  ? 168 LYS AAA C   1 ? 
ATOM   1337 O  O   . LYS A 1 167 ? -3.383  -6.066  -1.300  1.000 11.024  ? 168 LYS AAA O   1 ? 
ATOM   1338 C  CB  . LYS A 1 167 ? -4.841  -6.741  -4.087  1.000 14.173  ? 168 LYS AAA CB  1 ? 
ATOM   1339 C  CG  . LYS A 1 167 ? -4.100  -7.997  -3.715  1.000 15.774  ? 168 LYS AAA CG  1 ? 
ATOM   1340 C  CD  . LYS A 1 167 ? -3.956  -8.972  -4.880  1.000 21.257  ? 168 LYS AAA CD  1 ? 
ATOM   1341 C  CE  . LYS A 1 167 ? -2.883  -10.001 -4.649  1.000 31.769  ? 168 LYS AAA CE  1 ? 
ATOM   1342 N  NZ  . LYS A 1 167 ? -2.488  -10.688 -5.911  1.000 35.875  ? 168 LYS AAA NZ  1 ? 
ATOM   1343 N  N   . THR A 1 168 ? -3.169  -4.366  -2.775  1.000 10.106  ? 169 THR AAA N   1 ? 
ATOM   1344 C  CA  . THR A 1 168 ? -1.817  -4.020  -2.382  1.000 10.775  ? 169 THR AAA CA  1 ? 
ATOM   1345 C  C   . THR A 1 168 ? -1.753  -2.652  -1.690  1.000 9.725   ? 169 THR AAA C   1 ? 
ATOM   1346 O  O   . THR A 1 168 ? -2.643  -1.808  -1.846  1.000 11.183  ? 169 THR AAA O   1 ? 
ATOM   1347 C  CB  . THR A 1 168 ? -0.920  -4.063  -3.611  1.000 12.815  ? 169 THR AAA CB  1 ? 
ATOM   1348 O  OG1 . THR A 1 168 ? -1.479  -3.248  -4.657  1.000 14.694  ? 169 THR AAA OG1 1 ? 
ATOM   1349 C  CG2 . THR A 1 168 ? -0.719  -5.469  -4.137  1.000 13.848  ? 169 THR AAA CG2 1 ? 
ATOM   1350 N  N   . LYS A 1 169 ? -0.675  -2.464  -0.950  1.000 10.574  ? 170 LYS AAA N   1 ? 
ATOM   1351 C  CA  A LYS A 1 169 ? -0.437  -1.262  -0.178  1.000 10.894  ? 170 LYS AAA CA  1 ? 
ATOM   1352 C  C   . LYS A 1 169 ? -0.489  -0.005  -1.031  1.000 10.663  ? 170 LYS AAA C   1 ? 
ATOM   1353 O  O   . LYS A 1 169 ? 0.100   0.046   -2.114  1.000 13.502  ? 170 LYS AAA O   1 ? 
ATOM   1354 C  CB  A LYS A 1 169 ? 0.951   -1.352  0.444   1.000 12.082  ? 170 LYS AAA CB  1 ? 
ATOM   1355 C  CG  A LYS A 1 169 ? 1.389   -0.167  1.308   1.000 14.165  ? 170 LYS AAA CG  1 ? 
ATOM   1356 C  CD  A LYS A 1 169 ? 2.772   -0.325  1.940   1.000 18.299  ? 170 LYS AAA CD  1 ? 
ATOM   1357 C  CE  A LYS A 1 169 ? 3.856   -0.799  0.982   1.000 24.825  ? 170 LYS AAA CE  1 ? 
ATOM   1358 N  NZ  A LYS A 1 169 ? 5.198   -0.874  1.625   1.000 40.032  ? 170 LYS AAA NZ  1 ? 
ATOM   1359 N  N   . GLY A 1 170 ? -1.310  0.945   -0.575  1.000 11.432  ? 171 GLY AAA N   1 ? 
ATOM   1360 C  CA  . GLY A 1 170 ? -1.457  2.251   -1.217  1.000 12.919  ? 171 GLY AAA CA  1 ? 
ATOM   1361 C  C   . GLY A 1 170 ? -2.633  2.312   -2.136  1.000 12.894  ? 171 GLY AAA C   1 ? 
ATOM   1362 O  O   . GLY A 1 170 ? -2.932  3.421   -2.653  1.000 17.926  ? 171 GLY AAA O   1 ? 
ATOM   1363 N  N   . LYS A 1 171 ? -3.277  1.200   -2.423  1.000 11.567  ? 172 LYS AAA N   1 ? 
ATOM   1364 C  CA  A LYS A 1 171 ? -4.502  1.200   -3.249  0.500 12.694  ? 172 LYS AAA CA  1 ? 
ATOM   1365 C  CA  B LYS A 1 171 ? -4.497  1.219   -3.261  0.500 12.169  ? 172 LYS AAA CA  1 ? 
ATOM   1366 C  C   . LYS A 1 171 ? -5.713  1.639   -2.417  1.000 10.600  ? 172 LYS AAA C   1 ? 
ATOM   1367 O  O   . LYS A 1 171 ? -5.864  1.218   -1.265  1.000 11.448  ? 172 LYS AAA O   1 ? 
ATOM   1368 C  CB  A LYS A 1 171 ? -4.757  -0.177  -3.847  0.500 14.709  ? 172 LYS AAA CB  1 ? 
ATOM   1369 C  CB  B LYS A 1 171 ? -4.760  -0.116  -3.956  0.500 14.000  ? 172 LYS AAA CB  1 ? 
ATOM   1370 C  CG  A LYS A 1 171 ? -3.705  -0.636  -4.831  0.500 18.028  ? 172 LYS AAA CG  1 ? 
ATOM   1371 C  CG  B LYS A 1 171 ? -3.832  -0.462  -5.108  0.500 16.626  ? 172 LYS AAA CG  1 ? 
ATOM   1372 C  CD  A LYS A 1 171 ? -3.971  -0.146  -6.229  0.500 20.309  ? 172 LYS AAA CD  1 ? 
ATOM   1373 C  CD  B LYS A 1 171 ? -4.386  -1.576  -6.002  0.500 16.743  ? 172 LYS AAA CD  1 ? 
ATOM   1374 C  CE  A LYS A 1 171 ? -3.155  -0.892  -7.259  0.500 23.010  ? 172 LYS AAA CE  1 ? 
ATOM   1375 C  CE  B LYS A 1 171 ? -5.509  -1.100  -6.911  0.500 19.718  ? 172 LYS AAA CE  1 ? 
ATOM   1376 N  NZ  A LYS A 1 171 ? -3.423  -0.387  -8.611  0.500 24.745  ? 172 LYS AAA NZ  1 ? 
ATOM   1377 N  NZ  B LYS A 1 171 ? -6.000  -2.147  -7.850  0.500 25.409  ? 172 LYS AAA NZ  1 ? 
ATOM   1378 N  N   . SER A 1 172 ? -6.568  2.416   -3.015  1.000 12.127  ? 173 SER AAA N   1 ? 
ATOM   1379 C  CA  . SER A 1 172 ? -7.832  2.822   -2.415  1.000 12.251  ? 173 SER AAA CA  1 ? 
ATOM   1380 C  C   . SER A 1 172 ? -8.957  2.705   -3.440  1.000 12.225  ? 173 SER AAA C   1 ? 
ATOM   1381 O  O   . SER A 1 172 ? -8.709  2.606   -4.637  1.000 13.750  ? 173 SER AAA O   1 ? 
ATOM   1382 C  CB  . SER A 1 172 ? -7.756  4.206   -1.848  1.000 13.122  ? 173 SER AAA CB  1 ? 
ATOM   1383 O  OG  . SER A 1 172 ? -7.567  5.162   -2.851  1.000 17.548  ? 173 SER AAA OG  1 ? 
ATOM   1384 N  N   . ALA A 1 173 ? -10.158 2.726   -2.911  1.000 12.163  ? 174 ALA AAA N   1 ? 
ATOM   1385 C  CA  . ALA A 1 173 ? -11.368 2.682   -3.747  1.000 12.744  ? 174 ALA AAA CA  1 ? 
ATOM   1386 C  C   . ALA A 1 173 ? -12.476 3.488   -3.109  1.000 10.992  ? 174 ALA AAA C   1 ? 
ATOM   1387 O  O   . ALA A 1 173 ? -12.566 3.564   -1.899  1.000 10.973  ? 174 ALA AAA O   1 ? 
ATOM   1388 C  CB  . ALA A 1 173 ? -11.812 1.278   -3.946  1.000 14.561  ? 174 ALA AAA CB  1 ? 
ATOM   1389 N  N   . ASP A 1 174 ? -13.329 4.050   -3.946  1.000 14.272  ? 175 ASP AAA N   1 ? 
ATOM   1390 C  CA  . ASP A 1 174 ? -14.519 4.768   -3.451  1.000 17.482  ? 175 ASP AAA CA  1 ? 
ATOM   1391 C  C   . ASP A 1 174 ? -15.334 3.769   -2.615  1.000 14.086  ? 175 ASP AAA C   1 ? 
ATOM   1392 O  O   . ASP A 1 174 ? -15.395 2.553   -2.993  1.000 17.316  ? 175 ASP AAA O   1 ? 
ATOM   1393 C  CB  . ASP A 1 174 ? -15.325 5.435   -4.593  1.000 25.678  ? 175 ASP AAA CB  1 ? 
ATOM   1394 C  CG  . ASP A 1 174 ? -14.575 6.485   -5.476  1.000 37.382  ? 175 ASP AAA CG  1 ? 
ATOM   1395 O  OD1 . ASP A 1 174 ? -13.800 7.374   -4.946  1.000 35.222  ? 175 ASP AAA OD1 1 ? 
ATOM   1396 O  OD2 . ASP A 1 174 ? -14.805 6.493   -6.739  1.000 46.077  ? 175 ASP AAA OD2 1 ? 
ATOM   1397 N  N   . PHE A 1 175 ? -15.870 4.204   -1.458  1.000 12.503  ? 176 PHE AAA N   1 ? 
ATOM   1398 C  CA  . PHE A 1 175 ? -16.630 3.298   -0.575  1.000 12.779  ? 176 PHE AAA CA  1 ? 
ATOM   1399 C  C   . PHE A 1 175 ? -17.664 4.132   0.136   1.000 12.115  ? 176 PHE AAA C   1 ? 
ATOM   1400 O  O   . PHE A 1 175 ? -17.672 4.237   1.313   1.000 15.855  ? 176 PHE AAA O   1 ? 
ATOM   1401 C  CB  . PHE A 1 175 ? -15.668 2.528   0.327   1.000 13.388  ? 176 PHE AAA CB  1 ? 
ATOM   1402 C  CG  . PHE A 1 175 ? -16.302 1.266   0.841   1.000 13.077  ? 176 PHE AAA CG  1 ? 
ATOM   1403 C  CD1 . PHE A 1 175 ? -16.513 0.198   -0.024  1.000 14.684  ? 176 PHE AAA CD1 1 ? 
ATOM   1404 C  CD2 . PHE A 1 175 ? -16.647 1.150   2.171   1.000 13.530  ? 176 PHE AAA CD2 1 ? 
ATOM   1405 C  CE1 . PHE A 1 175 ? -17.064 -0.979  0.456   1.000 15.451  ? 176 PHE AAA CE1 1 ? 
ATOM   1406 C  CE2 . PHE A 1 175 ? -17.225 -0.020  2.647   1.000 12.911  ? 176 PHE AAA CE2 1 ? 
ATOM   1407 C  CZ  . PHE A 1 175 ? -17.436 -1.077  1.780   1.000 14.213  ? 176 PHE AAA CZ  1 ? 
ATOM   1408 N  N   . THR A 1 176 ? -18.599 4.661   -0.651  1.000 14.161  ? 177 THR AAA N   1 ? 
ATOM   1409 C  CA  . THR A 1 176 ? -19.694 5.486   -0.153  1.000 13.278  ? 177 THR AAA CA  1 ? 
ATOM   1410 C  C   . THR A 1 176 ? -20.884 4.643   0.298   1.000 11.317  ? 177 THR AAA C   1 ? 
ATOM   1411 O  O   . THR A 1 176 ? -21.103 3.523   -0.173  1.000 12.795  ? 177 THR AAA O   1 ? 
ATOM   1412 C  CB  . THR A 1 176 ? -20.081 6.536   -1.212  1.000 14.109  ? 177 THR AAA CB  1 ? 
ATOM   1413 O  OG1 . THR A 1 176 ? -20.379 5.955   -2.465  1.000 21.210  ? 177 THR AAA OG1 1 ? 
ATOM   1414 C  CG2 . THR A 1 176 ? -19.029 7.598   -1.358  1.000 18.815  ? 177 THR AAA CG2 1 ? 
ATOM   1415 N  N   . ASN A 1 177 ? -21.714 5.236   1.140   1.000 12.142  ? 178 ASN AAA N   1 ? 
ATOM   1416 C  CA  . ASN A 1 177 ? -23.002 4.642   1.521   1.000 13.102  ? 178 ASN AAA CA  1 ? 
ATOM   1417 C  C   . ASN A 1 177 ? -22.903 3.332   2.277   1.000 12.427  ? 178 ASN AAA C   1 ? 
ATOM   1418 O  O   . ASN A 1 177 ? -23.819 2.536   2.168   1.000 17.132  ? 178 ASN AAA O   1 ? 
ATOM   1419 C  CB  . ASN A 1 177 ? -23.985 4.598   0.330   1.000 14.444  ? 178 ASN AAA CB  1 ? 
ATOM   1420 C  CG  . ASN A 1 177 ? -24.175 5.956   -0.301  1.000 15.627  ? 178 ASN AAA CG  1 ? 
ATOM   1421 O  OD1 . ASN A 1 177 ? -24.787 6.833   0.310   1.000 19.181  ? 178 ASN AAA OD1 1 ? 
ATOM   1422 N  ND2 . ASN A 1 177 ? -23.572 6.199   -1.452  1.000 14.912  ? 178 ASN AAA ND2 1 ? 
ATOM   1423 N  N   . PHE A 1 178 ? -21.797 3.079   2.974   1.000 11.787  ? 179 PHE AAA N   1 ? 
ATOM   1424 C  CA  . PHE A 1 178 ? -21.664 1.852   3.785   1.000 12.713  ? 179 PHE AAA CA  1 ? 
ATOM   1425 C  C   . PHE A 1 178 ? -22.159 2.144   5.193   1.000 12.246  ? 179 PHE AAA C   1 ? 
ATOM   1426 O  O   . PHE A 1 178 ? -21.757 3.133   5.797   1.000 13.414  ? 179 PHE AAA O   1 ? 
ATOM   1427 C  CB  . PHE A 1 178 ? -20.220 1.399   3.873   1.000 13.109  ? 179 PHE AAA CB  1 ? 
ATOM   1428 C  CG  . PHE A 1 178 ? -20.090 0.158   4.724   1.000 12.450  ? 179 PHE AAA CG  1 ? 
ATOM   1429 C  CD1 . PHE A 1 178 ? -20.455 -1.070  4.209   1.000 12.059  ? 179 PHE AAA CD1 1 ? 
ATOM   1430 C  CD2 . PHE A 1 178 ? -19.733 0.225   6.059   1.000 12.488  ? 179 PHE AAA CD2 1 ? 
ATOM   1431 C  CE1 . PHE A 1 178 ? -20.428 -2.204  5.000   1.000 13.870  ? 179 PHE AAA CE1 1 ? 
ATOM   1432 C  CE2 . PHE A 1 178 ? -19.657 -0.909  6.840   1.000 12.713  ? 179 PHE AAA CE2 1 ? 
ATOM   1433 C  CZ  . PHE A 1 178 ? -20.017 -2.139  6.313   1.000 13.230  ? 179 PHE AAA CZ  1 ? 
ATOM   1434 N  N   . ASP A 1 179 ? -23.058 1.284   5.721   1.000 12.977  ? 180 ASP AAA N   1 ? 
ATOM   1435 C  CA  . ASP A 1 179 ? -23.631 1.478   7.059   1.000 12.302  ? 180 ASP AAA CA  1 ? 
ATOM   1436 C  C   . ASP A 1 179 ? -22.931 0.609   8.099   1.000 12.687  ? 180 ASP AAA C   1 ? 
ATOM   1437 O  O   . ASP A 1 179 ? -23.113 -0.637  8.132   1.000 13.916  ? 180 ASP AAA O   1 ? 
ATOM   1438 C  CB  . ASP A 1 179 ? -25.114 1.173   6.971   1.000 15.030  ? 180 ASP AAA CB  1 ? 
ATOM   1439 C  CG  . ASP A 1 179 ? -25.868 1.488   8.228   1.000 20.430  ? 180 ASP AAA CG  1 ? 
ATOM   1440 O  OD1 . ASP A 1 179 ? -25.265 1.761   9.250   1.000 16.272  ? 180 ASP AAA OD1 1 ? 
ATOM   1441 O  OD2 . ASP A 1 179 ? -27.130 1.459   8.127   1.000 29.727  ? 180 ASP AAA OD2 1 ? 
ATOM   1442 N  N   . PRO A 1 180 ? -22.118 1.218   8.982   1.000 10.904  ? 181 PRO AAA N   1 ? 
ATOM   1443 C  CA  . PRO A 1 180 ? -21.428 0.411   9.975   1.000 11.507  ? 181 PRO AAA CA  1 ? 
ATOM   1444 C  C   . PRO A 1 180 ? -22.326 -0.229  11.052  1.000 12.250  ? 181 PRO AAA C   1 ? 
ATOM   1445 O  O   . PRO A 1 180 ? -21.881 -1.129  11.759  1.000 12.414  ? 181 PRO AAA O   1 ? 
ATOM   1446 C  CB  . PRO A 1 180 ? -20.394 1.391   10.522  1.000 13.034  ? 181 PRO AAA CB  1 ? 
ATOM   1447 C  CG  . PRO A 1 180 ? -21.031 2.756   10.407  1.000 13.950  ? 181 PRO AAA CG  1 ? 
ATOM   1448 C  CD  . PRO A 1 180 ? -21.830 2.637   9.122   1.000 12.525  ? 181 PRO AAA CD  1 ? 
ATOM   1449 N  N   . ARG A 1 181 ? -23.594 0.181   11.121  1.000 12.149  ? 182 ARG AAA N   1 ? 
ATOM   1450 C  CA  . ARG A 1 181 ? -24.532 -0.488  12.047  1.000 12.451  ? 182 ARG AAA CA  1 ? 
ATOM   1451 C  C   . ARG A 1 181 ? -24.591 -1.991  11.737  1.000 11.565  ? 182 ARG AAA C   1 ? 
ATOM   1452 O  O   . ARG A 1 181 ? -24.958 -2.778  12.626  1.000 15.077  ? 182 ARG AAA O   1 ? 
ATOM   1453 C  CB  . ARG A 1 181 ? -25.910 0.161   12.022  1.000 12.902  ? 182 ARG AAA CB  1 ? 
ATOM   1454 C  CG  . ARG A 1 181 ? -25.842 1.577   12.563  1.000 16.310  ? 182 ARG AAA CG  1 ? 
ATOM   1455 C  CD  . ARG A 1 181 ? -27.159 2.268   12.473  1.000 18.085  ? 182 ARG AAA CD  1 ? 
ATOM   1456 N  NE  . ARG A 1 181 ? -27.548 2.438   11.102  1.000 19.676  ? 182 ARG AAA NE  1 ? 
ATOM   1457 C  CZ  . ARG A 1 181 ? -28.644 3.053   10.751  1.000 26.752  ? 182 ARG AAA CZ  1 ? 
ATOM   1458 N  NH1 . ARG A 1 181 ? -29.387 3.666   11.660  1.000 31.165  ? 182 ARG AAA NH1 1 ? 
ATOM   1459 N  NH2 . ARG A 1 181 ? -28.948 3.123   9.479   1.000 36.590  ? 182 ARG AAA NH2 1 ? 
ATOM   1460 N  N   . GLY A 1 182 ? -24.405 -2.353  10.482  1.000 13.056  ? 183 GLY AAA N   1 ? 
ATOM   1461 C  CA  . GLY A 1 182 ? -24.469 -3.762  10.088  1.000 13.652  ? 183 GLY AAA CA  1 ? 
ATOM   1462 C  C   . GLY A 1 182 ? -23.320 -4.622  10.588  1.000 13.328  ? 183 GLY AAA C   1 ? 
ATOM   1463 O  O   . GLY A 1 182 ? -23.277 -5.817  10.281  1.000 15.715  ? 183 GLY AAA O   1 ? 
ATOM   1464 N  N   . LEU A 1 183 ? -22.365 -4.039  11.282  1.000 11.310  ? 184 LEU AAA N   1 ? 
ATOM   1465 C  CA  . LEU A 1 183 ? -21.202 -4.763  11.817  1.000 11.381  ? 184 LEU AAA CA  1 ? 
ATOM   1466 C  C   . LEU A 1 183 ? -21.350 -5.005  13.335  1.000 10.564  ? 184 LEU AAA C   1 ? 
ATOM   1467 O  O   . LEU A 1 183 ? -20.491 -5.623  13.916  1.000 13.414  ? 184 LEU AAA O   1 ? 
ATOM   1468 C  CB  . LEU A 1 183 ? -19.889 -4.022  11.527  1.000 13.688  ? 184 LEU AAA CB  1 ? 
ATOM   1469 C  CG  . LEU A 1 183 ? -19.568 -3.926  10.046  1.000 13.939  ? 184 LEU AAA CG  1 ? 
ATOM   1470 C  CD1 . LEU A 1 183 ? -18.325 -3.132  9.869   1.000 16.562  ? 184 LEU AAA CD1 1 ? 
ATOM   1471 C  CD2 . LEU A 1 183 ? -19.482 -5.277  9.358   1.000 18.902  ? 184 LEU AAA CD2 1 ? 
ATOM   1472 N  N   . LEU A 1 184 ? -22.399 -4.470  13.959  1.000 10.938  ? 185 LEU AAA N   1 ? 
ATOM   1473 C  CA  . LEU A 1 184 ? -22.566 -4.584  15.429  1.000 11.231  ? 185 LEU AAA CA  1 ? 
ATOM   1474 C  C   . LEU A 1 184 ? -23.219 -5.906  15.801  1.000 12.245  ? 185 LEU AAA C   1 ? 
ATOM   1475 O  O   . LEU A 1 184 ? -24.133 -6.389  15.111  1.000 19.070  ? 185 LEU AAA O   1 ? 
ATOM   1476 C  CB  . LEU A 1 184 ? -23.397 -3.391  15.954  1.000 11.889  ? 185 LEU AAA CB  1 ? 
ATOM   1477 C  CG  . LEU A 1 184 ? -22.854 -2.013  15.589  1.000 12.725  ? 185 LEU AAA CG  1 ? 
ATOM   1478 C  CD1 . LEU A 1 184 ? -23.802 -0.901  16.069  1.000 14.279  ? 185 LEU AAA CD1 1 ? 
ATOM   1479 C  CD2 . LEU A 1 184 ? -21.454 -1.846  16.100  1.000 17.041  ? 185 LEU AAA CD2 1 ? 
ATOM   1480 N  N   . PRO A 1 185 ? -22.964 -6.402  17.008  1.000 11.380  ? 186 PRO AAA N   1 ? 
ATOM   1481 C  CA  . PRO A 1 185 ? -23.745 -7.501  17.566  1.000 11.548  ? 186 PRO AAA CA  1 ? 
ATOM   1482 C  C   . PRO A 1 185 ? -25.023 -6.957  18.197  1.000 11.792  ? 186 PRO AAA C   1 ? 
ATOM   1483 O  O   . PRO A 1 185 ? -25.260 -5.783  18.238  1.000 14.342  ? 186 PRO AAA O   1 ? 
ATOM   1484 C  CB  . PRO A 1 185 ? -22.810 -8.071  18.616  1.000 12.025  ? 186 PRO AAA CB  1 ? 
ATOM   1485 C  CG  . PRO A 1 185 ? -22.076 -6.856  19.119  1.000 11.465  ? 186 PRO AAA CG  1 ? 
ATOM   1486 C  CD  . PRO A 1 185 ? -21.834 -5.997  17.859  1.000 9.940   ? 186 PRO AAA CD  1 ? 
ATOM   1487 N  N   . GLU A 1 186 ? -25.850 -7.876  18.653  1.000 13.245  ? 187 GLU AAA N   1 ? 
ATOM   1488 C  CA  A GLU A 1 186 ? -27.156 -7.473  19.242  0.500 14.071  ? 187 GLU AAA CA  1 ? 
ATOM   1489 C  CA  B GLU A 1 186 ? -27.153 -7.560  19.264  0.500 14.167  ? 187 GLU AAA CA  1 ? 
ATOM   1490 C  C   . GLU A 1 186 ? -26.956 -6.726  20.554  1.000 13.440  ? 187 GLU AAA C   1 ? 
ATOM   1491 O  O   . GLU A 1 186 ? -27.612 -5.694  20.720  1.000 17.028  ? 187 GLU AAA O   1 ? 
ATOM   1492 C  CB  A GLU A 1 186 ? -28.102 -8.608  19.649  0.500 17.514  ? 187 GLU AAA CB  1 ? 
ATOM   1493 C  CB  B GLU A 1 186 ? -27.830 -8.930  19.434  0.500 16.200  ? 187 GLU AAA CB  1 ? 
ATOM   1494 C  CG  A GLU A 1 186 ? -28.820 -9.242  18.498  0.500 20.915  ? 187 GLU AAA CG  1 ? 
ATOM   1495 C  CG  B GLU A 1 186 ? -29.209 -8.880  19.995  0.500 17.062  ? 187 GLU AAA CG  1 ? 
ATOM   1496 C  CD  A GLU A 1 186 ? -29.566 -10.484 18.923  0.500 22.614  ? 187 GLU AAA CD  1 ? 
ATOM   1497 C  CD  B GLU A 1 186 ? -29.718 -10.148 20.668  0.500 20.539  ? 187 GLU AAA CD  1 ? 
ATOM   1498 O  OE1 A GLU A 1 186 ? -29.695 -10.674 20.147  0.500 17.594  ? 187 GLU AAA OE1 1 ? 
ATOM   1499 O  OE1 B GLU A 1 186 ? -29.426 -11.266 20.157  0.500 27.133  ? 187 GLU AAA OE1 1 ? 
ATOM   1500 O  OE2 A GLU A 1 186 ? -29.995 -11.243 18.038  0.500 24.314  ? 187 GLU AAA OE2 1 ? 
ATOM   1501 O  OE2 B GLU A 1 186 ? -30.424 -10.009 21.703  0.500 21.246  ? 187 GLU AAA OE2 1 ? 
ATOM   1502 N  N   . SER A 1 187 ? -26.069 -7.203  21.440  1.000 12.273  ? 188 SER AAA N   1 ? 
ATOM   1503 C  CA  . SER A 1 187 ? -25.814 -6.606  22.764  1.000 13.877  ? 188 SER AAA CA  1 ? 
ATOM   1504 C  C   . SER A 1 187 ? -24.680 -5.601  22.712  1.000 14.314  ? 188 SER AAA C   1 ? 
ATOM   1505 O  O   . SER A 1 187 ? -23.653 -5.893  22.055  1.000 14.431  ? 188 SER AAA O   1 ? 
ATOM   1506 C  CB  . SER A 1 187 ? -25.429 -7.693  23.737  1.000 14.370  ? 188 SER AAA CB  1 ? 
ATOM   1507 O  OG  . SER A 1 187 ? -25.185 -7.144  25.029  1.000 15.279  ? 188 SER AAA OG  1 ? 
ATOM   1508 N  N   . LEU A 1 188 ? -24.816 -4.489  23.427  1.000 13.680  ? 189 LEU AAA N   1 ? 
ATOM   1509 C  CA  . LEU A 1 188 ? -23.727 -3.522  23.635  1.000 15.187  ? 189 LEU AAA CA  1 ? 
ATOM   1510 C  C   . LEU A 1 188 ? -23.069 -3.701  25.009  1.000 12.297  ? 189 LEU AAA C   1 ? 
ATOM   1511 O  O   . LEU A 1 188 ? -22.314 -2.819  25.387  1.000 15.399  ? 189 LEU AAA O   1 ? 
ATOM   1512 C  CB  . LEU A 1 188 ? -24.229 -2.091  23.468  1.000 16.801  ? 189 LEU AAA CB  1 ? 
ATOM   1513 C  CG  . LEU A 1 188 ? -24.733 -1.743  22.062  1.000 17.528  ? 189 LEU AAA CG  1 ? 
ATOM   1514 C  CD1 . LEU A 1 188 ? -25.215 -0.295  21.913  1.000 22.569  ? 189 LEU AAA CD1 1 ? 
ATOM   1515 C  CD2 . LEU A 1 188 ? -23.711 -2.093  20.954  1.000 22.162  ? 189 LEU AAA CD2 1 ? 
ATOM   1516 N  N   . ASP A 1 189 ? -23.213 -4.833  25.677  1.000 11.616  ? 190 ASP AAA N   1 ? 
ATOM   1517 C  CA  . ASP A 1 189 ? -22.475 -5.107  26.923  1.000 11.687  ? 190 ASP AAA CA  1 ? 
ATOM   1518 C  C   . ASP A 1 189 ? -20.955 -5.057  26.617  1.000 10.265  ? 190 ASP AAA C   1 ? 
ATOM   1519 O  O   . ASP A 1 189 ? -20.565 -5.526  25.549  1.000 10.416  ? 190 ASP AAA O   1 ? 
ATOM   1520 C  CB  . ASP A 1 189 ? -22.838 -6.456  27.569  1.000 14.522  ? 190 ASP AAA CB  1 ? 
ATOM   1521 C  CG  . ASP A 1 189 ? -24.269 -6.578  28.116  1.000 18.973  ? 190 ASP AAA CG  1 ? 
ATOM   1522 O  OD1 . ASP A 1 189 ? -24.831 -5.520  28.370  1.000 23.575  ? 190 ASP AAA OD1 1 ? 
ATOM   1523 O  OD2 . ASP A 1 189 ? -24.652 -7.684  28.403  1.000 26.694  ? 190 ASP AAA OD2 1 ? 
ATOM   1524 N  N   . TYR A 1 190 ? -20.176 -4.430  27.483  1.000 9.276   ? 191 TYR AAA N   1 ? 
ATOM   1525 C  CA  . TYR A 1 190 ? -18.754 -4.174  27.193  1.000 9.048   ? 191 TYR AAA CA  1 ? 
ATOM   1526 C  C   . TYR A 1 190 ? -17.922 -4.235  28.450  1.000 9.190   ? 191 TYR AAA C   1 ? 
ATOM   1527 O  O   . TYR A 1 190 ? -18.358 -4.136  29.577  1.000 10.108  ? 191 TYR AAA O   1 ? 
ATOM   1528 C  CB  . TYR A 1 190 ? -18.651 -2.815  26.500  1.000 10.280  ? 191 TYR AAA CB  1 ? 
ATOM   1529 C  CG  . TYR A 1 190 ? -19.002 -1.642  27.346  1.000 10.318  ? 191 TYR AAA CG  1 ? 
ATOM   1530 C  CD1 . TYR A 1 190 ? -18.092 -1.033  28.203  1.000 11.819  ? 191 TYR AAA CD1 1 ? 
ATOM   1531 C  CD2 . TYR A 1 190 ? -20.294 -1.136  27.308  1.000 11.155  ? 191 TYR AAA CD2 1 ? 
ATOM   1532 C  CE1 . TYR A 1 190 ? -18.463 0.025   29.021  1.000 11.151  ? 191 TYR AAA CE1 1 ? 
ATOM   1533 C  CE2 . TYR A 1 190 ? -20.641 -0.055  28.076  1.000 10.896  ? 191 TYR AAA CE2 1 ? 
ATOM   1534 C  CZ  . TYR A 1 190 ? -19.741 0.525   28.934  1.000 10.829  ? 191 TYR AAA CZ  1 ? 
ATOM   1535 O  OH  . TYR A 1 190 ? -20.035 1.566   29.774  1.000 13.233  ? 191 TYR AAA OH  1 ? 
ATOM   1536 N  N   . TRP A 1 191 ? -16.603 -4.353  28.146  1.000 8.992   ? 192 TRP AAA N   1 ? 
ATOM   1537 C  CA  . TRP A 1 191 ? -15.493 -4.067  29.095  1.000 8.499   ? 192 TRP AAA CA  1 ? 
ATOM   1538 C  C   . TRP A 1 191 ? -14.808 -2.779  28.675  1.000 8.868   ? 192 TRP AAA C   1 ? 
ATOM   1539 O  O   . TRP A 1 191 ? -14.767 -2.513  27.481  1.000 10.113  ? 192 TRP AAA O   1 ? 
ATOM   1540 C  CB  . TRP A 1 191 ? -14.518 -5.207  29.109  1.000 8.697   ? 192 TRP AAA CB  1 ? 
ATOM   1541 C  CG  . TRP A 1 191 ? -14.996 -6.537  29.562  1.000 9.019   ? 192 TRP AAA CG  1 ? 
ATOM   1542 C  CD1 . TRP A 1 191 ? -15.237 -6.946  30.844  1.000 10.148  ? 192 TRP AAA CD1 1 ? 
ATOM   1543 C  CD2 . TRP A 1 191 ? -15.325 -7.638  28.684  1.000 9.656   ? 192 TRP AAA CD2 1 ? 
ATOM   1544 N  NE1 . TRP A 1 191 ? -15.677 -8.257  30.827  1.000 11.708  ? 192 TRP AAA NE1 1 ? 
ATOM   1545 C  CE2 . TRP A 1 191 ? -15.694 -8.702  29.515  1.000 10.345  ? 192 TRP AAA CE2 1 ? 
ATOM   1546 C  CE3 . TRP A 1 191 ? -15.211 -7.852  27.307  1.000 9.867   ? 192 TRP AAA CE3 1 ? 
ATOM   1547 C  CZ2 . TRP A 1 191 ? -16.007 -9.973  28.978  1.000 12.614  ? 192 TRP AAA CZ2 1 ? 
ATOM   1548 C  CZ3 . TRP A 1 191 ? -15.476 -9.106  26.795  1.000 11.619  ? 192 TRP AAA CZ3 1 ? 
ATOM   1549 C  CH2 . TRP A 1 191 ? -15.911 -10.141 27.615  1.000 11.981  ? 192 TRP AAA CH2 1 ? 
ATOM   1550 N  N   . THR A 1 192 ? -14.279 -2.058  29.652  1.000 8.084   ? 193 THR AAA N   1 ? 
ATOM   1551 C  CA  . THR A 1 192 ? -13.589 -0.814  29.296  1.000 8.267   ? 193 THR AAA CA  1 ? 
ATOM   1552 C  C   . THR A 1 192 ? -12.309 -0.737  30.149  1.000 8.559   ? 193 THR AAA C   1 ? 
ATOM   1553 O  O   . THR A 1 192 ? -12.298 -1.050  31.341  1.000 9.319   ? 193 THR AAA O   1 ? 
ATOM   1554 C  CB  . THR A 1 192 ? -14.473 0.416   29.375  1.000 8.665   ? 193 THR AAA CB  1 ? 
ATOM   1555 O  OG1 . THR A 1 192 ? -13.778 1.597   28.964  1.000 9.344   ? 193 THR AAA OG1 1 ? 
ATOM   1556 C  CG2 . THR A 1 192 ? -15.030 0.576   30.753  1.000 9.711   ? 193 THR AAA CG2 1 ? 
ATOM   1557 N  N   . TYR A 1 193 ? -11.254 -0.112  29.572  1.000 8.925   ? 194 TYR AAA N   1 ? 
ATOM   1558 C  CA  . TYR A 1 193 ? -10.027 0.219   30.313  1.000 8.270   ? 194 TYR AAA CA  1 ? 
ATOM   1559 C  C   . TYR A 1 193 ? -9.300  1.267   29.495  1.000 7.536   ? 194 TYR AAA C   1 ? 
ATOM   1560 O  O   . TYR A 1 193 ? -9.484  1.424   28.298  1.000 8.359   ? 194 TYR AAA O   1 ? 
ATOM   1561 C  CB  . TYR A 1 193 ? -9.168  -1.063  30.490  1.000 8.313   ? 194 TYR AAA CB  1 ? 
ATOM   1562 C  CG  . TYR A 1 193 ? -8.510  -1.537  29.230  1.000 8.460   ? 194 TYR AAA CG  1 ? 
ATOM   1563 C  CD1 . TYR A 1 193 ? -9.153  -2.269  28.247  1.000 8.214   ? 194 TYR AAA CD1 1 ? 
ATOM   1564 C  CD2 . TYR A 1 193 ? -7.170  -1.199  29.020  1.000 8.764   ? 194 TYR AAA CD2 1 ? 
ATOM   1565 C  CE1 . TYR A 1 193 ? -8.545  -2.607  27.062  1.000 8.539   ? 194 TYR AAA CE1 1 ? 
ATOM   1566 C  CE2 . TYR A 1 193 ? -6.583  -1.527  27.819  1.000 8.288   ? 194 TYR AAA CE2 1 ? 
ATOM   1567 C  CZ  . TYR A 1 193 ? -7.196  -2.271  26.859  1.000 8.070   ? 194 TYR AAA CZ  1 ? 
ATOM   1568 O  OH  . TYR A 1 193 ? -6.605  -2.564  25.662  1.000 8.296   ? 194 TYR AAA OH  1 ? 
ATOM   1569 N  N   . PRO A 1 194 ? -8.314  1.965   30.162  1.000 8.573   ? 195 PRO AAA N   1 ? 
ATOM   1570 C  CA  . PRO A 1 194 ? -7.499  2.975   29.480  1.000 8.257   ? 195 PRO AAA CA  1 ? 
ATOM   1571 C  C   . PRO A 1 194 ? -6.276  2.311   28.823  1.000 8.258   ? 195 PRO AAA C   1 ? 
ATOM   1572 O  O   . PRO A 1 194 ? -5.540  1.557   29.509  1.000 8.344   ? 195 PRO AAA O   1 ? 
ATOM   1573 C  CB  . PRO A 1 194 ? -7.036  3.884   30.648  1.000 8.902   ? 195 PRO AAA CB  1 ? 
ATOM   1574 C  CG  . PRO A 1 194 ? -7.034  2.975   31.866  1.000 10.317  ? 195 PRO AAA CG  1 ? 
ATOM   1575 C  CD  . PRO A 1 194 ? -8.158  1.999   31.617  1.000 9.623   ? 195 PRO AAA CD  1 ? 
ATOM   1576 N  N   . GLY A 1 195 ? -6.080  2.579   27.548  1.000 8.439   ? 196 GLY AAA N   1 ? 
ATOM   1577 C  CA  . GLY A 1 195 ? -4.920  1.978   26.869  1.000 8.098   ? 196 GLY AAA CA  1 ? 
ATOM   1578 C  C   . GLY A 1 195 ? -4.405  2.834   25.771  1.000 7.972   ? 196 GLY AAA C   1 ? 
ATOM   1579 O  O   . GLY A 1 195 ? -4.298  4.059   25.889  1.000 8.844   ? 196 GLY AAA O   1 ? 
ATOM   1580 N  N   . SER A 1 196 ? -3.994  2.205   24.724  1.000 7.042   ? 197 SER AAA N   1 ? 
ATOM   1581 C  CA  . SER A 1 196 ? -3.166  2.778   23.654  1.000 7.833   ? 197 SER AAA CA  1 ? 
ATOM   1582 C  C   . SER A 1 196 ? -3.571  2.414   22.256  1.000 6.576   ? 197 SER AAA C   1 ? 
ATOM   1583 O  O   . SER A 1 196 ? -4.334  1.439   22.077  1.000 8.420   ? 197 SER AAA O   1 ? 
ATOM   1584 C  CB  . SER A 1 196 ? -1.645  2.409   23.801  1.000 9.884   ? 197 SER AAA CB  1 ? 
ATOM   1585 O  OG  . SER A 1 196 ? -1.417  1.056   23.425  1.000 9.945   ? 197 SER AAA OG  1 ? 
ATOM   1586 N  N   . LEU A 1 197 ? -3.039  3.028   21.237  1.000 7.935   ? 198 LEU AAA N   1 ? 
ATOM   1587 C  CA  . LEU A 1 197 ? -3.022  2.499   19.916  1.000 8.209   ? 198 LEU AAA CA  1 ? 
ATOM   1588 C  C   . LEU A 1 197 ? -2.386  1.143   19.940  1.000 8.101   ? 198 LEU AAA C   1 ? 
ATOM   1589 O  O   . LEU A 1 197 ? -1.307  0.985   20.681  1.000 10.062  ? 198 LEU AAA O   1 ? 
ATOM   1590 C  CB  . LEU A 1 197 ? -2.346  3.444   18.918  1.000 7.956   ? 198 LEU AAA CB  1 ? 
ATOM   1591 C  CG  . LEU A 1 197 ? -2.831  4.861   18.895  1.000 8.567   ? 198 LEU AAA CG  1 ? 
ATOM   1592 C  CD1 . LEU A 1 197 ? -1.966  5.652   17.929  1.000 9.767   ? 198 LEU AAA CD1 1 ? 
ATOM   1593 C  CD2 . LEU A 1 197 ? -4.278  4.937   18.462  1.000 9.603   ? 198 LEU AAA CD2 1 ? 
ATOM   1594 N  N   . THR A 1 198 ? -2.734  0.198   19.140  1.000 8.957   ? 199 THR AAA N   1 ? 
ATOM   1595 C  CA  . THR A 1 198 ? -2.121  -1.134  19.133  1.000 7.861   ? 199 THR AAA CA  1 ? 
ATOM   1596 C  C   . THR A 1 198 ? -1.066  -1.259  18.019  1.000 8.358   ? 199 THR AAA C   1 ? 
ATOM   1597 O  O   . THR A 1 198 ? -0.471  -2.331  17.902  1.000 8.965   ? 199 THR AAA O   1 ? 
ATOM   1598 C  CB  . THR A 1 198 ? -3.122  -2.268  18.993  1.000 7.871   ? 199 THR AAA CB  1 ? 
ATOM   1599 O  OG1 . THR A 1 198 ? -3.698  -2.176  17.651  1.000 8.836   ? 199 THR AAA OG1 1 ? 
ATOM   1600 C  CG2 . THR A 1 198 ? -4.197  -2.217  20.099  1.000 8.193   ? 199 THR AAA CG2 1 ? 
ATOM   1601 N  N   . THR A 1 199 ? -0.847  -0.192  17.263  1.000 9.424   ? 200 THR AAA N   1 ? 
ATOM   1602 C  CA  . THR A 1 199 ? 0.271   -0.161  16.301  1.000 9.084   ? 200 THR AAA CA  1 ? 
ATOM   1603 C  C   . THR A 1 199 ? 1.068   1.067   16.607  1.000 9.527   ? 200 THR AAA C   1 ? 
ATOM   1604 O  O   . THR A 1 199 ? 0.596   2.029   17.223  1.000 9.951   ? 200 THR AAA O   1 ? 
ATOM   1605 C  CB  . THR A 1 199 ? -0.199  -0.058  14.830  1.000 10.898  ? 200 THR AAA CB  1 ? 
ATOM   1606 O  OG1 . THR A 1 199 ? -0.695  1.242   14.622  1.000 13.775  ? 200 THR AAA OG1 1 ? 
ATOM   1607 C  CG2 . THR A 1 199 ? -1.247  -1.081  14.487  1.000 9.587   ? 200 THR AAA CG2 1 ? 
ATOM   1608 N  N   . PRO A 1 200 ? 2.366   1.123   16.155  1.000 10.092  ? 201 PRO AAA N   1 ? 
ATOM   1609 C  CA  . PRO A 1 200 ? 3.080   2.390   16.165  1.000 9.330   ? 201 PRO AAA CA  1 ? 
ATOM   1610 C  C   . PRO A 1 200 ? 2.212   3.494   15.619  1.000 9.133   ? 201 PRO AAA C   1 ? 
ATOM   1611 O  O   . PRO A 1 200 ? 1.537   3.256   14.618  1.000 10.786  ? 201 PRO AAA O   1 ? 
ATOM   1612 C  CB  . PRO A 1 200 ? 4.308   2.062   15.322  1.000 11.788  ? 201 PRO AAA CB  1 ? 
ATOM   1613 C  CG  . PRO A 1 200 ? 4.536   0.588   15.598  1.000 10.851  ? 201 PRO AAA CG  1 ? 
ATOM   1614 C  CD  . PRO A 1 200 ? 3.138   0.025   15.542  1.000 8.924   ? 201 PRO AAA CD  1 ? 
ATOM   1615 N  N   . PRO A 1 201 ? 2.185   4.681   16.243  1.000 9.670   ? 202 PRO AAA N   1 ? 
ATOM   1616 C  CA  . PRO A 1 201 ? 3.123   5.123   17.290  1.000 9.130   ? 202 PRO AAA CA  1 ? 
ATOM   1617 C  C   . PRO A 1 201 ? 2.764   4.753   18.738  1.000 9.476   ? 202 PRO AAA C   1 ? 
ATOM   1618 O  O   . PRO A 1 201 ? 3.370   5.229   19.668  1.000 10.065  ? 202 PRO AAA O   1 ? 
ATOM   1619 C  CB  . PRO A 1 201 ? 3.023   6.657   17.095  1.000 10.594  ? 202 PRO AAA CB  1 ? 
ATOM   1620 C  CG  . PRO A 1 201 ? 1.630   6.931   16.656  1.000 11.478  ? 202 PRO AAA CG  1 ? 
ATOM   1621 C  CD  . PRO A 1 201 ? 1.390   5.789   15.696  1.000 10.477  ? 202 PRO AAA CD  1 ? 
ATOM   1622 N  N   . LEU A 1 202 ? 1.750   3.871   18.944  1.000 10.554  ? 203 LEU AAA N   1 ? 
ATOM   1623 C  CA  A LEU A 1 202 ? 1.492   3.244   20.262  0.750 9.735   ? 203 LEU AAA CA  1 ? 
ATOM   1624 C  C   . LEU A 1 202 ? 1.150   4.284   21.330  1.000 9.959   ? 203 LEU AAA C   1 ? 
ATOM   1625 O  O   . LEU A 1 202 ? 1.283   4.033   22.495  1.000 9.897   ? 203 LEU AAA O   1 ? 
ATOM   1626 C  CB  A LEU A 1 202 ? 2.696   2.356   20.696  0.750 8.939   ? 203 LEU AAA CB  1 ? 
ATOM   1627 C  CG  A LEU A 1 202 ? 2.972   1.192   19.766  0.750 9.813   ? 203 LEU AAA CG  1 ? 
ATOM   1628 C  CD1 A LEU A 1 202 ? 4.337   0.577   20.105  0.750 11.662  ? 203 LEU AAA CD1 1 ? 
ATOM   1629 C  CD2 A LEU A 1 202 ? 1.875   0.105   19.792  0.750 7.599   ? 203 LEU AAA CD2 1 ? 
ATOM   1630 N  N   . LEU A 1 203 ? 0.541   5.385   20.886  1.000 9.466   ? 204 LEU AAA N   1 ? 
ATOM   1631 C  CA  . LEU A 1 203 ? 0.216   6.513   21.773  1.000 9.504   ? 204 LEU AAA CA  1 ? 
ATOM   1632 C  C   . LEU A 1 203 ? -0.810  6.114   22.829  1.000 8.470   ? 204 LEU AAA C   1 ? 
ATOM   1633 O  O   . LEU A 1 203 ? -1.821  5.400   22.473  1.000 9.424   ? 204 LEU AAA O   1 ? 
ATOM   1634 C  CB  . LEU A 1 203 ? -0.244  7.716   20.968  1.000 10.091  ? 204 LEU AAA CB  1 ? 
ATOM   1635 C  CG  . LEU A 1 203 ? 0.810   8.270   20.038  1.000 11.464  ? 204 LEU AAA CG  1 ? 
ATOM   1636 C  CD1 . LEU A 1 203 ? 0.208   9.297   19.141  1.000 12.862  ? 204 LEU AAA CD1 1 ? 
ATOM   1637 C  CD2 . LEU A 1 203 ? 1.942   8.903   20.842  1.000 15.402  ? 204 LEU AAA CD2 1 ? 
ATOM   1638 N  N   . GLU A 1 204 ? -0.660  6.557   24.053  1.000 9.057   ? 205 GLU AAA N   1 ? 
ATOM   1639 C  CA  . GLU A 1 204 ? -1.498  6.191   25.205  1.000 9.632   ? 205 GLU AAA CA  1 ? 
ATOM   1640 C  C   . GLU A 1 204 ? -2.670  7.165   25.329  1.000 9.126   ? 205 GLU AAA C   1 ? 
ATOM   1641 O  O   . GLU A 1 204 ? -2.769  7.944   26.276  1.000 12.232  ? 205 GLU AAA O   1 ? 
ATOM   1642 C  CB  . GLU A 1 204 ? -0.623  6.066   26.441  1.000 10.042  ? 205 GLU AAA CB  1 ? 
ATOM   1643 C  CG  . GLU A 1 204 ? 0.270   4.856   26.317  1.000 9.738   ? 205 GLU AAA CG  1 ? 
ATOM   1644 C  CD  . GLU A 1 204 ? 1.211   4.569   27.472  1.000 11.162  ? 205 GLU AAA CD  1 ? 
ATOM   1645 O  OE1 . GLU A 1 204 ? 1.527   5.528   28.233  1.000 14.987  ? 205 GLU AAA OE1 1 ? 
ATOM   1646 O  OE2 . GLU A 1 204 ? 1.630   3.414   27.596  1.000 11.269  ? 205 GLU AAA OE2 1 ? 
ATOM   1647 N  N   . CYS A 1 205 ? -3.558  7.077   24.360  1.000 8.381   ? 206 CYS AAA N   1 ? 
ATOM   1648 C  CA  . CYS A 1 205 ? -4.593  8.088   24.132  1.000 9.741   ? 206 CYS AAA CA  1 ? 
ATOM   1649 C  C   . CYS A 1 205 ? -6.018  7.489   24.014  1.000 8.831   ? 206 CYS AAA C   1 ? 
ATOM   1650 O  O   . CYS A 1 205 ? -6.958  8.208   23.690  1.000 10.623  ? 206 CYS AAA O   1 ? 
ATOM   1651 C  CB  . CYS A 1 205 ? -4.315  8.922   22.913  1.000 10.969  ? 206 CYS AAA CB  1 ? 
ATOM   1652 S  SG  . CYS A 1 205 ? -4.282  7.959   21.395  1.000 10.963  ? 206 CYS AAA SG  1 ? 
ATOM   1653 N  N   . VAL A 1 206 ? -6.172  6.188   24.291  1.000 9.471   ? 207 VAL AAA N   1 ? 
ATOM   1654 C  CA  . VAL A 1 206 ? -7.424  5.457   23.954  1.000 8.634   ? 207 VAL AAA CA  1 ? 
ATOM   1655 C  C   . VAL A 1 206 ? -8.139  5.042   25.214  1.000 7.679   ? 207 VAL AAA C   1 ? 
ATOM   1656 O  O   . VAL A 1 206 ? -7.608  4.374   26.093  1.000 9.780   ? 207 VAL AAA O   1 ? 
ATOM   1657 C  CB  . VAL A 1 206 ? -7.091  4.221   23.113  1.000 8.230   ? 207 VAL AAA CB  1 ? 
ATOM   1658 C  CG1 . VAL A 1 206 ? -8.362  3.526   22.726  1.000 8.269   ? 207 VAL AAA CG1 1 ? 
ATOM   1659 C  CG2 . VAL A 1 206 ? -6.335  4.617   21.865  1.000 9.195   ? 207 VAL AAA CG2 1 ? 
ATOM   1660 N  N   . THR A 1 207 ? -9.464  5.327   25.187  1.000 7.969   ? 208 THR AAA N   1 ? 
ATOM   1661 C  CA  . THR A 1 207 ? -10.434 4.612   26.047  1.000 7.598   ? 208 THR AAA CA  1 ? 
ATOM   1662 C  C   . THR A 1 207 ? -10.934 3.438   25.252  1.000 7.605   ? 208 THR AAA C   1 ? 
ATOM   1663 O  O   . THR A 1 207 ? -11.610 3.621   24.219  1.000 7.755   ? 208 THR AAA O   1 ? 
ATOM   1664 C  CB  . THR A 1 207 ? -11.570 5.483   26.532  1.000 8.472   ? 208 THR AAA CB  1 ? 
ATOM   1665 O  OG1 . THR A 1 207 ? -11.087 6.607   27.236  1.000 10.303  ? 208 THR AAA OG1 1 ? 
ATOM   1666 C  CG2 . THR A 1 207 ? -12.470 4.726   27.469  1.000 10.511  ? 208 THR AAA CG2 1 ? 
ATOM   1667 N  N   . TRP A 1 208 ? -10.563 2.236   25.648  1.000 8.699   ? 209 TRP AAA N   1 ? 
ATOM   1668 C  CA  . TRP A 1 208 ? -10.993 1.010   24.987  1.000 7.834   ? 209 TRP AAA CA  1 ? 
ATOM   1669 C  C   . TRP A 1 208 ? -12.391 0.617   25.499  1.000 7.102   ? 209 TRP AAA C   1 ? 
ATOM   1670 O  O   . TRP A 1 208 ? -12.584 0.561   26.689  1.000 8.046   ? 209 TRP AAA O   1 ? 
ATOM   1671 C  CB  . TRP A 1 208 ? -10.019 -0.126  25.175  1.000 6.981   ? 209 TRP AAA CB  1 ? 
ATOM   1672 C  CG  . TRP A 1 208 ? -8.882  -0.027  24.194  1.000 8.224   ? 209 TRP AAA CG  1 ? 
ATOM   1673 C  CD1 . TRP A 1 208 ? -7.616  0.562   24.409  1.000 8.392   ? 209 TRP AAA CD1 1 ? 
ATOM   1674 C  CD2 . TRP A 1 208 ? -8.891  -0.398  22.822  1.000 7.543   ? 209 TRP AAA CD2 1 ? 
ATOM   1675 N  NE1 . TRP A 1 208 ? -6.953  0.579   23.228  1.000 8.410   ? 209 TRP AAA NE1 1 ? 
ATOM   1676 C  CE2 . TRP A 1 208 ? -7.647  -0.038  22.237  1.000 7.413   ? 209 TRP AAA CE2 1 ? 
ATOM   1677 C  CE3 . TRP A 1 208 ? -9.852  -1.074  22.040  1.000 7.475   ? 209 TRP AAA CE3 1 ? 
ATOM   1678 C  CZ2 . TRP A 1 208 ? -7.412  -0.255  20.910  1.000 8.177   ? 209 TRP AAA CZ2 1 ? 
ATOM   1679 C  CZ3 . TRP A 1 208 ? -9.581  -1.324  20.736  1.000 8.084   ? 209 TRP AAA CZ3 1 ? 
ATOM   1680 C  CH2 . TRP A 1 208 ? -8.366  -0.947  20.188  1.000 8.136   ? 209 TRP AAA CH2 1 ? 
ATOM   1681 N  N   . ILE A 1 209 ? -13.228 0.251   24.544  1.000 7.360   ? 210 ILE AAA N   1 ? 
ATOM   1682 C  CA  . ILE A 1 209 ? -14.579 -0.287  24.853  1.000 8.636   ? 210 ILE AAA CA  1 ? 
ATOM   1683 C  C   . ILE A 1 209 ? -14.659 -1.567  24.036  1.000 9.136   ? 210 ILE AAA C   1 ? 
ATOM   1684 O  O   . ILE A 1 209 ? -14.761 -1.482  22.820  1.000 8.851   ? 210 ILE AAA O   1 ? 
ATOM   1685 C  CB  . ILE A 1 209 ? -15.666 0.740   24.509  1.000 9.448   ? 210 ILE AAA CB  1 ? 
ATOM   1686 C  CG1 . ILE A 1 209 ? -15.468 2.015   25.322  1.000 11.211  ? 210 ILE AAA CG1 1 ? 
ATOM   1687 C  CG2 . ILE A 1 209 ? -17.081 0.151   24.727  1.000 10.539  ? 210 ILE AAA CG2 1 ? 
ATOM   1688 C  CD1 . ILE A 1 209 ? -16.319 3.183   24.788  1.000 11.549  ? 210 ILE AAA CD1 1 ? 
ATOM   1689 N  N   . VAL A 1 210 ? -14.608 -2.711  24.674  1.000 8.998   ? 211 VAL AAA N   1 ? 
ATOM   1690 C  CA  . VAL A 1 210 ? -14.568 -4.013  23.983  1.000 8.257   ? 211 VAL AAA CA  1 ? 
ATOM   1691 C  C   . VAL A 1 210 ? -15.917 -4.723  24.261  1.000 7.937   ? 211 VAL AAA C   1 ? 
ATOM   1692 O  O   . VAL A 1 210 ? -16.225 -4.987  25.404  1.000 9.013   ? 211 VAL AAA O   1 ? 
ATOM   1693 C  CB  . VAL A 1 210 ? -13.353 -4.842  24.421  1.000 8.196   ? 211 VAL AAA CB  1 ? 
ATOM   1694 C  CG1 . VAL A 1 210 ? -13.360 -6.205  23.728  1.000 8.551   ? 211 VAL AAA CG1 1 ? 
ATOM   1695 C  CG2 . VAL A 1 210 ? -12.078 -4.075  24.212  1.000 9.464   ? 211 VAL AAA CG2 1 ? 
ATOM   1696 N  N   . LEU A 1 211 ? -16.604 -4.999  23.184  1.000 8.104   ? 212 LEU AAA N   1 ? 
ATOM   1697 C  CA  . LEU A 1 211 ? -17.913 -5.643  23.328  1.000 8.773   ? 212 LEU AAA CA  1 ? 
ATOM   1698 C  C   . LEU A 1 211 ? -17.761 -7.117  23.707  1.000 8.604   ? 212 LEU AAA C   1 ? 
ATOM   1699 O  O   . LEU A 1 211 ? -16.908 -7.841  23.186  1.000 9.677   ? 212 LEU AAA O   1 ? 
ATOM   1700 C  CB  . LEU A 1 211 ? -18.768 -5.518  22.053  1.000 9.769   ? 212 LEU AAA CB  1 ? 
ATOM   1701 C  CG  . LEU A 1 211 ? -19.141 -4.108  21.654  1.000 10.625  ? 212 LEU AAA CG  1 ? 
ATOM   1702 C  CD1 . LEU A 1 211 ? -20.152 -4.161  20.506  1.000 12.104  ? 212 LEU AAA CD1 1 ? 
ATOM   1703 C  CD2 . LEU A 1 211 ? -19.703 -3.295  22.789  1.000 12.604  ? 212 LEU AAA CD2 1 ? 
ATOM   1704 N  N   . LYS A 1 212 ? -18.643 -7.573  24.594  1.000 10.069  ? 213 LYS AAA N   1 ? 
ATOM   1705 C  CA  A LYS A 1 212 ? -18.578 -8.968  25.033  1.000 11.366  ? 213 LYS AAA CA  1 ? 
ATOM   1706 C  C   . LYS A 1 212 ? -19.036 -9.921  23.934  1.000 9.906   ? 213 LYS AAA C   1 ? 
ATOM   1707 O  O   . LYS A 1 212 ? -18.562 -11.029 23.831  1.000 11.898  ? 213 LYS AAA O   1 ? 
ATOM   1708 C  CB  A LYS A 1 212 ? -19.387 -9.182  26.293  1.000 15.582  ? 213 LYS AAA CB  1 ? 
ATOM   1709 C  CG  A LYS A 1 212 ? -19.512 -10.645 26.737  1.000 18.679  ? 213 LYS AAA CG  1 ? 
ATOM   1710 C  CD  A LYS A 1 212 ? -20.109 -10.840 28.071  1.000 29.678  ? 213 LYS AAA CD  1 ? 
ATOM   1711 C  CE  A LYS A 1 212 ? -20.230 -12.298 28.446  1.000 36.600  ? 213 LYS AAA CE  1 ? 
ATOM   1712 N  NZ  A LYS A 1 212 ? -20.835 -12.452 29.786  1.000 45.907  ? 213 LYS AAA NZ  1 ? 
ATOM   1713 N  N   . GLU A 1 213 ? -20.075 -9.539  23.211  1.000 9.831   ? 214 GLU AAA N   1 ? 
ATOM   1714 C  CA  . GLU A 1 213 ? -20.651 -10.458 22.229  1.000 10.000  ? 214 GLU AAA CA  1 ? 
ATOM   1715 C  C   . GLU A 1 213 ? -19.924 -10.371 20.901  1.000 9.638   ? 214 GLU AAA C   1 ? 
ATOM   1716 O  O   . GLU A 1 213 ? -19.861 -9.293  20.308  1.000 10.685  ? 214 GLU AAA O   1 ? 
ATOM   1717 C  CB  . GLU A 1 213 ? -22.094 -10.066 21.972  1.000 11.003  ? 214 GLU AAA CB  1 ? 
ATOM   1718 C  CG  . GLU A 1 213 ? -22.839 -11.080 21.104  1.000 14.234  ? 214 GLU AAA CG  1 ? 
ATOM   1719 C  CD  . GLU A 1 213 ? -24.321 -10.946 20.870  1.000 21.836  ? 214 GLU AAA CD  1 ? 
ATOM   1720 O  OE1 . GLU A 1 213 ? -24.890 -9.975  21.299  1.000 16.039  ? 214 GLU AAA OE1 1 ? 
ATOM   1721 O  OE2 . GLU A 1 213 ? -24.897 -11.970 20.378  1.000 31.594  ? 214 GLU AAA OE2 1 ? 
ATOM   1722 N  N   . PRO A 1 214 ? -19.359 -11.472 20.421  1.000 9.722   ? 215 PRO AAA N   1 ? 
ATOM   1723 C  CA  . PRO A 1 214 ? -18.708 -11.441 19.133  1.000 9.352   ? 215 PRO AAA CA  1 ? 
ATOM   1724 C  C   . PRO A 1 214 ? -19.720 -11.398 17.994  1.000 9.709   ? 215 PRO AAA C   1 ? 
ATOM   1725 O  O   . PRO A 1 214 ? -20.877 -11.762 18.187  1.000 13.187  ? 215 PRO AAA O   1 ? 
ATOM   1726 C  CB  . PRO A 1 214 ? -17.951 -12.755 19.061  1.000 11.192  ? 215 PRO AAA CB  1 ? 
ATOM   1727 C  CG  . PRO A 1 214 ? -18.686 -13.685 19.945  1.000 19.027  ? 215 PRO AAA CG  1 ? 
ATOM   1728 C  CD  . PRO A 1 214 ? -19.319 -12.821 21.017  1.000 12.472  ? 215 PRO AAA CD  1 ? 
ATOM   1729 N  N   . ILE A 1 215 ? -19.303 -10.989 16.822  1.000 9.887   ? 216 ILE AAA N   1 ? 
ATOM   1730 C  CA  . ILE A 1 215 ? -20.076 -11.196 15.594  1.000 10.426  ? 216 ILE AAA CA  1 ? 
ATOM   1731 C  C   . ILE A 1 215 ? -19.539 -12.457 14.927  1.000 10.899  ? 216 ILE AAA C   1 ? 
ATOM   1732 O  O   . ILE A 1 215 ? -18.377 -12.825 15.088  1.000 10.476  ? 216 ILE AAA O   1 ? 
ATOM   1733 C  CB  . ILE A 1 215 ? -20.062 -9.967  14.662  1.000 10.451  ? 216 ILE AAA CB  1 ? 
ATOM   1734 C  CG1 . ILE A 1 215 ? -18.678 -9.589  14.189  1.000 10.776  ? 216 ILE AAA CG1 1 ? 
ATOM   1735 C  CG2 . ILE A 1 215 ? -20.735 -8.772  15.316  1.000 11.527  ? 216 ILE AAA CG2 1 ? 
ATOM   1736 C  CD1 . ILE A 1 215 ? -18.670 -8.602  13.007  1.000 12.464  ? 216 ILE AAA CD1 1 ? 
ATOM   1737 N  N   . SER A 1 216 ? -20.439 -13.077 14.168  1.000 11.199  ? 217 SER AAA N   1 ? 
ATOM   1738 C  CA  A SER A 1 216 ? -20.105 -14.264 13.354  0.500 13.004  ? 217 SER AAA CA  1 ? 
ATOM   1739 C  CA  B SER A 1 216 ? -20.081 -14.262 13.355  0.500 13.198  ? 217 SER AAA CA  1 ? 
ATOM   1740 C  C   . SER A 1 216 ? -19.853 -13.833 11.905  1.000 11.834  ? 217 SER AAA C   1 ? 
ATOM   1741 O  O   . SER A 1 216 ? -20.674 -13.099 11.335  1.000 13.260  ? 217 SER AAA O   1 ? 
ATOM   1742 C  CB  A SER A 1 216 ? -21.186 -15.322 13.451  0.500 16.177  ? 217 SER AAA CB  1 ? 
ATOM   1743 C  CB  B SER A 1 216 ? -21.099 -15.388 13.445  0.500 16.124  ? 217 SER AAA CB  1 ? 
ATOM   1744 O  OG  A SER A 1 216 ? -21.163 -15.961 14.724  0.500 18.125  ? 217 SER AAA OG  1 ? 
ATOM   1745 O  OG  B SER A 1 216 ? -20.636 -16.549 12.749  0.500 18.683  ? 217 SER AAA OG  1 ? 
ATOM   1746 N  N   . VAL A 1 217 ? -18.746 -14.286 11.330  1.000 11.358  ? 218 VAL AAA N   1 ? 
ATOM   1747 C  CA  . VAL A 1 217 ? -18.461 -14.130 9.888   1.000 11.303  ? 218 VAL AAA CA  1 ? 
ATOM   1748 C  C   . VAL A 1 217 ? -18.264 -15.509 9.279   1.000 11.644  ? 218 VAL AAA C   1 ? 
ATOM   1749 O  O   . VAL A 1 217 ? -17.872 -16.457 10.027  1.000 12.868  ? 218 VAL AAA O   1 ? 
ATOM   1750 C  CB  . VAL A 1 217 ? -17.246 -13.198 9.692   1.000 11.626  ? 218 VAL AAA CB  1 ? 
ATOM   1751 C  CG1 . VAL A 1 217 ? -17.486 -11.823 10.303  1.000 13.132  ? 218 VAL AAA CG1 1 ? 
ATOM   1752 C  CG2 . VAL A 1 217 ? -15.963 -13.807 10.196  1.000 13.372  ? 218 VAL AAA CG2 1 ? 
ATOM   1753 N  N   . SER A 1 218 ? -18.356 -15.639 7.974   1.000 11.682  ? 219 SER AAA N   1 ? 
ATOM   1754 C  CA  . SER A 1 218 ? -18.139 -16.975 7.385   1.000 11.965  ? 219 SER AAA CA  1 ? 
ATOM   1755 C  C   . SER A 1 218 ? -16.658 -17.236 7.084   1.000 12.534  ? 219 SER AAA C   1 ? 
ATOM   1756 O  O   . SER A 1 218 ? -15.851 -16.326 6.943   1.000 11.474  ? 219 SER AAA O   1 ? 
ATOM   1757 C  CB  . SER A 1 218 ? -18.949 -17.182 6.168   1.000 12.582  ? 219 SER AAA CB  1 ? 
ATOM   1758 O  OG  . SER A 1 218 ? -18.555 -16.272 5.184   1.000 13.446  ? 219 SER AAA OG  1 ? 
ATOM   1759 N  N   . SER A 1 219 ? -16.320 -18.493 6.938   1.000 13.712  ? 220 SER AAA N   1 ? 
ATOM   1760 C  CA  A SER A 1 219 ? -14.973 -18.880 6.482   0.500 14.130  ? 220 SER AAA CA  1 ? 
ATOM   1761 C  CA  B SER A 1 219 ? -14.954 -18.869 6.498   0.500 13.423  ? 220 SER AAA CA  1 ? 
ATOM   1762 C  C   . SER A 1 219 ? -14.644 -18.166 5.164   1.000 13.148  ? 220 SER AAA C   1 ? 
ATOM   1763 O  O   . SER A 1 219 ? -13.544 -17.677 5.002   1.000 14.840  ? 220 SER AAA O   1 ? 
ATOM   1764 C  CB  A SER A 1 219 ? -14.897 -20.352 6.351   0.500 17.697  ? 220 SER AAA CB  1 ? 
ATOM   1765 C  CB  B SER A 1 219 ? -14.774 -20.379 6.445   0.500 16.572  ? 220 SER AAA CB  1 ? 
ATOM   1766 O  OG  A SER A 1 219 ? -13.550 -20.686 6.208   0.500 23.004  ? 220 SER AAA OG  1 ? 
ATOM   1767 O  OG  B SER A 1 219 ? -15.760 -21.005 5.639   0.500 18.019  ? 220 SER AAA OG  1 ? 
ATOM   1768 N  N   . GLU A 1 220 ? -15.595 -18.051 4.256   1.000 12.847  ? 221 GLU AAA N   1 ? 
ATOM   1769 C  CA  . GLU A 1 220 ? -15.326 -17.414 2.950   1.000 13.638  ? 221 GLU AAA CA  1 ? 
ATOM   1770 C  C   . GLU A 1 220 ? -15.019 -15.928 3.146   1.000 12.778  ? 221 GLU AAA C   1 ? 
ATOM   1771 O  O   . GLU A 1 220 ? -14.157 -15.370 2.436   1.000 15.587  ? 221 GLU AAA O   1 ? 
ATOM   1772 C  CB  . GLU A 1 220 ? -16.491 -17.603 2.002   1.000 15.437  ? 221 GLU AAA CB  1 ? 
ATOM   1773 C  CG  . GLU A 1 220 ? -16.680 -19.050 1.565   1.000 18.138  ? 221 GLU AAA CG  1 ? 
ATOM   1774 C  CD  . GLU A 1 220 ? -17.601 -19.882 2.452   1.000 22.188  ? 221 GLU AAA CD  1 ? 
ATOM   1775 O  OE1 . GLU A 1 220 ? -18.019 -19.395 3.536   1.000 21.972  ? 221 GLU AAA OE1 1 ? 
ATOM   1776 O  OE2 . GLU A 1 220 ? -17.869 -21.043 2.093   1.000 34.946  ? 221 GLU AAA OE2 1 ? 
ATOM   1777 N  N   . GLN A 1 221 ? -15.700 -15.282 4.095   1.000 11.574  ? 222 GLN AAA N   1 ? 
ATOM   1778 C  CA  . GLN A 1 221 ? -15.475 -13.844 4.323   1.000 11.143  ? 222 GLN AAA CA  1 ? 
ATOM   1779 C  C   . GLN A 1 221 ? -14.049 -13.650 4.846   1.000 12.466  ? 222 GLN AAA C   1 ? 
ATOM   1780 O  O   . GLN A 1 221 ? -13.291 -12.791 4.368   1.000 12.598  ? 222 GLN AAA O   1 ? 
ATOM   1781 C  CB  . GLN A 1 221 ? -16.518 -13.264 5.271   1.000 11.959  ? 222 GLN AAA CB  1 ? 
ATOM   1782 C  CG  . GLN A 1 221 ? -17.893 -13.155 4.585   1.000 10.858  ? 222 GLN AAA CG  1 ? 
ATOM   1783 C  CD  . GLN A 1 221 ? -19.011 -12.625 5.466   1.000 10.361  ? 222 GLN AAA CD  1 ? 
ATOM   1784 O  OE1 . GLN A 1 221 ? -19.095 -12.976 6.626   1.000 11.222  ? 222 GLN AAA OE1 1 ? 
ATOM   1785 N  NE2 . GLN A 1 221 ? -19.846 -11.769 4.879   1.000 12.706  ? 222 GLN AAA NE2 1 ? 
ATOM   1786 N  N   . VAL A 1 222 ? -13.629 -14.413 5.859   1.000 12.588  ? 223 VAL AAA N   1 ? 
ATOM   1787 C  CA  . VAL A 1 222 ? -12.270 -14.165 6.435   1.000 13.169  ? 223 VAL AAA CA  1 ? 
ATOM   1788 C  C   . VAL A 1 222 ? -11.232 -14.620 5.417   1.000 12.196  ? 223 VAL AAA C   1 ? 
ATOM   1789 O  O   . VAL A 1 222 ? -10.147 -14.083 5.395   1.000 12.890  ? 223 VAL AAA O   1 ? 
ATOM   1790 C  CB  . VAL A 1 222 ? -12.146 -14.785 7.825   1.000 16.874  ? 223 VAL AAA CB  1 ? 
ATOM   1791 C  CG1 . VAL A 1 222 ? -12.146 -16.286 7.765   1.000 22.495  ? 223 VAL AAA CG1 1 ? 
ATOM   1792 C  CG2 . VAL A 1 222 ? -10.906 -14.289 8.528   1.000 17.821  ? 223 VAL AAA CG2 1 ? 
ATOM   1793 N  N   . LEU A 1 223 ? -11.491 -15.652 4.571   1.000 13.645  ? 224 LEU AAA N   1 ? 
ATOM   1794 C  CA  . LEU A 1 223 ? -10.507 -16.043 3.548   1.000 16.102  ? 224 LEU AAA CA  1 ? 
ATOM   1795 C  C   . LEU A 1 223 ? -10.191 -14.852 2.657   1.000 14.499  ? 224 LEU AAA C   1 ? 
ATOM   1796 O  O   . LEU A 1 223 ? -9.070  -14.776 2.201   1.000 15.683  ? 224 LEU AAA O   1 ? 
ATOM   1797 C  CB  . LEU A 1 223 ? -10.989 -17.254 2.751   1.000 20.719  ? 224 LEU AAA CB  1 ? 
ATOM   1798 C  CG  . LEU A 1 223 ? -10.899 -18.547 3.569   1.000 27.626  ? 224 LEU AAA CG  1 ? 
ATOM   1799 C  CD1 . LEU A 1 223 ? -11.723 -19.680 2.963   1.000 34.822  ? 224 LEU AAA CD1 1 ? 
ATOM   1800 C  CD2 . LEU A 1 223 ? -9.448  -18.954 3.786   1.000 29.537  ? 224 LEU AAA CD2 1 ? 
ATOM   1801 N  N   . LYS A 1 224 ? -11.170 -14.011 2.367   1.000 13.279  ? 225 LYS AAA N   1 ? 
ATOM   1802 C  CA  . LYS A 1 224 ? -10.941 -12.851 1.469   1.000 15.049  ? 225 LYS AAA CA  1 ? 
ATOM   1803 C  C   . LYS A 1 224 ? -10.098 -11.813 2.193   1.000 11.999  ? 225 LYS AAA C   1 ? 
ATOM   1804 O  O   . LYS A 1 224 ? -9.271  -11.198 1.524   1.000 13.145  ? 225 LYS AAA O   1 ? 
ATOM   1805 C  CB  . LYS A 1 224 ? -12.272 -12.330 0.936   1.000 17.118  ? 225 LYS AAA CB  1 ? 
ATOM   1806 C  CG  . LYS A 1 224 ? -12.910 -13.250 -0.111  1.000 24.488  ? 225 LYS AAA CG  1 ? 
ATOM   1807 C  CD  . LYS A 1 224 ? -14.215 -12.776 -0.733  1.000 30.790  ? 225 LYS AAA CD  1 ? 
ATOM   1808 C  CE  . LYS A 1 224 ? -14.511 -13.374 -2.106  1.000 38.700  ? 225 LYS AAA CE  1 ? 
ATOM   1809 N  NZ  . LYS A 1 224 ? -15.896 -13.894 -2.218  1.000 38.598  ? 225 LYS AAA NZ  1 ? 
ATOM   1810 N  N   . PHE A 1 225 ? -10.213 -11.687 3.501   1.000 11.419  ? 226 PHE AAA N   1 ? 
ATOM   1811 C  CA  . PHE A 1 225 ? -9.255  -10.815 4.216   1.000 10.344  ? 226 PHE AAA CA  1 ? 
ATOM   1812 C  C   . PHE A 1 225 ? -7.823  -11.307 3.979   1.000 9.695   ? 226 PHE AAA C   1 ? 
ATOM   1813 O  O   . PHE A 1 225 ? -6.914  -10.495 3.809   1.000 11.165  ? 226 PHE AAA O   1 ? 
ATOM   1814 C  CB  . PHE A 1 225 ? -9.490  -10.809 5.736   1.000 10.098  ? 226 PHE AAA CB  1 ? 
ATOM   1815 C  CG  . PHE A 1 225 ? -10.666 -10.000 6.233   1.000 11.010  ? 226 PHE AAA CG  1 ? 
ATOM   1816 C  CD1 . PHE A 1 225 ? -11.782 -9.627  5.487   1.000 17.026  ? 226 PHE AAA CD1 1 ? 
ATOM   1817 C  CD2 . PHE A 1 225 ? -10.759 -9.729  7.599   1.000 15.843  ? 226 PHE AAA CD2 1 ? 
ATOM   1818 C  CE1 . PHE A 1 225 ? -12.867 -8.942  6.031   1.000 18.828  ? 226 PHE AAA CE1 1 ? 
ATOM   1819 C  CE2 . PHE A 1 225 ? -11.826 -9.035  8.140   1.000 18.469  ? 226 PHE AAA CE2 1 ? 
ATOM   1820 C  CZ  . PHE A 1 225 ? -12.847 -8.563  7.357   1.000 15.356  ? 226 PHE AAA CZ  1 ? 
ATOM   1821 N  N   . ARG A 1 226 ? -7.625  -12.625 4.050   1.000 10.228  ? 227 ARG AAA N   1 ? 
ATOM   1822 C  CA  . ARG A 1 226 ? -6.294  -13.236 4.008   1.000 10.334  ? 227 ARG AAA CA  1 ? 
ATOM   1823 C  C   . ARG A 1 226 ? -5.724  -13.223 2.601   1.000 10.837  ? 227 ARG AAA C   1 ? 
ATOM   1824 O  O   . ARG A 1 226 ? -4.575  -13.603 2.484   1.000 12.913  ? 227 ARG AAA O   1 ? 
ATOM   1825 C  CB  . ARG A 1 226 ? -6.397  -14.655 4.541   1.000 11.965  ? 227 ARG AAA CB  1 ? 
ATOM   1826 C  CG  . ARG A 1 226 ? -6.851  -14.759 5.988   1.000 11.054  ? 227 ARG AAA CG  1 ? 
ATOM   1827 C  CD  . ARG A 1 226 ? -6.969  -16.193 6.412   1.000 13.761  ? 227 ARG AAA CD  1 ? 
ATOM   1828 N  NE  . ARG A 1 226 ? -7.401  -16.355 7.798   1.000 12.782  ? 227 ARG AAA NE  1 ? 
ATOM   1829 C  CZ  . ARG A 1 226 ? -8.266  -17.259 8.230   1.000 13.356  ? 227 ARG AAA CZ  1 ? 
ATOM   1830 N  NH1 . ARG A 1 226 ? -8.654  -18.195 7.390   1.000 18.301  ? 227 ARG AAA NH1 1 ? 
ATOM   1831 N  NH2 . ARG A 1 226 ? -8.703  -17.301 9.476   1.000 15.617  ? 227 ARG AAA NH2 1 ? 
ATOM   1832 N  N   . LYS A 1 227 ? -6.421  -12.749 1.592   1.000 10.158  ? 228 LYS AAA N   1 ? 
ATOM   1833 C  CA  . LYS A 1 227 ? -5.885  -12.629 0.225   1.000 11.943  ? 228 LYS AAA CA  1 ? 
ATOM   1834 C  C   . LYS A 1 227 ? -5.298  -11.240 0.003   1.000 10.649  ? 228 LYS AAA C   1 ? 
ATOM   1835 O  O   . LYS A 1 227 ? -4.710  -11.039 -1.053  1.000 13.261  ? 228 LYS AAA O   1 ? 
ATOM   1836 C  CB  . LYS A 1 227 ? -6.975  -12.897 -0.812  1.000 15.433  ? 228 LYS AAA CB  1 ? 
ATOM   1837 C  CG  . LYS A 1 227 ? -7.440  -14.335 -0.916  1.000 22.198  ? 228 LYS AAA CG  1 ? 
ATOM   1838 C  CD  . LYS A 1 227 ? -8.529  -14.499 -1.988  1.000 32.937  ? 228 LYS AAA CD  1 ? 
ATOM   1839 C  CE  . LYS A 1 227 ? -9.295  -15.803 -1.895  1.000 44.168  ? 228 LYS AAA CE  1 ? 
ATOM   1840 N  NZ  . LYS A 1 227 ? -8.407  -16.963 -1.622  1.000 54.918  ? 228 LYS AAA NZ  1 ? 
ATOM   1841 N  N   . LEU A 1 228 ? -5.530  -10.315 0.932   1.000 9.985   ? 229 LEU AAA N   1 ? 
ATOM   1842 C  CA  . LEU A 1 228 ? -4.892  -9.000  0.833   1.000 10.138  ? 229 LEU AAA CA  1 ? 
ATOM   1843 C  C   . LEU A 1 228 ? -3.384  -9.152  0.923   1.000 10.600  ? 229 LEU AAA C   1 ? 
ATOM   1844 O  O   . LEU A 1 228 ? -2.861  -10.181 1.340   1.000 10.501  ? 229 LEU AAA O   1 ? 
ATOM   1845 C  CB  . LEU A 1 228 ? -5.413  -8.091  1.905   1.000 10.278  ? 229 LEU AAA CB  1 ? 
ATOM   1846 C  CG  . LEU A 1 228 ? -6.837  -7.624  1.715   1.000 11.690  ? 229 LEU AAA CG  1 ? 
ATOM   1847 C  CD1 . LEU A 1 228 ? -7.396  -7.047  3.001   1.000 12.503  ? 229 LEU AAA CD1 1 ? 
ATOM   1848 C  CD2 . LEU A 1 228 ? -6.911  -6.600  0.624   1.000 13.166  ? 229 LEU AAA CD2 1 ? 
ATOM   1849 N  N   . ASN A 1 229 ? -2.671  -8.096  0.503   1.000 10.087  ? 230 ASN AAA N   1 ? 
ATOM   1850 C  CA  . ASN A 1 229 ? -1.205  -8.068  0.528   1.000 10.221  ? 230 ASN AAA CA  1 ? 
ATOM   1851 C  C   . ASN A 1 229 ? -0.689  -6.940  1.415   1.000 10.533  ? 230 ASN AAA C   1 ? 
ATOM   1852 O  O   . ASN A 1 229 ? -1.195  -5.839  1.335   1.000 11.182  ? 230 ASN AAA O   1 ? 
ATOM   1853 C  CB  . ASN A 1 229 ? -0.647  -7.866  -0.877  1.000 12.059  ? 230 ASN AAA CB  1 ? 
ATOM   1854 C  CG  . ASN A 1 229 ? -0.694  -9.057  -1.797  1.000 12.670  ? 230 ASN AAA CG  1 ? 
ATOM   1855 O  OD1 . ASN A 1 229 ? -0.138  -8.930  -2.892  1.000 17.018  ? 230 ASN AAA OD1 1 ? 
ATOM   1856 N  ND2 . ASN A 1 229 ? -1.353  -10.143 -1.459  1.000 12.916  ? 230 ASN AAA ND2 1 ? 
ATOM   1857 N  N   . PHE A 1 230 ? 0.394   -7.225  2.142   1.000 9.712   ? 231 PHE AAA N   1 ? 
ATOM   1858 C  CA  . PHE A 1 230 ? 1.133   -6.163  2.832   1.000 10.071  ? 231 PHE AAA CA  1 ? 
ATOM   1859 C  C   . PHE A 1 230 ? 2.002   -5.360  1.834   1.000 11.498  ? 231 PHE AAA C   1 ? 
ATOM   1860 O  O   . PHE A 1 230 ? 2.202   -4.187  2.063   1.000 13.106  ? 231 PHE AAA O   1 ? 
ATOM   1861 C  CB  . PHE A 1 230 ? 2.130   -6.781  3.825   1.000 11.874  ? 231 PHE AAA CB  1 ? 
ATOM   1862 C  CG  . PHE A 1 230 ? 1.575   -7.369  5.106   1.000 10.417  ? 231 PHE AAA CG  1 ? 
ATOM   1863 C  CD1 . PHE A 1 230 ? 0.808   -6.601  5.964   1.000 11.809  ? 231 PHE AAA CD1 1 ? 
ATOM   1864 C  CD2 . PHE A 1 230 ? 1.896   -8.647  5.514   1.000 11.877  ? 231 PHE AAA CD2 1 ? 
ATOM   1865 C  CE1 . PHE A 1 230 ? 0.441   -7.086  7.205   1.000 11.217  ? 231 PHE AAA CE1 1 ? 
ATOM   1866 C  CE2 . PHE A 1 230 ? 1.450   -9.167  6.727   1.000 11.718  ? 231 PHE AAA CE2 1 ? 
ATOM   1867 C  CZ  . PHE A 1 230 ? 0.741   -8.381  7.572   1.000 11.031  ? 231 PHE AAA CZ  1 ? 
ATOM   1868 N  N   . ASN A 1 231 ? 2.483   -5.989  0.771   1.000 11.160  ? 232 ASN AAA N   1 ? 
ATOM   1869 C  CA  . ASN A 1 231 ? 3.327   -5.392  -0.269  1.000 12.235  ? 232 ASN AAA CA  1 ? 
ATOM   1870 C  C   . ASN A 1 231 ? 2.546   -4.466  -1.158  1.000 13.297  ? 232 ASN AAA C   1 ? 
ATOM   1871 O  O   . ASN A 1 231 ? 1.350   -4.562  -1.313  1.000 12.368  ? 232 ASN AAA O   1 ? 
ATOM   1872 C  CB  . ASN A 1 231 ? 4.029   -6.501  -1.083  1.000 12.668  ? 232 ASN AAA CB  1 ? 
ATOM   1873 C  CG  . ASN A 1 231 ? 2.974   -7.414  -1.679  1.000 12.555  ? 232 ASN AAA CG  1 ? 
ATOM   1874 O  OD1 . ASN A 1 231 ? 2.499   -8.286  -0.961  1.000 13.265  ? 232 ASN AAA OD1 1 ? 
ATOM   1875 N  ND2 . ASN A 1 231 ? 2.628   -7.214  -2.945  1.000 14.862  ? 232 ASN AAA ND2 1 ? 
ATOM   1876 N  N   . GLY A 1 232 ? 3.293   -3.605  -1.809  1.000 13.102  ? 233 GLY AAA N   1 ? 
ATOM   1877 C  CA  . GLY A 1 232 ? 2.824   -2.791  -2.909  1.000 14.562  ? 233 GLY AAA CA  1 ? 
ATOM   1878 C  C   . GLY A 1 232 ? 2.754   -3.580  -4.212  1.000 13.178  ? 233 GLY AAA C   1 ? 
ATOM   1879 O  O   . GLY A 1 232 ? 3.301   -4.689  -4.357  1.000 14.717  ? 233 GLY AAA O   1 ? 
ATOM   1880 N  N   . GLU A 1 233 ? 2.017   -3.037  -5.163  1.000 15.028  ? 234 GLU AAA N   1 ? 
ATOM   1881 C  CA  . GLU A 1 233 ? 1.889   -3.553  -6.538  1.000 14.309  ? 234 GLU AAA CA  1 ? 
ATOM   1882 C  C   . GLU A 1 233 ? 3.251   -3.756  -7.169  1.000 14.947  ? 234 GLU AAA C   1 ? 
ATOM   1883 O  O   . GLU A 1 233 ? 4.131   -2.931  -7.003  1.000 17.229  ? 234 GLU AAA O   1 ? 
ATOM   1884 C  CB  . GLU A 1 233 ? 1.077   -2.565  -7.391  1.000 15.616  ? 234 GLU AAA CB  1 ? 
ATOM   1885 C  CG  . GLU A 1 233 ? 0.677   -3.106  -8.750  1.000 17.663  ? 234 GLU AAA CG  1 ? 
ATOM   1886 C  CD  . GLU A 1 233 ? -0.145  -2.154  -9.590  1.000 24.073  ? 234 GLU AAA CD  1 ? 
ATOM   1887 O  OE1 . GLU A 1 233 ? -0.284  -0.949  -9.201  1.000 24.394  ? 234 GLU AAA OE1 1 ? 
ATOM   1888 O  OE2 . GLU A 1 233 ? -0.395  -2.552  -10.697 1.000 30.999  ? 234 GLU AAA OE2 1 ? 
ATOM   1889 N  N   . GLY A 1 234 ? 3.444   -4.894  -7.823  1.000 18.270  ? 235 GLY AAA N   1 ? 
ATOM   1890 C  CA  . GLY A 1 234 ? 4.676   -5.194  -8.551  1.000 21.249  ? 235 GLY AAA CA  1 ? 
ATOM   1891 C  C   . GLY A 1 234 ? 5.769   -5.706  -7.635  1.000 21.061  ? 235 GLY AAA C   1 ? 
ATOM   1892 O  O   . GLY A 1 234 ? 6.913   -5.842  -8.129  1.000 27.802  ? 235 GLY AAA O   1 ? 
ATOM   1893 N  N   . GLU A 1 235 ? 5.503   -5.895  -6.343  1.000 18.057  ? 236 GLU AAA N   1 ? 
ATOM   1894 C  CA  . GLU A 1 235 ? 6.502   -6.382  -5.353  1.000 16.828  ? 236 GLU AAA CA  1 ? 
ATOM   1895 C  C   . GLU A 1 235 ? 6.173   -7.834  -5.026  1.000 18.740  ? 236 GLU AAA C   1 ? 
ATOM   1896 O  O   . GLU A 1 235 ? 5.043   -8.263  -5.214  1.000 19.616  ? 236 GLU AAA O   1 ? 
ATOM   1897 C  CB  . GLU A 1 235 ? 6.491   -5.578  -4.057  1.000 18.700  ? 236 GLU AAA CB  1 ? 
ATOM   1898 C  CG  . GLU A 1 235 ? 6.803   -4.117  -4.206  1.000 21.746  ? 236 GLU AAA CG  1 ? 
ATOM   1899 C  CD  . GLU A 1 235 ? 6.598   -3.250  -2.954  1.000 30.851  ? 236 GLU AAA CD  1 ? 
ATOM   1900 O  OE1 . GLU A 1 235 ? 6.173   -3.728  -1.833  1.000 25.041  ? 236 GLU AAA OE1 1 ? 
ATOM   1901 O  OE2 . GLU A 1 235 ? 6.891   -2.054  -3.076  1.000 40.278  ? 236 GLU AAA OE2 1 ? 
ATOM   1902 N  N   . PRO A 1 236 ? 7.127   -8.642  -4.534  1.000 18.388  ? 237 PRO AAA N   1 ? 
ATOM   1903 C  CA  . PRO A 1 236 ? 6.853   -10.023 -4.149  1.000 20.085  ? 237 PRO AAA CA  1 ? 
ATOM   1904 C  C   . PRO A 1 236 ? 5.690   -10.070 -3.148  1.000 18.196  ? 237 PRO AAA C   1 ? 
ATOM   1905 O  O   . PRO A 1 236 ? 5.591   -9.253  -2.275  1.000 17.212  ? 237 PRO AAA O   1 ? 
ATOM   1906 C  CB  . PRO A 1 236 ? 8.148   -10.491 -3.505  1.000 26.102  ? 237 PRO AAA CB  1 ? 
ATOM   1907 C  CG  . PRO A 1 236 ? 9.174   -9.704  -4.276  1.000 27.460  ? 237 PRO AAA CG  1 ? 
ATOM   1908 C  CD  . PRO A 1 236 ? 8.543   -8.329  -4.388  1.000 22.652  ? 237 PRO AAA CD  1 ? 
ATOM   1909 N  N   . GLU A 1 237 ? 4.870   -11.094 -3.305  1.000 16.249  ? 238 GLU AAA N   1 ? 
ATOM   1910 C  CA  . GLU A 1 237 ? 3.617   -11.181 -2.567  1.000 14.128  ? 238 GLU AAA CA  1 ? 
ATOM   1911 C  C   . GLU A 1 237 ? 3.892   -11.605 -1.120  1.000 12.686  ? 238 GLU AAA C   1 ? 
ATOM   1912 O  O   . GLU A 1 237 ? 4.472   -12.668 -0.913  1.000 16.221  ? 238 GLU AAA O   1 ? 
ATOM   1913 C  CB  . GLU A 1 237 ? 2.632   -12.197 -3.179  1.000 17.804  ? 238 GLU AAA CB  1 ? 
ATOM   1914 C  CG  . GLU A 1 237 ? 1.282   -12.212 -2.480  1.000 23.822  ? 238 GLU AAA CG  1 ? 
ATOM   1915 C  CD  . GLU A 1 237 ? 0.131   -12.923 -3.169  1.000 28.832  ? 238 GLU AAA CD  1 ? 
ATOM   1916 O  OE1 . GLU A 1 237 ? 0.397   -14.036 -3.617  1.000 40.554  ? 238 GLU AAA OE1 1 ? 
ATOM   1917 O  OE2 . GLU A 1 237 ? -1.055  -12.401 -3.234  1.000 20.557  ? 238 GLU AAA OE2 1 ? 
ATOM   1918 N  N   . GLU A 1 238 ? 3.376   -10.844 -0.170  1.000 12.766  ? 239 GLU AAA N   1 ? 
ATOM   1919 C  CA  A GLU A 1 238 ? 3.365   -11.148 1.256   1.000 12.799  ? 239 GLU AAA CA  1 ? 
ATOM   1920 C  C   . GLU A 1 238 ? 1.924   -11.001 1.713   1.000 12.509  ? 239 GLU AAA C   1 ? 
ATOM   1921 O  O   . GLU A 1 238 ? 1.382   -9.894  1.782   1.000 12.653  ? 239 GLU AAA O   1 ? 
ATOM   1922 C  CB  A GLU A 1 238 ? 4.188   -10.121 2.029   1.000 16.563  ? 239 GLU AAA CB  1 ? 
ATOM   1923 C  CG  A GLU A 1 238 ? 5.650   -9.981  1.676   1.000 21.661  ? 239 GLU AAA CG  1 ? 
ATOM   1924 C  CD  A GLU A 1 238 ? 6.259   -8.870  2.518   1.000 32.102  ? 239 GLU AAA CD  1 ? 
ATOM   1925 O  OE1 A GLU A 1 238 ? 6.102   -7.652  2.111   1.000 44.910  ? 239 GLU AAA OE1 1 ? 
ATOM   1926 O  OE2 A GLU A 1 238 ? 6.825   -9.198  3.600   1.000 53.228  ? 239 GLU AAA OE2 1 ? 
ATOM   1927 N  N   . LEU A 1 239 ? 1.296   -12.127 1.972   1.000 11.474  ? 240 LEU AAA N   1 ? 
ATOM   1928 C  CA  . LEU A 1 239 ? -0.112  -12.084 2.332   1.000 10.985  ? 240 LEU AAA CA  1 ? 
ATOM   1929 C  C   . LEU A 1 239 ? -0.320  -11.301 3.645   1.000 9.604   ? 240 LEU AAA C   1 ? 
ATOM   1930 O  O   . LEU A 1 239 ? 0.448   -11.466 4.583   1.000 11.663  ? 240 LEU AAA O   1 ? 
ATOM   1931 C  CB  . LEU A 1 239 ? -0.669  -13.500 2.502   1.000 11.602  ? 240 LEU AAA CB  1 ? 
ATOM   1932 C  CG  . LEU A 1 239 ? -0.670  -14.380 1.275   1.000 13.165  ? 240 LEU AAA CG  1 ? 
ATOM   1933 C  CD1 . LEU A 1 239 ? -1.110  -15.762 1.649   1.000 19.236  ? 240 LEU AAA CD1 1 ? 
ATOM   1934 C  CD2 . LEU A 1 239 ? -1.546  -13.794 0.193   1.000 15.244  ? 240 LEU AAA CD2 1 ? 
ATOM   1935 N  N   . MET A 1 240 ? -1.357  -10.490 3.653   1.000 9.813   ? 241 MET AAA N   1 ? 
ATOM   1936 C  CA  . MET A 1 240 ? -1.718  -9.671  4.825   1.000 9.636   ? 241 MET AAA CA  1 ? 
ATOM   1937 C  C   . MET A 1 240 ? -2.507  -10.603 5.783   1.000 8.798   ? 241 MET AAA C   1 ? 
ATOM   1938 O  O   . MET A 1 240 ? -3.722  -10.775 5.668   1.000 10.759  ? 241 MET AAA O   1 ? 
ATOM   1939 C  CB  . MET A 1 240 ? -2.550  -8.470  4.452   1.000 9.945   ? 241 MET AAA CB  1 ? 
ATOM   1940 C  CG  . MET A 1 240 ? -2.893  -7.543  5.605   1.000 10.504  ? 241 MET AAA CG  1 ? 
ATOM   1941 S  SD  . MET A 1 240 ? -3.853  -6.125  5.100   1.000 11.471  ? 241 MET AAA SD  1 ? 
ATOM   1942 C  CE  . MET A 1 240 ? -2.569  -5.114  4.375   1.000 11.605  ? 241 MET AAA CE  1 ? 
ATOM   1943 N  N   . VAL A 1 241 ? -1.753  -11.227 6.675   1.000 9.730   ? 242 VAL AAA N   1 ? 
ATOM   1944 C  CA  . VAL A 1 241 ? -2.262  -12.119 7.735   1.000 9.252   ? 242 VAL AAA CA  1 ? 
ATOM   1945 C  C   . VAL A 1 241 ? -1.485  -11.869 9.011   1.000 9.085   ? 242 VAL AAA C   1 ? 
ATOM   1946 O  O   . VAL A 1 241 ? -0.340  -11.430 8.958   1.000 9.657   ? 242 VAL AAA O   1 ? 
ATOM   1947 C  CB  . VAL A 1 241 ? -2.199  -13.600 7.373   1.000 10.219  ? 242 VAL AAA CB  1 ? 
ATOM   1948 C  CG1 . VAL A 1 241 ? -3.118  -13.964 6.201   1.000 11.738  ? 242 VAL AAA CG1 1 ? 
ATOM   1949 C  CG2 . VAL A 1 241 ? -0.782  -14.074 7.128   1.000 11.894  ? 242 VAL AAA CG2 1 ? 
ATOM   1950 N  N   . ASP A 1 242 ? -2.095  -12.149 10.148  1.000 8.698   ? 243 ASP AAA N   1 ? 
ATOM   1951 C  CA  . ASP A 1 242 ? -1.468  -12.046 11.463  1.000 8.124   ? 243 ASP AAA CA  1 ? 
ATOM   1952 C  C   . ASP A 1 242 ? -0.967  -10.640 11.724  1.000 7.926   ? 243 ASP AAA C   1 ? 
ATOM   1953 O  O   . ASP A 1 242 ? 0.116   -10.368 12.209  1.000 9.771   ? 243 ASP AAA O   1 ? 
ATOM   1954 C  CB  . ASP A 1 242 ? -0.390  -13.094 11.663  1.000 9.051   ? 243 ASP AAA CB  1 ? 
ATOM   1955 C  CG  . ASP A 1 242 ? -0.981  -14.489 11.722  1.000 9.689   ? 243 ASP AAA CG  1 ? 
ATOM   1956 O  OD1 . ASP A 1 242 ? -2.004  -14.656 12.412  1.000 10.112  ? 243 ASP AAA OD1 1 ? 
ATOM   1957 O  OD2 . ASP A 1 242 ? -0.411  -15.409 11.074  1.000 11.704  ? 243 ASP AAA OD2 1 ? 
ATOM   1958 N  N   . ASN A 1 243 ? -1.827  -9.679  11.414  1.000 7.711   ? 244 ASN AAA N   1 ? 
ATOM   1959 C  CA  . ASN A 1 243 ? -1.571  -8.246  11.642  1.000 7.458   ? 244 ASN AAA CA  1 ? 
ATOM   1960 C  C   . ASN A 1 243 ? -2.089  -7.806  13.004  1.000 7.225   ? 244 ASN AAA C   1 ? 
ATOM   1961 O  O   . ASN A 1 243 ? -2.784  -6.762  13.094  1.000 9.675   ? 244 ASN AAA O   1 ? 
ATOM   1962 C  CB  . ASN A 1 243 ? -2.095  -7.375  10.493  1.000 7.985   ? 244 ASN AAA CB  1 ? 
ATOM   1963 C  CG  . ASN A 1 243 ? -3.584  -7.540  10.284  1.000 8.280   ? 244 ASN AAA CG  1 ? 
ATOM   1964 O  OD1 . ASN A 1 243 ? -4.235  -8.412  10.852  1.000 9.344   ? 244 ASN AAA OD1 1 ? 
ATOM   1965 N  ND2 . ASN A 1 243 ? -4.141  -6.681  9.472   1.000 11.952  ? 244 ASN AAA ND2 1 ? 
ATOM   1966 N  N   . TRP A 1 244 ? -1.808  -8.547  14.040  1.000 7.226   ? 245 TRP AAA N   1 ? 
ATOM   1967 C  CA  . TRP A 1 244 ? -2.282  -8.323  15.408  1.000 7.932   ? 245 TRP AAA CA  1 ? 
ATOM   1968 C  C   . TRP A 1 244 ? -1.062  -8.237  16.346  1.000 7.779   ? 245 TRP AAA C   1 ? 
ATOM   1969 O  O   . TRP A 1 244 ? -0.055  -8.972  16.206  1.000 8.975   ? 245 TRP AAA O   1 ? 
ATOM   1970 C  CB  . TRP A 1 244 ? -3.222  -9.426  15.890  1.000 7.565   ? 245 TRP AAA CB  1 ? 
ATOM   1971 C  CG  . TRP A 1 244 ? -2.759  -10.833 15.715  1.000 8.516   ? 245 TRP AAA CG  1 ? 
ATOM   1972 C  CD1 . TRP A 1 244 ? -2.851  -11.572 14.578  1.000 9.257   ? 245 TRP AAA CD1 1 ? 
ATOM   1973 C  CD2 . TRP A 1 244 ? -2.100  -11.666 16.680  1.000 7.633   ? 245 TRP AAA CD2 1 ? 
ATOM   1974 N  NE1 . TRP A 1 244 ? -2.321  -12.835 14.772  1.000 8.900   ? 245 TRP AAA NE1 1 ? 
ATOM   1975 C  CE2 . TRP A 1 244 ? -1.876  -12.910 16.064  1.000 8.324   ? 245 TRP AAA CE2 1 ? 
ATOM   1976 C  CE3 . TRP A 1 244 ? -1.809  -11.538 18.044  1.000 9.224   ? 245 TRP AAA CE3 1 ? 
ATOM   1977 C  CZ2 . TRP A 1 244 ? -1.289  -13.961 16.753  1.000 9.578   ? 245 TRP AAA CZ2 1 ? 
ATOM   1978 C  CZ3 . TRP A 1 244 ? -1.200  -12.582 18.714  1.000 10.595  ? 245 TRP AAA CZ3 1 ? 
ATOM   1979 C  CH2 . TRP A 1 244 ? -0.969  -13.801 18.084  1.000 11.530  ? 245 TRP AAA CH2 1 ? 
ATOM   1980 N  N   . ARG A 1 245 ? -1.170  -7.404  17.334  1.000 8.128   ? 246 ARG AAA N   1 ? 
ATOM   1981 C  CA  . ARG A 1 245 ? -0.225  -7.258  18.467  1.000 8.314   ? 246 ARG AAA CA  1 ? 
ATOM   1982 C  C   . ARG A 1 245 ? -0.676  -8.159  19.599  1.000 8.296   ? 246 ARG AAA C   1 ? 
ATOM   1983 O  O   . ARG A 1 245 ? -1.890  -8.158  19.874  1.000 9.585   ? 246 ARG AAA O   1 ? 
ATOM   1984 C  CB  . ARG A 1 245 ? -0.168  -5.819  18.957  1.000 8.655   ? 246 ARG AAA CB  1 ? 
ATOM   1985 C  CG  . ARG A 1 245 ? 0.988   -5.552  19.919  1.000 10.275  ? 246 ARG AAA CG  1 ? 
ATOM   1986 C  CD  . ARG A 1 245 ? 0.870   -4.217  20.609  1.000 10.801  ? 246 ARG AAA CD  1 ? 
ATOM   1987 N  NE  . ARG A 1 245 ? 2.139   -3.895  21.276  1.000 11.226  ? 246 ARG AAA NE  1 ? 
ATOM   1988 C  CZ  . ARG A 1 245 ? 2.296   -2.895  22.100  1.000 10.234  ? 246 ARG AAA CZ  1 ? 
ATOM   1989 N  NH1 . ARG A 1 245 ? 1.327   -2.093  22.509  1.000 9.782   ? 246 ARG AAA NH1 1 ? 
ATOM   1990 N  NH2 . ARG A 1 245 ? 3.570   -2.644  22.528  1.000 10.929  ? 246 ARG AAA NH2 1 ? 
ATOM   1991 N  N   . PRO A 1 246 ? 0.189   -8.937  20.235  1.000 9.005   ? 247 PRO AAA N   1 ? 
ATOM   1992 C  CA  . PRO A 1 246 ? -0.246  -9.736  21.360  1.000 10.100  ? 247 PRO AAA CA  1 ? 
ATOM   1993 C  C   . PRO A 1 246 ? -0.572  -8.873  22.601  1.000 9.043   ? 247 PRO AAA C   1 ? 
ATOM   1994 O  O   . PRO A 1 246 ? -0.271  -7.695  22.676  1.000 9.788   ? 247 PRO AAA O   1 ? 
ATOM   1995 C  CB  . PRO A 1 246 ? 0.909   -10.690 21.576  1.000 13.164  ? 247 PRO AAA CB  1 ? 
ATOM   1996 C  CG  . PRO A 1 246 ? 2.083   -9.960  21.081  1.000 15.401  ? 247 PRO AAA CG  1 ? 
ATOM   1997 C  CD  . PRO A 1 246 ? 1.592   -9.132  19.903  1.000 11.211  ? 247 PRO AAA CD  1 ? 
ATOM   1998 N  N   . ALA A 1 247 ? -1.225  -9.501  23.567  1.000 9.580   ? 248 ALA AAA N   1 ? 
ATOM   1999 C  CA  . ALA A 1 247 ? -1.596  -8.881  24.831  1.000 9.825   ? 248 ALA AAA CA  1 ? 
ATOM   2000 C  C   . ALA A 1 247 ? -0.358  -8.363  25.553  1.000 9.371   ? 248 ALA AAA C   1 ? 
ATOM   2001 O  O   . ALA A 1 247 ? 0.679   -9.046  25.600  1.000 11.558  ? 248 ALA AAA O   1 ? 
ATOM   2002 C  CB  . ALA A 1 247 ? -2.397  -9.844  25.678  1.000 11.226  ? 248 ALA AAA CB  1 ? 
ATOM   2003 N  N   . GLN A 1 248 ? -0.509  -7.196  26.153  1.000 9.642   ? 249 GLN AAA N   1 ? 
ATOM   2004 C  CA  . GLN A 1 248 ? 0.516   -6.439  26.877  1.000 9.620   ? 249 GLN AAA CA  1 ? 
ATOM   2005 C  C   . GLN A 1 248 ? 0.218   -6.438  28.356  1.000 9.501   ? 249 GLN AAA C   1 ? 
ATOM   2006 O  O   . GLN A 1 248 ? -0.922  -6.662  28.787  1.000 10.528  ? 249 GLN AAA O   1 ? 
ATOM   2007 C  CB  . GLN A 1 248 ? 0.581   -5.023  26.320  1.000 9.701   ? 249 GLN AAA CB  1 ? 
ATOM   2008 C  CG  . GLN A 1 248 ? 0.890   -4.987  24.838  1.000 10.495  ? 249 GLN AAA CG  1 ? 
ATOM   2009 C  CD  . GLN A 1 248 ? 2.200   -5.652  24.454  1.000 10.737  ? 249 GLN AAA CD  1 ? 
ATOM   2010 O  OE1 . GLN A 1 248 ? 2.190   -6.518  23.539  1.000 13.744  ? 249 GLN AAA OE1 1 ? 
ATOM   2011 N  NE2 . GLN A 1 248 ? 3.264   -5.278  25.104  1.000 11.771  ? 249 GLN AAA NE2 1 ? 
ATOM   2012 N  N   . PRO A 1 249 ? 1.193   -6.116  29.205  1.000 11.224  ? 250 PRO AAA N   1 ? 
ATOM   2013 C  CA  . PRO A 1 249 ? 0.978   -6.154  30.626  1.000 12.598  ? 250 PRO AAA CA  1 ? 
ATOM   2014 C  C   . PRO A 1 249 ? -0.120  -5.181  31.054  1.000 10.542  ? 250 PRO AAA C   1 ? 
ATOM   2015 O  O   . PRO A 1 249 ? -0.065  -4.022  30.703  1.000 10.719  ? 250 PRO AAA O   1 ? 
ATOM   2016 C  CB  . PRO A 1 249 ? 2.358   -5.792  31.192  1.000 16.539  ? 250 PRO AAA CB  1 ? 
ATOM   2017 C  CG  . PRO A 1 249 ? 3.358   -6.243  30.153  1.000 17.386  ? 250 PRO AAA CG  1 ? 
ATOM   2018 C  CD  . PRO A 1 249 ? 2.626   -5.890  28.870  1.000 15.571  ? 250 PRO AAA CD  1 ? 
ATOM   2019 N  N   . LEU A 1 250 ? -0.966  -5.609  31.968  1.000 12.656  ? 251 LEU AAA N   1 ? 
ATOM   2020 C  CA  . LEU A 1 250 ? -2.042  -4.765  32.482  1.000 11.309  ? 251 LEU AAA CA  1 ? 
ATOM   2021 C  C   . LEU A 1 250 ? -1.519  -3.665  33.381  1.000 10.513  ? 251 LEU AAA C   1 ? 
ATOM   2022 O  O   . LEU A 1 250 ? -2.060  -2.561  33.427  1.000 11.061  ? 251 LEU AAA O   1 ? 
ATOM   2023 C  CB  . LEU A 1 250 ? -3.093  -5.630  33.185  1.000 15.211  ? 251 LEU AAA CB  1 ? 
ATOM   2024 C  CG  . LEU A 1 250 ? -4.370  -4.893  33.588  1.000 14.664  ? 251 LEU AAA CG  1 ? 
ATOM   2025 C  CD1 . LEU A 1 250 ? -5.064  -4.311  32.380  1.000 14.928  ? 251 LEU AAA CD1 1 ? 
ATOM   2026 C  CD2 . LEU A 1 250 ? -5.271  -5.867  34.324  1.000 18.219  ? 251 LEU AAA CD2 1 ? 
ATOM   2027 N  N   . LYS A 1 251 ? -0.458  -3.947  34.116  1.000 12.599  ? 252 LYS AAA N   1 ? 
ATOM   2028 C  CA  . LYS A 1 251 ? 0.131   -2.942  35.035  1.000 13.541  ? 252 LYS AAA CA  1 ? 
ATOM   2029 C  C   . LYS A 1 251 ? -0.928  -2.451  36.007  1.000 14.652  ? 252 LYS AAA C   1 ? 
ATOM   2030 O  O   . LYS A 1 251 ? -1.716  -3.275  36.481  1.000 20.020  ? 252 LYS AAA O   1 ? 
ATOM   2031 C  CB  . LYS A 1 251 ? 0.892   -1.924  34.212  1.000 16.472  ? 252 LYS AAA CB  1 ? 
ATOM   2032 C  CG  . LYS A 1 251 ? 2.080   -2.602  33.518  1.000 22.147  ? 252 LYS AAA CG  1 ? 
ATOM   2033 C  CD  . LYS A 1 251 ? 3.126   -1.725  33.012  1.000 25.804  ? 252 LYS AAA CD  1 ? 
ATOM   2034 C  CE  . LYS A 1 251 ? 4.180   -2.579  32.368  1.000 27.094  ? 252 LYS AAA CE  1 ? 
ATOM   2035 N  NZ  . LYS A 1 251 ? 5.210   -1.755  31.723  1.000 36.344  ? 252 LYS AAA NZ  1 ? 
ATOM   2036 N  N   . ASN A 1 252 ? -0.956  -1.171  36.281  1.000 15.337  ? 253 ASN AAA N   1 ? 
ATOM   2037 C  CA  . ASN A 1 252 ? -1.803  -0.534  37.299  1.000 19.233  ? 253 ASN AAA CA  1 ? 
ATOM   2038 C  C   . ASN A 1 252 ? -3.093  -0.102  36.638  1.000 18.711  ? 253 ASN AAA C   1 ? 
ATOM   2039 O  O   . ASN A 1 252 ? -3.362  1.148   36.671  1.000 23.932  ? 253 ASN AAA O   1 ? 
ATOM   2040 C  CB  . ASN A 1 252 ? -1.125  0.679   37.971  1.000 21.754  ? 253 ASN AAA CB  1 ? 
ATOM   2041 C  CG  . ASN A 1 252 ? -1.829  1.158   39.224  1.000 27.135  ? 253 ASN AAA CG  1 ? 
ATOM   2042 O  OD1 . ASN A 1 252 ? -2.151  0.351   40.086  1.000 35.683  ? 253 ASN AAA OD1 1 ? 
ATOM   2043 N  ND2 . ASN A 1 252 ? -1.992  2.472   39.379  1.000 27.809  ? 253 ASN AAA ND2 1 ? 
ATOM   2044 N  N   . ARG A 1 253 ? -3.828  -1.082  36.077  1.000 13.381  ? 254 ARG AAA N   1 ? 
ATOM   2045 C  CA  . ARG A 1 253 ? -5.127  -0.819  35.432  1.000 11.403  ? 254 ARG AAA CA  1 ? 
ATOM   2046 C  C   . ARG A 1 253 ? -6.164  -1.813  35.895  1.000 12.759  ? 254 ARG AAA C   1 ? 
ATOM   2047 O  O   . ARG A 1 253 ? -5.865  -2.950  36.219  1.000 16.580  ? 254 ARG AAA O   1 ? 
ATOM   2048 C  CB  . ARG A 1 253 ? -4.986  -0.810  33.912  1.000 10.552  ? 254 ARG AAA CB  1 ? 
ATOM   2049 C  CG  . ARG A 1 253 ? -4.104  0.330   33.407  1.000 10.543  ? 254 ARG AAA CG  1 ? 
ATOM   2050 C  CD  . ARG A 1 253 ? -3.974  0.261   31.889  1.000 10.667  ? 254 ARG AAA CD  1 ? 
ATOM   2051 N  NE  . ARG A 1 253 ? -3.157  -0.867  31.444  1.000 9.427   ? 254 ARG AAA NE  1 ? 
ATOM   2052 C  CZ  . ARG A 1 253 ? -2.924  -1.121  30.169  1.000 8.769   ? 254 ARG AAA CZ  1 ? 
ATOM   2053 N  NH1 . ARG A 1 253 ? -3.469  -0.454  29.173  1.000 8.686   ? 254 ARG AAA NH1 1 ? 
ATOM   2054 N  NH2 . ARG A 1 253 ? -2.078  -2.106  29.847  1.000 9.407   ? 254 ARG AAA NH2 1 ? 
ATOM   2055 N  N   . GLN A 1 254 ? -7.387  -1.320  35.879  1.000 13.132  ? 255 GLN AAA N   1 ? 
ATOM   2056 C  CA  . GLN A 1 254 ? -8.559  -2.110  36.199  1.000 16.451  ? 255 GLN AAA CA  1 ? 
ATOM   2057 C  C   . GLN A 1 254 ? -9.425  -2.117  34.950  1.000 13.443  ? 255 GLN AAA C   1 ? 
ATOM   2058 O  O   . GLN A 1 254 ? -9.673  -1.076  34.320  1.000 19.142  ? 255 GLN AAA O   1 ? 
ATOM   2059 C  CB  . GLN A 1 254 ? -9.251  -1.537  37.430  1.000 26.732  ? 255 GLN AAA CB  1 ? 
ATOM   2060 C  CG  . GLN A 1 254 ? -8.576  -2.046  38.703  1.000 31.925  ? 255 GLN AAA CG  1 ? 
ATOM   2061 C  CD  . GLN A 1 254 ? -9.386  -1.855  39.963  1.000 33.645  ? 255 GLN AAA CD  1 ? 
ATOM   2062 O  OE1 . GLN A 1 254 ? -10.076 -0.849  40.120  1.000 43.559  ? 255 GLN AAA OE1 1 ? 
ATOM   2063 N  NE2 . GLN A 1 254 ? -9.292  -2.808  40.880  1.000 42.651  ? 255 GLN AAA NE2 1 ? 
ATOM   2064 N  N   . ILE A 1 255 ? -9.868  -3.286  34.596  1.000 11.384  ? 256 ILE AAA N   1 ? 
ATOM   2065 C  CA  . ILE A 1 255 ? -10.872 -3.455  33.526  1.000 10.653  ? 256 ILE AAA CA  1 ? 
ATOM   2066 C  C   . ILE A 1 255 ? -12.252 -3.491  34.188  1.000 10.437  ? 256 ILE AAA C   1 ? 
ATOM   2067 O  O   . ILE A 1 255 ? -12.454 -4.219  35.156  1.000 12.747  ? 256 ILE AAA O   1 ? 
ATOM   2068 C  CB  . ILE A 1 255 ? -10.628 -4.721  32.726  1.000 11.125  ? 256 ILE AAA CB  1 ? 
ATOM   2069 C  CG1 . ILE A 1 255 ? -9.205  -4.708  32.132  1.000 12.478  ? 256 ILE AAA CG1 1 ? 
ATOM   2070 C  CG2 . ILE A 1 255 ? -11.677 -4.901  31.674  1.000 12.390  ? 256 ILE AAA CG2 1 ? 
ATOM   2071 C  CD1 . ILE A 1 255 ? -8.829  -5.878  31.311  1.000 13.993  ? 256 ILE AAA CD1 1 ? 
ATOM   2072 N  N   . LYS A 1 256 ? -13.129 -2.662  33.706  1.000 9.908   ? 257 LYS AAA N   1 ? 
ATOM   2073 C  CA  . LYS A 1 256 ? -14.505 -2.546  34.248  1.000 10.178  ? 257 LYS AAA CA  1 ? 
ATOM   2074 C  C   . LYS A 1 256 ? -15.486 -3.181  33.282  1.000 9.078   ? 257 LYS AAA C   1 ? 
ATOM   2075 O  O   . LYS A 1 256 ? -15.316 -3.049  32.080  1.000 11.222  ? 257 LYS AAA O   1 ? 
ATOM   2076 C  CB  . LYS A 1 256 ? -14.896 -1.089  34.499  1.000 12.454  ? 257 LYS AAA CB  1 ? 
ATOM   2077 C  CG  . LYS A 1 256 ? -13.974 -0.395  35.494  1.000 17.706  ? 257 LYS AAA CG  1 ? 
ATOM   2078 C  CD  . LYS A 1 256 ? -14.276 1.048   35.729  1.000 27.507  ? 257 LYS AAA CD  1 ? 
ATOM   2079 C  CE  . LYS A 1 256 ? -13.264 1.677   36.666  1.000 34.676  ? 257 LYS AAA CE  1 ? 
ATOM   2080 N  NZ  . LYS A 1 256 ? -13.150 3.145   36.492  1.000 42.768  ? 257 LYS AAA NZ  1 ? 
ATOM   2081 N  N   . ALA A 1 257 ? -16.507 -3.843  33.829  1.000 10.820  ? 258 ALA AAA N   1 ? 
ATOM   2082 C  CA  . ALA A 1 257 ? -17.616 -4.439  33.064  1.000 10.754  ? 258 ALA AAA CA  1 ? 
ATOM   2083 C  C   . ALA A 1 257 ? -18.868 -3.564  33.172  1.000 10.996  ? 258 ALA AAA C   1 ? 
ATOM   2084 O  O   . ALA A 1 257 ? -19.222 -3.086  34.275  1.000 12.012  ? 258 ALA AAA O   1 ? 
ATOM   2085 C  CB  . ALA A 1 257 ? -17.868 -5.823  33.523  1.000 12.400  ? 258 ALA AAA CB  1 ? 
ATOM   2086 N  N   . SER A 1 258 ? -19.593 -3.453  32.052  1.000 10.203  ? 259 SER AAA N   1 ? 
ATOM   2087 C  CA  . SER A 1 258 ? -20.860 -2.700  32.082  1.000 11.794  ? 259 SER AAA CA  1 ? 
ATOM   2088 C  C   . SER A 1 258 ? -22.031 -3.556  32.552  1.000 11.986  ? 259 SER AAA C   1 ? 
ATOM   2089 O  O   . SER A 1 258 ? -23.153 -3.030  32.611  1.000 16.335  ? 259 SER AAA O   1 ? 
ATOM   2090 C  CB  . SER A 1 258 ? -21.160 -2.230  30.694  1.000 11.466  ? 259 SER AAA CB  1 ? 
ATOM   2091 O  OG  . SER A 1 258 ? -21.527 -3.266  29.795  1.000 12.381  ? 259 SER AAA OG  1 ? 
ATOM   2092 N  N   . PHE A 1 259 ? -21.774 -4.848  32.778  1.000 12.472  ? 260 PHE AAA N   1 ? 
ATOM   2093 C  CA  . PHE A 1 259 ? -22.825 -5.861  32.973  1.000 16.028  ? 260 PHE AAA CA  1 ? 
ATOM   2094 C  C   . PHE A 1 259 ? -22.522 -6.725  34.183  1.000 22.901  ? 260 PHE AAA C   1 ? 
ATOM   2095 O  O   . PHE A 1 259 ? -21.324 -6.835  34.532  1.000 22.549  ? 260 PHE AAA O   1 ? 
ATOM   2096 C  CB  . PHE A 1 259 ? -22.946 -6.675  31.687  1.000 15.359  ? 260 PHE AAA CB  1 ? 
ATOM   2097 C  CG  . PHE A 1 259 ? -21.670 -7.385  31.341  1.000 14.853  ? 260 PHE AAA CG  1 ? 
ATOM   2098 C  CD1 . PHE A 1 259 ? -20.701 -6.763  30.571  1.000 12.376  ? 260 PHE AAA CD1 1 ? 
ATOM   2099 C  CD2 . PHE A 1 259 ? -21.429 -8.639  31.863  1.000 19.384  ? 260 PHE AAA CD2 1 ? 
ATOM   2100 C  CE1 . PHE A 1 259 ? -19.534 -7.432  30.317  1.000 13.791  ? 260 PHE AAA CE1 1 ? 
ATOM   2101 C  CE2 . PHE A 1 259 ? -20.264 -9.311  31.568  1.000 20.487  ? 260 PHE AAA CE2 1 ? 
ATOM   2102 C  CZ  . PHE A 1 259 ? -19.299 -8.691  30.825  1.000 17.674  ? 260 PHE AAA CZ  1 ? 
ATOM   2103 N  N   . LYS A 1 260 ? -23.594 -7.246  34.810  1.000 31.773  ? 261 LYS AAA N   1 ? 
ATOM   2104 C  CA  . LYS A 1 260 ? -23.518 -8.009  36.094  1.000 55.289  ? 261 LYS AAA CA  1 ? 
ATOM   2105 C  C   . LYS A 1 260 ? -23.144 -9.451  35.759  1.000 54.804  ? 261 LYS AAA C   1 ? 
ATOM   2106 O  O   . LYS A 1 260 ? -23.566 -9.964  34.728  1.000 54.299  ? 261 LYS AAA O   1 ? 
ATOM   2107 C  CB  . LYS A 1 260 ? -24.826 -7.922  36.893  1.000 57.041  ? 261 LYS AAA CB  1 ? 
ATOM   2108 C  CG  . LYS A 1 260 ? -25.346 -6.505  37.123  1.000 54.132  ? 261 LYS AAA CG  1 ? 
ATOM   2109 O  OXT . LYS A 1 260 ? -22.415 -10.108 36.497  1.000 85.328  ? 261 LYS AAA OXT 1 ? 
HETATM 2110 C  C1  . GOL B 2 .   ? -4.329  -0.553  11.874  1.000 14.109  ? 301 GOL AAA C1  1 ? 
HETATM 2111 O  O1  . GOL B 2 .   ? -3.026  -0.707  11.303  1.000 14.083  ? 301 GOL AAA O1  1 ? 
HETATM 2112 C  C2  . GOL B 2 .   ? -5.078  0.587   11.216  1.000 13.030  ? 301 GOL AAA C2  1 ? 
HETATM 2113 O  O2  . GOL B 2 .   ? -5.216  0.348   9.820   1.000 12.970  ? 301 GOL AAA O2  1 ? 
HETATM 2114 C  C3  . GOL B 2 .   ? -4.427  1.941   11.405  1.000 15.214  ? 301 GOL AAA C3  1 ? 
HETATM 2115 O  O3  . GOL B 2 .   ? -5.316  2.957   10.916  1.000 16.594  ? 301 GOL AAA O3  1 ? 
HETATM 2116 C  C1  . EDO C 3 .   ? 1.497   -11.709 15.510  1.000 23.540  ? 302 EDO AAA C1  1 ? 
HETATM 2117 O  O1  . EDO C 3 .   ? 1.599   -11.069 16.765  1.000 21.423  ? 302 EDO AAA O1  1 ? 
HETATM 2118 C  C2  . EDO C 3 .   ? 2.251   -10.935 14.583  1.000 23.127  ? 302 EDO AAA C2  1 ? 
HETATM 2119 O  O2  . EDO C 3 .   ? 2.351   -11.542 13.293  1.000 18.533  ? 302 EDO AAA O2  1 ? 
HETATM 2120 ZN ZN  . ZN  D 4 .   ? -6.770  -1.631  15.342  1.000 8.658   ? 303 ZN  AAA ZN  1 ? 
HETATM 2121 O  O1  . XNF E 5 .   ? 1.192   10.815  11.496  1.000 100.367 ? 304 XNF AAA O1  1 ? 
HETATM 2122 P  P2  . XNF E 5 .   ? 1.134   11.474  12.831  1.000 98.147  ? 304 XNF AAA P2  1 ? 
HETATM 2123 O  O3  . XNF E 5 .   ? 2.448   12.245  13.229  1.000 103.814 ? 304 XNF AAA O3  1 ? 
HETATM 2124 C  C4  . XNF E 5 .   ? 3.752   11.768  12.792  1.000 92.899  ? 304 XNF AAA C4  1 ? 
HETATM 2125 O  O5  . XNF E 5 .   ? -0.044  12.476  13.015  1.000 108.726 ? 304 XNF AAA O5  1 ? 
HETATM 2126 C  C6  . XNF E 5 .   ? -1.405  11.994  13.050  1.000 77.307  ? 304 XNF AAA C6  1 ? 
HETATM 2127 C  C7  . XNF E 5 .   ? 0.786   10.400  14.260  1.000 51.572  ? 304 XNF AAA C7  1 ? 
HETATM 2128 C  C8  . XNF E 5 .   ? -0.072  9.180   14.018  1.000 28.589  ? 304 XNF AAA C8  1 ? 
HETATM 2129 C  C9  . XNF E 5 .   ? 0.319   8.193   13.140  1.000 21.655  ? 304 XNF AAA C9  1 ? 
HETATM 2130 C  C10 . XNF E 5 .   ? -0.499  7.100   12.894  1.000 17.050  ? 304 XNF AAA C10 1 ? 
HETATM 2131 C  C11 . XNF E 5 .   ? -1.723  6.964   13.504  1.000 17.700  ? 304 XNF AAA C11 1 ? 
HETATM 2132 C  C12 . XNF E 5 .   ? -2.661  5.858   13.053  1.000 20.374  ? 304 XNF AAA C12 1 ? 
HETATM 2133 P  P13 . XNF E 5 .   ? -3.342  6.219   11.393  1.000 24.785  ? 304 XNF AAA P13 1 ? 
HETATM 2134 O  O14 . XNF E 5 .   ? -2.080  6.037   10.465  1.000 33.391  ? 304 XNF AAA O14 1 ? 
HETATM 2135 C  C15 . XNF E 5 .   ? -1.423  7.153   9.729   1.000 47.030  ? 304 XNF AAA C15 1 ? 
HETATM 2136 O  O16 . XNF E 5 .   ? -3.852  7.730   11.379  1.000 29.311  ? 304 XNF AAA O16 1 ? 
HETATM 2137 C  C17 . XNF E 5 .   ? -4.735  8.366   10.366  1.000 50.007  ? 304 XNF AAA C17 1 ? 
HETATM 2138 O  O18 . XNF E 5 .   ? -4.471  5.375   11.089  1.000 39.345  ? 304 XNF AAA O18 1 ? 
HETATM 2139 N  N19 . XNF E 5 .   ? -3.785  5.665   13.924  1.000 21.763  ? 304 XNF AAA N19 1 ? 
HETATM 2140 C  C20 . XNF E 5 .   ? -4.152  4.399   14.435  1.000 15.999  ? 304 XNF AAA C20 1 ? 
HETATM 2141 C  C21 . XNF E 5 .   ? -3.329  3.373   14.851  1.000 13.016  ? 304 XNF AAA C21 1 ? 
HETATM 2142 C  C22 . XNF E 5 .   ? -3.851  2.296   15.555  1.000 10.464  ? 304 XNF AAA C22 1 ? 
HETATM 2143 C  C23 . XNF E 5 .   ? -5.199  2.264   15.828  1.000 9.260   ? 304 XNF AAA C23 1 ? 
HETATM 2144 S  S24 . XNF E 5 .   ? -5.887  0.919   16.734  1.000 8.921   ? 304 XNF AAA S24 1 ? 
HETATM 2145 O  O25 . XNF E 5 .   ? -7.354  1.048   16.593  1.000 9.078   ? 304 XNF AAA O25 1 ? 
HETATM 2146 N  N26 . XNF E 5 .   ? -5.424  -0.516  16.081  1.000 12.783  ? 304 XNF AAA N26 1 ? 
HETATM 2147 O  O27 . XNF E 5 .   ? -5.395  1.033   18.073  1.000 8.801   ? 304 XNF AAA O27 1 ? 
HETATM 2148 C  C28 . XNF E 5 .   ? -6.022  3.286   15.399  1.000 11.967  ? 304 XNF AAA C28 1 ? 
HETATM 2149 C  C29 . XNF E 5 .   ? -5.483  4.338   14.705  1.000 16.254  ? 304 XNF AAA C29 1 ? 
HETATM 2150 C  C30 . XNF E 5 .   ? -2.100  7.947   14.392  1.000 18.358  ? 304 XNF AAA C30 1 ? 
HETATM 2151 C  C31 . XNF E 5 .   ? -1.290  9.045   14.645  1.000 21.934  ? 304 XNF AAA C31 1 ? 
HETATM 2152 N  N32 . XNF E 5 .   ? 2.013   10.067  14.943  1.000 47.037  ? 304 XNF AAA N32 1 ? 
HETATM 2153 C  C33 . XNF E 5 .   ? 2.321   10.706  16.131  1.000 63.417  ? 304 XNF AAA C33 1 ? 
HETATM 2154 C  C34 . XNF E 5 .   ? 1.609   11.824  16.563  1.000 90.097  ? 304 XNF AAA C34 1 ? 
HETATM 2155 C  C35 . XNF E 5 .   ? 2.001   12.499  17.702  1.000 102.390 ? 304 XNF AAA C35 1 ? 
HETATM 2156 C  C36 . XNF E 5 .   ? 3.098   12.041  18.412  1.000 164.234 ? 304 XNF AAA C36 1 ? 
HETATM 2157 S  S37 . XNF E 5 .   ? 3.466   12.747  19.976  1.000 168.299 ? 304 XNF AAA S37 1 ? 
HETATM 2158 O  O38 . XNF E 5 .   ? 4.180   11.749  20.732  1.000 191.373 ? 304 XNF AAA O38 1 ? 
HETATM 2159 N  N39 . XNF E 5 .   ? 4.446   13.992  19.725  1.000 86.540  ? 304 XNF AAA N39 1 ? 
HETATM 2160 O  O40 . XNF E 5 .   ? 2.232   13.259  20.495  1.000 80.217  ? 304 XNF AAA O40 1 ? 
HETATM 2161 C  C41 . XNF E 5 .   ? 3.813   10.934  17.994  1.000 33.203  ? 304 XNF AAA C41 1 ? 
HETATM 2162 C  C42 . XNF E 5 .   ? 3.418   10.271  16.852  1.000 38.105  ? 304 XNF AAA C42 1 ? 
HETATM 2163 O  O   . HOH F 6 .   ? -17.785 19.283  6.144   1.000 22.407  ? 401 HOH AAA O   1 ? 
HETATM 2164 O  O   . HOH F 6 .   ? -16.712 5.567   -7.780  1.000 31.187  ? 402 HOH AAA O   1 ? 
HETATM 2165 O  O   . HOH F 6 .   ? -9.464  1.297   39.338  1.000 44.408  ? 403 HOH AAA O   1 ? 
HETATM 2166 O  O   . HOH F 6 .   ? -16.589 14.971  33.406  1.000 35.146  ? 404 HOH AAA O   1 ? 
HETATM 2167 O  O   . HOH F 6 .   ? 1.761   12.444  22.829  1.000 30.635  ? 405 HOH AAA O   1 ? 
HETATM 2168 O  O   . HOH F 6 .   ? -15.234 -10.451 37.764  1.000 33.911  ? 406 HOH AAA O   1 ? 
HETATM 2169 O  O   . HOH F 6 .   ? -14.171 14.402  27.190  1.000 30.176  ? 407 HOH AAA O   1 ? 
HETATM 2170 O  O   . HOH F 6 .   ? 7.882   -5.224  -0.701  1.000 37.589  ? 408 HOH AAA O   1 ? 
HETATM 2171 O  O   . HOH F 6 .   ? -10.288 15.800  29.737  1.000 40.328  ? 409 HOH AAA O   1 ? 
HETATM 2172 O  O   . HOH F 6 .   ? -4.444  -4.861  11.253  1.000 37.487  ? 410 HOH AAA O   1 ? 
HETATM 2173 O  O   . HOH F 6 .   ? -17.119 -22.505 0.121   1.000 59.404  ? 411 HOH AAA O   1 ? 
HETATM 2174 O  O   . HOH F 6 .   ? 4.762   -10.529 14.058  1.000 32.745  ? 412 HOH AAA O   1 ? 
HETATM 2175 O  O   . HOH F 6 .   ? -25.814 -5.302  13.494  1.000 33.906  ? 413 HOH AAA O   1 ? 
HETATM 2176 O  O   . HOH F 6 .   ? -7.178  -8.396  -6.816  1.000 32.621  ? 414 HOH AAA O   1 ? 
HETATM 2177 O  O   . HOH F 6 .   ? -18.684 -20.843 15.063  1.000 34.398  ? 415 HOH AAA O   1 ? 
HETATM 2178 O  O   . HOH F 6 .   ? -8.887  -3.870  7.975   1.000 8.976   ? 416 HOH AAA O   1 ? 
HETATM 2179 O  O   . HOH F 6 .   ? -1.317  -4.217  15.932  1.000 10.333  ? 417 HOH AAA O   1 ? 
HETATM 2180 O  O   . HOH F 6 .   ? 3.428   5.035   29.956  1.000 16.949  ? 418 HOH AAA O   1 ? 
HETATM 2181 O  O   . HOH F 6 .   ? -7.105  5.863   6.646   1.000 19.686  ? 419 HOH AAA O   1 ? 
HETATM 2182 O  O   . HOH F 6 .   ? -4.852  -11.964 32.265  1.000 25.617  ? 420 HOH AAA O   1 ? 
HETATM 2183 O  O   . HOH F 6 .   ? -20.088 -16.731 3.110   1.000 22.147  ? 421 HOH AAA O   1 ? 
HETATM 2184 O  O   . HOH F 6 .   ? -6.807  -20.343 19.741  1.000 16.712  ? 422 HOH AAA O   1 ? 
HETATM 2185 O  O   . HOH F 6 .   ? -22.953 -6.063  2.960   1.000 25.307  ? 423 HOH AAA O   1 ? 
HETATM 2186 O  O   . HOH F 6 .   ? -7.297  -10.073 -4.634  1.000 27.062  ? 424 HOH AAA O   1 ? 
HETATM 2187 O  O   . HOH F 6 .   ? -20.731 8.637   30.026  1.000 25.329  ? 425 HOH AAA O   1 ? 
HETATM 2188 O  O   . HOH F 6 .   ? -27.526 -7.129  26.246  1.000 34.689  ? 426 HOH AAA O   1 ? 
HETATM 2189 O  O   . HOH F 6 .   ? 2.637   -12.561 18.683  1.000 24.998  ? 427 HOH AAA O   1 ? 
HETATM 2190 O  O   . HOH F 6 .   ? -0.082  1.107   -10.853 1.000 42.325  ? 428 HOH AAA O   1 ? 
HETATM 2191 O  O   . HOH F 6 .   ? -20.361 10.832  26.477  1.000 18.829  ? 429 HOH AAA O   1 ? 
HETATM 2192 O  O   . HOH F 6 .   ? -12.626 12.491  29.479  1.000 35.654  ? 430 HOH AAA O   1 ? 
HETATM 2193 O  O   . HOH F 6 .   ? -1.458  9.128   28.263  1.000 26.805  ? 431 HOH AAA O   1 ? 
HETATM 2194 O  O   . HOH F 6 .   ? -0.423  1.359   34.583  1.000 27.112  ? 432 HOH AAA O   1 ? 
HETATM 2195 O  O   . HOH F 6 .   ? -25.684 9.465   13.350  1.000 31.499  ? 433 HOH AAA O   1 ? 
HETATM 2196 O  O   . HOH F 6 .   ? -14.456 -16.699 29.106  1.000 21.350  ? 434 HOH AAA O   1 ? 
HETATM 2197 O  O   . HOH F 6 .   ? -24.228 -3.134  29.407  1.000 29.443  ? 435 HOH AAA O   1 ? 
HETATM 2198 O  O   . HOH F 6 .   ? -9.306  6.013   29.140  1.000 20.569  ? 436 HOH AAA O   1 ? 
HETATM 2199 O  O   . HOH F 6 .   ? 9.284   7.337   18.505  1.000 34.021  ? 437 HOH AAA O   1 ? 
HETATM 2200 O  O   . HOH F 6 .   ? -7.131  -14.810 31.788  1.000 23.171  ? 438 HOH AAA O   1 ? 
HETATM 2201 O  O   . HOH F 6 .   ? -10.852 8.716   25.605  1.000 11.260  ? 439 HOH AAA O   1 ? 
HETATM 2202 O  O   . HOH F 6 .   ? -17.454 -16.440 22.192  1.000 30.722  ? 440 HOH AAA O   1 ? 
HETATM 2203 O  O   . HOH F 6 .   ? -0.470  14.164  16.265  1.000 34.278  ? 441 HOH AAA O   1 ? 
HETATM 2204 O  O   . HOH F 6 .   ? 3.480   -3.133  4.701   1.000 31.319  ? 442 HOH AAA O   1 ? 
HETATM 2205 O  O   . HOH F 6 .   ? -15.061 -15.643 25.124  1.000 30.211  ? 443 HOH AAA O   1 ? 
HETATM 2206 O  O   . HOH F 6 .   ? 4.103   -3.355  26.777  1.000 19.762  ? 444 HOH AAA O   1 ? 
HETATM 2207 O  O   . HOH F 6 .   ? -8.870  -15.527 36.948  1.000 23.133  ? 445 HOH AAA O   1 ? 
HETATM 2208 O  O   . HOH F 6 .   ? -0.015  -0.965  -4.599  1.000 15.188  ? 446 HOH AAA O   1 ? 
HETATM 2209 O  O   . HOH F 6 .   ? -8.103  -15.560 11.593  1.000 11.329  ? 447 HOH AAA O   1 ? 
HETATM 2210 O  O   . HOH F 6 .   ? -28.141 6.173   21.665  1.000 26.446  ? 448 HOH AAA O   1 ? 
HETATM 2211 O  O   . HOH F 6 .   ? -15.543 0.664   -4.902  1.000 27.794  ? 449 HOH AAA O   1 ? 
HETATM 2212 O  O   . HOH F 6 .   ? -22.763 -14.829 16.582  1.000 41.250  ? 450 HOH AAA O   1 ? 
HETATM 2213 O  O   . HOH F 6 .   ? -27.017 -2.827  14.376  1.000 31.598  ? 451 HOH AAA O   1 ? 
HETATM 2214 O  O   . HOH F 6 .   ? -2.691  -8.629  29.346  1.000 12.041  ? 452 HOH AAA O   1 ? 
HETATM 2215 O  O   . HOH F 6 .   ? -3.676  -12.911 -2.709  1.000 20.905  ? 453 HOH AAA O   1 ? 
HETATM 2216 O  O   . HOH F 6 .   ? -18.177 10.546  11.413  1.000 20.548  ? 454 HOH AAA O   1 ? 
HETATM 2217 O  O   . HOH F 6 .   ? -10.533 -18.333 17.450  1.000 15.408  ? 455 HOH AAA O   1 ? 
HETATM 2218 O  O   . HOH F 6 .   ? -13.093 13.461  32.113  1.000 30.016  ? 456 HOH AAA O   1 ? 
HETATM 2219 O  O   . HOH F 6 .   ? -24.208 8.739   20.248  1.000 23.415  ? 457 HOH AAA O   1 ? 
HETATM 2220 O  O   . HOH F 6 .   ? 4.460   -2.533  29.239  1.000 24.688  ? 458 HOH AAA O   1 ? 
HETATM 2221 O  O   . HOH F 6 .   ? -26.525 3.602   15.576  1.000 27.371  ? 459 HOH AAA O   1 ? 
HETATM 2222 O  O   . HOH F 6 .   ? -18.876 17.722  18.880  1.000 27.522  ? 460 HOH AAA O   1 ? 
HETATM 2223 O  O   . HOH F 6 .   ? -17.140 -8.455  20.546  1.000 9.800   ? 461 HOH AAA O   1 ? 
HETATM 2224 O  O   . HOH F 6 .   ? -6.222  -4.574  -6.348  1.000 27.888  ? 462 HOH AAA O   1 ? 
HETATM 2225 O  O   . HOH F 6 .   ? -23.350 -11.410 17.106  1.000 30.946  ? 463 HOH AAA O   1 ? 
HETATM 2226 O  O   . HOH F 6 .   ? -23.377 -13.416 11.286  1.000 26.398  ? 464 HOH AAA O   1 ? 
HETATM 2227 O  O   . HOH F 6 .   ? 1.912   8.164   27.671  1.000 42.777  ? 465 HOH AAA O   1 ? 
HETATM 2228 O  O   . HOH F 6 .   ? -2.495  -3.364  11.622  1.000 13.367  ? 466 HOH AAA O   1 ? 
HETATM 2229 O  O   . HOH F 6 .   ? -4.619  -13.493 18.202  1.000 10.425  ? 467 HOH AAA O   1 ? 
HETATM 2230 O  O   . HOH F 6 .   ? -11.883 9.368   3.247   1.000 20.087  ? 468 HOH AAA O   1 ? 
HETATM 2231 O  O   . HOH F 6 .   ? -3.634  -11.159 21.047  1.000 10.976  ? 469 HOH AAA O   1 ? 
HETATM 2232 O  O   . HOH F 6 .   ? 4.895   -7.354  22.525  1.000 26.538  ? 470 HOH AAA O   1 ? 
HETATM 2233 O  O   . HOH F 6 .   ? -9.446  -10.177 -1.004  1.000 21.187  ? 471 HOH AAA O   1 ? 
HETATM 2234 O  O   . HOH F 6 .   ? -18.006 -20.634 8.135   1.000 20.092  ? 472 HOH AAA O   1 ? 
HETATM 2235 O  O   . HOH F 6 .   ? -21.740 -7.181  23.718  1.000 14.081  ? 473 HOH AAA O   1 ? 
HETATM 2236 O  O   . HOH F 6 .   ? -21.415 7.829   2.009   1.000 17.499  ? 474 HOH AAA O   1 ? 
HETATM 2237 O  O   . HOH F 6 .   ? -13.378 20.316  14.984  1.000 20.378  ? 475 HOH AAA O   1 ? 
HETATM 2238 O  O   . HOH F 6 .   ? -8.846  0.461   -6.429  1.000 27.431  ? 476 HOH AAA O   1 ? 
HETATM 2239 O  O   . HOH F 6 .   ? 14.280  5.424   19.062  1.000 28.464  ? 477 HOH AAA O   1 ? 
HETATM 2240 O  O   . HOH F 6 .   ? -19.921 -4.363  41.383  1.000 31.270  ? 478 HOH AAA O   1 ? 
HETATM 2241 O  O   . HOH F 6 .   ? 11.601  -0.341  16.257  1.000 24.222  ? 479 HOH AAA O   1 ? 
HETATM 2242 O  O   . HOH F 6 .   ? 7.443   -7.874  -0.791  1.000 24.940  ? 480 HOH AAA O   1 ? 
HETATM 2243 O  O   . HOH F 6 .   ? -23.315 -3.104  6.940   1.000 20.835  ? 481 HOH AAA O   1 ? 
HETATM 2244 O  O   . HOH F 6 .   ? -26.016 7.963   6.487   1.000 37.981  ? 482 HOH AAA O   1 ? 
HETATM 2245 O  O   . HOH F 6 .   ? -23.796 -18.056 6.506   1.000 47.479  ? 483 HOH AAA O   1 ? 
HETATM 2246 O  O   . HOH F 6 .   ? -18.688 -3.700  -2.442  1.000 35.041  ? 484 HOH AAA O   1 ? 
HETATM 2247 O  O   . HOH F 6 .   ? 6.766   -3.598  30.388  1.000 37.074  ? 485 HOH AAA O   1 ? 
HETATM 2248 O  O   . HOH F 6 .   ? 0.560   -9.881  -5.385  1.000 35.730  ? 486 HOH AAA O   1 ? 
HETATM 2249 O  O   . HOH F 6 .   ? -16.236 16.041  23.660  1.000 24.180  ? 487 HOH AAA O   1 ? 
HETATM 2250 O  O   . HOH F 6 .   ? 5.146   -10.834 18.973  1.000 31.621  ? 488 HOH AAA O   1 ? 
HETATM 2251 O  O   . HOH F 6 .   ? -25.012 -7.743  9.328   1.000 18.533  ? 489 HOH AAA O   1 ? 
HETATM 2252 O  O   . HOH F 6 .   ? -14.640 -18.727 18.895  1.000 18.741  ? 490 HOH AAA O   1 ? 
HETATM 2253 O  O   . HOH F 6 .   ? -3.818  -15.855 24.612  1.000 13.954  ? 491 HOH AAA O   1 ? 
HETATM 2254 O  O   . HOH F 6 .   ? 8.567   -3.913  21.295  1.000 13.288  ? 492 HOH AAA O   1 ? 
HETATM 2255 O  O   . HOH F 6 .   ? -22.099 5.711   4.846   1.000 15.270  ? 493 HOH AAA O   1 ? 
HETATM 2256 O  O   . HOH F 6 .   ? 13.356  0.253   24.564  1.000 24.600  ? 494 HOH AAA O   1 ? 
HETATM 2257 O  O   . HOH F 6 .   ? -2.517  -4.562  -6.863  1.000 29.880  ? 495 HOH AAA O   1 ? 
HETATM 2258 O  O   . HOH F 6 .   ? 5.570   0.579   8.506   1.000 27.012  ? 496 HOH AAA O   1 ? 
HETATM 2259 O  O   . HOH F 6 .   ? -19.396 17.478  5.933   1.000 31.711  ? 497 HOH AAA O   1 ? 
HETATM 2260 O  O   . HOH F 6 .   ? -15.765 8.914   -2.094  1.000 33.581  ? 498 HOH AAA O   1 ? 
HETATM 2261 O  O   . HOH F 6 .   ? 1.109   -11.775 25.329  1.000 29.041  ? 499 HOH AAA O   1 ? 
HETATM 2262 O  O   . HOH F 6 .   ? 5.318   7.073   20.388  1.000 16.124  ? 500 HOH AAA O   1 ? 
HETATM 2263 O  O   . HOH F 6 .   ? -13.970 10.471  28.026  1.000 16.696  ? 501 HOH AAA O   1 ? 
HETATM 2264 O  O   . HOH F 6 .   ? -25.138 4.644   8.540   1.000 31.628  ? 502 HOH AAA O   1 ? 
HETATM 2265 O  O   . HOH F 6 .   ? -0.507  3.750   10.625  1.000 29.447  ? 503 HOH AAA O   1 ? 
HETATM 2266 O  O   . HOH F 6 .   ? -4.384  -8.312  31.335  1.000 20.357  ? 504 HOH AAA O   1 ? 
HETATM 2267 O  O   . HOH F 6 .   ? -7.577  -8.696  32.761  1.000 16.023  ? 505 HOH AAA O   1 ? 
HETATM 2268 O  O   . HOH F 6 .   ? 13.912  2.094   22.814  1.000 23.261  ? 506 HOH AAA O   1 ? 
HETATM 2269 O  O   . HOH F 6 .   ? -13.116 -8.876  -3.162  1.000 29.357  ? 507 HOH AAA O   1 ? 
HETATM 2270 O  O   . HOH F 6 .   ? -23.301 0.520   34.750  1.000 28.498  ? 508 HOH AAA O   1 ? 
HETATM 2271 O  O   . HOH F 6 .   ? -11.319 -11.128 -2.557  1.000 42.637  ? 509 HOH AAA O   1 ? 
HETATM 2272 O  O   . HOH F 6 .   ? -16.175 -12.283 24.559  1.000 18.020  ? 510 HOH AAA O   1 ? 
HETATM 2273 O  O   . HOH F 6 .   ? -12.238 10.621  5.670   1.000 26.939  ? 511 HOH AAA O   1 ? 
HETATM 2274 O  O   . HOH F 6 .   ? -3.485  -13.181 25.369  1.000 12.426  ? 512 HOH AAA O   1 ? 
HETATM 2275 O  O   . HOH F 6 .   ? -14.768 20.349  17.646  1.000 20.634  ? 513 HOH AAA O   1 ? 
HETATM 2276 O  O   . HOH F 6 .   ? -25.660 -10.566 17.871  1.000 29.281  ? 514 HOH AAA O   1 ? 
HETATM 2277 O  O   . HOH F 6 .   ? -7.308  -16.904 1.699   1.000 25.915  ? 515 HOH AAA O   1 ? 
HETATM 2278 O  O   . HOH F 6 .   ? -27.173 -10.918 22.643  1.000 35.606  ? 516 HOH AAA O   1 ? 
HETATM 2279 O  O   . HOH F 6 .   ? 4.854   -4.871  21.142  1.000 14.232  ? 517 HOH AAA O   1 ? 
HETATM 2280 O  O   . HOH F 6 .   ? -26.539 2.767   20.963  1.000 19.016  ? 518 HOH AAA O   1 ? 
HETATM 2281 O  O   . HOH F 6 .   ? -11.221 -19.698 7.480   1.000 34.153  ? 519 HOH AAA O   1 ? 
HETATM 2282 O  O   . HOH F 6 .   ? -6.890  6.787   11.448  1.000 34.051  ? 520 HOH AAA O   1 ? 
HETATM 2283 O  O   . HOH F 6 .   ? -13.675 -0.978  -6.007  1.000 26.035  ? 521 HOH AAA O   1 ? 
HETATM 2284 O  O   . HOH F 6 .   ? -0.559  10.738  23.699  1.000 19.387  ? 522 HOH AAA O   1 ? 
HETATM 2285 O  O   . HOH F 6 .   ? 11.179  1.259   26.010  1.000 24.917  ? 523 HOH AAA O   1 ? 
HETATM 2286 O  O   . HOH F 6 .   ? -19.498 10.058  8.948   1.000 15.649  ? 524 HOH AAA O   1 ? 
HETATM 2287 O  O   . HOH F 6 .   ? -13.094 -16.871 26.695  1.000 15.263  ? 525 HOH AAA O   1 ? 
HETATM 2288 O  O   . HOH F 6 .   ? -10.719 8.584   7.851   1.000 23.909  ? 526 HOH AAA O   1 ? 
HETATM 2289 O  O   . HOH F 6 .   ? -4.689  -16.002 0.974   1.000 26.200  ? 527 HOH AAA O   1 ? 
HETATM 2290 O  O   . HOH F 6 .   ? -1.491  4.683   -4.749  1.000 28.214  ? 528 HOH AAA O   1 ? 
HETATM 2291 O  O   . HOH F 6 .   ? 1.069   14.807  24.495  1.000 42.143  ? 529 HOH AAA O   1 ? 
HETATM 2292 O  O   . HOH F 6 .   ? -10.030 6.085   -3.934  1.000 37.334  ? 530 HOH AAA O   1 ? 
HETATM 2293 O  O   . HOH F 6 .   ? -16.549 -15.955 32.985  1.000 26.584  ? 531 HOH AAA O   1 ? 
HETATM 2294 O  O   . HOH F 6 .   ? -22.477 -18.517 13.670  1.000 32.854  ? 532 HOH AAA O   1 ? 
HETATM 2295 O  O   . HOH F 6 .   ? -18.794 12.403  12.888  1.000 29.602  ? 533 HOH AAA O   1 ? 
HETATM 2296 O  O   . HOH F 6 .   ? -1.168  1.399   11.780  1.000 18.277  ? 534 HOH AAA O   1 ? 
HETATM 2297 O  O   . HOH F 6 .   ? -18.341 -3.483  45.353  1.000 43.122  ? 535 HOH AAA O   1 ? 
HETATM 2298 O  O   . HOH F 6 .   ? -25.976 -8.969  11.481  1.000 22.459  ? 536 HOH AAA O   1 ? 
HETATM 2299 O  O   . HOH F 6 .   ? -3.903  20.823  15.574  1.000 32.881  ? 537 HOH AAA O   1 ? 
HETATM 2300 O  O   . HOH F 6 .   ? -12.908 3.602   -6.731  1.000 25.760  ? 538 HOH AAA O   1 ? 
HETATM 2301 O  O   . HOH F 6 .   ? -15.270 -21.943 13.183  1.000 25.923  ? 539 HOH AAA O   1 ? 
HETATM 2302 O  O   . HOH F 6 .   ? -23.536 -0.209  32.323  1.000 28.079  ? 540 HOH AAA O   1 ? 
HETATM 2303 O  O   . HOH F 6 .   ? 6.518   -5.856  6.848   1.000 30.375  ? 541 HOH AAA O   1 ? 
HETATM 2304 O  O   . HOH F 6 .   ? -13.073 7.902   28.856  1.000 22.096  ? 542 HOH AAA O   1 ? 
HETATM 2305 O  O   . HOH F 6 .   ? -25.984 -3.310  32.217  1.000 35.345  ? 543 HOH AAA O   1 ? 
HETATM 2306 O  O   . HOH F 6 .   ? 8.579   -4.640  23.831  1.000 33.201  ? 544 HOH AAA O   1 ? 
HETATM 2307 O  O   . HOH F 6 .   ? -8.109  -22.165 10.425  1.000 31.844  ? 545 HOH AAA O   1 ? 
HETATM 2308 O  O   . HOH F 6 .   ? 8.258   3.265   27.960  1.000 41.364  ? 546 HOH AAA O   1 ? 
HETATM 2309 O  O   . HOH F 6 .   ? -10.788 -12.943 40.497  1.000 45.476  ? 547 HOH AAA O   1 ? 
HETATM 2310 O  O   . HOH F 6 .   ? -12.147 2.773   31.021  1.000 15.530  ? 548 HOH AAA O   1 ? 
HETATM 2311 O  O   . HOH F 6 .   ? -2.890  18.087  14.840  1.000 33.946  ? 549 HOH AAA O   1 ? 
HETATM 2312 O  O   . HOH F 6 .   ? -18.743 -12.571 -3.523  1.000 27.527  ? 550 HOH AAA O   1 ? 
HETATM 2313 O  O   . HOH F 6 .   ? -32.177 -10.782 16.218  1.000 28.816  ? 551 HOH AAA O   1 ? 
HETATM 2314 O  O   . HOH F 6 .   ? -10.516 -19.611 20.163  1.000 22.830  ? 552 HOH AAA O   1 ? 
HETATM 2315 O  O   . HOH F 6 .   ? 2.502   -4.405  7.948   1.000 21.309  ? 553 HOH AAA O   1 ? 
HETATM 2316 O  O   . HOH F 6 .   ? -0.288  -14.233 22.425  1.000 20.369  ? 554 HOH AAA O   1 ? 
HETATM 2317 O  O   . HOH F 6 .   ? 1.180   8.721   24.555  1.000 18.218  ? 555 HOH AAA O   1 ? 
HETATM 2318 O  O   . HOH F 6 .   ? -27.052 -3.968  25.174  1.000 23.082  ? 556 HOH AAA O   1 ? 
HETATM 2319 O  O   . HOH F 6 .   ? -13.509 -18.647 14.850  1.000 20.728  ? 557 HOH AAA O   1 ? 
HETATM 2320 O  O   . HOH F 6 .   ? -12.682 -18.460 32.459  1.000 33.340  ? 558 HOH AAA O   1 ? 
HETATM 2321 O  O   . HOH F 6 .   ? 1.316   -6.164  34.675  1.000 26.330  ? 559 HOH AAA O   1 ? 
HETATM 2322 O  O   . HOH F 6 .   ? -11.289 1.185   33.511  1.000 21.759  ? 560 HOH AAA O   1 ? 
HETATM 2323 O  O   . HOH F 6 .   ? -24.114 -0.823  4.036   1.000 19.022  ? 561 HOH AAA O   1 ? 
HETATM 2324 O  O   . HOH F 6 .   ? -26.516 -7.176  30.570  1.000 38.019  ? 562 HOH AAA O   1 ? 
HETATM 2325 O  O   . HOH F 6 .   ? -26.159 -6.559  33.627  1.000 36.937  ? 563 HOH AAA O   1 ? 
HETATM 2326 O  O   . HOH F 6 .   ? 1.117   -1.513  29.610  1.000 13.547  ? 564 HOH AAA O   1 ? 
HETATM 2327 O  O   . HOH F 6 .   ? -9.184  -5.685  36.106  1.000 20.268  ? 565 HOH AAA O   1 ? 
HETATM 2328 O  O   . HOH F 6 .   ? -13.245 -5.657  -5.732  1.000 33.374  ? 566 HOH AAA O   1 ? 
HETATM 2329 O  O   . HOH F 6 .   ? -0.802  -8.375  32.879  1.000 24.713  ? 567 HOH AAA O   1 ? 
HETATM 2330 O  O   . HOH F 6 .   ? -14.896 6.413   32.820  1.000 33.875  ? 568 HOH AAA O   1 ? 
HETATM 2331 O  O   . HOH F 6 .   ? 1.294   -6.872  -7.663  1.000 33.406  ? 569 HOH AAA O   1 ? 
HETATM 2332 O  O   . HOH F 6 .   ? -24.033 -0.839  26.708  1.000 30.047  ? 570 HOH AAA O   1 ? 
HETATM 2333 O  O   . HOH F 6 .   ? -21.333 -19.725 6.811   1.000 33.787  ? 571 HOH AAA O   1 ? 
HETATM 2334 O  O   . HOH F 6 .   ? -20.608 13.872  28.745  1.000 35.140  ? 572 HOH AAA O   1 ? 
HETATM 2335 O  O   . HOH F 6 .   ? -9.364  15.528  12.261  1.000 20.053  ? 573 HOH AAA O   1 ? 
HETATM 2336 O  O   . HOH F 6 .   ? -16.443 -9.990  33.092  1.000 20.862  ? 574 HOH AAA O   1 ? 
HETATM 2337 O  O   . HOH F 6 .   ? 4.193   -6.721  7.952   1.000 20.737  ? 575 HOH AAA O   1 ? 
HETATM 2338 O  O   . HOH F 6 .   ? -23.100 -11.751 14.132  1.000 19.963  ? 576 HOH AAA O   1 ? 
HETATM 2339 O  O   . HOH F 6 .   ? -8.116  -19.309 21.838  1.000 22.907  ? 577 HOH AAA O   1 ? 
HETATM 2340 O  O   . HOH F 6 .   ? -3.622  4.506   7.772   1.000 31.412  ? 578 HOH AAA O   1 ? 
HETATM 2341 O  O   . HOH F 6 .   ? -5.266  16.114  12.242  1.000 31.311  ? 579 HOH AAA O   1 ? 
HETATM 2342 O  O   . HOH F 6 .   ? -18.671 3.794   -3.614  1.000 36.613  ? 580 HOH AAA O   1 ? 
HETATM 2343 O  O   . HOH F 6 .   ? -19.156 1.964   41.076  1.000 46.803  ? 581 HOH AAA O   1 ? 
HETATM 2344 O  O   . HOH F 6 .   ? 10.312  -8.882  8.810   1.000 30.877  ? 582 HOH AAA O   1 ? 
HETATM 2345 O  O   . HOH F 6 .   ? -10.890 -4.907  38.075  1.000 50.450  ? 583 HOH AAA O   1 ? 
HETATM 2346 O  O   . HOH F 6 .   ? -24.838 12.332  6.384   1.000 46.056  ? 584 HOH AAA O   1 ? 
HETATM 2347 O  O   . HOH F 6 .   ? -2.217  -12.303 23.055  1.000 11.002  ? 585 HOH AAA O   1 ? 
HETATM 2348 O  O   . HOH F 6 .   ? 9.962   -2.610  13.860  1.000 27.919  ? 586 HOH AAA O   1 ? 
HETATM 2349 O  O   . HOH F 6 .   ? -5.586  3.447   -5.687  1.000 34.253  ? 587 HOH AAA O   1 ? 
HETATM 2350 O  O   . HOH F 6 .   ? -18.418 -7.935  39.245  1.000 41.263  ? 588 HOH AAA O   1 ? 
HETATM 2351 O  O   . HOH F 6 .   ? -8.572  -19.807 26.615  1.000 36.881  ? 589 HOH AAA O   1 ? 
HETATM 2352 O  O   . HOH F 6 .   ? 2.846   -14.611 1.143   1.000 30.814  ? 590 HOH AAA O   1 ? 
HETATM 2353 O  O   . HOH F 6 .   ? 0.184   0.797   -6.752  1.000 33.392  ? 591 HOH AAA O   1 ? 
HETATM 2354 O  O   . HOH F 6 .   ? 7.545   6.030   21.798  1.000 15.513  ? 592 HOH AAA O   1 ? 
HETATM 2355 O  O   . HOH F 6 .   ? -9.784  -8.003  34.280  1.000 23.533  ? 593 HOH AAA O   1 ? 
HETATM 2356 O  O   . HOH F 6 .   ? -7.357  1.663   35.257  1.000 21.561  ? 594 HOH AAA O   1 ? 
HETATM 2357 O  O   . HOH F 6 .   ? -10.917 17.866  12.289  1.000 24.816  ? 595 HOH AAA O   1 ? 
HETATM 2358 O  O   . HOH F 6 .   ? -31.154 -7.155  22.654  1.000 27.748  ? 596 HOH AAA O   1 ? 
HETATM 2359 O  O   . HOH F 6 .   ? -7.498  -8.741  -2.160  1.000 25.513  ? 597 HOH AAA O   1 ? 
HETATM 2360 O  O   . HOH F 6 .   ? -17.032 -0.890  40.275  1.000 35.516  ? 598 HOH AAA O   1 ? 
HETATM 2361 O  O   . HOH F 6 .   ? -1.804  11.109  26.137  1.000 28.569  ? 599 HOH AAA O   1 ? 
HETATM 2362 O  O   . HOH F 6 .   ? -24.879 -9.694  1.972   1.000 30.690  ? 600 HOH AAA O   1 ? 
HETATM 2363 O  O   . HOH F 6 .   ? -5.495  7.865   5.312   1.000 33.101  ? 601 HOH AAA O   1 ? 
HETATM 2364 O  O   . HOH F 6 .   ? -13.830 4.041   33.441  1.000 42.086  ? 602 HOH AAA O   1 ? 
HETATM 2365 O  O   . HOH F 6 .   ? -18.095 -12.088 31.528  1.000 28.614  ? 603 HOH AAA O   1 ? 
HETATM 2366 O  O   . HOH F 6 .   ? 0.098   -2.021  39.877  1.000 44.560  ? 604 HOH AAA O   1 ? 
HETATM 2367 O  O   . HOH F 6 .   ? -12.981 -17.280 17.109  1.000 15.899  ? 605 HOH AAA O   1 ? 
HETATM 2368 O  O   . HOH F 6 .   ? -17.599 20.052  17.540  1.000 26.914  ? 606 HOH AAA O   1 ? 
HETATM 2369 O  O   . HOH F 6 .   ? -25.550 4.756   4.031   1.000 40.531  ? 607 HOH AAA O   1 ? 
HETATM 2370 O  O   . HOH F 6 .   ? -22.913 -9.628  25.632  1.000 31.241  ? 608 HOH AAA O   1 ? 
HETATM 2371 O  O   . HOH F 6 .   ? -9.942  3.882   37.529  1.000 53.131  ? 609 HOH AAA O   1 ? 
HETATM 2372 O  O   . HOH F 6 .   ? -20.068 -16.186 21.822  1.000 48.687  ? 610 HOH AAA O   1 ? 
HETATM 2373 O  O   . HOH F 6 .   ? 4.930   8.799   22.473  1.000 49.335  ? 611 HOH AAA O   1 ? 
HETATM 2374 O  O   . HOH F 6 .   ? -18.426 -8.898  34.914  1.000 44.557  ? 612 HOH AAA O   1 ? 
HETATM 2375 O  O   . HOH F 6 .   ? 1.860   -2.857  37.771  1.000 42.267  ? 613 HOH AAA O   1 ? 
HETATM 2376 O  O   . HOH F 6 .   ? -13.083 9.543   -1.460  1.000 46.354  ? 614 HOH AAA O   1 ? 
HETATM 2377 O  O   . HOH F 6 .   ? -8.503  -17.602 35.263  1.000 24.694  ? 615 HOH AAA O   1 ? 
HETATM 2378 O  O   . HOH F 6 .   ? 2.614   6.526   32.363  1.000 32.700  ? 616 HOH AAA O   1 ? 
HETATM 2379 O  O   . HOH F 6 .   ? -16.807 -18.219 20.418  1.000 33.889  ? 617 HOH AAA O   1 ? 
HETATM 2380 O  O   . HOH F 6 .   ? -3.999  13.101  11.735  1.000 47.976  ? 618 HOH AAA O   1 ? 
HETATM 2381 O  O   . HOH F 6 .   ? 11.852  -6.855  8.047   1.000 43.465  ? 619 HOH AAA O   1 ? 
HETATM 2382 O  O   . HOH F 6 .   ? -11.675 0.632   -7.530  1.000 40.652  ? 620 HOH AAA O   1 ? 
HETATM 2383 O  O   . HOH F 6 .   ? -10.728 5.056   30.992  1.000 22.823  ? 621 HOH AAA O   1 ? 
HETATM 2384 O  O   . HOH F 6 .   ? -16.998 -14.028 26.383  1.000 22.875  ? 622 HOH AAA O   1 ? 
HETATM 2385 O  O   . HOH F 6 .   ? -5.237  -9.754  33.709  1.000 33.653  ? 623 HOH AAA O   1 ? 
HETATM 2386 O  O   . HOH F 6 .   ? -16.194 17.066  26.571  1.000 35.150  ? 624 HOH AAA O   1 ? 
HETATM 2387 O  O   . HOH F 6 .   ? 5.901   9.012   15.883  1.000 42.887  ? 625 HOH AAA O   1 ? 
HETATM 2388 O  O   . HOH F 6 .   ? -29.318 -5.921  24.505  1.000 27.844  ? 626 HOH AAA O   1 ? 
HETATM 2389 O  O   . HOH F 6 .   ? 1.830   -14.051 20.779  1.000 23.307  ? 627 HOH AAA O   1 ? 
HETATM 2390 O  O   . HOH F 6 .   ? -1.041  -17.516 -1.707  1.000 32.680  ? 628 HOH AAA O   1 ? 
HETATM 2391 O  O   . HOH F 6 .   ? -1.928  -17.368 25.935  1.000 30.829  ? 629 HOH AAA O   1 ? 
HETATM 2392 O  O   . HOH F 6 .   ? -24.135 -7.545  0.276   1.000 34.638  ? 630 HOH AAA O   1 ? 
HETATM 2393 O  O   . HOH F 6 .   ? -1.555  -12.968 27.360  1.000 24.216  ? 631 HOH AAA O   1 ? 
HETATM 2394 O  O   . HOH F 6 .   ? -8.831  -20.554 24.014  1.000 40.392  ? 632 HOH AAA O   1 ? 
HETATM 2395 O  O   . HOH F 6 .   ? -11.669 10.685  0.840   1.000 28.955  ? 633 HOH AAA O   1 ? 
HETATM 2396 O  O   . HOH F 6 .   ? -8.129  7.481   8.648   1.000 36.286  ? 634 HOH AAA O   1 ? 
HETATM 2397 O  O   . HOH F 6 .   ? -1.387  -11.038 29.235  1.000 19.328  ? 635 HOH AAA O   1 ? 
HETATM 2398 O  O   . HOH F 6 .   ? -16.924 -14.624 29.027  1.000 43.049  ? 636 HOH AAA O   1 ? 
HETATM 2399 O  O   . HOH F 6 .   ? 6.081   5.484   29.354  1.000 36.235  ? 637 HOH AAA O   1 ? 
HETATM 2400 O  O   . HOH F 6 .   ? -7.487  16.840  10.631  1.000 27.190  ? 638 HOH AAA O   1 ? 
HETATM 2401 O  O   . HOH F 6 .   ? -11.326 15.545  32.585  1.000 24.139  ? 639 HOH AAA O   1 ? 
HETATM 2402 O  O   . HOH F 6 .   ? 4.501   -5.646  34.229  1.000 46.032  ? 640 HOH AAA O   1 ? 
HETATM 2403 O  O   . HOH F 6 .   ? -12.880 -19.554 26.342  1.000 26.364  ? 641 HOH AAA O   1 ? 
HETATM 2404 O  O   . HOH F 6 .   ? 6.556   8.383   18.078  1.000 27.987  ? 642 HOH AAA O   1 ? 
HETATM 2405 O  O   . HOH F 6 .   ? -10.793 -20.687 25.115  1.000 23.828  ? 643 HOH AAA O   1 ? 
HETATM 2406 O  O   . HOH F 6 .   ? -29.540 -3.787  13.540  1.000 33.507  ? 644 HOH AAA O   1 ? 
HETATM 2407 O  O   . HOH F 6 .   ? 3.888   -13.636 22.306  1.000 38.128  ? 645 HOH AAA O   1 ? 
HETATM 2408 O  O   . HOH F 6 .   ? -2.329  7.527   -5.289  1.000 21.556  ? 646 HOH AAA O   1 ? 
HETATM 2409 O  O   . HOH F 6 .   ? -34.445 -9.501  16.822  1.000 27.498  ? 647 HOH AAA O   1 ? 
HETATM 2410 O  O   . HOH F 6 .   ? 14.526  4.401   23.912  1.000 26.901  ? 648 HOH AAA O   1 ? 
HETATM 2411 O  O   . HOH F 6 .   ? -3.339  -17.971 0.027   1.000 29.692  ? 649 HOH AAA O   1 ? 
HETATM 2412 O  O   . HOH F 6 .   ? -6.092  6.760   -7.820  1.000 57.724  ? 650 HOH AAA O   1 ? 
HETATM 2413 O  O   . HOH F 6 .   ? -1.085  2.405   -13.468 1.000 39.204  ? 651 HOH AAA O   1 ? 
HETATM 2414 O  O   . HOH F 6 .   ? 13.689  5.629   25.875  1.000 37.149  ? 652 HOH AAA O   1 ? 
HETATM 2415 O  O   . HOH F 6 .   ? -1.869  5.434   -9.567  1.000 27.068  ? 653 HOH AAA O   1 ? 
HETATM 2416 O  O   . HOH F 6 .   ? -12.136 13.291  1.921   1.000 33.305  ? 654 HOH AAA O   1 ? 
HETATM 2417 O  O   . HOH F 6 .   ? -2.593  7.332   -8.165  1.000 31.958  ? 655 HOH AAA O   1 ? 
HETATM 2418 O  O   . HOH F 6 .   ? -3.216  6.816   -12.201 1.000 33.076  ? 656 HOH AAA O   1 ? 
HETATM 2419 O  O   . HOH F 6 .   ? -2.444  9.294   -9.516  1.000 21.734  ? 657 HOH AAA O   1 ? 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N  N   . HIS A 3   ? 0.104 0.757 0.513 0.118  -0.074 -0.005 3   HIS AAA N   
2    C  CA  . HIS A 3   ? 0.325 0.620 0.670 0.182  0.087  0.031  3   HIS AAA CA  
3    C  C   . HIS A 3   ? 0.270 0.790 0.540 0.184  0.016  0.014  3   HIS AAA C   
4    O  O   . HIS A 3   ? 0.747 0.568 0.541 0.039  0.011  -0.069 3   HIS AAA O   
5    C  CB  . HIS A 3   ? 0.339 0.667 0.695 0.201  0.096  0.124  3   HIS AAA CB  
6    C  CG  . HIS A 3   ? 0.160 0.578 0.581 0.058  0.056  0.037  3   HIS AAA CG  
7    N  ND1 . HIS A 3   ? 0.343 0.559 0.517 0.025  0.006  0.057  3   HIS AAA ND1 
8    C  CD2 . HIS A 3   ? 0.533 0.853 0.575 -0.047 0.242  0.301  3   HIS AAA CD2 
9    C  CE1 . HIS A 3   ? 0.485 0.638 0.721 -0.088 0.182  0.144  3   HIS AAA CE1 
10   N  NE2 . HIS A 3   ? 0.644 0.750 0.655 -0.057 0.153  0.127  3   HIS AAA NE2 
11   N  N   . HIS A 4   ? 0.126 0.555 0.482 0.022  0.061  -0.003 4   HIS AAA N   
12   C  CA  . HIS A 4   ? 0.222 0.445 0.415 -0.073 0.136  0.013  4   HIS AAA CA  
13   C  C   . HIS A 4   ? 0.252 0.417 0.319 -0.034 0.131  0.004  4   HIS AAA C   
14   O  O   . HIS A 4   ? 0.093 0.447 0.363 0.014  0.051  -0.060 4   HIS AAA O   
15   C  CB  . HIS A 4   ? 0.288 0.488 0.686 0.043  0.114  0.102  4   HIS AAA CB  
16   C  CG  . HIS A 4   ? 0.918 0.536 0.999 0.108  0.158  0.050  4   HIS AAA CG  
17   N  ND1 . HIS A 4   ? 1.381 0.920 0.746 0.008  -0.240 0.320  4   HIS AAA ND1 
18   C  CD2 . HIS A 4   ? 0.448 0.904 0.988 -0.057 -0.006 0.224  4   HIS AAA CD2 
19   C  CE1 . HIS A 4   ? 1.685 0.513 1.260 -0.082 0.094  0.325  4   HIS AAA CE1 
20   N  NE2 . HIS A 4   ? 1.317 0.800 1.041 -0.086 0.194  -0.085 4   HIS AAA NE2 
21   N  N   . TRP A 5   ? 0.129 0.227 0.349 -0.066 0.055  -0.029 5   TRP AAA N   
22   C  CA  . TRP A 5   ? 0.059 0.184 0.324 -0.040 0.022  -0.018 5   TRP AAA CA  
23   C  C   . TRP A 5   ? 0.051 0.168 0.245 -0.012 0.030  -0.005 5   TRP AAA C   
24   O  O   . TRP A 5   ? 0.054 0.230 0.281 -0.005 0.014  0.008  5   TRP AAA O   
25   C  CB  . TRP A 5   ? 0.032 0.198 0.276 -0.040 -0.001 -0.026 5   TRP AAA CB  
26   C  CG  . TRP A 5   ? 0.053 0.174 0.254 -0.035 0.031  0.007  5   TRP AAA CG  
27   C  CD1 . TRP A 5   ? 0.082 0.187 0.290 -0.067 0.037  0.039  5   TRP AAA CD1 
28   C  CD2 . TRP A 5   ? 0.045 0.153 0.223 -0.017 -0.005 -0.007 5   TRP AAA CD2 
29   N  NE1 . TRP A 5   ? 0.124 0.186 0.275 -0.001 0.007  0.011  5   TRP AAA NE1 
30   C  CE2 . TRP A 5   ? 0.084 0.183 0.219 0.012  -0.011 0.011  5   TRP AAA CE2 
31   C  CE3 . TRP A 5   ? 0.006 0.148 0.230 -0.003 0.002  -0.018 5   TRP AAA CE3 
32   C  CZ2 . TRP A 5   ? 0.082 0.214 0.229 0.035  -0.007 -0.019 5   TRP AAA CZ2 
33   C  CZ3 . TRP A 5   ? 0.007 0.180 0.251 -0.003 0.014  -0.031 5   TRP AAA CZ3 
34   C  CH2 . TRP A 5   ? 0.019 0.217 0.242 0.046  -0.007 -0.055 5   TRP AAA CH2 
35   N  N   . GLY A 6   ? 0.036 0.163 0.255 0.003  0.021  -0.009 6   GLY AAA N   
36   C  CA  . GLY A 6   ? 0.028 0.186 0.245 0.005  0.008  -0.015 6   GLY AAA CA  
37   C  C   . GLY A 6   ? 0.014 0.164 0.231 0.027  0.023  -0.022 6   GLY AAA C   
38   O  O   . GLY A 6   ? 0.009 0.198 0.249 0.022  0.001  -0.022 6   GLY AAA O   
39   N  N   . TYR A 7   ? 0.023 0.174 0.244 0.009  0.016  -0.020 7   TYR AAA N   
40   C  CA  . TYR A 7   ? 0.021 0.178 0.277 0.032  0.005  0.013  7   TYR AAA CA  
41   C  C   . TYR A 7   ? 0.073 0.222 0.465 0.050  0.135  -0.013 7   TYR AAA C   
42   O  O   . TYR A 7   ? 0.175 0.209 0.699 0.081  0.201  0.089  7   TYR AAA O   
43   C  CB  . TYR A 7   ? 0.024 0.167 0.252 0.019  0.019  -0.016 7   TYR AAA CB  
44   C  CG  . TYR A 7   ? 0.008 0.117 0.239 -0.014 0.003  -0.010 7   TYR AAA CG  
45   C  CD1 . TYR A 7   ? 0.009 0.141 0.260 -0.005 0.023  -0.018 7   TYR AAA CD1 
46   C  CD2 . TYR A 7   ? 0.047 0.139 0.198 -0.014 0.006  -0.022 7   TYR AAA CD2 
47   C  CE1 . TYR A 7   ? 0.020 0.122 0.174 -0.006 0.008  -0.016 7   TYR AAA CE1 
48   C  CE2 . TYR A 7   ? 0.034 0.124 0.208 -0.006 -0.002 -0.002 7   TYR AAA CE2 
49   C  CZ  . TYR A 7   ? 0.010 0.129 0.206 -0.018 -0.015 -0.017 7   TYR AAA CZ  
50   O  OH  . TYR A 7   ? 0.042 0.137 0.217 0.012  -0.012 -0.011 7   TYR AAA OH  
51   N  N   . GLY A 8   ? 0.028 0.227 0.492 0.016  0.095  -0.050 8   GLY AAA N   
52   C  CA  . GLY A 8   ? 0.228 0.195 0.545 0.052  0.211  -0.078 8   GLY AAA CA  
53   C  C   . GLY A 8   ? 0.315 0.304 0.611 0.073  0.116  0.033  8   GLY AAA C   
54   O  O   . GLY A 8   ? 0.160 0.369 0.528 0.111  0.147  0.066  8   GLY AAA O   
55   N  N   . LYS A 9   ? 0.263 0.272 0.799 0.007  0.162  -0.072 9   LYS AAA N   
56   C  CA  . LYS A 9   ? 0.569 0.452 0.651 0.072  0.129  0.002  9   LYS AAA CA  
57   C  C   . LYS A 9   ? 0.385 0.504 0.504 0.121  0.138  0.159  9   LYS AAA C   
58   O  O   . LYS A 9   ? 0.268 0.356 0.542 0.108  0.191  0.080  9   LYS AAA O   
59   C  CB  . LYS A 9   ? 0.593 0.602 0.659 0.062  0.427  0.010  9   LYS AAA CB  
60   C  CG  . LYS A 9   ? 0.677 0.739 0.677 -0.059 0.418  0.026  9   LYS AAA CG  
61   N  N   . HIS A 10  ? 0.179 0.273 0.461 0.133  0.162  0.072  10  HIS AAA N   
62   C  CA  . HIS A 10  ? 0.139 0.365 0.394 0.072  0.049  0.054  10  HIS AAA CA  
63   C  C   . HIS A 10  ? 0.069 0.336 0.359 0.067  -0.008 0.037  10  HIS AAA C   
64   O  O   . HIS A 10  ? 0.064 0.446 0.327 0.088  0.009  -0.061 10  HIS AAA O   
65   C  CB  . HIS A 10  ? 0.110 0.378 0.456 0.081  0.135  0.018  10  HIS AAA CB  
66   C  CG  . HIS A 10  ? 0.313 0.358 0.565 0.077  0.132  0.025  10  HIS AAA CG  
67   N  ND1 . HIS A 10  ? 0.245 0.460 0.623 0.115  0.200  0.152  10  HIS AAA ND1 
68   C  CD2 . HIS A 10  ? 0.053 0.431 0.554 0.058  0.030  0.081  10  HIS AAA CD2 
69   C  CE1 . HIS A 10  ? 0.331 0.418 0.541 0.090  0.248  0.182  10  HIS AAA CE1 
70   N  NE2 . HIS A 10  ? 0.306 0.404 0.685 0.185  0.152  -0.011 10  HIS AAA NE2 
71   N  N   . ASN A 11  ? 0.075 0.314 0.338 0.069  0.029  0.018  11  ASN AAA N   
72   C  CA  . ASN A 11  ? 0.047 0.306 0.280 -0.007 0.033  -0.059 11  ASN AAA CA  
73   C  C   . ASN A 11  ? 0.056 0.303 0.261 0.061  0.030  0.005  11  ASN AAA C   
74   O  O   . ASN A 11  ? 0.028 0.268 0.269 0.014  0.012  0.012  11  ASN AAA O   
75   C  CB  . ASN A 11  ? 0.021 0.273 0.309 0.003  0.065  -0.036 11  ASN AAA CB  
76   C  CG  . ASN A 11  ? 0.038 0.256 0.275 0.001  0.025  -0.021 11  ASN AAA CG  
77   O  OD1 . ASN A 11  ? 0.103 0.269 0.302 -0.026 0.035  -0.028 11  ASN AAA OD1 
78   N  ND2 . ASN A 11  ? 0.045 0.308 0.293 -0.005 0.028  0.009  11  ASN AAA ND2 
79   N  N   . GLY A 12  ? 0.023 0.306 0.251 0.066  0.022  -0.003 12  GLY AAA N   
80   C  CA  . GLY A 12  ? 0.031 0.275 0.240 0.047  0.029  -0.003 12  GLY AAA CA  
81   C  C   . GLY A 12  ? 0.054 0.224 0.237 0.033  0.022  0.001  12  GLY AAA C   
82   O  O   . GLY A 12  ? 0.014 0.228 0.296 0.041  0.003  0.007  12  GLY AAA O   
83   N  N   . PRO A 13  ? 0.024 0.185 0.221 0.033  0.002  -0.000 13  PRO AAA N   
84   C  CA  . PRO A 13  ? 0.037 0.158 0.245 0.004  0.010  -0.006 13  PRO AAA CA  
85   C  C   . PRO A 13  ? 0.055 0.147 0.223 0.030  0.013  -0.004 13  PRO AAA C   
86   O  O   . PRO A 13  ? 0.007 0.172 0.254 0.005  0.008  -0.020 13  PRO AAA O   
87   C  CB  . PRO A 13  ? 0.051 0.161 0.243 0.012  0.035  0.004  13  PRO AAA CB  
88   C  CG  . PRO A 13  ? 0.109 0.150 0.239 0.008  0.031  -0.003 13  PRO AAA CG  
89   C  CD  . PRO A 13  ? 0.040 0.201 0.225 0.003  0.006  0.010  13  PRO AAA CD  
90   N  N   . GLU A 14  ? 0.106 0.147 0.264 0.048  0.001  0.003  14  GLU AAA N   
91   C  CA  . GLU A 14  ? 0.091 0.221 0.266 0.057  0.005  0.022  14  GLU AAA CA  
92   C  C   . GLU A 14  ? 0.065 0.201 0.265 0.089  -0.010 0.021  14  GLU AAA C   
93   O  O   . GLU A 14  ? 0.061 0.266 0.295 0.064  -0.043 0.041  14  GLU AAA O   
94   C  CB  . GLU A 14  ? 0.176 0.261 0.366 0.092  -0.112 0.069  14  GLU AAA CB  
95   C  CG  . GLU A 14  ? 0.303 0.379 0.504 0.010  -0.036 0.053  14  GLU AAA CG  
96   C  CD  . GLU A 14  ? 0.318 0.571 0.488 0.163  -0.074 0.075  14  GLU AAA CD  
97   O  OE1 . GLU A 14  ? 0.652 0.785 0.747 -0.020 -0.402 0.015  14  GLU AAA OE1 
98   O  OE2 . GLU A 14  ? 0.347 0.585 0.513 0.258  -0.132 -0.064 14  GLU AAA OE2 
99   N  N   . HIS A 15  ? 0.041 0.207 0.252 0.071  -0.009 0.008  15  HIS AAA N   
100  C  CA  . HIS A 15  ? 0.033 0.215 0.265 0.058  -0.016 0.001  15  HIS AAA CA  
101  C  C   . HIS A 15  ? 0.020 0.209 0.259 0.052  -0.007 0.012  15  HIS AAA C   
102  O  O   . HIS A 15  ? 0.009 0.236 0.307 0.024  -0.013 0.002  15  HIS AAA O   
103  C  CB  . HIS A 15  ? 0.039 0.258 0.255 0.080  0.011  0.011  15  HIS AAA CB  
104  C  CG  . HIS A 15  ? 0.081 0.300 0.313 0.102  0.001  -0.027 15  HIS AAA CG  
105  N  ND1 . HIS A 15  ? 0.059 0.610 0.290 0.118  -0.025 -0.089 15  HIS AAA ND1 
106  C  CD2 . HIS A 15  ? 0.170 0.312 0.354 0.130  -0.011 -0.032 15  HIS AAA CD2 
107  C  CE1 . HIS A 15  ? 0.414 0.598 0.347 0.132  -0.095 -0.152 15  HIS AAA CE1 
108  N  NE2 . HIS A 15  ? 0.308 0.400 0.369 0.287  -0.012 -0.090 15  HIS AAA NE2 
109  N  N   . TRP A 16  ? 0.007 0.177 0.278 0.009  -0.003 -0.015 16  TRP AAA N   
110  C  CA  . TRP A 16  ? 0.011 0.173 0.240 0.018  0.023  -0.001 16  TRP AAA CA  
111  C  C   . TRP A 16  ? 0.010 0.199 0.254 0.028  0.000  0.006  16  TRP AAA C   
112  O  O   . TRP A 16  ? 0.007 0.201 0.313 0.005  -0.017 0.006  16  TRP AAA O   
113  C  CB  . TRP A 16  ? 0.008 0.175 0.239 0.018  -0.005 -0.037 16  TRP AAA CB  
114  C  CG  . TRP A 16  ? 0.008 0.169 0.209 0.013  -0.013 -0.005 16  TRP AAA CG  
115  C  CD1 . TRP A 16  ? 0.007 0.197 0.210 0.006  0.006  -0.009 16  TRP AAA CD1 
116  C  CD2 . TRP A 16  ? 0.012 0.154 0.242 0.027  0.017  0.008  16  TRP AAA CD2 
117  N  NE1 . TRP A 16  ? 0.012 0.211 0.244 0.029  0.015  -0.038 16  TRP AAA NE1 
118  C  CE2 . TRP A 16  ? 0.008 0.151 0.254 0.012  0.016  -0.005 16  TRP AAA CE2 
119  C  CE3 . TRP A 16  ? 0.007 0.148 0.258 0.004  0.005  -0.016 16  TRP AAA CE3 
120  C  CZ2 . TRP A 16  ? 0.007 0.148 0.227 -0.003 0.007  -0.003 16  TRP AAA CZ2 
121  C  CZ3 . TRP A 16  ? 0.007 0.169 0.283 0.008  -0.001 -0.012 16  TRP AAA CZ3 
122  C  CH2 . TRP A 16  ? 0.012 0.145 0.262 0.026  0.019  0.010  16  TRP AAA CH2 
123  N  N   . HIS A 17  ? 0.010 0.168 0.226 0.024  0.006  -0.005 17  HIS AAA N   
124  C  CA  . HIS A 17  ? 0.023 0.166 0.258 0.024  -0.026 -0.013 17  HIS AAA CA  
125  C  C   . HIS A 17  ? 0.056 0.253 0.245 -0.016 -0.019 0.014  17  HIS AAA C   
126  O  O   . HIS A 17  ? 0.008 0.261 0.307 0.009  -0.021 -0.012 17  HIS AAA O   
127  C  CB  . HIS A 17  ? 0.047 0.233 0.243 0.035  -0.017 0.001  17  HIS AAA CB  
128  C  CG  . HIS A 17  ? 0.022 0.206 0.261 0.012  -0.025 0.025  17  HIS AAA CG  
129  N  ND1 . HIS A 17  ? 0.026 0.359 0.282 -0.020 -0.043 0.027  17  HIS AAA ND1 
130  C  CD2 . HIS A 17  ? 0.036 0.215 0.275 0.038  -0.012 0.018  17  HIS AAA CD2 
131  C  CE1 . HIS A 17  ? 0.076 0.373 0.295 0.030  0.029  0.018  17  HIS AAA CE1 
132  N  NE2 . HIS A 17  ? 0.060 0.286 0.317 0.090  0.005  0.054  17  HIS AAA NE2 
133  N  N   . LYS A 18  ? 0.025 0.242 0.243 -0.057 -0.034 0.007  18  LYS AAA N   
134  C  CA  . LYS A 18  ? 0.013 0.329 0.307 -0.036 -0.032 0.032  18  LYS AAA CA  
135  C  C   . LYS A 18  ? 0.013 0.293 0.315 -0.043 -0.007 0.011  18  LYS AAA C   
136  O  O   . LYS A 18  ? 0.046 0.299 0.441 -0.052 -0.082 0.052  18  LYS AAA O   
137  C  CB  . LYS A 18  ? 0.037 0.301 0.325 -0.006 0.024  0.076  18  LYS AAA CB  
138  C  CG  . LYS A 18  ? 0.031 0.333 0.315 0.034  0.045  0.076  18  LYS AAA CG  
139  C  CD  . LYS A 18  ? 0.013 0.379 0.300 0.048  -0.008 0.054  18  LYS AAA CD  
140  C  CE  . LYS A 18  ? 0.024 0.317 0.282 0.046  0.001  0.047  18  LYS AAA CE  
141  N  NZ  . LYS A 18  ? 0.037 0.401 0.303 0.107  0.035  0.064  18  LYS AAA NZ  
142  N  N   . ASP A 19  ? 0.009 0.238 0.359 -0.023 -0.015 0.025  19  ASP AAA N   
143  C  CA  . ASP A 19  ? 0.047 0.202 0.298 -0.023 0.034  0.013  19  ASP AAA CA  
144  C  C   . ASP A 19  ? 0.038 0.222 0.255 -0.009 0.008  0.030  19  ASP AAA C   
145  O  O   . ASP A 19  ? 0.027 0.217 0.351 -0.039 0.014  0.021  19  ASP AAA O   
146  C  CB  . ASP A 19  ? 0.160 0.324 0.292 0.018  0.018  -0.015 19  ASP AAA CB  
147  C  CG  . ASP A 19  ? 0.237 0.541 0.257 0.046  0.036  -0.020 19  ASP AAA CG  
148  O  OD1 . ASP A 19  ? 0.121 0.671 0.483 -0.084 0.040  0.025  19  ASP AAA OD1 
149  O  OD2 . ASP A 19  ? 0.207 0.722 0.460 -0.008 0.027  -0.208 19  ASP AAA OD2 
150  N  N   . PHE A 20  ? 0.024 0.178 0.256 0.024  0.007  0.029  20  PHE AAA N   
151  C  CA  . PHE A 20  ? 0.008 0.165 0.305 -0.004 -0.020 -0.004 20  PHE AAA CA  
152  C  C   . PHE A 20  ? 0.012 0.184 0.281 -0.017 -0.001 -0.015 20  PHE AAA C   
153  O  O   . PHE A 20  ? 0.006 0.181 0.274 0.001  0.000  0.018  20  PHE AAA O   
154  C  CB  . PHE A 20  ? 0.010 0.230 0.308 -0.029 0.009  -0.011 20  PHE AAA CB  
155  C  CG  . PHE A 20  ? 0.023 0.245 0.322 -0.062 0.002  0.004  20  PHE AAA CG  
156  C  CD1 . PHE A 20  ? 0.030 0.237 0.321 -0.074 -0.003 0.034  20  PHE AAA CD1 
157  C  CD2 . PHE A 20  ? 0.010 0.246 0.270 -0.024 -0.020 0.020  20  PHE AAA CD2 
158  C  CE1 . PHE A 20  ? 0.060 0.266 0.312 -0.043 -0.040 0.053  20  PHE AAA CE1 
159  C  CE2 . PHE A 20  ? 0.007 0.279 0.285 -0.013 0.008  0.011  20  PHE AAA CE2 
160  C  CZ  . PHE A 20  ? 0.055 0.291 0.314 -0.110 -0.042 0.066  20  PHE AAA CZ  
161  N  N   . PRO A 21  ? 0.013 0.201 0.302 -0.036 0.004  -0.004 21  PRO AAA N   
162  C  CA  . PRO A 21  ? 0.026 0.223 0.305 -0.064 -0.003 0.007  21  PRO AAA CA  
163  C  C   . PRO A 21  ? 0.009 0.204 0.283 -0.001 -0.025 -0.013 21  PRO AAA C   
164  O  O   . PRO A 21  ? 0.017 0.242 0.325 -0.027 -0.051 0.034  21  PRO AAA O   
165  C  CB  . PRO A 21  ? 0.031 0.313 0.293 -0.083 -0.028 0.004  21  PRO AAA CB  
166  C  CG  . PRO A 21  ? 0.135 0.299 0.391 -0.114 -0.049 0.000  21  PRO AAA CG  
167  C  CD  . PRO A 21  ? 0.024 0.239 0.354 -0.064 -0.022 0.046  21  PRO AAA CD  
168  N  N   . ILE A 22  ? 0.008 0.182 0.287 -0.011 -0.018 -0.015 22  ILE AAA N   
169  C  CA  A ILE A 22  ? 0.009 0.169 0.267 -0.007 -0.022 -0.016 22  ILE AAA CA  
170  C  CA  B ILE A 22  ? 0.014 0.189 0.271 -0.032 -0.020 -0.025 22  ILE AAA CA  
171  C  C   . ILE A 22  ? 0.010 0.172 0.233 -0.017 -0.021 -0.018 22  ILE AAA C   
172  O  O   . ILE A 22  ? 0.007 0.184 0.272 -0.008 0.007  -0.022 22  ILE AAA O   
173  C  CB  A ILE A 22  ? 0.034 0.143 0.288 0.013  -0.027 -0.024 22  ILE AAA CB  
174  C  CB  B ILE A 22  ? 0.033 0.174 0.285 -0.017 -0.004 -0.025 22  ILE AAA CB  
175  C  CG1 A ILE A 22  ? 0.008 0.199 0.311 -0.006 -0.021 -0.012 22  ILE AAA CG1 
176  C  CG1 B ILE A 22  ? 0.058 0.222 0.270 -0.059 0.020  -0.032 22  ILE AAA CG1 
177  C  CG2 A ILE A 22  ? 0.008 0.130 0.296 0.002  -0.023 -0.034 22  ILE AAA CG2 
178  C  CG2 B ILE A 22  ? 0.008 0.208 0.321 -0.013 -0.014 -0.041 22  ILE AAA CG2 
179  C  CD1 A ILE A 22  ? 0.029 0.196 0.318 0.008  -0.059 -0.021 22  ILE AAA CD1 
180  C  CD1 B ILE A 22  ? 0.077 0.214 0.232 -0.087 0.070  -0.047 22  ILE AAA CD1 
181  N  N   . ALA A 23  ? 0.012 0.171 0.263 -0.027 -0.016 -0.025 23  ALA AAA N   
182  C  CA  . ALA A 23  ? 0.014 0.155 0.243 -0.008 -0.019 -0.013 23  ALA AAA CA  
183  C  C   . ALA A 23  ? 0.013 0.169 0.239 -0.008 -0.024 -0.008 23  ALA AAA C   
184  O  O   . ALA A 23  ? 0.012 0.173 0.247 0.007  -0.015 0.010  23  ALA AAA O   
185  C  CB  . ALA A 23  ? 0.013 0.135 0.258 0.006  -0.039 -0.005 23  ALA AAA CB  
186  N  N   . LYS A 24  ? 0.008 0.210 0.266 -0.016 -0.013 0.007  24  LYS AAA N   
187  C  CA  . LYS A 24  ? 0.010 0.291 0.255 -0.032 -0.007 0.023  24  LYS AAA CA  
188  C  C   . LYS A 24  ? 0.031 0.293 0.221 -0.028 -0.027 0.006  24  LYS AAA C   
189  O  O   . LYS A 24  ? 0.063 0.289 0.257 0.004  -0.020 -0.010 24  LYS AAA O   
190  C  CB  . LYS A 24  ? 0.039 0.308 0.264 0.041  -0.048 0.023  24  LYS AAA CB  
191  C  CG  . LYS A 24  ? 0.044 0.387 0.288 0.061  -0.031 0.032  24  LYS AAA CG  
192  C  CD  . LYS A 24  ? 0.027 0.537 0.336 0.031  -0.033 -0.012 24  LYS AAA CD  
193  C  CE  . LYS A 24  ? 0.413 0.576 0.551 0.048  0.047  -0.035 24  LYS AAA CE  
194  N  NZ  . LYS A 24  ? 0.109 0.883 0.612 0.117  -0.087 -0.018 24  LYS AAA NZ  
195  N  N   . GLY A 25  ? 0.016 0.269 0.281 -0.048 -0.013 -0.013 25  GLY AAA N   
196  C  CA  . GLY A 25  ? 0.065 0.272 0.242 -0.048 -0.014 -0.012 25  GLY AAA CA  
197  C  C   . GLY A 25  ? 0.039 0.234 0.217 -0.020 -0.027 -0.027 25  GLY AAA C   
198  O  O   . GLY A 25  ? 0.024 0.258 0.246 -0.025 -0.027 -0.005 25  GLY AAA O   
199  N  N   . GLU A 26  ? 0.023 0.270 0.227 -0.010 -0.022 -0.030 26  GLU AAA N   
200  C  CA  . GLU A 26  ? 0.032 0.267 0.212 0.013  -0.016 -0.018 26  GLU AAA CA  
201  C  C   . GLU A 26  ? 0.038 0.220 0.205 0.002  -0.021 0.005  26  GLU AAA C   
202  O  O   . GLU A 26  ? 0.065 0.250 0.201 0.007  -0.023 -0.000 26  GLU AAA O   
203  C  CB  . GLU A 26  ? 0.075 0.318 0.214 -0.047 -0.013 -0.045 26  GLU AAA CB  
204  C  CG  . GLU A 26  ? 0.082 0.399 0.314 -0.075 -0.034 -0.063 26  GLU AAA CG  
205  C  CD  . GLU A 26  ? 0.247 0.510 0.335 -0.026 -0.149 0.032  26  GLU AAA CD  
206  O  OE1 . GLU A 26  ? 0.306 0.603 0.337 -0.089 -0.112 -0.015 26  GLU AAA OE1 
207  O  OE2 . GLU A 26  ? 0.254 0.589 0.565 -0.004 -0.110 0.082  26  GLU AAA OE2 
208  N  N   . ARG A 27  ? 0.010 0.157 0.207 -0.022 -0.007 -0.002 27  ARG AAA N   
209  C  CA  A ARG A 27  ? 0.008 0.107 0.202 -0.009 -0.015 0.003  27  ARG AAA CA  
210  C  CA  B ARG A 27  ? 0.007 0.182 0.214 -0.009 -0.010 0.011  27  ARG AAA CA  
211  C  C   . ARG A 27  ? 0.011 0.114 0.207 -0.013 -0.022 -0.001 27  ARG AAA C   
212  O  O   . ARG A 27  ? 0.010 0.146 0.209 0.009  -0.025 -0.013 27  ARG AAA O   
213  C  CB  A ARG A 27  ? 0.088 0.095 0.218 -0.007 -0.030 -0.037 27  ARG AAA CB  
214  C  CB  B ARG A 27  ? 0.105 0.246 0.307 0.056  0.007  0.001  27  ARG AAA CB  
215  C  CG  A ARG A 27  ? 0.074 0.162 0.228 -0.010 -0.028 0.006  27  ARG AAA CG  
216  C  CG  B ARG A 27  ? 0.037 0.289 0.422 -0.006 -0.058 0.017  27  ARG AAA CG  
217  C  CD  A ARG A 27  ? 0.141 0.081 0.199 -0.000 -0.019 0.008  27  ARG AAA CD  
218  C  CD  B ARG A 27  ? 0.093 0.349 0.519 0.056  -0.006 0.013  27  ARG AAA CD  
219  N  NE  A ARG A 27  ? 0.134 0.056 0.163 -0.039 0.010  -0.015 27  ARG AAA NE  
220  N  NE  B ARG A 27  ? 0.172 0.354 0.352 0.034  -0.111 -0.037 27  ARG AAA NE  
221  C  CZ  A ARG A 27  ? 0.025 0.121 0.166 -0.045 -0.006 -0.008 27  ARG AAA CZ  
222  C  CZ  B ARG A 27  ? 0.056 0.170 0.503 -0.031 -0.023 0.009  27  ARG AAA CZ  
223  N  NH1 A ARG A 27  ? 0.008 0.143 0.198 -0.011 -0.009 -0.043 27  ARG AAA NH1 
224  N  NH1 B ARG A 27  ? 0.193 0.340 0.374 -0.020 -0.060 -0.079 27  ARG AAA NH1 
225  N  NH2 A ARG A 27  ? 0.016 0.130 0.183 -0.027 -0.018 -0.037 27  ARG AAA NH2 
226  N  NH2 B ARG A 27  ? 0.064 0.189 0.316 0.043  -0.090 -0.036 27  ARG AAA NH2 
227  N  N   . GLN A 28  ? 0.008 0.130 0.218 0.003  -0.018 -0.002 28  GLN AAA N   
228  C  CA  . GLN A 28  ? 0.006 0.143 0.245 0.003  -0.001 -0.009 28  GLN AAA CA  
229  C  C   . GLN A 28  ? 0.007 0.114 0.190 0.001  -0.014 0.011  28  GLN AAA C   
230  O  O   . GLN A 28  ? 0.009 0.139 0.201 0.003  -0.023 -0.004 28  GLN AAA O   
231  C  CB  . GLN A 28  ? 0.007 0.111 0.255 0.002  -0.016 0.004  28  GLN AAA CB  
232  C  CG  . GLN A 28  ? 0.007 0.187 0.262 -0.014 -0.000 -0.021 28  GLN AAA CG  
233  C  CD  . GLN A 28  ? 0.016 0.183 0.239 -0.038 -0.012 -0.024 28  GLN AAA CD  
234  O  OE1 . GLN A 28  ? 0.010 0.138 0.222 -0.014 -0.020 0.001  28  GLN AAA OE1 
235  N  NE2 . GLN A 28  ? 0.012 0.158 0.290 -0.013 -0.034 -0.011 28  GLN AAA NE2 
236  N  N   . SER A 29  ? 0.010 0.113 0.188 -0.018 -0.009 -0.004 29  SER AAA N   
237  C  CA  . SER A 29  ? 0.009 0.112 0.204 -0.010 -0.016 -0.017 29  SER AAA CA  
238  C  C   . SER A 29  ? 0.007 0.103 0.191 -0.003 -0.007 -0.003 29  SER AAA C   
239  O  O   . SER A 29  ? 0.007 0.117 0.207 0.004  -0.003 -0.010 29  SER AAA O   
240  C  CB  . SER A 29  ? 0.007 0.129 0.168 0.007  -0.007 0.001  29  SER AAA CB  
241  O  OG  . SER A 29  ? 0.006 0.126 0.204 0.000  -0.001 -0.017 29  SER AAA OG  
242  N  N   . PRO A 30  ? 0.007 0.103 0.182 -0.001 -0.006 0.001  30  PRO AAA N   
243  C  CA  . PRO A 30  ? 0.007 0.092 0.196 0.006  0.006  0.008  30  PRO AAA CA  
244  C  C   . PRO A 30  ? 0.007 0.119 0.188 0.001  -0.010 0.008  30  PRO AAA C   
245  O  O   . PRO A 30  ? 0.009 0.122 0.206 0.009  -0.022 -0.001 30  PRO AAA O   
246  C  CB  . PRO A 30  ? 0.008 0.102 0.202 0.013  -0.004 0.003  30  PRO AAA CB  
247  C  CG  . PRO A 30  ? 0.008 0.103 0.204 0.002  -0.020 -0.010 30  PRO AAA CG  
248  C  CD  . PRO A 30  ? 0.007 0.099 0.192 -0.005 -0.010 -0.007 30  PRO AAA CD  
249  N  N   . VAL A 31  ? 0.006 0.122 0.184 0.002  0.001  0.016  31  VAL AAA N   
250  C  CA  . VAL A 31  ? 0.008 0.119 0.192 -0.007 -0.014 0.009  31  VAL AAA CA  
251  C  C   . VAL A 31  ? 0.016 0.098 0.185 0.003  -0.016 0.010  31  VAL AAA C   
252  O  O   . VAL A 31  ? 0.015 0.111 0.201 0.014  -0.029 0.016  31  VAL AAA O   
253  C  CB  . VAL A 31  ? 0.009 0.130 0.196 0.005  -0.024 -0.004 31  VAL AAA CB  
254  C  CG1 . VAL A 31  ? 0.019 0.134 0.211 -0.011 -0.003 -0.011 31  VAL AAA CG1 
255  C  CG2 . VAL A 31  ? 0.008 0.121 0.248 0.005  -0.016 -0.026 31  VAL AAA CG2 
256  N  N   . ASP A 32  ? 0.008 0.110 0.206 0.012  -0.010 0.019  32  ASP AAA N   
257  C  CA  . ASP A 32  ? 0.035 0.102 0.185 -0.005 -0.000 0.008  32  ASP AAA CA  
258  C  C   . ASP A 32  ? 0.030 0.131 0.176 -0.011 -0.019 -0.006 32  ASP AAA C   
259  O  O   . ASP A 32  ? 0.030 0.169 0.204 -0.010 -0.020 -0.021 32  ASP AAA O   
260  C  CB  . ASP A 32  ? 0.045 0.117 0.216 0.014  -0.002 0.017  32  ASP AAA CB  
261  C  CG  . ASP A 32  ? 0.047 0.118 0.234 0.023  -0.019 0.039  32  ASP AAA CG  
262  O  OD1 . ASP A 32  ? 0.070 0.133 0.215 0.009  -0.018 0.013  32  ASP AAA OD1 
263  O  OD2 . ASP A 32  ? 0.133 0.154 0.217 0.001  -0.014 0.019  32  ASP AAA OD2 
264  N  N   . ILE A 33  ? 0.021 0.116 0.204 0.001  -0.016 -0.014 33  ILE AAA N   
265  C  CA  . ILE A 33  ? 0.020 0.115 0.215 0.013  -0.005 0.015  33  ILE AAA CA  
266  C  C   . ILE A 33  ? 0.057 0.121 0.190 0.038  -0.006 0.017  33  ILE AAA C   
267  O  O   . ILE A 33  ? 0.079 0.126 0.214 0.011  -0.005 0.012  33  ILE AAA O   
268  C  CB  . ILE A 33  ? 0.035 0.121 0.202 0.030  -0.005 0.015  33  ILE AAA CB  
269  C  CG1 . ILE A 33  ? 0.034 0.122 0.232 0.020  -0.015 0.007  33  ILE AAA CG1 
270  C  CG2 . ILE A 33  ? 0.026 0.152 0.248 0.023  0.006  0.009  33  ILE AAA CG2 
271  C  CD1 . ILE A 33  ? 0.047 0.166 0.236 0.021  -0.019 0.033  33  ILE AAA CD1 
272  N  N   . ASP A 34  ? 0.082 0.148 0.192 0.009  -0.006 0.013  34  ASP AAA N   
273  C  CA  A ASP A 34  ? 0.116 0.151 0.196 0.024  0.017  0.021  34  ASP AAA CA  
274  C  CA  B ASP A 34  ? 0.108 0.150 0.206 0.008  0.014  0.022  34  ASP AAA CA  
275  C  C   . ASP A 34  ? 0.105 0.170 0.164 0.009  0.003  0.019  34  ASP AAA C   
276  O  O   . ASP A 34  ? 0.145 0.172 0.209 0.049  0.019  0.013  34  ASP AAA O   
277  C  CB  A ASP A 34  ? 0.131 0.172 0.211 0.075  0.003  0.005  34  ASP AAA CB  
278  C  CB  B ASP A 34  ? 0.139 0.129 0.235 0.013  -0.014 0.035  34  ASP AAA CB  
279  C  CG  A ASP A 34  ? 0.176 0.174 0.275 0.032  0.011  0.022  34  ASP AAA CG  
280  C  CG  B ASP A 34  ? 0.141 0.176 0.228 -0.058 -0.025 0.044  34  ASP AAA CG  
281  O  OD1 A ASP A 34  ? 0.190 0.152 0.275 0.049  -0.004 0.038  34  ASP AAA OD1 
282  O  OD1 B ASP A 34  ? 0.123 0.195 0.246 -0.043 -0.026 0.058  34  ASP AAA OD1 
283  O  OD2 A ASP A 34  ? 0.333 0.246 0.253 0.077  0.020  0.006  34  ASP AAA OD2 
284  O  OD2 B ASP A 34  ? 0.217 0.229 0.285 0.011  -0.052 0.080  34  ASP AAA OD2 
285  N  N   . THR A 35  ? 0.094 0.160 0.220 0.024  -0.004 0.018  35  THR AAA N   
286  C  CA  . THR A 35  ? 0.105 0.236 0.252 0.083  -0.000 0.062  35  THR AAA CA  
287  C  C   . THR A 35  ? 0.132 0.281 0.242 0.095  0.024  0.058  35  THR AAA C   
288  O  O   . THR A 35  ? 0.204 0.354 0.294 0.138  0.049  0.026  35  THR AAA O   
289  C  CB  . THR A 35  ? 0.083 0.215 0.291 0.055  0.008  0.040  35  THR AAA CB  
290  O  OG1 . THR A 35  ? 0.106 0.214 0.269 0.020  0.018  0.049  35  THR AAA OG1 
291  C  CG2 . THR A 35  ? 0.207 0.228 0.273 0.046  -0.017 0.015  35  THR AAA CG2 
292  N  N   . HIS A 36  ? 0.162 0.187 0.227 0.076  0.041  0.040  36  HIS AAA N   
293  C  CA  . HIS A 36  ? 0.240 0.196 0.226 0.057  0.038  0.048  36  HIS AAA CA  
294  C  C   . HIS A 36  ? 0.355 0.244 0.226 0.024  0.072  -0.006 36  HIS AAA C   
295  O  O   . HIS A 36  ? 0.792 0.286 0.283 -0.054 0.200  -0.007 36  HIS AAA O   
296  C  CB  . HIS A 36  ? 0.220 0.206 0.234 0.039  0.046  0.074  36  HIS AAA CB  
297  C  CG  . HIS A 36  ? 0.545 0.187 0.327 0.063  -0.084 0.008  36  HIS AAA CG  
298  N  ND1 . HIS A 36  ? 0.604 0.290 0.295 0.203  -0.110 0.017  36  HIS AAA ND1 
299  C  CD2 . HIS A 36  ? 0.603 0.317 0.340 -0.052 -0.128 0.060  36  HIS AAA CD2 
300  C  CE1 . HIS A 36  ? 0.671 0.241 0.468 0.109  -0.154 0.090  36  HIS AAA CE1 
301  N  NE2 . HIS A 36  ? 0.716 0.266 0.379 0.022  -0.111 -0.002 36  HIS AAA NE2 
302  N  N   . THR A 37  ? 0.192 0.219 0.216 0.111  0.018  0.023  37  THR AAA N   
303  C  CA  . THR A 37  ? 0.320 0.168 0.231 0.091  0.080  0.002  37  THR AAA CA  
304  C  C   . THR A 37  ? 0.248 0.221 0.233 0.100  0.005  0.003  37  THR AAA C   
305  O  O   . THR A 37  ? 0.395 0.286 0.257 0.181  -0.059 -0.046 37  THR AAA O   
306  C  CB  . THR A 37  ? 0.215 0.282 0.412 0.189  -0.138 -0.081 37  THR AAA CB  
307  O  OG1 . THR A 37  ? 0.415 0.269 0.557 0.170  -0.170 -0.037 37  THR AAA OG1 
308  C  CG2 . THR A 37  ? 0.313 0.377 0.412 0.072  -0.092 -0.042 37  THR AAA CG2 
309  N  N   . ALA A 38  ? 0.200 0.177 0.218 0.072  0.027  0.016  38  ALA AAA N   
310  C  CA  . ALA A 38  ? 0.137 0.165 0.230 0.066  0.031  -0.002 38  ALA AAA CA  
311  C  C   . ALA A 38  ? 0.176 0.196 0.292 0.056  0.095  0.052  38  ALA AAA C   
312  O  O   . ALA A 38  ? 0.350 0.252 0.473 0.020  0.234  0.049  38  ALA AAA O   
313  C  CB  . ALA A 38  ? 0.125 0.176 0.253 0.043  -0.004 0.005  38  ALA AAA CB  
314  N  N   . LYS A 39  ? 0.162 0.255 0.332 0.127  0.047  0.012  39  LYS AAA N   
315  C  CA  . LYS A 39  ? 0.254 0.350 0.330 0.221  0.054  0.019  39  LYS AAA CA  
316  C  C   . LYS A 39  ? 0.121 0.247 0.242 0.072  0.039  -0.007 39  LYS AAA C   
317  O  O   . LYS A 39  ? 0.079 0.246 0.215 0.048  0.005  0.001  39  LYS AAA O   
318  C  CB  . LYS A 39  ? 0.381 0.445 0.401 0.271  -0.013 -0.084 39  LYS AAA CB  
319  C  CG  . LYS A 39  ? 0.378 0.879 0.484 0.395  -0.054 -0.042 39  LYS AAA CG  
320  C  CD  . LYS A 39  ? 0.540 0.770 0.302 0.280  0.008  0.059  39  LYS AAA CD  
321  C  CE  . LYS A 39  ? 0.232 0.766 0.397 0.159  -0.029 0.052  39  LYS AAA CE  
322  N  NZ  . LYS A 39  ? 0.237 0.751 0.444 0.152  0.012  0.129  39  LYS AAA NZ  
323  N  N   . TYR A 40  ? 0.199 0.233 0.239 0.004  0.070  0.002  40  TYR AAA N   
324  C  CA  . TYR A 40  ? 0.162 0.291 0.272 -0.030 0.034  0.003  40  TYR AAA CA  
325  C  C   . TYR A 40  ? 0.030 0.284 0.232 0.003  0.009  0.003  40  TYR AAA C   
326  O  O   . TYR A 40  ? 0.117 0.309 0.250 0.054  -0.003 -0.019 40  TYR AAA O   
327  C  CB  . TYR A 40  ? 0.250 0.348 0.254 -0.102 0.083  0.028  40  TYR AAA CB  
328  C  CG  . TYR A 40  ? 0.107 0.570 0.273 -0.128 0.058  -0.036 40  TYR AAA CG  
329  C  CD1 . TYR A 40  ? 0.130 0.533 0.247 -0.150 0.090  -0.035 40  TYR AAA CD1 
330  C  CD2 . TYR A 40  ? 0.327 0.630 0.308 -0.076 0.189  0.024  40  TYR AAA CD2 
331  C  CE1 . TYR A 40  ? 0.122 0.686 0.356 -0.064 -0.042 -0.002 40  TYR AAA CE1 
332  C  CE2 . TYR A 40  ? 0.261 0.606 0.567 -0.049 0.218  -0.109 40  TYR AAA CE2 
333  C  CZ  . TYR A 40  ? 0.496 0.896 0.406 -0.105 0.259  -0.108 40  TYR AAA CZ  
334  O  OH  . TYR A 40  ? 0.022 1.158 0.598 0.048  0.086  -0.105 40  TYR AAA OH  
335  N  N   . ASP A 41  ? 0.046 0.287 0.219 0.014  0.009  -0.001 41  ASP AAA N   
336  C  CA  . ASP A 41  ? 0.109 0.296 0.235 0.027  -0.042 -0.047 41  ASP AAA CA  
337  C  C   . ASP A 41  ? 0.156 0.338 0.239 0.069  -0.068 -0.010 41  ASP AAA C   
338  O  O   . ASP A 41  ? 0.074 0.378 0.253 0.021  -0.007 -0.026 41  ASP AAA O   
339  C  CB  . ASP A 41  ? 0.103 0.268 0.296 0.047  -0.026 -0.061 41  ASP AAA CB  
340  C  CG  . ASP A 41  ? 0.235 0.284 0.326 0.006  -0.060 -0.077 41  ASP AAA CG  
341  O  OD1 . ASP A 41  ? 0.315 0.256 0.384 0.038  -0.033 -0.056 41  ASP AAA OD1 
342  O  OD2 . ASP A 41  ? 0.342 0.300 0.592 -0.109 -0.131 -0.044 41  ASP AAA OD2 
343  N  N   . PRO A 42  ? 0.193 0.556 0.313 0.105  0.024  -0.005 42  PRO AAA N   
344  C  CA  . PRO A 42  ? 0.215 0.709 0.337 0.137  0.002  0.067  42  PRO AAA CA  
345  C  C   . PRO A 42  ? 0.248 0.726 0.311 0.101  0.099  0.054  42  PRO AAA C   
346  O  O   . PRO A 42  ? 0.305 0.910 0.384 0.231  0.042  0.081  42  PRO AAA O   
347  C  CB  . PRO A 42  ? 0.220 0.727 0.435 0.092  0.128  0.127  42  PRO AAA CB  
348  C  CG  . PRO A 42  ? 0.324 0.649 0.313 0.201  0.171  0.006  42  PRO AAA CG  
349  C  CD  . PRO A 42  ? 0.225 0.599 0.351 0.232  0.141  0.130  42  PRO AAA CD  
350  N  N   . SER A 43  ? 0.203 0.462 0.324 0.205  -0.011 -0.019 43  SER AAA N   
351  C  CA  . SER A 43  ? 0.505 0.422 0.351 0.302  -0.046 -0.033 43  SER AAA CA  
352  C  C   . SER A 43  ? 0.304 0.434 0.377 0.216  0.050  -0.039 43  SER AAA C   
353  O  O   . SER A 43  ? 0.496 0.436 0.503 0.271  -0.043 0.008  43  SER AAA O   
354  C  CB  . SER A 43  ? 0.623 0.375 0.454 0.205  -0.049 -0.046 43  SER AAA CB  
355  O  OG  . SER A 43  ? 0.665 0.361 0.409 0.161  -0.054 -0.073 43  SER AAA OG  
356  N  N   . LEU A 44  ? 0.288 0.487 0.294 0.238  -0.010 -0.033 44  LEU AAA N   
357  C  CA  . LEU A 44  ? 0.214 0.548 0.286 0.141  0.040  -0.025 44  LEU AAA CA  
358  C  C   . LEU A 44  ? 0.094 0.887 0.887 0.129  -0.018 0.008  44  LEU AAA C   
359  O  O   . LEU A 44  ? 0.216 0.821 0.438 0.160  -0.109 0.102  44  LEU AAA O   
360  C  CB  . LEU A 44  ? 0.087 0.467 0.254 -0.050 0.035  -0.054 44  LEU AAA CB  
361  C  CG  . LEU A 44  ? 0.095 0.333 0.248 -0.025 0.036  -0.054 44  LEU AAA CG  
362  C  CD1 . LEU A 44  ? 0.178 0.306 0.222 -0.025 0.027  -0.031 44  LEU AAA CD1 
363  C  CD2 . LEU A 44  ? 0.107 0.325 0.230 0.001  -0.020 0.002  44  LEU AAA CD2 
364  N  N   . LYS A 45  ? 0.295 0.944 1.179 0.104  0.307  0.086  45  LYS AAA N   
365  C  CA  . LYS A 45  ? 0.183 1.447 1.345 -0.297 0.234  0.376  45  LYS AAA CA  
366  C  C   . LYS A 45  ? 4.754 1.359 0.850 0.800  1.288  0.993  45  LYS AAA C   
367  O  O   . LYS A 45  ? 0.572 3.257 4.879 -1.082 -0.617 -1.045 45  LYS AAA O   
368  C  CB  . LYS A 45  ? 0.313 2.166 1.172 0.371  -0.366 0.676  45  LYS AAA CB  
369  C  CG  . LYS A 45  ? 1.076 2.025 0.769 0.718  -0.002 0.779  45  LYS AAA CG  
370  C  CD  . LYS A 45  ? 1.370 1.967 1.008 0.460  0.108  0.171  45  LYS AAA CD  
371  C  CE  . LYS A 45  ? 0.493 1.870 1.550 0.454  0.190  0.255  45  LYS AAA CE  
372  N  NZ  . LYS A 45  ? 0.429 1.487 1.524 0.001  0.317  0.468  45  LYS AAA NZ  
373  N  N   . PRO A 46  ? 7.663 0.514 3.197 -0.422 0.176  -0.335 46  PRO AAA N   
374  C  CA  . PRO A 46  ? 1.104 2.634 2.342 0.661  0.045  0.638  46  PRO AAA CA  
375  C  C   . PRO A 46  ? 1.901 2.440 3.703 0.094  1.295  -0.120 46  PRO AAA C   
376  O  O   . PRO A 46  ? 0.769 2.189 2.330 -1.187 0.334  -1.326 46  PRO AAA O   
377  C  CB  . PRO A 46  ? 0.871 3.378 1.801 0.268  -0.321 0.968  46  PRO AAA CB  
378  C  CG  . PRO A 46  ? 1.307 2.672 2.061 0.343  -0.276 0.668  46  PRO AAA CG  
379  C  CD  . PRO A 46  ? 2.096 2.092 4.020 -0.057 -2.307 0.137  46  PRO AAA CD  
380  N  N   . LEU A 47  ? 0.125 1.513 0.753 -0.236 -0.291 0.388  47  LEU AAA N   
381  C  CA  . LEU A 47  ? 0.143 0.380 0.209 -0.008 0.081  0.110  47  LEU AAA CA  
382  C  C   . LEU A 47  ? 0.128 0.195 0.401 -0.040 -0.052 0.079  47  LEU AAA C   
383  O  O   . LEU A 47  ? 0.062 0.298 0.577 -0.079 -0.029 0.110  47  LEU AAA O   
384  C  CB  . LEU A 47  ? 0.142 0.338 0.625 -0.078 0.089  0.044  47  LEU AAA CB  
385  C  CG  . LEU A 47  ? 0.075 0.338 0.450 -0.052 -0.028 -0.030 47  LEU AAA CG  
386  C  CD1 . LEU A 47  ? 0.038 0.350 0.389 -0.057 -0.022 0.009  47  LEU AAA CD1 
387  C  CD2 . LEU A 47  ? 0.056 0.294 0.526 -0.067 -0.076 -0.011 47  LEU AAA CD2 
388  N  N   . SER A 48  ? 0.008 0.214 0.322 -0.009 -0.025 0.030  48  SER AAA N   
389  C  CA  . SER A 48  ? 0.061 0.219 0.256 -0.011 -0.002 0.022  48  SER AAA CA  
390  C  C   . SER A 48  ? 0.038 0.214 0.255 -0.056 -0.004 -0.011 48  SER AAA C   
391  O  O   . SER A 48  ? 0.016 0.224 0.333 -0.045 0.014  -0.040 48  SER AAA O   
392  C  CB  . SER A 48  ? 0.047 0.212 0.333 0.029  0.020  0.017  48  SER AAA CB  
393  O  OG  . SER A 48  ? 0.114 0.241 0.381 0.020  -0.015 0.044  48  SER AAA OG  
394  N  N   . VAL A 49  ? 0.045 0.229 0.254 -0.070 -0.004 -0.008 49  VAL AAA N   
395  C  CA  . VAL A 49  ? 0.074 0.230 0.270 -0.073 0.012  0.001  49  VAL AAA CA  
396  C  C   . VAL A 49  ? 0.037 0.295 0.298 -0.056 -0.018 -0.007 49  VAL AAA C   
397  O  O   . VAL A 49  ? 0.134 0.484 0.336 -0.207 -0.062 0.051  49  VAL AAA O   
398  C  CB  . VAL A 49  ? 0.153 0.236 0.348 -0.100 0.065  -0.026 49  VAL AAA CB  
399  C  CG1 . VAL A 49  ? 0.188 0.261 0.396 -0.102 0.079  -0.043 49  VAL AAA CG1 
400  C  CG2 . VAL A 49  ? 0.121 0.236 0.445 -0.076 0.036  -0.017 49  VAL AAA CG2 
401  N  N   . SER A 50  ? 0.109 0.272 0.255 -0.058 -0.042 0.007  50  SER AAA N   
402  C  CA  . SER A 50  ? 0.042 0.311 0.350 -0.083 -0.064 -0.003 50  SER AAA CA  
403  C  C   . SER A 50  ? 0.057 0.296 0.303 0.011  -0.066 -0.035 50  SER AAA C   
404  O  O   . SER A 50  ? 0.065 0.291 0.353 -0.021 -0.022 -0.017 50  SER AAA O   
405  C  CB  . SER A 50  ? 0.155 0.358 0.362 0.037  -0.046 -0.045 50  SER AAA CB  
406  O  OG  . SER A 50  ? 0.315 0.582 0.564 0.076  0.145  -0.139 50  SER AAA OG  
407  N  N   . TYR A 51  ? 0.019 0.258 0.303 -0.001 -0.030 -0.006 51  TYR AAA N   
408  C  CA  . TYR A 51  ? 0.098 0.241 0.250 -0.054 -0.049 0.003  51  TYR AAA CA  
409  C  C   . TYR A 51  ? 0.078 0.269 0.288 0.031  -0.026 0.015  51  TYR AAA C   
410  O  O   . TYR A 51  ? 0.079 0.339 0.293 -0.002 -0.039 0.017  51  TYR AAA O   
411  C  CB  . TYR A 51  ? 0.083 0.250 0.329 -0.040 -0.082 -0.012 51  TYR AAA CB  
412  C  CG  . TYR A 51  ? 0.029 0.238 0.272 -0.052 -0.022 0.007  51  TYR AAA CG  
413  C  CD1 . TYR A 51  ? 0.014 0.215 0.283 -0.005 -0.027 -0.017 51  TYR AAA CD1 
414  C  CD2 . TYR A 51  ? 0.032 0.212 0.250 -0.046 0.001  -0.022 51  TYR AAA CD2 
415  C  CE1 . TYR A 51  ? 0.016 0.179 0.286 -0.040 -0.011 0.014  51  TYR AAA CE1 
416  C  CE2 . TYR A 51  ? 0.030 0.199 0.284 -0.053 -0.011 -0.009 51  TYR AAA CE2 
417  C  CZ  . TYR A 51  ? 0.010 0.188 0.302 -0.022 0.018  -0.003 51  TYR AAA CZ  
418  O  OH  . TYR A 51  ? 0.008 0.178 0.276 0.001  -0.019 -0.011 51  TYR AAA OH  
419  N  N   . ASP A 52  ? 0.032 0.377 0.327 -0.006 -0.009 0.061  52  ASP AAA N   
420  C  CA  A ASP A 52  ? 0.120 0.440 0.298 0.026  -0.027 0.061  52  ASP AAA CA  
421  C  CA  B ASP A 52  ? 0.052 0.346 0.371 0.073  -0.023 0.072  52  ASP AAA CA  
422  C  C   . ASP A 52  ? 0.085 0.337 0.346 0.028  -0.032 0.017  52  ASP AAA C   
423  O  O   . ASP A 52  ? 0.147 0.319 0.363 -0.046 -0.034 0.028  52  ASP AAA O   
424  C  CB  A ASP A 52  ? 0.117 0.535 0.375 0.047  0.003  0.078  52  ASP AAA CB  
425  C  CB  B ASP A 52  ? 0.008 0.399 0.475 0.001  0.024  0.093  52  ASP AAA CB  
426  C  CG  A ASP A 52  ? 0.336 0.600 0.389 -0.021 0.087  -0.001 52  ASP AAA CG  
427  C  CG  B ASP A 52  ? 0.113 0.422 0.448 0.014  0.002  0.048  52  ASP AAA CG  
428  O  OD1 A ASP A 52  ? 0.430 0.702 0.492 -0.015 -0.090 -0.107 52  ASP AAA OD1 
429  O  OD1 B ASP A 52  ? 0.094 0.505 0.495 0.053  -0.100 -0.040 52  ASP AAA OD1 
430  O  OD2 A ASP A 52  ? 0.272 0.851 0.607 -0.045 -0.093 0.073  52  ASP AAA OD2 
431  O  OD2 B ASP A 52  ? 0.078 0.518 0.513 0.045  -0.003 0.115  52  ASP AAA OD2 
432  N  N   . GLN A 53  ? 0.043 0.321 0.391 0.036  -0.021 0.005  53  GLN AAA N   
433  C  CA  A GLN A 53  ? 0.036 0.251 0.370 0.024  -0.082 0.033  53  GLN AAA CA  
434  C  C   . GLN A 53  ? 0.086 0.273 0.374 0.036  -0.008 -0.017 53  GLN AAA C   
435  O  O   . GLN A 53  ? 0.096 0.319 0.381 0.029  -0.019 -0.004 53  GLN AAA O   
436  C  CB  A GLN A 53  ? 0.093 0.291 0.347 0.049  -0.001 0.002  53  GLN AAA CB  
437  C  CG  A GLN A 53  ? 0.139 0.307 0.370 0.066  0.108  0.021  53  GLN AAA CG  
438  C  CD  A GLN A 53  ? 0.080 0.369 0.436 0.067  0.059  0.057  53  GLN AAA CD  
439  O  OE1 A GLN A 53  ? 0.240 0.348 0.407 0.089  0.011  0.076  53  GLN AAA OE1 
440  N  NE2 A GLN A 53  ? 0.251 0.238 0.429 0.003  0.086  0.110  53  GLN AAA NE2 
441  N  N   . ALA A 54  ? 0.037 0.251 0.327 -0.039 0.007  0.009  54  ALA AAA N   
442  C  CA  . ALA A 54  ? 0.033 0.231 0.305 -0.001 -0.042 -0.010 54  ALA AAA CA  
443  C  C   . ALA A 54  ? 0.043 0.283 0.291 -0.003 0.031  -0.023 54  ALA AAA C   
444  O  O   . ALA A 54  ? 0.104 0.521 0.341 -0.038 -0.029 -0.087 54  ALA AAA O   
445  C  CB  . ALA A 54  ? 0.051 0.232 0.348 -0.010 0.017  0.020  54  ALA AAA CB  
446  N  N   . THR A 55  ? 0.017 0.247 0.301 0.030  -0.008 0.027  55  THR AAA N   
447  C  CA  . THR A 55  ? 0.023 0.296 0.306 0.028  -0.020 0.048  55  THR AAA CA  
448  C  C   . THR A 55  ? 0.029 0.178 0.229 -0.008 -0.017 0.043  55  THR AAA C   
449  O  O   . THR A 55  ? 0.018 0.179 0.331 0.007  -0.018 0.037  55  THR AAA O   
450  C  CB  . THR A 55  ? 0.099 0.291 0.422 0.034  -0.039 0.100  55  THR AAA CB  
451  O  OG1 . THR A 55  ? 0.152 0.391 0.703 0.151  -0.085 -0.019 55  THR AAA OG1 
452  C  CG2 . THR A 55  ? 0.189 0.286 0.525 0.068  -0.040 0.168  55  THR AAA CG2 
453  N  N   . SER A 56  ? 0.010 0.177 0.258 0.002  -0.028 0.041  56  SER AAA N   
454  C  CA  . SER A 56  ? 0.009 0.178 0.280 -0.000 -0.024 0.045  56  SER AAA CA  
455  C  C   . SER A 56  ? 0.012 0.178 0.245 0.014  -0.031 0.029  56  SER AAA C   
456  O  O   . SER A 56  ? 0.033 0.223 0.270 0.024  -0.044 0.050  56  SER AAA O   
457  C  CB  . SER A 56  ? 0.083 0.189 0.232 -0.029 -0.032 0.043  56  SER AAA CB  
458  O  OG  . SER A 56  ? 0.054 0.218 0.245 -0.032 -0.033 0.026  56  SER AAA OG  
459  N  N   . LEU A 57  ? 0.019 0.178 0.258 0.035  -0.027 0.051  57  LEU AAA N   
460  C  CA  . LEU A 57  ? 0.052 0.166 0.265 0.050  -0.005 0.051  57  LEU AAA CA  
461  C  C   . LEU A 57  ? 0.022 0.169 0.217 0.028  -0.026 0.033  57  LEU AAA C   
462  O  O   . LEU A 57  ? 0.055 0.203 0.226 0.048  -0.050 0.039  57  LEU AAA O   
463  C  CB  . LEU A 57  ? 0.055 0.183 0.347 0.029  0.021  0.056  57  LEU AAA CB  
464  C  CG  . LEU A 57  ? 0.168 0.228 0.351 0.073  0.003  0.028  57  LEU AAA CG  
465  C  CD1 . LEU A 57  ? 0.234 0.228 0.373 -0.018 0.069  0.019  57  LEU AAA CD1 
466  C  CD2 . LEU A 57  ? 0.130 0.286 0.415 0.080  -0.025 0.007  57  LEU AAA CD2 
467  N  N   . ARG A 58  ? 0.024 0.165 0.200 0.032  -0.018 0.034  58  ARG AAA N   
468  C  CA  . ARG A 58  ? 0.036 0.145 0.213 0.022  -0.011 0.021  58  ARG AAA CA  
469  C  C   . ARG A 58  ? 0.007 0.150 0.198 0.003  -0.013 0.011  58  ARG AAA C   
470  O  O   . ARG A 58  ? 0.013 0.148 0.212 0.028  -0.008 0.003  58  ARG AAA O   
471  C  CB  . ARG A 58  ? 0.069 0.135 0.216 0.001  -0.025 0.033  58  ARG AAA CB  
472  C  CG  . ARG A 58  ? 0.090 0.181 0.267 -0.003 0.004  0.030  58  ARG AAA CG  
473  C  CD  . ARG A 58  ? 0.099 0.186 0.280 -0.013 -0.002 0.048  58  ARG AAA CD  
474  N  NE  . ARG A 58  ? 0.105 0.179 0.283 -0.036 0.009  0.030  58  ARG AAA NE  
475  C  CZ  . ARG A 58  ? 0.113 0.195 0.302 -0.058 -0.001 0.022  58  ARG AAA CZ  
476  N  NH1 . ARG A 58  ? 0.078 0.202 0.327 -0.040 -0.013 0.051  58  ARG AAA NH1 
477  N  NH2 . ARG A 58  ? 0.058 0.198 0.324 -0.033 0.061  0.038  58  ARG AAA NH2 
478  N  N   . ILE A 59  ? 0.042 0.129 0.172 -0.003 -0.006 0.009  59  ILE AAA N   
479  C  CA  . ILE A 59  ? 0.013 0.140 0.197 -0.005 -0.002 0.021  59  ILE AAA CA  
480  C  C   . ILE A 59  ? 0.011 0.134 0.184 0.010  -0.008 0.000  59  ILE AAA C   
481  O  O   . ILE A 59  ? 0.021 0.179 0.197 0.017  0.002  0.028  59  ILE AAA O   
482  C  CB  . ILE A 59  ? 0.009 0.147 0.208 -0.001 -0.025 0.017  59  ILE AAA CB  
483  C  CG1 . ILE A 59  ? 0.029 0.128 0.206 0.022  0.011  0.008  59  ILE AAA CG1 
484  C  CG2 . ILE A 59  ? 0.053 0.133 0.229 0.004  -0.024 0.018  59  ILE AAA CG2 
485  C  CD1 . ILE A 59  ? 0.083 0.130 0.226 0.005  -0.012 0.007  59  ILE AAA CD1 
486  N  N   . LEU A 60  ? 0.011 0.161 0.185 -0.001 -0.010 0.011  60  LEU AAA N   
487  C  CA  . LEU A 60  ? 0.011 0.131 0.206 0.024  -0.008 0.016  60  LEU AAA CA  
488  C  C   . LEU A 60  ? 0.021 0.101 0.203 0.008  0.009  0.003  60  LEU AAA C   
489  O  O   . LEU A 60  ? 0.017 0.155 0.195 0.014  0.012  0.019  60  LEU AAA O   
490  C  CB  . LEU A 60  ? 0.027 0.121 0.262 0.012  -0.012 0.035  60  LEU AAA CB  
491  C  CG  . LEU A 60  ? 0.027 0.161 0.253 0.009  -0.018 0.026  60  LEU AAA CG  
492  C  CD1 . LEU A 60  ? 0.058 0.172 0.274 -0.025 -0.014 0.041  60  LEU AAA CD1 
493  C  CD2 . LEU A 60  ? 0.060 0.147 0.312 0.005  -0.021 -0.001 60  LEU AAA CD2 
494  N  N   . ASN A 61  ? 0.011 0.126 0.181 0.006  0.010  0.001  61  ASN AAA N   
495  C  CA  . ASN A 61  ? 0.013 0.120 0.218 0.004  -0.003 0.008  61  ASN AAA CA  
496  C  C   . ASN A 61  ? 0.025 0.113 0.192 0.003  -0.009 0.025  61  ASN AAA C   
497  O  O   . ASN A 61  ? 0.036 0.146 0.209 0.007  0.005  0.034  61  ASN AAA O   
498  C  CB  . ASN A 61  ? 0.010 0.122 0.224 0.001  -0.002 0.003  61  ASN AAA CB  
499  C  CG  . ASN A 61  ? 0.037 0.104 0.200 -0.007 -0.011 0.018  61  ASN AAA CG  
500  O  OD1 . ASN A 61  ? 0.031 0.141 0.222 0.006  -0.018 -0.011 61  ASN AAA OD1 
501  N  ND2 . ASN A 61  ? 0.062 0.135 0.208 -0.011 0.005  -0.018 61  ASN AAA ND2 
502  N  N   . ASN A 62  ? 0.010 0.150 0.188 -0.017 -0.001 0.031  62  ASN AAA N   
503  C  CA  . ASN A 62  ? 0.020 0.165 0.204 -0.028 0.001  0.027  62  ASN AAA CA  
504  C  C   . ASN A 62  ? 0.013 0.175 0.221 -0.034 0.002  0.003  62  ASN AAA C   
505  O  O   . ASN A 62  ? 0.021 0.189 0.297 -0.031 -0.033 0.005  62  ASN AAA O   
506  C  CB  . ASN A 62  ? 0.015 0.143 0.221 0.001  -0.032 0.019  62  ASN AAA CB  
507  C  CG  . ASN A 62  ? 0.036 0.145 0.213 0.010  -0.027 0.020  62  ASN AAA CG  
508  O  OD1 . ASN A 62  ? 0.049 0.135 0.232 0.013  0.012  0.032  62  ASN AAA OD1 
509  N  ND2 . ASN A 62  ? 0.129 0.163 0.292 0.036  0.044  0.006  62  ASN AAA ND2 
510  N  N   . GLY A 63  ? 0.028 0.151 0.204 -0.004 -0.017 0.010  63  GLY AAA N   
511  C  CA  . GLY A 63  ? 0.008 0.167 0.256 -0.014 0.012  0.017  63  GLY AAA CA  
512  C  C   . GLY A 63  ? 0.007 0.133 0.246 -0.010 -0.004 0.017  63  GLY AAA C   
513  O  O   . GLY A 63  ? 0.028 0.162 0.257 0.019  0.000  0.021  63  GLY AAA O   
514  N  N   . HIS A 64  ? 0.008 0.159 0.222 -0.009 -0.015 0.024  64  HIS AAA N   
515  C  CA  . HIS A 64  ? 0.010 0.200 0.233 -0.013 -0.010 0.027  64  HIS AAA CA  
516  C  C   . HIS A 64  ? 0.010 0.150 0.251 0.010  -0.027 0.030  64  HIS AAA C   
517  O  O   . HIS A 64  ? 0.023 0.201 0.443 -0.008 -0.037 0.150  64  HIS AAA O   
518  C  CB  . HIS A 64  ? 0.082 0.257 0.188 -0.059 -0.012 0.008  64  HIS AAA CB  
519  C  CG  . HIS A 64  ? 0.118 0.309 0.281 -0.097 -0.016 0.031  64  HIS AAA CG  
520  N  ND1 . HIS A 64  ? 0.071 0.464 0.302 -0.087 -0.008 -0.038 64  HIS AAA ND1 
521  C  CD2 . HIS A 64  ? 0.223 0.290 0.286 -0.081 -0.053 0.028  64  HIS AAA CD2 
522  C  CE1 . HIS A 64  ? 0.132 0.549 0.299 -0.178 0.057  -0.050 64  HIS AAA CE1 
523  N  NE2 . HIS A 64  ? 0.252 0.504 0.394 -0.264 0.008  0.002  64  HIS AAA NE2 
524  N  N   . ALA A 65  ? 0.009 0.121 0.227 0.009  -0.020 0.034  65  ALA AAA N   
525  C  CA  . ALA A 65  ? 0.008 0.126 0.206 -0.000 -0.019 0.023  65  ALA AAA CA  
526  C  C   . ALA A 65  ? 0.007 0.112 0.200 0.009  -0.006 0.014  65  ALA AAA C   
527  O  O   . ALA A 65  ? 0.007 0.160 0.225 -0.008 -0.004 0.037  65  ALA AAA O   
528  C  CB  . ALA A 65  ? 0.013 0.148 0.212 0.010  -0.023 0.016  65  ALA AAA CB  
529  N  N   . PHE A 66  ? 0.011 0.111 0.238 0.022  0.001  0.011  66  PHE AAA N   
530  C  CA  . PHE A 66  ? 0.024 0.129 0.201 0.029  0.007  0.014  66  PHE AAA CA  
531  C  C   . PHE A 66  ? 0.031 0.119 0.170 0.030  0.001  0.021  66  PHE AAA C   
532  O  O   . PHE A 66  ? 0.048 0.117 0.185 0.016  0.006  0.024  66  PHE AAA O   
533  C  CB  . PHE A 66  ? 0.036 0.154 0.214 0.032  -0.012 0.012  66  PHE AAA CB  
534  C  CG  . PHE A 66  ? 0.037 0.152 0.199 0.016  -0.028 0.001  66  PHE AAA CG  
535  C  CD1 . PHE A 66  ? 0.041 0.154 0.203 0.025  -0.036 0.005  66  PHE AAA CD1 
536  C  CD2 . PHE A 66  ? 0.098 0.151 0.228 0.008  -0.013 0.006  66  PHE AAA CD2 
537  C  CE1 . PHE A 66  ? 0.048 0.193 0.209 -0.012 -0.050 0.011  66  PHE AAA CE1 
538  C  CE2 . PHE A 66  ? 0.081 0.139 0.232 -0.003 -0.042 0.015  66  PHE AAA CE2 
539  C  CZ  . PHE A 66  ? 0.068 0.190 0.234 -0.001 -0.054 0.012  66  PHE AAA CZ  
540  N  N   . ASN A 67  ? 0.008 0.118 0.202 0.012  0.004  0.019  67  ASN AAA N   
541  C  CA  . ASN A 67  ? 0.021 0.117 0.185 0.020  -0.001 0.019  67  ASN AAA CA  
542  C  C   . ASN A 67  ? 0.007 0.115 0.218 0.005  0.004  0.032  67  ASN AAA C   
543  O  O   . ASN A 67  ? 0.007 0.162 0.201 0.001  -0.006 0.033  67  ASN AAA O   
544  C  CB  . ASN A 67  ? 0.009 0.137 0.240 0.015  -0.010 0.002  67  ASN AAA CB  
545  C  CG  . ASN A 67  ? 0.020 0.186 0.218 -0.001 -0.019 0.029  67  ASN AAA CG  
546  O  OD1 . ASN A 67  ? 0.029 0.221 0.252 -0.017 -0.041 0.054  67  ASN AAA OD1 
547  N  ND2 . ASN A 67  ? 0.057 0.208 0.395 -0.007 -0.079 -0.005 67  ASN AAA ND2 
548  N  N   . VAL A 68  ? 0.006 0.115 0.200 0.001  -0.005 0.028  68  VAL AAA N   
549  C  CA  . VAL A 68  ? 0.011 0.127 0.200 0.014  -0.019 0.021  68  VAL AAA CA  
550  C  C   . VAL A 68  ? 0.014 0.148 0.217 0.026  -0.021 0.020  68  VAL AAA C   
551  O  O   . VAL A 68  ? 0.020 0.123 0.205 0.024  -0.018 0.012  68  VAL AAA O   
552  C  CB  . VAL A 68  ? 0.008 0.151 0.223 0.013  -0.004 0.022  68  VAL AAA CB  
553  C  CG1 . VAL A 68  ? 0.010 0.158 0.257 -0.006 -0.030 0.011  68  VAL AAA CG1 
554  C  CG2 . VAL A 68  ? 0.024 0.169 0.231 -0.004 -0.001 0.011  68  VAL AAA CG2 
555  N  N   . GLU A 69  ? 0.010 0.138 0.221 0.011  -0.022 0.033  69  GLU AAA N   
556  C  CA  . GLU A 69  ? 0.027 0.137 0.196 0.011  -0.025 0.027  69  GLU AAA CA  
557  C  C   . GLU A 69  ? 0.028 0.123 0.188 0.010  -0.020 0.025  69  GLU AAA C   
558  O  O   . GLU A 69  ? 0.037 0.145 0.224 0.039  -0.027 0.002  69  GLU AAA O   
559  C  CB  . GLU A 69  ? 0.032 0.139 0.251 0.001  0.004  0.023  69  GLU AAA CB  
560  C  CG  . GLU A 69  ? 0.028 0.164 0.285 0.006  0.016  0.020  69  GLU AAA CG  
561  C  CD  . GLU A 69  ? 0.089 0.182 0.298 0.029  0.035  0.036  69  GLU AAA CD  
562  O  OE1 . GLU A 69  ? 0.119 0.212 0.281 0.006  0.025  0.043  69  GLU AAA OE1 
563  O  OE2 . GLU A 69  ? 0.067 0.214 0.470 0.026  0.079  0.042  69  GLU AAA OE2 
564  N  N   . PHE A 70  ? 0.014 0.141 0.214 0.028  -0.015 0.012  70  PHE AAA N   
565  C  CA  . PHE A 70  ? 0.012 0.125 0.248 0.019  -0.022 0.024  70  PHE AAA CA  
566  C  C   . PHE A 70  ? 0.025 0.130 0.276 0.033  0.005  0.012  70  PHE AAA C   
567  O  O   . PHE A 70  ? 0.052 0.137 0.303 0.011  -0.017 0.020  70  PHE AAA O   
568  C  CB  . PHE A 70  ? 0.035 0.116 0.234 0.029  -0.004 0.009  70  PHE AAA CB  
569  C  CG  . PHE A 70  ? 0.009 0.123 0.244 0.018  0.001  0.022  70  PHE AAA CG  
570  C  CD1 . PHE A 70  ? 0.031 0.122 0.225 0.025  0.005  0.036  70  PHE AAA CD1 
571  C  CD2 . PHE A 70  ? 0.022 0.129 0.243 0.006  -0.023 0.018  70  PHE AAA CD2 
572  C  CE1 . PHE A 70  ? 0.028 0.129 0.247 0.025  0.028  0.030  70  PHE AAA CE1 
573  C  CE2 . PHE A 70  ? 0.008 0.142 0.241 -0.014 -0.007 0.005  70  PHE AAA CE2 
574  C  CZ  . PHE A 70  ? 0.035 0.137 0.283 0.001  0.024  0.022  70  PHE AAA CZ  
575  N  N   . ASP A 71  ? 0.023 0.157 0.357 0.032  -0.009 0.039  71  ASP AAA N   
576  C  CA  . ASP A 71  ? 0.044 0.140 0.364 0.009  0.003  0.065  71  ASP AAA CA  
577  C  C   . ASP A 71  ? 0.102 0.122 0.397 -0.005 0.013  0.029  71  ASP AAA C   
578  O  O   . ASP A 71  ? 0.091 0.231 0.452 -0.006 0.041  0.007  71  ASP AAA O   
579  C  CB  . ASP A 71  ? 0.142 0.183 0.402 0.034  -0.064 0.077  71  ASP AAA CB  
580  C  CG  . ASP A 71  ? 0.174 0.185 0.436 0.022  -0.083 0.082  71  ASP AAA CG  
581  O  OD1 . ASP A 71  ? 0.193 0.196 0.503 0.026  -0.041 0.054  71  ASP AAA OD1 
582  O  OD2 . ASP A 71  ? 0.203 0.286 0.669 0.054  -0.142 0.090  71  ASP AAA OD2 
583  N  N   . ASP A 72  ? 0.087 0.176 0.398 0.029  -0.021 0.045  72  ASP AAA N   
584  C  CA  . ASP A 72  ? 0.075 0.165 0.350 -0.017 0.013  0.051  72  ASP AAA CA  
585  C  C   . ASP A 72  ? 0.207 0.164 0.402 0.024  -0.029 0.016  72  ASP AAA C   
586  O  O   . ASP A 72  ? 0.224 0.166 0.459 0.021  -0.077 0.026  72  ASP AAA O   
587  C  CB  . ASP A 72  ? 0.130 0.177 0.415 0.034  0.007  0.066  72  ASP AAA CB  
588  C  CG  . ASP A 72  ? 0.113 0.251 0.358 0.041  0.007  0.075  72  ASP AAA CG  
589  O  OD1 . ASP A 72  ? 0.115 0.456 0.425 -0.067 -0.062 0.196  72  ASP AAA OD1 
590  O  OD2 . ASP A 72  ? 0.162 0.276 0.311 0.040  -0.038 0.021  72  ASP AAA OD2 
591  N  N   . SER A 73  ? 0.211 0.172 0.446 -0.032 -0.051 0.035  73  SER AAA N   
592  C  CA  . SER A 73  ? 0.200 0.176 0.489 -0.044 -0.109 0.027  73  SER AAA CA  
593  C  C   . SER A 73  ? 0.302 0.196 0.542 0.002  -0.024 0.011  73  SER AAA C   
594  O  O   . SER A 73  ? 0.443 0.203 0.616 0.012  -0.211 -0.033 73  SER AAA O   
595  C  CB  . SER A 73  ? 0.332 0.229 0.541 0.025  -0.103 0.121  73  SER AAA CB  
596  O  OG  . SER A 73  ? 0.278 0.238 0.529 0.087  -0.078 0.080  73  SER AAA OG  
597  N  N   . GLN A 74  ? 0.258 0.210 0.467 0.036  -0.001 0.057  74  GLN AAA N   
598  C  CA  . GLN A 74  ? 0.355 0.334 0.360 0.131  -0.013 0.007  74  GLN AAA CA  
599  C  C   . GLN A 74  ? 0.189 0.225 0.467 0.079  -0.102 -0.024 74  GLN AAA C   
600  O  O   . GLN A 74  ? 0.113 0.224 0.467 0.058  -0.034 -0.018 74  GLN AAA O   
601  C  CB  . GLN A 74  ? 0.273 0.435 0.506 0.195  0.031  0.110  74  GLN AAA CB  
602  C  CG  . GLN A 74  ? 0.345 0.556 0.540 0.016  -0.072 0.141  74  GLN AAA CG  
603  C  CD  . GLN A 74  ? 0.273 0.627 0.490 0.059  0.005  0.123  74  GLN AAA CD  
604  O  OE1 . GLN A 74  ? 0.432 0.624 0.489 0.032  -0.048 0.164  74  GLN AAA OE1 
605  N  NE2 . GLN A 74  ? 0.200 0.519 0.651 0.027  0.096  0.148  74  GLN AAA NE2 
606  N  N   . ASP A 75  ? 0.370 0.374 0.406 0.083  -0.081 -0.114 75  ASP AAA N   
607  C  CA  . ASP A 75  ? 0.281 0.307 0.545 0.123  -0.148 -0.072 75  ASP AAA CA  
608  C  C   . ASP A 75  ? 0.309 0.345 0.639 0.140  -0.217 -0.114 75  ASP AAA C   
609  O  O   . ASP A 75  ? 0.376 0.450 1.015 0.189  -0.258 -0.020 75  ASP AAA O   
610  C  CB  . ASP A 75  ? 0.247 0.313 0.570 0.080  -0.123 -0.103 75  ASP AAA CB  
611  C  CG  . ASP A 75  ? 0.266 0.277 0.434 0.064  -0.073 -0.020 75  ASP AAA CG  
612  O  OD1 . ASP A 75  ? 0.230 0.634 0.600 0.086  -0.120 0.026  75  ASP AAA OD1 
613  O  OD2 . ASP A 75  ? 0.421 0.471 0.471 -0.077 0.057  -0.091 75  ASP AAA OD2 
614  N  N   . LYS A 76  ? 0.181 0.267 0.499 0.046  -0.174 0.015  76  LYS AAA N   
615  C  CA  . LYS A 76  ? 0.145 0.297 0.584 -0.040 -0.147 0.056  76  LYS AAA CA  
616  C  C   . LYS A 76  ? 0.164 0.235 0.614 0.048  -0.087 0.035  76  LYS AAA C   
617  O  O   . LYS A 76  ? 0.280 0.478 0.933 -0.105 0.039  0.142  76  LYS AAA O   
618  C  CB  . LYS A 76  ? 0.312 0.203 0.576 0.060  -0.193 0.075  76  LYS AAA CB  
619  C  CG  . LYS A 76  ? 0.475 0.252 0.552 -0.036 -0.108 0.107  76  LYS AAA CG  
620  C  CD  . LYS A 76  ? 0.444 0.508 0.493 -0.037 -0.116 0.135  76  LYS AAA CD  
621  C  CE  . LYS A 76  ? 0.453 0.537 0.502 0.011  -0.042 0.157  76  LYS AAA CE  
622  N  NZ  . LYS A 76  ? 0.548 0.615 0.523 0.084  -0.145 0.163  76  LYS AAA NZ  
623  N  N   . ALA A 77  ? 0.084 0.233 0.386 -0.019 -0.053 0.047  77  ALA AAA N   
624  C  CA  . ALA A 77  ? 0.040 0.240 0.324 -0.019 -0.034 0.034  77  ALA AAA CA  
625  C  C   . ALA A 77  ? 0.031 0.196 0.296 -0.025 -0.032 0.029  77  ALA AAA C   
626  O  O   . ALA A 77  ? 0.019 0.245 0.360 -0.008 -0.021 0.013  77  ALA AAA O   
627  C  CB  . ALA A 77  ? 0.158 0.325 0.287 0.057  -0.069 0.016  77  ALA AAA CB  
628  N  N   . VAL A 78  ? 0.021 0.166 0.307 0.007  -0.028 0.026  78  VAL AAA N   
629  C  CA  . VAL A 78  ? 0.046 0.168 0.291 0.013  -0.019 0.015  78  VAL AAA CA  
630  C  C   . VAL A 78  ? 0.031 0.156 0.282 -0.027 -0.026 0.003  78  VAL AAA C   
631  O  O   . VAL A 78  ? 0.055 0.195 0.336 -0.054 -0.077 0.028  78  VAL AAA O   
632  C  CB  . VAL A 78  ? 0.099 0.181 0.442 0.035  -0.059 -0.010 78  VAL AAA CB  
633  C  CG1 . VAL A 78  ? 0.122 0.175 0.457 0.060  -0.089 0.005  78  VAL AAA CG1 
634  C  CG2 . VAL A 78  ? 0.131 0.243 0.421 0.034  -0.005 0.013  78  VAL AAA CG2 
635  N  N   . LEU A 79  ? 0.018 0.144 0.286 0.012  -0.018 -0.003 79  LEU AAA N   
636  C  CA  . LEU A 79  ? 0.009 0.174 0.287 -0.012 -0.026 0.011  79  LEU AAA CA  
637  C  C   . LEU A 79  ? 0.029 0.145 0.277 -0.007 0.017  0.020  79  LEU AAA C   
638  O  O   . LEU A 79  ? 0.027 0.173 0.305 -0.022 0.002  -0.016 79  LEU AAA O   
639  C  CB  . LEU A 79  ? 0.008 0.181 0.275 -0.005 -0.023 0.016  79  LEU AAA CB  
640  C  CG  . LEU A 79  ? 0.031 0.176 0.280 0.009  -0.009 0.007  79  LEU AAA CG  
641  C  CD1 . LEU A 79  ? 0.073 0.162 0.326 -0.006 0.007  0.029  79  LEU AAA CD1 
642  C  CD2 . LEU A 79  ? 0.024 0.198 0.223 0.008  0.011  -0.011 79  LEU AAA CD2 
643  N  N   . LYS A 80  ? 0.012 0.161 0.256 -0.027 -0.011 0.003  80  LYS AAA N   
644  C  CA  . LYS A 80  ? 0.043 0.178 0.279 -0.030 0.002  -0.028 80  LYS AAA CA  
645  C  C   . LYS A 80  ? 0.014 0.184 0.289 -0.010 0.021  -0.009 80  LYS AAA C   
646  O  O   . LYS A 80  ? 0.031 0.179 0.298 -0.015 -0.006 0.003  80  LYS AAA O   
647  C  CB  . LYS A 80  ? 0.158 0.187 0.330 0.030  0.036  -0.020 80  LYS AAA CB  
648  C  CG  . LYS A 80  ? 0.124 0.299 0.426 0.015  0.092  0.022  80  LYS AAA CG  
649  C  CD  . LYS A 80  ? 0.214 0.333 0.504 0.080  -0.025 0.001  80  LYS AAA CD  
650  C  CE  . LYS A 80  ? 0.474 0.501 0.520 0.017  0.047  0.020  80  LYS AAA CE  
651  N  NZ  . LYS A 80  ? 0.739 0.504 0.718 -0.067 0.149  -0.008 80  LYS AAA NZ  
652  N  N   . GLY A 81  ? 0.067 0.170 0.310 0.016  0.034  -0.007 81  GLY AAA N   
653  C  CA  . GLY A 81  ? 0.062 0.182 0.297 0.020  0.024  0.011  81  GLY AAA CA  
654  C  C   . GLY A 81  ? 0.044 0.161 0.321 0.002  0.041  0.018  81  GLY AAA C   
655  O  O   . GLY A 81  ? 0.042 0.190 0.289 -0.024 0.027  -0.022 81  GLY AAA O   
656  N  N   . GLY A 82  ? 0.010 0.210 0.436 -0.012 0.031  0.070  82  GLY AAA N   
657  C  CA  . GLY A 82  ? 0.139 0.198 0.417 0.046  0.042  0.055  82  GLY AAA CA  
658  C  C   . GLY A 82  ? 0.083 0.182 0.361 0.060  0.059  0.024  82  GLY AAA C   
659  O  O   . GLY A 82  ? 0.131 0.280 0.340 0.072  0.073  -0.007 82  GLY AAA O   
660  N  N   . PRO A 83  ? 0.085 0.170 0.322 0.064  0.049  0.013  83  PRO AAA N   
661  C  CA  . PRO A 83  ? 0.122 0.193 0.263 0.038  0.053  0.006  83  PRO AAA CA  
662  C  C   . PRO A 83  ? 0.060 0.159 0.283 0.034  0.004  -0.010 83  PRO AAA C   
663  O  O   . PRO A 83  ? 0.165 0.241 0.313 -0.017 -0.039 0.001  83  PRO AAA O   
664  C  CB  . PRO A 83  ? 0.072 0.204 0.287 0.025  0.005  0.024  83  PRO AAA CB  
665  C  CG  . PRO A 83  ? 0.053 0.182 0.280 0.027  0.015  0.010  83  PRO AAA CG  
666  C  CD  . PRO A 83  ? 0.057 0.161 0.277 0.013  0.024  0.000  83  PRO AAA CD  
667  N  N   . LEU A 84  ? 0.075 0.152 0.268 0.040  0.007  0.000  84  LEU AAA N   
668  C  CA  . LEU A 84  ? 0.042 0.151 0.275 0.021  0.001  -0.018 84  LEU AAA CA  
669  C  C   . LEU A 84  ? 0.075 0.163 0.300 0.006  0.029  -0.046 84  LEU AAA C   
670  O  O   . LEU A 84  ? 0.078 0.197 0.365 0.044  0.032  -0.060 84  LEU AAA O   
671  C  CB  . LEU A 84  ? 0.015 0.134 0.279 0.020  0.013  -0.002 84  LEU AAA CB  
672  C  CG  . LEU A 84  ? 0.010 0.121 0.275 0.019  -0.016 -0.004 84  LEU AAA CG  
673  C  CD1 . LEU A 84  ? 0.058 0.141 0.303 0.044  -0.007 -0.001 84  LEU AAA CD1 
674  C  CD2 . LEU A 84  ? 0.007 0.159 0.281 -0.006 0.006  -0.028 84  LEU AAA CD2 
675  N  N   . ASP A 85  ? 0.116 0.166 0.299 -0.002 0.038  -0.043 85  ASP AAA N   
676  C  CA  A ASP A 85  ? 0.194 0.180 0.406 -0.000 0.084  -0.066 85  ASP AAA CA  
677  C  C   . ASP A 85  ? 0.252 0.108 0.441 -0.010 0.092  -0.038 85  ASP AAA C   
678  O  O   . ASP A 85  ? 0.291 0.287 0.466 0.059  0.156  -0.044 85  ASP AAA O   
679  C  CB  A ASP A 85  ? 0.430 0.184 0.473 0.052  -0.032 -0.125 85  ASP AAA CB  
680  C  CG  A ASP A 85  ? 0.768 0.570 0.501 0.089  -0.042 -0.154 85  ASP AAA CG  
681  O  OD1 A ASP A 85  ? 0.830 0.655 0.804 -0.124 -0.286 -0.368 85  ASP AAA OD1 
682  O  OD2 A ASP A 85  ? 0.812 0.692 1.528 -0.156 -0.364 -0.234 85  ASP AAA OD2 
683  N  N   . GLY A 86  ? 0.187 0.268 0.359 -0.088 0.059  -0.053 86  GLY AAA N   
684  C  CA  . GLY A 86  ? 0.210 0.202 0.387 -0.046 0.052  -0.073 86  GLY AAA CA  
685  C  C   . GLY A 86  ? 0.156 0.162 0.310 0.001  0.032  -0.036 86  GLY AAA C   
686  O  O   . GLY A 86  ? 0.309 0.197 0.326 -0.076 0.053  -0.043 86  GLY AAA O   
687  N  N   . THR A 87  ? 0.080 0.192 0.314 0.003  0.046  -0.043 87  THR AAA N   
688  C  CA  . THR A 87  ? 0.094 0.198 0.280 0.007  0.047  -0.026 87  THR AAA CA  
689  C  C   . THR A 87  ? 0.038 0.129 0.302 -0.004 0.009  -0.053 87  THR AAA C   
690  O  O   . THR A 87  ? 0.053 0.113 0.329 -0.000 -0.002 -0.037 87  THR AAA O   
691  C  CB  . THR A 87  ? 0.085 0.281 0.408 0.126  -0.032 -0.056 87  THR AAA CB  
692  O  OG1 . THR A 87  ? 0.129 0.468 0.420 0.143  0.004  -0.095 87  THR AAA OG1 
693  C  CG2 . THR A 87  ? 0.139 0.278 0.391 0.131  -0.019 -0.056 87  THR AAA CG2 
694  N  N   . TYR A 88  ? 0.006 0.114 0.282 -0.004 0.003  -0.031 88  TYR AAA N   
695  C  CA  . TYR A 88  ? 0.006 0.091 0.291 0.002  -0.000 -0.013 88  TYR AAA CA  
696  C  C   . TYR A 88  ? 0.008 0.123 0.271 0.014  -0.009 -0.008 88  TYR AAA C   
697  O  O   . TYR A 88  ? 0.038 0.182 0.291 -0.036 -0.014 -0.005 88  TYR AAA O   
698  C  CB  . TYR A 88  ? 0.032 0.094 0.242 0.017  0.004  -0.026 88  TYR AAA CB  
699  C  CG  . TYR A 88  ? 0.029 0.084 0.238 0.019  -0.003 -0.026 88  TYR AAA CG  
700  C  CD1 . TYR A 88  ? 0.017 0.141 0.246 0.007  -0.002 -0.031 88  TYR AAA CD1 
701  C  CD2 . TYR A 88  ? 0.035 0.099 0.214 0.039  0.003  -0.004 88  TYR AAA CD2 
702  C  CE1 . TYR A 88  ? 0.033 0.150 0.222 0.006  0.017  -0.037 88  TYR AAA CE1 
703  C  CE2 . TYR A 88  ? 0.021 0.124 0.213 0.009  0.001  0.000  88  TYR AAA CE2 
704  C  CZ  . TYR A 88  ? 0.036 0.104 0.205 0.006  -0.004 -0.015 88  TYR AAA CZ  
705  O  OH  . TYR A 88  ? 0.040 0.141 0.225 0.020  -0.010 -0.011 88  TYR AAA OH  
706  N  N   . ARG A 89  ? 0.007 0.099 0.255 0.005  -0.010 -0.019 89  ARG AAA N   
707  C  CA  . ARG A 89  ? 0.010 0.105 0.279 0.018  -0.009 -0.005 89  ARG AAA CA  
708  C  C   . ARG A 89  ? 0.017 0.117 0.225 0.033  -0.012 0.006  89  ARG AAA C   
709  O  O   . ARG A 89  ? 0.009 0.109 0.235 0.017  0.001  0.002  89  ARG AAA O   
710  C  CB  . ARG A 89  ? 0.054 0.151 0.306 0.012  -0.024 0.033  89  ARG AAA CB  
711  C  CG  . ARG A 89  ? 0.145 0.227 0.393 0.070  -0.014 0.035  89  ARG AAA CG  
712  C  CD  . ARG A 89  ? 0.114 0.191 0.498 0.007  -0.070 0.139  89  ARG AAA CD  
713  N  NE  . ARG A 89  ? 0.209 0.287 0.379 0.067  -0.064 0.079  89  ARG AAA NE  
714  C  CZ  . ARG A 89  ? 0.341 0.228 0.485 0.084  -0.105 0.083  89  ARG AAA CZ  
715  N  NH1 . ARG A 89  ? 0.439 0.187 0.422 0.091  -0.040 0.040  89  ARG AAA NH1 
716  N  NH2 . ARG A 89  ? 0.431 0.319 0.529 0.094  -0.160 -0.041 89  ARG AAA NH2 
717  N  N   . LEU A 90  ? 0.020 0.114 0.227 0.012  -0.010 -0.002 90  LEU AAA N   
718  C  CA  . LEU A 90  ? 0.016 0.116 0.218 0.012  -0.026 0.006  90  LEU AAA CA  
719  C  C   . LEU A 90  ? 0.014 0.092 0.236 0.016  -0.016 0.019  90  LEU AAA C   
720  O  O   . LEU A 90  ? 0.043 0.145 0.255 0.016  -0.023 0.039  90  LEU AAA O   
721  C  CB  . LEU A 90  ? 0.020 0.129 0.240 -0.014 -0.007 0.015  90  LEU AAA CB  
722  C  CG  . LEU A 90  ? 0.045 0.144 0.240 0.000  -0.009 -0.001 90  LEU AAA CG  
723  C  CD1 . LEU A 90  ? 0.067 0.122 0.230 -0.010 -0.016 -0.003 90  LEU AAA CD1 
724  C  CD2 . LEU A 90  ? 0.027 0.163 0.256 -0.002 -0.014 0.011  90  LEU AAA CD2 
725  N  N   . ILE A 91  ? 0.026 0.089 0.214 0.030  -0.015 0.010  91  ILE AAA N   
726  C  CA  . ILE A 91  ? 0.070 0.090 0.201 0.003  -0.007 0.011  91  ILE AAA CA  
727  C  C   . ILE A 91  ? 0.012 0.085 0.210 0.009  -0.018 0.019  91  ILE AAA C   
728  O  O   . ILE A 91  ? 0.033 0.090 0.218 0.021  -0.013 0.025  91  ILE AAA O   
729  C  CB  . ILE A 91  ? 0.074 0.099 0.248 -0.018 -0.006 -0.002 91  ILE AAA CB  
730  C  CG1 . ILE A 91  ? 0.112 0.177 0.257 -0.080 -0.005 0.006  91  ILE AAA CG1 
731  C  CG2 . ILE A 91  ? 0.031 0.126 0.267 -0.006 -0.006 0.005  91  ILE AAA CG2 
732  C  CD1 . ILE A 91  ? 0.156 0.256 0.297 -0.139 0.020  -0.021 91  ILE AAA CD1 
733  N  N   . GLN A 92  ? 0.009 0.083 0.210 0.012  -0.012 0.015  92  GLN AAA N   
734  C  CA  . GLN A 92  ? 0.007 0.092 0.207 0.002  -0.011 0.008  92  GLN AAA CA  
735  C  C   . GLN A 92  ? 0.009 0.092 0.193 0.016  -0.001 -0.001 92  GLN AAA C   
736  O  O   . GLN A 92  ? 0.016 0.094 0.188 0.018  -0.009 0.005  92  GLN AAA O   
737  C  CB  . GLN A 92  ? 0.007 0.111 0.240 0.009  -0.003 0.011  92  GLN AAA CB  
738  C  CG  . GLN A 92  ? 0.025 0.109 0.242 0.005  -0.021 0.008  92  GLN AAA CG  
739  C  CD  . GLN A 92  ? 0.008 0.104 0.206 -0.005 0.001  0.012  92  GLN AAA CD  
740  O  OE1 . GLN A 92  ? 0.025 0.112 0.249 -0.000 -0.038 0.011  92  GLN AAA OE1 
741  N  NE2 . GLN A 92  ? 0.008 0.160 0.296 0.005  -0.019 0.024  92  GLN AAA NE2 
742  N  N   . PHE A 93  ? 0.009 0.094 0.194 0.009  -0.018 -0.001 93  PHE AAA N   
743  C  CA  . PHE A 93  ? 0.008 0.085 0.195 -0.005 -0.013 -0.007 93  PHE AAA CA  
744  C  C   . PHE A 93  ? 0.009 0.080 0.173 -0.007 -0.017 0.009  93  PHE AAA C   
745  O  O   . PHE A 93  ? 0.008 0.106 0.193 0.001  -0.017 0.013  93  PHE AAA O   
746  C  CB  . PHE A 93  ? 0.006 0.098 0.196 0.003  -0.001 -0.001 93  PHE AAA CB  
747  C  CG  . PHE A 93  ? 0.008 0.097 0.206 -0.008 -0.013 0.003  93  PHE AAA CG  
748  C  CD1 . PHE A 93  ? 0.008 0.112 0.196 0.005  -0.015 0.004  93  PHE AAA CD1 
749  C  CD2 . PHE A 93  ? 0.010 0.140 0.196 0.011  -0.014 0.020  93  PHE AAA CD2 
750  C  CE1 . PHE A 93  ? 0.008 0.104 0.199 0.004  -0.016 -0.006 93  PHE AAA CE1 
751  C  CE2 . PHE A 93  ? 0.023 0.118 0.210 0.019  -0.028 0.020  93  PHE AAA CE2 
752  C  CZ  . PHE A 93  ? 0.011 0.130 0.203 0.003  -0.028 0.011  93  PHE AAA CZ  
753  N  N   . HIS A 94  ? 0.009 0.081 0.178 0.002  -0.012 0.011  94  HIS AAA N   
754  C  CA  . HIS A 94  ? 0.008 0.095 0.204 0.002  -0.016 0.003  94  HIS AAA CA  
755  C  C   . HIS A 94  ? 0.009 0.085 0.170 0.009  -0.017 -0.015 94  HIS AAA C   
756  O  O   . HIS A 94  ? 0.020 0.089 0.173 0.021  -0.004 0.005  94  HIS AAA O   
757  C  CB  . HIS A 94  ? 0.007 0.089 0.197 0.004  -0.004 -0.012 94  HIS AAA CB  
758  C  CG  . HIS A 94  ? 0.007 0.095 0.184 0.001  -0.008 -0.012 94  HIS AAA CG  
759  N  ND1 . HIS A 94  ? 0.009 0.094 0.173 -0.013 -0.009 -0.016 94  HIS AAA ND1 
760  C  CD2 . HIS A 94  ? 0.007 0.108 0.204 0.005  -0.004 -0.000 94  HIS AAA CD2 
761  C  CE1 . HIS A 94  ? 0.012 0.063 0.177 -0.019 -0.001 -0.008 94  HIS AAA CE1 
762  N  NE2 . HIS A 94  ? 0.018 0.100 0.176 0.010  -0.041 0.012  94  HIS AAA NE2 
763  N  N   . PHE A 95  ? 0.007 0.073 0.192 0.006  -0.001 -0.010 95  PHE AAA N   
764  C  CA  . PHE A 95  ? 0.006 0.083 0.170 -0.003 0.001  0.005  95  PHE AAA CA  
765  C  C   . PHE A 95  ? 0.006 0.090 0.184 0.003  -0.002 0.005  95  PHE AAA C   
766  O  O   . PHE A 95  ? 0.007 0.096 0.199 0.004  -0.002 0.022  95  PHE AAA O   
767  C  CB  . PHE A 95  ? 0.007 0.071 0.181 0.007  -0.004 0.005  95  PHE AAA CB  
768  C  CG  . PHE A 95  ? 0.007 0.113 0.184 0.003  -0.013 -0.007 95  PHE AAA CG  
769  C  CD1 . PHE A 95  ? 0.010 0.120 0.187 -0.005 -0.023 0.004  95  PHE AAA CD1 
770  C  CD2 . PHE A 95  ? 0.007 0.105 0.211 -0.002 -0.008 -0.012 95  PHE AAA CD2 
771  C  CE1 . PHE A 95  ? 0.011 0.122 0.192 -0.003 -0.029 0.017  95  PHE AAA CE1 
772  C  CE2 . PHE A 95  ? 0.007 0.142 0.223 -0.012 0.002  0.002  95  PHE AAA CE2 
773  C  CZ  . PHE A 95  ? 0.007 0.133 0.217 0.001  -0.012 -0.008 95  PHE AAA CZ  
774  N  N   . HIS A 96  ? 0.007 0.095 0.185 0.006  -0.003 0.013  96  HIS AAA N   
775  C  CA  . HIS A 96  ? 0.008 0.086 0.181 0.008  -0.010 0.000  96  HIS AAA CA  
776  C  C   . HIS A 96  ? 0.006 0.098 0.186 -0.001 -0.000 -0.006 96  HIS AAA C   
777  O  O   . HIS A 96  ? 0.007 0.095 0.206 -0.010 0.001  0.003  96  HIS AAA O   
778  C  CB  . HIS A 96  ? 0.013 0.089 0.189 0.005  -0.011 -0.005 96  HIS AAA CB  
779  C  CG  . HIS A 96  ? 0.007 0.075 0.215 0.002  -0.012 -0.008 96  HIS AAA CG  
780  N  ND1 . HIS A 96  ? 0.010 0.092 0.273 -0.011 -0.026 -0.007 96  HIS AAA ND1 
781  C  CD2 . HIS A 96  ? 0.011 0.065 0.206 0.012  -0.020 0.000  96  HIS AAA CD2 
782  C  CE1 . HIS A 96  ? 0.008 0.084 0.261 0.012  -0.009 -0.013 96  HIS AAA CE1 
783  N  NE2 . HIS A 96  ? 0.015 0.059 0.225 0.021  -0.012 -0.009 96  HIS AAA NE2 
784  N  N   . TRP A 97  ? 0.007 0.076 0.202 0.003  0.003  0.001  97  TRP AAA N   
785  C  CA  . TRP A 97  ? 0.030 0.074 0.173 0.011  0.001  0.010  97  TRP AAA CA  
786  C  C   . TRP A 97  ? 0.007 0.071 0.204 -0.004 0.009  0.020  97  TRP AAA C   
787  O  O   . TRP A 97  ? 0.009 0.087 0.201 -0.012 0.012  0.005  97  TRP AAA O   
788  C  CB  . TRP A 97  ? 0.038 0.082 0.195 0.016  -0.011 0.000  97  TRP AAA CB  
789  C  CG  . TRP A 97  ? 0.021 0.097 0.184 0.005  -0.020 -0.002 97  TRP AAA CG  
790  C  CD1 . TRP A 97  ? 0.028 0.107 0.204 -0.000 -0.008 -0.008 97  TRP AAA CD1 
791  C  CD2 . TRP A 97  ? 0.008 0.088 0.186 -0.009 -0.009 -0.013 97  TRP AAA CD2 
792  N  NE1 . TRP A 97  ? 0.039 0.109 0.186 0.013  0.009  -0.012 97  TRP AAA NE1 
793  C  CE2 . TRP A 97  ? 0.015 0.103 0.176 0.014  0.001  -0.008 97  TRP AAA CE2 
794  C  CE3 . TRP A 97  ? 0.008 0.103 0.180 0.011  0.004  0.001  97  TRP AAA CE3 
795  C  CZ2 . TRP A 97  ? 0.016 0.130 0.176 0.012  0.010  -0.006 97  TRP AAA CZ2 
796  C  CZ3 . TRP A 97  ? 0.008 0.089 0.194 0.004  -0.014 -0.002 97  TRP AAA CZ3 
797  C  CH2 . TRP A 97  ? 0.023 0.107 0.185 0.010  -0.015 0.014  97  TRP AAA CH2 
798  N  N   . GLY A 98  ? 0.020 0.070 0.201 -0.009 -0.002 0.001  98  GLY AAA N   
799  C  CA  . GLY A 98  ? 0.037 0.083 0.199 0.006  0.006  0.008  98  GLY AAA CA  
800  C  C   . GLY A 98  ? 0.033 0.088 0.221 0.007  -0.004 -0.016 98  GLY AAA C   
801  O  O   . GLY A 98  ? 0.068 0.107 0.216 0.003  -0.007 -0.000 98  GLY AAA O   
802  N  N   . SER A 99  ? 0.041 0.099 0.235 0.015  -0.001 -0.003 99  SER AAA N   
803  C  CA  . SER A 99  ? 0.080 0.128 0.220 0.017  0.013  -0.012 99  SER AAA CA  
804  C  C   . SER A 99  ? 0.070 0.131 0.220 0.019  0.013  -0.020 99  SER AAA C   
805  O  O   . SER A 99  ? 0.152 0.171 0.243 -0.008 0.015  -0.047 99  SER AAA O   
806  C  CB  . SER A 99  ? 0.076 0.109 0.262 0.001  0.033  -0.031 99  SER AAA CB  
807  O  OG  . SER A 99  ? 0.117 0.131 0.290 0.014  0.002  -0.014 99  SER AAA OG  
808  N  N   . LEU A 100 ? 0.056 0.104 0.231 -0.002 0.011  -0.027 100 LEU AAA N   
809  C  CA  . LEU A 100 ? 0.099 0.113 0.260 -0.019 0.033  -0.025 100 LEU AAA CA  
810  C  C   . LEU A 100 ? 0.106 0.100 0.232 -0.006 0.011  -0.020 100 LEU AAA C   
811  O  O   . LEU A 100 ? 0.070 0.107 0.255 0.005  0.006  -0.025 100 LEU AAA O   
812  C  CB  . LEU A 100 ? 0.179 0.147 0.345 0.035  0.075  0.025  100 LEU AAA CB  
813  C  CG  . LEU A 100 ? 0.142 0.233 0.357 0.015  0.025  -0.019 100 LEU AAA CG  
814  C  CD1 . LEU A 100 ? 0.130 0.416 0.447 0.043  0.039  0.042  100 LEU AAA CD1 
815  C  CD2 . LEU A 100 ? 0.249 0.375 0.301 -0.079 0.009  -0.089 100 LEU AAA CD2 
816  N  N   . ASP A 101 ? 0.097 0.097 0.269 -0.005 0.006  -0.002 101 ASP AAA N   
817  C  CA  . ASP A 101 ? 0.059 0.113 0.280 -0.005 -0.007 0.003  101 ASP AAA CA  
818  C  C   . ASP A 101 ? 0.053 0.103 0.284 0.006  0.001  0.005  101 ASP AAA C   
819  O  O   . ASP A 101 ? 0.120 0.132 0.295 0.044  0.014  0.019  101 ASP AAA O   
820  C  CB  . ASP A 101 ? 0.074 0.172 0.302 -0.046 0.002  0.035  101 ASP AAA CB  
821  C  CG  . ASP A 101 ? 0.111 0.236 0.342 -0.054 -0.011 0.023  101 ASP AAA CG  
822  O  OD1 . ASP A 101 ? 0.159 0.211 0.359 -0.058 -0.069 0.043  101 ASP AAA OD1 
823  O  OD2 . ASP A 101 ? 0.238 0.319 0.524 -0.156 -0.071 0.022  101 ASP AAA OD2 
824  N  N   . GLY A 102 ? 0.081 0.093 0.272 0.007  -0.014 0.003  102 GLY AAA N   
825  C  CA  . GLY A 102 ? 0.116 0.112 0.279 -0.026 -0.011 0.019  102 GLY AAA CA  
826  C  C   . GLY A 102 ? 0.073 0.099 0.250 -0.002 0.006  0.023  102 GLY AAA C   
827  O  O   . GLY A 102 ? 0.099 0.136 0.257 -0.035 -0.009 0.016  102 GLY AAA O   
828  N  N   . GLN A 103 ? 0.043 0.094 0.222 0.003  0.000  0.009  103 GLN AAA N   
829  C  CA  A GLN A 103 ? 0.033 0.094 0.205 0.014  -0.010 -0.003 103 GLN AAA CA  
830  C  CA  B GLN A 103 ? 0.033 0.101 0.208 -0.008 0.005  0.013  103 GLN AAA CA  
831  C  C   . GLN A 103 ? 0.018 0.085 0.193 0.001  -0.007 -0.005 103 GLN AAA C   
832  O  O   . GLN A 103 ? 0.032 0.103 0.199 0.008  -0.018 -0.014 103 GLN AAA O   
833  C  CB  A GLN A 103 ? 0.042 0.094 0.222 0.024  0.008  0.009  103 GLN AAA CB  
834  C  CB  B GLN A 103 ? 0.033 0.078 0.239 -0.011 0.008  0.017  103 GLN AAA CB  
835  C  CG  A GLN A 103 ? 0.065 0.089 0.224 0.029  0.001  0.007  103 GLN AAA CG  
836  C  CG  B GLN A 103 ? 0.069 0.131 0.223 -0.013 -0.002 0.014  103 GLN AAA CG  
837  C  CD  A GLN A 103 ? 0.060 0.083 0.227 0.023  0.003  -0.007 103 GLN AAA CD  
838  C  CD  B GLN A 103 ? 0.073 0.096 0.241 -0.007 0.006  0.033  103 GLN AAA CD  
839  O  OE1 A GLN A 103 ? 0.071 0.105 0.285 0.027  -0.010 0.024  103 GLN AAA OE1 
840  O  OE1 B GLN A 103 ? 0.119 0.142 0.308 0.030  0.040  0.091  103 GLN AAA OE1 
841  N  NE2 A GLN A 103 ? 0.014 0.156 0.219 0.033  -0.003 -0.015 103 GLN AAA NE2 
842  N  NE2 B GLN A 103 ? 0.106 0.147 0.183 -0.016 -0.015 0.051  103 GLN AAA NE2 
843  N  N   . GLY A 104 ? 0.022 0.081 0.191 -0.003 -0.000 -0.006 104 GLY AAA N   
844  C  CA  . GLY A 104 ? 0.019 0.087 0.200 -0.013 -0.007 0.003  104 GLY AAA CA  
845  C  C   . GLY A 104 ? 0.015 0.080 0.200 -0.015 -0.003 0.006  104 GLY AAA C   
846  O  O   . GLY A 104 ? 0.029 0.090 0.200 -0.004 0.007  0.007  104 GLY AAA O   
847  N  N   . SER A 105 ? 0.019 0.081 0.181 -0.010 -0.000 0.003  105 SER AAA N   
848  C  CA  . SER A 105 ? 0.028 0.097 0.185 -0.027 -0.001 -0.005 105 SER AAA CA  
849  C  C   . SER A 105 ? 0.006 0.077 0.180 -0.003 0.001  -0.001 105 SER AAA C   
850  O  O   . SER A 105 ? 0.026 0.101 0.210 0.020  -0.013 -0.013 105 SER AAA O   
851  C  CB  . SER A 105 ? 0.007 0.110 0.218 -0.006 -0.002 -0.001 105 SER AAA CB  
852  O  OG  . SER A 105 ? 0.029 0.097 0.208 -0.012 -0.009 0.004  105 SER AAA OG  
853  N  N   . GLU A 106 ? 0.022 0.082 0.194 0.004  -0.015 -0.012 106 GLU AAA N   
854  C  CA  . GLU A 106 ? 0.008 0.090 0.192 -0.010 -0.006 -0.003 106 GLU AAA CA  
855  C  C   . GLU A 106 ? 0.007 0.079 0.183 0.002  -0.011 -0.004 106 GLU AAA C   
856  O  O   . GLU A 106 ? 0.017 0.110 0.186 0.009  -0.014 0.001  106 GLU AAA O   
857  C  CB  . GLU A 106 ? 0.029 0.086 0.195 -0.012 -0.005 -0.014 106 GLU AAA CB  
858  C  CG  . GLU A 106 ? 0.060 0.093 0.208 0.003  -0.007 -0.003 106 GLU AAA CG  
859  C  CD  . GLU A 106 ? 0.009 0.111 0.207 -0.008 -0.020 -0.003 106 GLU AAA CD  
860  O  OE1 . GLU A 106 ? 0.007 0.124 0.297 0.009  -0.012 -0.019 106 GLU AAA OE1 
861  O  OE2 . GLU A 106 ? 0.009 0.141 0.245 0.002  -0.001 0.003  106 GLU AAA OE2 
862  N  N   . HIS A 107 ? 0.012 0.087 0.192 0.018  -0.015 0.012  107 HIS AAA N   
863  C  CA  . HIS A 107 ? 0.010 0.101 0.179 0.017  -0.012 -0.003 107 HIS AAA CA  
864  C  C   . HIS A 107 ? 0.009 0.104 0.165 0.017  0.001  -0.003 107 HIS AAA C   
865  O  O   . HIS A 107 ? 0.030 0.097 0.180 0.006  -0.005 0.004  107 HIS AAA O   
866  C  CB  . HIS A 107 ? 0.008 0.114 0.193 0.010  -0.007 -0.008 107 HIS AAA CB  
867  C  CG  . HIS A 107 ? 0.007 0.108 0.179 0.007  0.002  0.001  107 HIS AAA CG  
868  N  ND1 . HIS A 107 ? 0.014 0.086 0.191 0.002  -0.010 0.005  107 HIS AAA ND1 
869  C  CD2 . HIS A 107 ? 0.013 0.121 0.165 0.023  -0.015 0.015  107 HIS AAA CD2 
870  C  CE1 . HIS A 107 ? 0.012 0.080 0.218 0.009  -0.020 0.023  107 HIS AAA CE1 
871  N  NE2 . HIS A 107 ? 0.013 0.099 0.203 0.024  -0.008 0.004  107 HIS AAA NE2 
872  N  N   . THR A 108 ? 0.013 0.101 0.177 -0.002 -0.005 0.002  108 THR AAA N   
873  C  CA  . THR A 108 ? 0.035 0.090 0.181 -0.001 0.006  0.012  108 THR AAA CA  
874  C  C   . THR A 108 ? 0.030 0.097 0.169 -0.016 -0.011 -0.002 108 THR AAA C   
875  O  O   . THR A 108 ? 0.014 0.123 0.201 -0.000 -0.006 -0.007 108 THR AAA O   
876  C  CB  . THR A 108 ? 0.077 0.107 0.192 0.030  -0.018 0.019  108 THR AAA CB  
877  O  OG1 . THR A 108 ? 0.055 0.137 0.206 0.017  -0.003 0.010  108 THR AAA OG1 
878  C  CG2 . THR A 108 ? 0.096 0.126 0.190 0.003  -0.015 0.013  108 THR AAA CG2 
879  N  N   . VAL A 109 ? 0.058 0.080 0.194 -0.011 -0.005 -0.001 109 VAL AAA N   
880  C  CA  . VAL A 109 ? 0.044 0.110 0.180 -0.008 -0.006 0.010  109 VAL AAA CA  
881  C  C   . VAL A 109 ? 0.032 0.111 0.193 0.008  -0.019 0.003  109 VAL AAA C   
882  O  O   . VAL A 109 ? 0.042 0.107 0.224 -0.012 -0.006 -0.001 109 VAL AAA O   
883  C  CB  . VAL A 109 ? 0.034 0.119 0.230 0.013  -0.004 0.013  109 VAL AAA CB  
884  C  CG1 . VAL A 109 ? 0.039 0.146 0.268 0.012  0.018  0.007  109 VAL AAA CG1 
885  C  CG2 . VAL A 109 ? 0.016 0.125 0.260 0.005  0.001  0.022  109 VAL AAA CG2 
886  N  N   . ASP A 110 ? 0.081 0.098 0.180 -0.003 -0.012 0.004  110 ASP AAA N   
887  C  CA  . ASP A 110 ? 0.093 0.105 0.190 0.011  -0.003 0.012  110 ASP AAA CA  
888  C  C   . ASP A 110 ? 0.071 0.117 0.230 0.009  -0.002 0.003  110 ASP AAA C   
889  O  O   . ASP A 110 ? 0.137 0.113 0.247 0.037  0.020  0.019  110 ASP AAA O   
890  C  CB  . ASP A 110 ? 0.108 0.116 0.232 0.006  0.014  0.024  110 ASP AAA CB  
891  C  CG  . ASP A 110 ? 0.096 0.150 0.247 0.019  0.015  0.017  110 ASP AAA CG  
892  O  OD1 . ASP A 110 ? 0.112 0.166 0.252 0.004  0.036  0.007  110 ASP AAA OD1 
893  O  OD2 . ASP A 110 ? 0.102 0.205 0.303 0.011  0.033  0.009  110 ASP AAA OD2 
894  N  N   . LYS A 111 ? 0.069 0.119 0.222 0.024  -0.001 0.017  111 LYS AAA N   
895  C  CA  . LYS A 111 ? 0.056 0.148 0.228 0.034  0.003  0.022  111 LYS AAA CA  
896  C  C   . LYS A 111 ? 0.065 0.121 0.203 0.028  0.016  0.032  111 LYS AAA C   
897  O  O   . LYS A 111 ? 0.096 0.152 0.241 0.029  0.027  0.011  111 LYS AAA O   
898  C  CB  . LYS A 111 ? 0.093 0.191 0.239 0.076  0.004  0.019  111 LYS AAA CB  
899  C  CG  . LYS A 111 ? 0.104 0.268 0.252 0.089  -0.030 0.041  111 LYS AAA CG  
900  C  CD  . LYS A 111 ? 0.220 0.290 0.352 -0.013 -0.042 -0.034 111 LYS AAA CD  
901  C  CE  . LYS A 111 ? 0.225 0.416 0.378 0.083  -0.122 -0.033 111 LYS AAA CE  
902  N  NZ  . LYS A 111 ? 0.297 0.416 0.504 0.138  -0.106 0.005  111 LYS AAA NZ  
903  N  N   . LYS A 112 ? 0.059 0.099 0.214 0.015  0.027  0.014  112 LYS AAA N   
904  C  CA  . LYS A 112 ? 0.104 0.153 0.207 0.036  0.029  0.022  112 LYS AAA CA  
905  C  C   . LYS A 112 ? 0.050 0.123 0.190 0.012  0.012  -0.010 112 LYS AAA C   
906  O  O   . LYS A 112 ? 0.035 0.110 0.222 0.010  0.005  -0.020 112 LYS AAA O   
907  C  CB  . LYS A 112 ? 0.124 0.133 0.249 -0.009 0.030  0.002  112 LYS AAA CB  
908  C  CG  . LYS A 112 ? 0.128 0.191 0.241 -0.024 0.041  -0.034 112 LYS AAA CG  
909  C  CD  . LYS A 112 ? 0.137 0.241 0.306 -0.026 0.010  0.006  112 LYS AAA CD  
910  C  CE  . LYS A 112 ? 0.166 0.215 0.327 -0.055 -0.010 0.001  112 LYS AAA CE  
911  N  NZ  . LYS A 112 ? 0.242 0.228 0.429 -0.048 -0.049 0.032  112 LYS AAA NZ  
912  N  N   . LYS A 113 ? 0.059 0.100 0.195 0.044  0.004  -0.004 113 LYS AAA N   
913  C  CA  A LYS A 113 ? 0.045 0.130 0.218 0.022  0.001  0.014  113 LYS AAA CA  
914  C  CA  B LYS A 113 ? 0.019 0.124 0.228 0.023  0.011  0.018  113 LYS AAA CA  
915  C  C   . LYS A 113 ? 0.056 0.088 0.221 0.004  -0.001 0.022  113 LYS AAA C   
916  O  O   . LYS A 113 ? 0.123 0.091 0.268 0.005  -0.046 0.010  113 LYS AAA O   
917  C  CB  A LYS A 113 ? 0.043 0.134 0.238 0.018  0.006  0.006  113 LYS AAA CB  
918  C  CB  B LYS A 113 ? 0.018 0.122 0.245 0.020  0.018  0.018  113 LYS AAA CB  
919  C  CG  A LYS A 113 ? 0.056 0.168 0.205 0.025  0.007  -0.015 113 LYS AAA CG  
920  C  CG  B LYS A 113 ? 0.015 0.149 0.230 0.013  0.034  0.013  113 LYS AAA CG  
921  C  CD  A LYS A 113 ? 0.030 0.198 0.204 0.052  -0.013 0.005  113 LYS AAA CD  
922  C  CD  B LYS A 113 ? 0.033 0.118 0.207 0.036  0.026  0.023  113 LYS AAA CD  
923  C  CE  A LYS A 113 ? 0.019 0.213 0.200 0.033  0.031  -0.041 113 LYS AAA CE  
924  C  CE  B LYS A 113 ? 0.045 0.122 0.213 -0.008 0.052  0.026  113 LYS AAA CE  
925  N  NZ  A LYS A 113 ? 0.089 0.230 0.232 0.032  0.018  -0.027 113 LYS AAA NZ  
926  N  NZ  B LYS A 113 ? 0.050 0.200 0.264 0.019  0.057  0.024  113 LYS AAA NZ  
927  N  N   . TYR A 114 ? 0.051 0.078 0.228 -0.004 -0.018 0.018  114 TYR AAA N   
928  C  CA  . TYR A 114 ? 0.025 0.099 0.227 0.003  -0.006 0.018  114 TYR AAA CA  
929  C  C   . TYR A 114 ? 0.027 0.093 0.230 -0.007 -0.010 -0.006 114 TYR AAA C   
930  O  O   . TYR A 114 ? 0.025 0.107 0.215 -0.010 -0.009 -0.013 114 TYR AAA O   
931  C  CB  . TYR A 114 ? 0.033 0.101 0.209 0.006  0.000  0.013  114 TYR AAA CB  
932  C  CG  . TYR A 114 ? 0.058 0.093 0.199 0.016  0.007  0.009  114 TYR AAA CG  
933  C  CD1 . TYR A 114 ? 0.088 0.137 0.208 0.024  0.005  0.018  114 TYR AAA CD1 
934  C  CD2 . TYR A 114 ? 0.060 0.122 0.242 0.003  0.012  0.008  114 TYR AAA CD2 
935  C  CE1 . TYR A 114 ? 0.131 0.175 0.203 0.044  0.033  -0.004 114 TYR AAA CE1 
936  C  CE2 . TYR A 114 ? 0.064 0.159 0.275 0.000  0.035  0.029  114 TYR AAA CE2 
937  C  CZ  . TYR A 114 ? 0.122 0.232 0.255 0.012  0.046  0.052  114 TYR AAA CZ  
938  O  OH  . TYR A 114 ? 0.198 0.358 0.326 0.024  0.108  0.078  114 TYR AAA OH  
939  N  N   . ALA A 115 ? 0.027 0.093 0.216 -0.005 -0.010 -0.003 115 ALA AAA N   
940  C  CA  . ALA A 115 ? 0.024 0.072 0.228 -0.008 -0.008 -0.005 115 ALA AAA CA  
941  C  C   . ALA A 115 ? 0.015 0.075 0.204 -0.012 -0.002 -0.009 115 ALA AAA C   
942  O  O   . ALA A 115 ? 0.011 0.088 0.220 -0.002 0.006  -0.005 115 ALA AAA O   
943  C  CB  . ALA A 115 ? 0.027 0.089 0.257 -0.023 -0.015 -0.014 115 ALA AAA CB  
944  N  N   . ALA A 116 ? 0.030 0.084 0.200 -0.006 0.005  -0.018 116 ALA AAA N   
945  C  CA  . ALA A 116 ? 0.008 0.091 0.193 -0.006 0.005  -0.015 116 ALA AAA CA  
946  C  C   . ALA A 116 ? 0.009 0.075 0.165 0.005  -0.005 -0.004 116 ALA AAA C   
947  O  O   . ALA A 116 ? 0.006 0.101 0.196 0.000  0.006  -0.003 116 ALA AAA O   
948  C  CB  . ALA A 116 ? 0.010 0.095 0.187 -0.016 0.006  -0.003 116 ALA AAA CB  
949  N  N   . GLU A 117 ? 0.007 0.075 0.187 0.000  -0.008 -0.004 117 GLU AAA N   
950  C  CA  . GLU A 117 ? 0.008 0.084 0.184 -0.008 0.015  0.003  117 GLU AAA CA  
951  C  C   . GLU A 117 ? 0.007 0.076 0.199 0.008  0.000  0.004  117 GLU AAA C   
952  O  O   . GLU A 117 ? 0.010 0.113 0.238 0.017  0.019  0.026  117 GLU AAA O   
953  C  CB  . GLU A 117 ? 0.034 0.099 0.184 0.001  -0.012 0.000  117 GLU AAA CB  
954  C  CG  . GLU A 117 ? 0.050 0.096 0.195 -0.002 -0.015 0.001  117 GLU AAA CG  
955  C  CD  . GLU A 117 ? 0.041 0.102 0.179 0.008  -0.004 0.001  117 GLU AAA CD  
956  O  OE1 . GLU A 117 ? 0.036 0.117 0.217 0.014  -0.013 0.001  117 GLU AAA OE1 
957  O  OE2 . GLU A 117 ? 0.070 0.122 0.193 0.007  -0.031 -0.003 117 GLU AAA OE2 
958  N  N   . LEU A 118 ? 0.007 0.090 0.202 -0.006 0.004  -0.003 118 LEU AAA N   
959  C  CA  . LEU A 118 ? 0.009 0.107 0.202 -0.017 -0.001 0.004  118 LEU AAA CA  
960  C  C   . LEU A 118 ? 0.012 0.066 0.194 0.008  -0.028 0.020  118 LEU AAA C   
961  O  O   . LEU A 118 ? 0.007 0.100 0.213 -0.008 -0.005 0.015  118 LEU AAA O   
962  C  CB  . LEU A 118 ? 0.008 0.096 0.221 -0.013 -0.009 0.014  118 LEU AAA CB  
963  C  CG  . LEU A 118 ? 0.007 0.108 0.207 0.004  -0.011 0.004  118 LEU AAA CG  
964  C  CD1 . LEU A 118 ? 0.010 0.115 0.222 0.010  -0.024 0.018  118 LEU AAA CD1 
965  C  CD2 . LEU A 118 ? 0.008 0.143 0.233 0.007  -0.016 0.012  118 LEU AAA CD2 
966  N  N   . HIS A 119 ? 0.007 0.076 0.177 0.001  -0.009 0.012  119 HIS AAA N   
967  C  CA  . HIS A 119 ? 0.009 0.078 0.172 -0.012 0.007  0.007  119 HIS AAA CA  
968  C  C   . HIS A 119 ? 0.007 0.075 0.170 -0.006 -0.007 -0.014 119 HIS AAA C   
969  O  O   . HIS A 119 ? 0.009 0.114 0.198 0.014  -0.007 0.001  119 HIS AAA O   
970  C  CB  . HIS A 119 ? 0.010 0.084 0.169 -0.016 -0.012 0.017  119 HIS AAA CB  
971  C  CG  . HIS A 119 ? 0.006 0.090 0.198 0.001  -0.005 0.007  119 HIS AAA CG  
972  N  ND1 . HIS A 119 ? 0.017 0.136 0.280 -0.037 0.015  -0.016 119 HIS AAA ND1 
973  C  CD2 . HIS A 119 ? 0.008 0.094 0.182 0.009  -0.013 0.008  119 HIS AAA CD2 
974  C  CE1 . HIS A 119 ? 0.007 0.098 0.272 -0.009 -0.005 -0.035 119 HIS AAA CE1 
975  N  NE2 . HIS A 119 ? 0.009 0.086 0.223 -0.001 -0.022 0.002  119 HIS AAA NE2 
976  N  N   . LEU A 120 ? 0.007 0.072 0.209 -0.004 -0.002 0.000  120 LEU AAA N   
977  C  CA  . LEU A 120 ? 0.007 0.091 0.196 0.008  -0.005 0.007  120 LEU AAA CA  
978  C  C   . LEU A 120 ? 0.012 0.072 0.250 0.018  -0.003 0.008  120 LEU AAA C   
979  O  O   . LEU A 120 ? 0.007 0.107 0.226 0.000  -0.013 0.008  120 LEU AAA O   
980  C  CB  . LEU A 120 ? 0.008 0.104 0.230 0.014  0.005  -0.006 120 LEU AAA CB  
981  C  CG  . LEU A 120 ? 0.006 0.131 0.234 0.003  -0.004 -0.002 120 LEU AAA CG  
982  C  CD1 . LEU A 120 ? 0.163 0.164 0.234 -0.079 -0.015 0.007  120 LEU AAA CD1 
983  C  CD2 . LEU A 120 ? 0.014 0.180 0.262 0.017  -0.042 -0.020 120 LEU AAA CD2 
984  N  N   . VAL A 121 ? 0.007 0.091 0.169 0.006  -0.008 0.001  121 VAL AAA N   
985  C  CA  . VAL A 121 ? 0.010 0.098 0.181 0.006  -0.012 -0.008 121 VAL AAA CA  
986  C  C   . VAL A 121 ? 0.007 0.106 0.198 -0.002 -0.013 -0.002 121 VAL AAA C   
987  O  O   . VAL A 121 ? 0.024 0.092 0.198 0.009  -0.017 -0.003 121 VAL AAA O   
988  C  CB  . VAL A 121 ? 0.007 0.084 0.203 0.008  -0.007 0.002  121 VAL AAA CB  
989  C  CG1 . VAL A 121 ? 0.006 0.111 0.243 0.003  -0.003 -0.005 121 VAL AAA CG1 
990  C  CG2 . VAL A 121 ? 0.039 0.084 0.214 0.017  -0.001 0.004  121 VAL AAA CG2 
991  N  N   . HIS A 122 ? 0.008 0.089 0.201 0.011  -0.010 0.005  122 HIS AAA N   
992  C  CA  . HIS A 122 ? 0.008 0.080 0.227 0.009  0.003  0.002  122 HIS AAA CA  
993  C  C   . HIS A 122 ? 0.015 0.069 0.209 0.014  0.010  0.005  122 HIS AAA C   
994  O  O   . HIS A 122 ? 0.025 0.085 0.225 -0.008 -0.027 0.019  122 HIS AAA O   
995  C  CB  . HIS A 122 ? 0.007 0.101 0.213 0.009  -0.002 -0.010 122 HIS AAA CB  
996  C  CG  . HIS A 122 ? 0.007 0.098 0.224 0.005  -0.005 0.001  122 HIS AAA CG  
997  N  ND1 . HIS A 122 ? 0.006 0.088 0.245 0.000  0.003  0.005  122 HIS AAA ND1 
998  C  CD2 . HIS A 122 ? 0.006 0.110 0.283 -0.003 0.001  0.014  122 HIS AAA CD2 
999  C  CE1 . HIS A 122 ? 0.009 0.082 0.242 -0.003 -0.013 0.006  122 HIS AAA CE1 
1000 N  NE2 . HIS A 122 ? 0.007 0.107 0.245 0.011  0.004  0.017  122 HIS AAA NE2 
1001 N  N   . TRP A 123 ? 0.007 0.064 0.235 0.006  -0.011 0.005  123 TRP AAA N   
1002 C  CA  . TRP A 123 ? 0.009 0.052 0.249 0.001  -0.010 0.006  123 TRP AAA CA  
1003 C  C   . TRP A 123 ? 0.008 0.068 0.222 0.003  -0.016 -0.001 123 TRP AAA C   
1004 O  O   . TRP A 123 ? 0.008 0.103 0.270 0.005  -0.017 -0.011 123 TRP AAA O   
1005 C  CB  . TRP A 123 ? 0.012 0.080 0.270 -0.020 -0.001 -0.005 123 TRP AAA CB  
1006 C  CG  . TRP A 123 ? 0.062 0.114 0.245 -0.002 0.018  0.003  123 TRP AAA CG  
1007 C  CD1 . TRP A 123 ? 0.076 0.112 0.253 0.011  0.014  0.000  123 TRP AAA CD1 
1008 C  CD2 . TRP A 123 ? 0.063 0.097 0.252 -0.016 0.008  0.003  123 TRP AAA CD2 
1009 N  NE1 . TRP A 123 ? 0.105 0.108 0.249 -0.016 -0.046 -0.006 123 TRP AAA NE1 
1010 C  CE2 . TRP A 123 ? 0.080 0.092 0.260 -0.025 -0.006 -0.001 123 TRP AAA CE2 
1011 C  CE3 . TRP A 123 ? 0.109 0.098 0.289 -0.026 0.015  -0.007 123 TRP AAA CE3 
1012 C  CZ2 . TRP A 123 ? 0.140 0.106 0.280 -0.019 -0.023 0.016  123 TRP AAA CZ2 
1013 C  CZ3 . TRP A 123 ? 0.141 0.090 0.326 -0.035 0.017  -0.011 123 TRP AAA CZ3 
1014 C  CH2 . TRP A 123 ? 0.196 0.083 0.321 0.003  0.009  0.010  123 TRP AAA CH2 
1015 N  N   . ASN A 124 ? 0.009 0.108 0.248 0.011  -0.018 -0.023 124 ASN AAA N   
1016 C  CA  . ASN A 124 ? 0.034 0.084 0.236 -0.013 0.010  -0.017 124 ASN AAA CA  
1017 C  C   . ASN A 124 ? 0.016 0.090 0.250 0.000  -0.010 -0.020 124 ASN AAA C   
1018 O  O   . ASN A 124 ? 0.033 0.100 0.273 -0.012 0.002  -0.018 124 ASN AAA O   
1019 C  CB  . ASN A 124 ? 0.065 0.108 0.243 -0.016 0.001  -0.016 124 ASN AAA CB  
1020 C  CG  . ASN A 124 ? 0.063 0.096 0.239 -0.015 0.002  -0.006 124 ASN AAA CG  
1021 O  OD1 . ASN A 124 ? 0.058 0.113 0.289 0.008  0.010  -0.022 124 ASN AAA OD1 
1022 N  ND2 . ASN A 124 ? 0.095 0.131 0.243 -0.002 -0.014 -0.002 124 ASN AAA ND2 
1023 N  N   . THR A 125 ? 0.035 0.124 0.253 0.019  -0.027 -0.013 125 THR AAA N   
1024 C  CA  . THR A 125 ? 0.080 0.092 0.323 0.053  -0.024 -0.011 125 THR AAA CA  
1025 C  C   . THR A 125 ? 0.044 0.092 0.332 0.053  0.011  -0.003 125 THR AAA C   
1026 O  O   . THR A 125 ? 0.081 0.114 0.354 0.030  -0.014 0.008  125 THR AAA O   
1027 C  CB  . THR A 125 ? 0.119 0.135 0.351 0.069  -0.076 0.011  125 THR AAA CB  
1028 O  OG1 . THR A 125 ? 0.073 0.172 0.463 0.027  -0.013 -0.011 125 THR AAA OG1 
1029 C  CG2 . THR A 125 ? 0.175 0.174 0.347 0.027  -0.055 0.004  125 THR AAA CG2 
1030 N  N   . LYS A 126 ? 0.061 0.124 0.246 0.020  0.016  -0.012 127 LYS AAA N   
1031 C  CA  . LYS A 126 ? 0.095 0.123 0.336 -0.001 0.043  -0.032 127 LYS AAA CA  
1032 C  C   . LYS A 126 ? 0.072 0.091 0.308 0.017  0.010  -0.003 127 LYS AAA C   
1033 O  O   . LYS A 126 ? 0.123 0.105 0.349 0.009  0.018  -0.026 127 LYS AAA O   
1034 C  CB  . LYS A 126 ? 0.098 0.173 0.343 -0.006 0.002  -0.052 127 LYS AAA CB  
1035 C  CG  . LYS A 126 ? 0.083 0.211 0.359 -0.025 0.020  -0.015 127 LYS AAA CG  
1036 C  CD  . LYS A 126 ? 0.294 0.302 0.369 -0.156 0.100  0.018  127 LYS AAA CD  
1037 C  CE  . LYS A 126 ? 0.477 0.255 0.413 -0.060 0.087  -0.017 127 LYS AAA CE  
1038 N  NZ  . LYS A 126 ? 0.729 0.623 0.499 -0.083 -0.088 0.220  127 LYS AAA NZ  
1039 N  N   . TYR A 127 ? 0.061 0.083 0.252 0.001  0.003  -0.000 128 TYR AAA N   
1040 C  CA  . TYR A 127 ? 0.051 0.118 0.251 -0.005 -0.010 -0.008 128 TYR AAA CA  
1041 C  C   . TYR A 127 ? 0.057 0.109 0.272 0.015  0.010  0.012  128 TYR AAA C   
1042 O  O   . TYR A 127 ? 0.063 0.124 0.296 -0.014 0.017  -0.005 128 TYR AAA O   
1043 C  CB  . TYR A 127 ? 0.037 0.111 0.287 0.001  0.002  -0.033 128 TYR AAA CB  
1044 C  CG  . TYR A 127 ? 0.061 0.106 0.274 0.007  -0.009 -0.013 128 TYR AAA CG  
1045 C  CD1 . TYR A 127 ? 0.090 0.127 0.284 -0.017 -0.005 -0.007 128 TYR AAA CD1 
1046 C  CD2 . TYR A 127 ? 0.043 0.111 0.262 -0.007 -0.038 -0.011 128 TYR AAA CD2 
1047 C  CE1 . TYR A 127 ? 0.109 0.149 0.261 -0.009 -0.025 -0.037 128 TYR AAA CE1 
1048 C  CE2 . TYR A 127 ? 0.060 0.133 0.251 0.017  0.003  -0.013 128 TYR AAA CE2 
1049 C  CZ  . TYR A 127 ? 0.121 0.148 0.263 0.014  0.002  -0.028 128 TYR AAA CZ  
1050 O  OH  . TYR A 127 ? 0.182 0.162 0.269 0.005  -0.020 -0.032 128 TYR AAA OH  
1051 N  N   . GLY A 128 ? 0.063 0.098 0.265 0.009  0.009  0.001  129 GLY AAA N   
1052 C  CA  . GLY A 128 ? 0.044 0.121 0.271 0.008  -0.009 0.027  129 GLY AAA CA  
1053 C  C   . GLY A 128 ? 0.094 0.103 0.243 0.014  0.027  0.035  129 GLY AAA C   
1054 O  O   . GLY A 128 ? 0.114 0.123 0.261 0.044  0.011  0.035  129 GLY AAA O   
1055 N  N   . ASP A 129 ? 0.101 0.119 0.233 0.025  -0.010 0.003  130 ASP AAA N   
1056 C  CA  . ASP A 129 ? 0.054 0.112 0.278 0.033  0.001  -0.004 130 ASP AAA CA  
1057 C  C   . ASP A 129 ? 0.077 0.100 0.216 0.013  0.026  0.005  130 ASP AAA C   
1058 O  O   . ASP A 129 ? 0.097 0.121 0.219 0.022  0.000  0.004  130 ASP AAA O   
1059 C  CB  . ASP A 129 ? 0.127 0.125 0.291 0.057  0.027  0.017  130 ASP AAA CB  
1060 C  CG  . ASP A 129 ? 0.135 0.143 0.341 0.042  0.033  -0.012 130 ASP AAA CG  
1061 O  OD1 . ASP A 129 ? 0.164 0.151 0.333 0.027  -0.032 0.008  130 ASP AAA OD1 
1062 O  OD2 . ASP A 129 ? 0.104 0.164 0.432 0.012  -0.005 0.013  130 ASP AAA OD2 
1063 N  N   . PHE A 130 ? 0.075 0.109 0.225 0.009  0.005  -0.019 131 PHE AAA N   
1064 C  CA  . PHE A 130 ? 0.061 0.116 0.233 0.006  0.004  0.012  131 PHE AAA CA  
1065 C  C   . PHE A 130 ? 0.066 0.118 0.234 -0.014 0.004  0.018  131 PHE AAA C   
1066 O  O   . PHE A 130 ? 0.065 0.121 0.219 -0.019 -0.008 0.017  131 PHE AAA O   
1067 C  CB  . PHE A 130 ? 0.069 0.112 0.257 0.016  -0.017 -0.004 131 PHE AAA CB  
1068 C  CG  . PHE A 130 ? 0.041 0.107 0.264 0.001  -0.002 -0.003 131 PHE AAA CG  
1069 C  CD1 . PHE A 130 ? 0.083 0.113 0.253 -0.026 0.002  -0.007 131 PHE AAA CD1 
1070 C  CD2 . PHE A 130 ? 0.074 0.162 0.308 0.026  0.057  0.014  131 PHE AAA CD2 
1071 C  CE1 . PHE A 130 ? 0.085 0.120 0.266 -0.030 -0.008 -0.005 131 PHE AAA CE1 
1072 C  CE2 . PHE A 130 ? 0.101 0.201 0.295 0.077  0.063  0.037  131 PHE AAA CE2 
1073 C  CZ  . PHE A 130 ? 0.142 0.135 0.311 0.025  0.013  -0.001 131 PHE AAA CZ  
1074 N  N   . GLY A 131 ? 0.076 0.133 0.238 -0.006 0.008  0.034  132 GLY AAA N   
1075 C  CA  . GLY A 131 ? 0.060 0.125 0.251 -0.004 0.026  0.007  132 GLY AAA CA  
1076 C  C   . GLY A 131 ? 0.043 0.129 0.234 -0.008 0.008  0.014  132 GLY AAA C   
1077 O  O   . GLY A 131 ? 0.069 0.174 0.295 -0.002 -0.015 0.004  132 GLY AAA O   
1078 N  N   . LYS A 132 ? 0.037 0.117 0.256 -0.006 -0.007 0.021  133 LYS AAA N   
1079 C  CA  A LYS A 132 ? 0.062 0.136 0.245 -0.017 0.015  0.006  133 LYS AAA CA  
1080 C  C   . LYS A 132 ? 0.034 0.112 0.217 -0.020 -0.000 -0.022 133 LYS AAA C   
1081 O  O   . LYS A 132 ? 0.073 0.141 0.223 -0.047 -0.007 -0.001 133 LYS AAA O   
1082 C  CB  A LYS A 132 ? 0.071 0.147 0.294 -0.005 -0.004 0.003  133 LYS AAA CB  
1083 C  CG  A LYS A 132 ? 0.096 0.192 0.370 0.013  0.036  0.043  133 LYS AAA CG  
1084 C  CD  A LYS A 132 ? 0.132 0.176 0.585 -0.037 -0.029 0.134  133 LYS AAA CD  
1085 C  CE  A LYS A 132 ? 0.362 0.517 0.769 0.017  0.068  0.003  133 LYS AAA CE  
1086 N  NZ  A LYS A 132 ? 0.844 0.641 1.050 -0.453 0.158  0.028  133 LYS AAA NZ  
1087 N  N   . ALA A 133 ? 0.039 0.119 0.213 -0.027 -0.011 -0.001 134 ALA AAA N   
1088 C  CA  . ALA A 133 ? 0.011 0.132 0.222 -0.023 0.012  -0.008 134 ALA AAA CA  
1089 C  C   . ALA A 133 ? 0.014 0.133 0.199 -0.032 -0.000 0.001  134 ALA AAA C   
1090 O  O   . ALA A 133 ? 0.011 0.150 0.228 -0.024 -0.008 -0.003 134 ALA AAA O   
1091 C  CB  . ALA A 133 ? 0.008 0.129 0.225 -0.014 0.007  0.001  134 ALA AAA CB  
1092 N  N   . VAL A 134 ? 0.069 0.120 0.202 -0.016 0.024  0.014  135 VAL AAA N   
1093 C  CA  . VAL A 134 ? 0.036 0.122 0.230 -0.029 0.010  0.024  135 VAL AAA CA  
1094 C  C   . VAL A 134 ? 0.009 0.131 0.256 0.006  0.024  0.001  135 VAL AAA C   
1095 O  O   . VAL A 134 ? 0.023 0.151 0.263 0.018  -0.004 -0.003 135 VAL AAA O   
1096 C  CB  . VAL A 134 ? 0.059 0.153 0.260 -0.007 0.007  0.004  135 VAL AAA CB  
1097 C  CG1 . VAL A 134 ? 0.096 0.157 0.233 -0.019 0.008  -0.009 135 VAL AAA CG1 
1098 C  CG2 . VAL A 134 ? 0.034 0.141 0.289 -0.004 0.015  0.006  135 VAL AAA CG2 
1099 N  N   . GLN A 135 ? 0.034 0.121 0.246 -0.008 -0.005 0.005  136 GLN AAA N   
1100 C  CA  . GLN A 135 ? 0.029 0.159 0.275 -0.037 -0.004 -0.007 136 GLN AAA CA  
1101 C  C   . GLN A 135 ? 0.053 0.139 0.263 -0.026 -0.020 0.011  136 GLN AAA C   
1102 O  O   . GLN A 135 ? 0.060 0.232 0.253 -0.051 -0.026 0.004  136 GLN AAA O   
1103 C  CB  . GLN A 135 ? 0.027 0.194 0.321 -0.061 -0.005 -0.009 136 GLN AAA CB  
1104 C  CG  . GLN A 135 ? 0.074 0.230 0.309 -0.045 0.005  0.039  136 GLN AAA CG  
1105 C  CD  . GLN A 135 ? 0.149 0.335 0.382 -0.110 -0.001 0.099  136 GLN AAA CD  
1106 O  OE1 . GLN A 135 ? 0.258 0.467 0.451 -0.193 -0.066 0.110  136 GLN AAA OE1 
1107 N  NE2 . GLN A 135 ? 0.134 0.363 0.416 -0.038 0.021  0.130  136 GLN AAA NE2 
1108 N  N   . GLN A 136 ? 0.063 0.124 0.221 -0.036 -0.002 -0.006 137 GLN AAA N   
1109 C  CA  . GLN A 136 ? 0.036 0.121 0.223 -0.015 -0.019 -0.014 137 GLN AAA CA  
1110 C  C   . GLN A 136 ? 0.015 0.121 0.214 0.011  -0.009 -0.005 137 GLN AAA C   
1111 O  O   . GLN A 136 ? 0.063 0.115 0.234 -0.001 0.000  -0.019 137 GLN AAA O   
1112 C  CB  . GLN A 136 ? 0.046 0.127 0.268 -0.012 -0.020 0.013  137 GLN AAA CB  
1113 C  CG  . GLN A 136 ? 0.133 0.149 0.282 -0.013 -0.015 0.016  137 GLN AAA CG  
1114 C  CD  . GLN A 136 ? 0.105 0.128 0.368 -0.026 -0.018 0.031  137 GLN AAA CD  
1115 O  OE1 . GLN A 136 ? 0.241 0.232 0.391 0.007  -0.111 -0.127 137 GLN AAA OE1 
1116 N  NE2 . GLN A 136 ? 0.212 0.297 0.542 -0.034 -0.039 0.215  137 GLN AAA NE2 
1117 N  N   . PRO A 137 ? 0.026 0.145 0.210 -0.014 0.001  0.004  138 PRO AAA N   
1118 C  CA  A PRO A 137 ? 0.060 0.133 0.234 -0.000 -0.008 0.017  138 PRO AAA CA  
1119 C  C   . PRO A 137 ? 0.064 0.119 0.262 -0.025 0.020  0.004  138 PRO AAA C   
1120 O  O   . PRO A 137 ? 0.079 0.140 0.358 -0.025 0.009  -0.015 138 PRO AAA O   
1121 C  CB  A PRO A 137 ? 0.080 0.186 0.242 0.020  -0.017 0.032  138 PRO AAA CB  
1122 C  CG  A PRO A 137 ? 0.276 0.228 0.248 -0.017 -0.017 -0.003 138 PRO AAA CG  
1123 C  CD  A PRO A 137 ? 0.099 0.193 0.218 -0.025 -0.015 -0.016 138 PRO AAA CD  
1124 N  N   . ASP A 138 ? 0.047 0.132 0.221 -0.036 -0.017 -0.013 139 ASP AAA N   
1125 C  CA  . ASP A 138 ? 0.033 0.138 0.226 -0.023 -0.001 -0.001 139 ASP AAA CA  
1126 C  C   . ASP A 138 ? 0.013 0.139 0.203 -0.030 0.006  -0.006 139 ASP AAA C   
1127 O  O   . ASP A 138 ? 0.026 0.169 0.257 0.004  0.002  0.022  139 ASP AAA O   
1128 C  CB  . ASP A 138 ? 0.074 0.198 0.218 -0.034 0.003  -0.013 139 ASP AAA CB  
1129 C  CG  . ASP A 138 ? 0.082 0.188 0.270 0.009  -0.018 -0.043 139 ASP AAA CG  
1130 O  OD1 . ASP A 138 ? 0.112 0.144 0.340 -0.001 -0.004 -0.008 139 ASP AAA OD1 
1131 O  OD2 . ASP A 138 ? 0.159 0.247 0.363 0.038  0.023  -0.082 139 ASP AAA OD2 
1132 N  N   . GLY A 139 ? 0.026 0.110 0.202 -0.016 0.003  -0.012 140 GLY AAA N   
1133 C  CA  . GLY A 139 ? 0.007 0.116 0.209 -0.010 -0.006 -0.006 140 GLY AAA CA  
1134 C  C   . GLY A 139 ? 0.008 0.089 0.193 -0.007 -0.004 0.008  140 GLY AAA C   
1135 O  O   . GLY A 139 ? 0.028 0.084 0.223 -0.010 -0.019 -0.002 140 GLY AAA O   
1136 N  N   . LEU A 140 ? 0.007 0.088 0.225 -0.005 -0.002 0.014  141 LEU AAA N   
1137 C  CA  . LEU A 140 ? 0.009 0.074 0.271 0.013  -0.003 0.009  141 LEU AAA CA  
1138 C  C   . LEU A 140 ? 0.007 0.100 0.188 0.006  0.002  -0.019 141 LEU AAA C   
1139 O  O   . LEU A 140 ? 0.007 0.105 0.196 -0.004 -0.004 -0.018 141 LEU AAA O   
1140 C  CB  . LEU A 140 ? 0.009 0.111 0.295 0.015  -0.017 -0.016 141 LEU AAA CB  
1141 C  CG  . LEU A 140 ? 0.035 0.187 0.283 0.060  0.035  0.032  141 LEU AAA CG  
1142 C  CD1 . LEU A 140 ? 0.013 0.155 0.264 0.032  0.002  0.018  141 LEU AAA CD1 
1143 C  CD2 . LEU A 140 ? 0.168 0.140 0.372 0.064  0.143  0.049  141 LEU AAA CD2 
1144 N  N   . ALA A 141 ? 0.008 0.098 0.199 0.004  -0.019 0.010  142 ALA AAA N   
1145 C  CA  . ALA A 141 ? 0.008 0.087 0.207 0.002  -0.020 0.007  142 ALA AAA CA  
1146 C  C   . ALA A 141 ? 0.006 0.096 0.176 0.000  0.001  0.016  142 ALA AAA C   
1147 O  O   . ALA A 141 ? 0.015 0.099 0.192 -0.004 -0.018 0.010  142 ALA AAA O   
1148 C  CB  . ALA A 141 ? 0.007 0.092 0.241 -0.005 -0.005 -0.001 142 ALA AAA CB  
1149 N  N   . VAL A 142 ? 0.008 0.086 0.207 0.002  -0.017 0.005  143 VAL AAA N   
1150 C  CA  . VAL A 142 ? 0.009 0.090 0.203 0.015  -0.007 0.009  143 VAL AAA CA  
1151 C  C   . VAL A 142 ? 0.030 0.076 0.174 0.008  -0.014 -0.005 143 VAL AAA C   
1152 O  O   . VAL A 142 ? 0.011 0.105 0.172 0.000  -0.013 0.001  143 VAL AAA O   
1153 C  CB  . VAL A 142 ? 0.014 0.093 0.213 0.018  -0.027 -0.000 143 VAL AAA CB  
1154 C  CG1 . VAL A 142 ? 0.010 0.119 0.216 0.019  -0.006 -0.021 143 VAL AAA CG1 
1155 C  CG2 . VAL A 142 ? 0.007 0.126 0.230 0.005  -0.007 0.005  143 VAL AAA CG2 
1156 N  N   . LEU A 143 ? 0.007 0.098 0.188 0.002  -0.011 0.007  144 LEU AAA N   
1157 C  CA  . LEU A 143 ? 0.008 0.117 0.202 -0.013 -0.006 -0.009 144 LEU AAA CA  
1158 C  C   . LEU A 143 ? 0.015 0.111 0.181 -0.030 -0.001 0.006  144 LEU AAA C   
1159 O  O   . LEU A 143 ? 0.030 0.113 0.192 -0.013 -0.009 0.003  144 LEU AAA O   
1160 C  CB  . LEU A 143 ? 0.011 0.158 0.193 -0.001 -0.003 0.013  144 LEU AAA CB  
1161 C  CG  . LEU A 143 ? 0.010 0.134 0.261 -0.002 -0.007 -0.000 144 LEU AAA CG  
1162 C  CD1 . LEU A 143 ? 0.011 0.224 0.311 -0.019 -0.033 0.023  144 LEU AAA CD1 
1163 C  CD2 . LEU A 143 ? 0.014 0.190 0.261 -0.001 -0.025 -0.007 144 LEU AAA CD2 
1164 N  N   . GLY A 144 ? 0.013 0.112 0.170 -0.025 -0.011 0.001  145 GLY AAA N   
1165 C  CA  . GLY A 144 ? 0.008 0.111 0.191 -0.010 -0.008 -0.008 145 GLY AAA CA  
1166 C  C   . GLY A 144 ? 0.006 0.106 0.181 0.001  -0.002 0.006  145 GLY AAA C   
1167 O  O   . GLY A 144 ? 0.032 0.120 0.176 -0.016 0.011  0.001  145 GLY AAA O   
1168 N  N   . ILE A 145 ? 0.007 0.088 0.182 -0.005 -0.007 0.003  146 ILE AAA N   
1169 C  CA  . ILE A 145 ? 0.008 0.081 0.203 -0.012 -0.009 0.015  146 ILE AAA CA  
1170 C  C   . ILE A 145 ? 0.010 0.086 0.183 -0.009 -0.023 0.001  146 ILE AAA C   
1171 O  O   . ILE A 145 ? 0.011 0.099 0.188 -0.016 -0.003 -0.004 146 ILE AAA O   
1172 C  CB  . ILE A 145 ? 0.008 0.099 0.210 -0.011 -0.007 0.013  146 ILE AAA CB  
1173 C  CG1 . ILE A 145 ? 0.008 0.132 0.262 0.013  -0.013 -0.003 146 ILE AAA CG1 
1174 C  CG2 . ILE A 145 ? 0.015 0.147 0.308 -0.002 -0.051 -0.004 146 ILE AAA CG2 
1175 C  CD1 . ILE A 145 ? 0.016 0.110 0.244 0.012  -0.004 0.007  146 ILE AAA CD1 
1176 N  N   . PHE A 146 ? 0.007 0.089 0.188 -0.001 0.012  0.005  147 PHE AAA N   
1177 C  CA  . PHE A 146 ? 0.007 0.098 0.194 0.006  -0.002 -0.007 147 PHE AAA CA  
1178 C  C   . PHE A 146 ? 0.008 0.116 0.196 -0.015 0.000  0.001  147 PHE AAA C   
1179 O  O   . PHE A 146 ? 0.009 0.129 0.216 -0.017 -0.003 -0.009 147 PHE AAA O   
1180 C  CB  . PHE A 146 ? 0.010 0.109 0.190 0.018  -0.011 0.001  147 PHE AAA CB  
1181 C  CG  . PHE A 146 ? 0.019 0.095 0.181 -0.001 -0.012 -0.003 147 PHE AAA CG  
1182 C  CD1 . PHE A 146 ? 0.020 0.096 0.206 0.001  -0.001 -0.020 147 PHE AAA CD1 
1183 C  CD2 . PHE A 146 ? 0.009 0.102 0.195 -0.015 -0.009 0.019  147 PHE AAA CD2 
1184 C  CE1 . PHE A 146 ? 0.028 0.107 0.193 -0.005 -0.002 -0.008 147 PHE AAA CE1 
1185 C  CE2 . PHE A 146 ? 0.022 0.110 0.192 -0.006 -0.003 0.008  147 PHE AAA CE2 
1186 C  CZ  . PHE A 146 ? 0.016 0.114 0.180 -0.010 -0.035 0.005  147 PHE AAA CZ  
1187 N  N   . LEU A 147 ? 0.008 0.103 0.209 -0.013 0.000  -0.008 148 LEU AAA N   
1188 C  CA  . LEU A 147 ? 0.018 0.111 0.204 0.003  -0.010 -0.008 148 LEU AAA CA  
1189 C  C   . LEU A 147 ? 0.013 0.109 0.187 -0.025 -0.001 -0.002 148 LEU AAA C   
1190 O  O   . LEU A 147 ? 0.025 0.098 0.239 -0.014 -0.016 0.005  148 LEU AAA O   
1191 C  CB  . LEU A 147 ? 0.013 0.114 0.222 -0.023 -0.015 -0.005 148 LEU AAA CB  
1192 C  CG  . LEU A 147 ? 0.017 0.091 0.245 -0.029 -0.003 -0.001 148 LEU AAA CG  
1193 C  CD1 . LEU A 147 ? 0.088 0.082 0.242 -0.020 -0.037 0.011  148 LEU AAA CD1 
1194 C  CD2 . LEU A 147 ? 0.025 0.123 0.244 -0.018 -0.017 0.004  148 LEU AAA CD2 
1195 N  N   . LYS A 148 ? 0.011 0.113 0.229 -0.020 -0.016 -0.002 149 LYS AAA N   
1196 C  CA  . LYS A 148 ? 0.053 0.120 0.215 -0.014 -0.040 0.012  149 LYS AAA CA  
1197 C  C   . LYS A 148 ? 0.066 0.112 0.227 -0.015 -0.036 -0.012 149 LYS AAA C   
1198 O  O   . LYS A 148 ? 0.061 0.162 0.254 0.015  -0.040 -0.023 149 LYS AAA O   
1199 C  CB  . LYS A 148 ? 0.098 0.151 0.219 -0.010 -0.033 0.016  149 LYS AAA CB  
1200 C  CG  . LYS A 148 ? 0.111 0.183 0.260 0.001  0.005  -0.004 149 LYS AAA CG  
1201 C  CD  . LYS A 148 ? 0.194 0.276 0.317 -0.036 0.062  0.028  149 LYS AAA CD  
1202 C  CE  . LYS A 148 ? 0.194 0.394 0.443 -0.091 0.102  0.071  149 LYS AAA CE  
1203 N  NZ  . LYS A 148 ? 0.517 0.499 0.523 -0.149 0.196  0.096  149 LYS AAA NZ  
1204 N  N   . VAL A 149 ? 0.122 0.087 0.231 -0.011 -0.042 -0.002 150 VAL AAA N   
1205 C  CA  . VAL A 149 ? 0.157 0.103 0.271 -0.007 -0.075 -0.011 150 VAL AAA CA  
1206 C  C   . VAL A 149 ? 0.184 0.169 0.259 -0.057 -0.080 -0.015 150 VAL AAA C   
1207 O  O   . VAL A 149 ? 0.234 0.164 0.297 -0.073 -0.067 0.018  150 VAL AAA O   
1208 C  CB  . VAL A 149 ? 0.184 0.126 0.271 0.019  -0.048 -0.008 150 VAL AAA CB  
1209 C  CG1 . VAL A 149 ? 0.156 0.237 0.282 -0.018 -0.054 -0.025 150 VAL AAA CG1 
1210 C  CG2 . VAL A 149 ? 0.143 0.177 0.311 0.038  -0.042 -0.006 150 VAL AAA CG2 
1211 N  N   . GLY A 150 ? 0.123 0.135 0.263 -0.057 -0.033 -0.000 151 GLY AAA N   
1212 C  CA  . GLY A 150 ? 0.168 0.184 0.308 -0.105 -0.052 0.007  151 GLY AAA CA  
1213 C  C   . GLY A 150 ? 0.113 0.209 0.295 -0.061 -0.030 -0.003 151 GLY AAA C   
1214 O  O   . GLY A 150 ? 0.137 0.225 0.309 -0.099 -0.001 -0.013 151 GLY AAA O   
1215 N  N   . SER A 151 ? 0.118 0.181 0.274 -0.074 -0.009 -0.017 152 SER AAA N   
1216 C  CA  A SER A 151 ? 0.106 0.202 0.277 -0.059 0.005  -0.010 152 SER AAA CA  
1217 C  CA  B SER A 151 ? 0.130 0.216 0.244 -0.063 0.013  -0.009 152 SER AAA CA  
1218 C  C   . SER A 151 ? 0.095 0.187 0.230 -0.060 -0.008 -0.030 152 SER AAA C   
1219 O  O   . SER A 151 ? 0.107 0.231 0.247 -0.073 -0.026 -0.018 152 SER AAA O   
1220 C  CB  A SER A 151 ? 0.116 0.249 0.357 -0.070 0.044  -0.008 152 SER AAA CB  
1221 C  CB  B SER A 151 ? 0.151 0.320 0.313 -0.067 0.063  -0.021 152 SER AAA CB  
1222 O  OG  A SER A 151 ? 0.112 0.243 0.453 -0.053 0.013  0.047  152 SER AAA OG  
1223 O  OG  B SER A 151 ? 0.195 0.466 0.301 0.004  0.096  -0.066 152 SER AAA OG  
1224 N  N   . ALA A 152 ? 0.109 0.194 0.234 -0.059 -0.030 -0.030 153 ALA AAA N   
1225 C  CA  . ALA A 152 ? 0.056 0.201 0.263 -0.058 -0.035 -0.013 153 ALA AAA CA  
1226 C  C   . ALA A 152 ? 0.038 0.200 0.267 -0.045 -0.028 -0.002 153 ALA AAA C   
1227 O  O   . ALA A 152 ? 0.060 0.190 0.319 -0.042 -0.001 0.008  153 ALA AAA O   
1228 C  CB  . ALA A 152 ? 0.102 0.230 0.253 -0.060 -0.048 -0.001 153 ALA AAA CB  
1229 N  N   . LYS A 153 ? 0.049 0.178 0.275 -0.032 -0.027 0.001  154 LYS AAA N   
1230 C  CA  . LYS A 153 ? 0.019 0.221 0.257 -0.035 0.014  -0.001 154 LYS AAA CA  
1231 C  C   . LYS A 153 ? 0.069 0.238 0.236 -0.031 -0.009 -0.021 154 LYS AAA C   
1232 O  O   . LYS A 153 ? 0.033 0.203 0.256 -0.019 -0.032 -0.001 154 LYS AAA O   
1233 C  CB  . LYS A 153 ? 0.042 0.205 0.247 -0.020 -0.043 0.014  154 LYS AAA CB  
1234 C  CG  . LYS A 153 ? 0.054 0.181 0.322 -0.044 -0.049 0.005  154 LYS AAA CG  
1235 C  CD  . LYS A 153 ? 0.106 0.194 0.279 -0.007 -0.030 -0.003 154 LYS AAA CD  
1236 C  CE  . LYS A 153 ? 0.097 0.225 0.248 -0.005 -0.021 0.015  154 LYS AAA CE  
1237 N  NZ  . LYS A 153 ? 0.121 0.304 0.317 -0.041 0.016  0.004  154 LYS AAA NZ  
1238 N  N   . PRO A 154 ? 0.053 0.245 0.283 -0.062 -0.009 0.009  155 PRO AAA N   
1239 C  CA  . PRO A 154 ? 0.022 0.294 0.315 -0.054 -0.030 0.056  155 PRO AAA CA  
1240 C  C   . PRO A 154 ? 0.032 0.262 0.277 -0.008 -0.025 0.003  155 PRO AAA C   
1241 O  O   . PRO A 154 ? 0.056 0.352 0.311 -0.007 -0.050 0.051  155 PRO AAA O   
1242 C  CB  . PRO A 154 ? 0.026 0.339 0.460 -0.076 -0.044 0.054  155 PRO AAA CB  
1243 C  CG  . PRO A 154 ? 0.100 0.425 0.398 -0.083 -0.044 0.076  155 PRO AAA CG  
1244 C  CD  . PRO A 154 ? 0.092 0.218 0.306 -0.037 0.021  0.044  155 PRO AAA CD  
1245 N  N   . GLY A 155 ? 0.036 0.228 0.291 0.011  -0.018 0.035  156 GLY AAA N   
1246 C  CA  . GLY A 155 ? 0.059 0.216 0.292 0.028  0.009  0.044  156 GLY AAA CA  
1247 C  C   . GLY A 155 ? 0.063 0.190 0.286 -0.008 0.006  0.027  156 GLY AAA C   
1248 O  O   . GLY A 155 ? 0.076 0.200 0.406 -0.040 -0.025 0.034  156 GLY AAA O   
1249 N  N   . LEU A 156 ? 0.031 0.181 0.293 -0.034 -0.009 0.002  157 LEU AAA N   
1250 C  CA  . LEU A 156 ? 0.033 0.196 0.277 -0.062 -0.034 -0.014 157 LEU AAA CA  
1251 C  C   . LEU A 156 ? 0.034 0.167 0.269 -0.041 -0.055 0.005  157 LEU AAA C   
1252 O  O   . LEU A 156 ? 0.032 0.171 0.281 -0.038 -0.051 0.007  157 LEU AAA O   
1253 C  CB  . LEU A 156 ? 0.039 0.179 0.270 -0.046 -0.013 -0.007 157 LEU AAA CB  
1254 C  CG  . LEU A 156 ? 0.041 0.242 0.292 -0.082 -0.057 0.045  157 LEU AAA CG  
1255 C  CD1 . LEU A 156 ? 0.020 0.207 0.301 -0.034 -0.028 0.009  157 LEU AAA CD1 
1256 C  CD2 . LEU A 156 ? 0.050 0.228 0.304 -0.030 -0.024 0.006  157 LEU AAA CD2 
1257 N  N   . GLN A 157 ? 0.034 0.192 0.296 -0.065 -0.040 -0.002 158 GLN AAA N   
1258 C  CA  . GLN A 157 ? 0.055 0.183 0.285 -0.044 -0.042 -0.010 158 GLN AAA CA  
1259 C  C   . GLN A 157 ? 0.050 0.214 0.233 -0.041 -0.043 -0.007 158 GLN AAA C   
1260 O  O   . GLN A 157 ? 0.045 0.193 0.279 -0.045 -0.039 0.003  158 GLN AAA O   
1261 C  CB  . GLN A 157 ? 0.040 0.224 0.360 -0.060 -0.051 -0.001 158 GLN AAA CB  
1262 C  CG  . GLN A 157 ? 0.075 0.251 0.342 -0.062 -0.069 0.013  158 GLN AAA CG  
1263 C  CD  . GLN A 157 ? 0.076 0.186 0.265 -0.058 -0.051 0.014  158 GLN AAA CD  
1264 O  OE1 . GLN A 157 ? 0.095 0.205 0.256 -0.032 -0.028 0.002  158 GLN AAA OE1 
1265 N  NE2 . GLN A 157 ? 0.193 0.260 0.278 -0.059 -0.037 -0.024 158 GLN AAA NE2 
1266 N  N   . LYS A 158 ? 0.018 0.233 0.274 -0.005 -0.035 -0.000 159 LYS AAA N   
1267 C  CA  . LYS A 158 ? 0.086 0.199 0.257 -0.016 -0.074 -0.003 159 LYS AAA CA  
1268 C  C   . LYS A 158 ? 0.070 0.190 0.248 -0.005 -0.032 0.007  159 LYS AAA C   
1269 O  O   . LYS A 158 ? 0.081 0.234 0.252 -0.027 -0.047 0.020  159 LYS AAA O   
1270 C  CB  . LYS A 158 ? 0.127 0.248 0.311 0.005  -0.050 -0.046 159 LYS AAA CB  
1271 C  CG  . LYS A 158 ? 0.082 0.427 0.484 -0.001 -0.054 0.007  159 LYS AAA CG  
1272 C  CD  . LYS A 158 ? 0.331 0.496 0.634 0.159  -0.108 -0.059 159 LYS AAA CD  
1273 C  CE  . LYS A 158 ? 0.607 0.549 0.606 0.184  -0.182 -0.227 159 LYS AAA CE  
1274 N  NZ  . LYS A 158 ? 1.122 0.550 0.539 0.308  -0.248 -0.237 159 LYS AAA NZ  
1275 N  N   . VAL A 159 ? 0.014 0.170 0.272 -0.016 -0.019 -0.010 160 VAL AAA N   
1276 C  CA  . VAL A 159 ? 0.023 0.146 0.239 -0.041 -0.027 0.002  160 VAL AAA CA  
1277 C  C   . VAL A 159 ? 0.015 0.175 0.256 -0.034 -0.021 -0.004 160 VAL AAA C   
1278 O  O   . VAL A 159 ? 0.034 0.177 0.282 -0.026 -0.008 -0.003 160 VAL AAA O   
1279 C  CB  . VAL A 159 ? 0.025 0.173 0.238 -0.044 -0.005 -0.001 160 VAL AAA CB  
1280 C  CG1 . VAL A 159 ? 0.028 0.195 0.261 -0.035 -0.014 -0.015 160 VAL AAA CG1 
1281 C  CG2 . VAL A 159 ? 0.123 0.154 0.238 -0.015 -0.026 0.013  160 VAL AAA CG2 
1282 N  N   . VAL A 160 ? 0.065 0.171 0.236 -0.039 -0.024 -0.005 161 VAL AAA N   
1283 C  CA  . VAL A 160 ? 0.087 0.215 0.281 -0.026 0.021  -0.022 161 VAL AAA CA  
1284 C  C   . VAL A 160 ? 0.118 0.159 0.264 -0.045 0.013  -0.015 161 VAL AAA C   
1285 O  O   . VAL A 160 ? 0.137 0.213 0.270 -0.058 0.041  -0.031 161 VAL AAA O   
1286 C  CB  . VAL A 160 ? 0.207 0.158 0.346 0.026  0.026  0.025  161 VAL AAA CB  
1287 C  CG1 . VAL A 160 ? 0.134 0.234 0.348 -0.027 -0.037 -0.042 161 VAL AAA CG1 
1288 C  CG2 . VAL A 160 ? 0.232 0.210 0.359 0.052  0.033  0.022  161 VAL AAA CG2 
1289 N  N   . ASP A 161 ? 0.139 0.228 0.259 -0.071 -0.037 -0.012 162 ASP AAA N   
1290 C  CA  . ASP A 161 ? 0.205 0.252 0.268 -0.076 -0.042 -0.014 162 ASP AAA CA  
1291 C  C   . ASP A 161 ? 0.229 0.236 0.220 -0.074 -0.031 -0.030 162 ASP AAA C   
1292 O  O   . ASP A 161 ? 0.382 0.332 0.249 -0.153 0.012  -0.082 162 ASP AAA O   
1293 C  CB  . ASP A 161 ? 0.209 0.515 0.250 -0.098 -0.065 0.006  162 ASP AAA CB  
1294 C  CG  . ASP A 161 ? 0.718 0.540 0.512 -0.235 -0.088 -0.056 162 ASP AAA CG  
1295 O  OD1 . ASP A 161 ? 0.522 0.671 0.479 -0.181 -0.027 0.108  162 ASP AAA OD1 
1296 O  OD2 . ASP A 161 ? 0.596 1.148 0.606 -0.378 0.062  0.105  162 ASP AAA OD2 
1297 N  N   . VAL A 162 ? 0.072 0.196 0.202 -0.026 -0.026 -0.019 163 VAL AAA N   
1298 C  CA  . VAL A 162 ? 0.078 0.226 0.226 -0.040 -0.034 0.023  163 VAL AAA CA  
1299 C  C   . VAL A 162 ? 0.090 0.182 0.243 -0.035 -0.033 0.013  163 VAL AAA C   
1300 O  O   . VAL A 162 ? 0.073 0.187 0.259 -0.013 -0.012 0.015  163 VAL AAA O   
1301 C  CB  . VAL A 162 ? 0.042 0.228 0.329 -0.025 -0.045 0.023  163 VAL AAA CB  
1302 C  CG1 . VAL A 162 ? 0.113 0.235 0.304 -0.090 0.026  -0.023 163 VAL AAA CG1 
1303 C  CG2 . VAL A 162 ? 0.133 0.330 0.373 -0.019 -0.009 0.064  163 VAL AAA CG2 
1304 N  N   . LEU A 163 ? 0.069 0.172 0.255 -0.015 -0.020 0.006  164 LEU AAA N   
1305 C  CA  . LEU A 163 ? 0.052 0.199 0.232 -0.023 -0.002 0.001  164 LEU AAA CA  
1306 C  C   . LEU A 163 ? 0.071 0.198 0.236 0.025  -0.014 -0.012 164 LEU AAA C   
1307 O  O   . LEU A 163 ? 0.061 0.227 0.245 0.017  -0.008 0.018  164 LEU AAA O   
1308 C  CB  . LEU A 163 ? 0.091 0.199 0.241 -0.010 -0.022 -0.012 164 LEU AAA CB  
1309 C  CG  . LEU A 163 ? 0.078 0.175 0.241 0.002  -0.003 0.020  164 LEU AAA CG  
1310 C  CD1 . LEU A 163 ? 0.079 0.203 0.286 0.031  -0.014 0.032  164 LEU AAA CD1 
1311 C  CD2 . LEU A 163 ? 0.059 0.192 0.221 0.030  -0.028 0.000  164 LEU AAA CD2 
1312 N  N   . ASP A 164 ? 0.163 0.207 0.259 -0.015 0.006  -0.027 165 ASP AAA N   
1313 C  CA  . ASP A 164 ? 0.237 0.269 0.293 -0.028 0.040  -0.060 165 ASP AAA CA  
1314 C  C   . ASP A 164 ? 0.152 0.264 0.255 0.016  0.004  -0.030 165 ASP AAA C   
1315 O  O   . ASP A 164 ? 0.281 0.298 0.395 0.071  0.145  0.027  165 ASP AAA O   
1316 C  CB  . ASP A 164 ? 0.408 0.341 0.281 -0.094 0.053  -0.140 165 ASP AAA CB  
1317 C  CG  . ASP A 164 ? 0.447 0.438 0.706 -0.178 -0.048 -0.037 165 ASP AAA CG  
1318 O  OD1 . ASP A 164 ? 0.404 0.973 1.007 -0.094 -0.121 0.050  165 ASP AAA OD1 
1319 O  OD2 . ASP A 164 ? 0.472 0.669 0.966 -0.266 0.004  -0.228 165 ASP AAA OD2 
1320 N  N   . SER A 165 ? 0.045 0.263 0.249 0.007  -0.023 -0.004 166 SER AAA N   
1321 C  CA  . SER A 165 ? 0.083 0.281 0.253 -0.010 -0.008 0.009  166 SER AAA CA  
1322 C  C   . SER A 165 ? 0.065 0.232 0.217 -0.001 0.019  0.014  166 SER AAA C   
1323 O  O   . SER A 165 ? 0.080 0.253 0.277 0.014  0.002  0.061  166 SER AAA O   
1324 C  CB  . SER A 165 ? 0.082 0.300 0.293 -0.012 -0.012 0.020  166 SER AAA CB  
1325 O  OG  . SER A 165 ? 0.114 0.270 0.304 0.006  -0.032 0.040  166 SER AAA OG  
1326 N  N   . ILE A 166 ? 0.059 0.167 0.211 -0.001 -0.004 -0.004 167 ILE AAA N   
1327 C  CA  . ILE A 166 ? 0.030 0.172 0.229 0.005  0.004  -0.004 167 ILE AAA CA  
1328 C  C   . ILE A 166 ? 0.050 0.164 0.206 0.006  0.018  -0.005 167 ILE AAA C   
1329 O  O   . ILE A 166 ? 0.055 0.165 0.202 0.005  -0.003 -0.002 167 ILE AAA O   
1330 C  CB  . ILE A 166 ? 0.023 0.157 0.226 0.012  -0.018 -0.006 167 ILE AAA CB  
1331 C  CG1 . ILE A 166 ? 0.065 0.189 0.216 0.013  -0.017 -0.000 167 ILE AAA CG1 
1332 C  CG2 . ILE A 166 ? 0.024 0.175 0.273 0.034  -0.000 -0.003 167 ILE AAA CG2 
1333 C  CD1 . ILE A 166 ? 0.022 0.216 0.250 0.041  -0.001 -0.020 167 ILE AAA CD1 
1334 N  N   . LYS A 167 ? 0.074 0.164 0.216 0.015  0.015  -0.016 168 LYS AAA N   
1335 C  CA  . LYS A 167 ? 0.028 0.138 0.259 -0.001 0.009  -0.018 168 LYS AAA CA  
1336 C  C   . LYS A 167 ? 0.040 0.134 0.221 -0.011 0.016  0.003  168 LYS AAA C   
1337 O  O   . LYS A 167 ? 0.059 0.142 0.218 -0.010 0.000  0.008  168 LYS AAA O   
1338 C  CB  . LYS A 167 ? 0.091 0.204 0.243 0.005  -0.016 -0.025 168 LYS AAA CB  
1339 C  CG  . LYS A 167 ? 0.091 0.223 0.285 0.017  -0.016 -0.022 168 LYS AAA CG  
1340 C  CD  . LYS A 167 ? 0.169 0.284 0.354 -0.036 0.012  -0.089 168 LYS AAA CD  
1341 C  CE  . LYS A 167 ? 0.342 0.393 0.472 0.067  0.020  -0.109 168 LYS AAA CE  
1342 N  NZ  . LYS A 167 ? 0.337 0.543 0.483 0.022  0.026  -0.182 168 LYS AAA NZ  
1343 N  N   . THR A 168 ? 0.030 0.128 0.226 0.002  -0.012 0.015  169 THR AAA N   
1344 C  CA  . THR A 168 ? 0.024 0.156 0.229 -0.012 0.006  0.010  169 THR AAA CA  
1345 C  C   . THR A 168 ? 0.026 0.140 0.204 0.002  0.001  0.013  169 THR AAA C   
1346 O  O   . THR A 168 ? 0.034 0.159 0.232 0.015  0.005  0.014  169 THR AAA O   
1347 C  CB  . THR A 168 ? 0.062 0.169 0.256 0.014  0.025  0.015  169 THR AAA CB  
1348 O  OG1 . THR A 168 ? 0.066 0.229 0.264 0.045  0.020  0.042  169 THR AAA OG1 
1349 C  CG2 . THR A 168 ? 0.090 0.157 0.279 -0.000 0.033  0.015  169 THR AAA CG2 
1350 N  N   . LYS A 169 ? 0.036 0.162 0.204 0.005  -0.004 0.007  170 LYS AAA N   
1351 C  CA  A LYS A 169 ? 0.046 0.153 0.215 -0.003 0.025  0.010  170 LYS AAA CA  
1352 C  C   . LYS A 169 ? 0.029 0.171 0.205 0.006  0.019  0.019  170 LYS AAA C   
1353 O  O   . LYS A 169 ? 0.091 0.220 0.202 0.018  0.039  0.009  170 LYS AAA O   
1354 C  CB  A LYS A 169 ? 0.042 0.178 0.239 0.000  0.030  0.013  170 LYS AAA CB  
1355 C  CG  A LYS A 169 ? 0.066 0.172 0.300 -0.015 0.000  0.030  170 LYS AAA CG  
1356 C  CD  A LYS A 169 ? 0.072 0.303 0.320 0.020  -0.006 0.067  170 LYS AAA CD  
1357 C  CE  A LYS A 169 ? 0.151 0.436 0.356 -0.005 -0.007 0.009  170 LYS AAA CE  
1358 N  NZ  A LYS A 169 ? 0.253 0.646 0.623 -0.094 -0.179 0.167  170 LYS AAA NZ  
1359 N  N   . GLY A 170 ? 0.016 0.158 0.260 0.007  0.020  0.019  171 GLY AAA N   
1360 C  CA  . GLY A 170 ? 0.044 0.148 0.298 0.007  -0.003 0.025  171 GLY AAA CA  
1361 C  C   . GLY A 170 ? 0.042 0.159 0.289 -0.022 0.003  0.048  171 GLY AAA C   
1362 O  O   . GLY A 170 ? 0.165 0.170 0.346 0.012  0.012  0.064  171 GLY AAA O   
1363 N  N   . LYS A 171 ? 0.022 0.162 0.255 -0.024 0.015  0.036  172 LYS AAA N   
1364 C  CA  A LYS A 171 ? 0.027 0.212 0.244 0.012  0.019  0.035  172 LYS AAA CA  
1365 C  CA  B LYS A 171 ? 0.036 0.196 0.231 0.008  0.018  0.028  172 LYS AAA CA  
1366 C  C   . LYS A 171 ? 0.031 0.156 0.216 0.026  -0.001 0.034  172 LYS AAA C   
1367 O  O   . LYS A 171 ? 0.034 0.179 0.222 0.029  0.005  0.031  172 LYS AAA O   
1368 C  CB  A LYS A 171 ? 0.048 0.236 0.275 0.008  0.004  0.012  172 LYS AAA CB  
1369 C  CB  B LYS A 171 ? 0.062 0.212 0.258 0.001  0.004  0.008  172 LYS AAA CB  
1370 C  CG  A LYS A 171 ? 0.073 0.305 0.308 0.105  -0.004 0.015  172 LYS AAA CG  
1371 C  CG  B LYS A 171 ? 0.112 0.259 0.261 0.060  0.002  -0.011 172 LYS AAA CG  
1372 C  CD  A LYS A 171 ? 0.134 0.353 0.285 0.068  0.035  0.015  172 LYS AAA CD  
1373 C  CD  B LYS A 171 ? 0.189 0.227 0.220 0.045  0.019  -0.003 172 LYS AAA CD  
1374 C  CE  A LYS A 171 ? 0.218 0.379 0.277 0.101  0.058  0.011  172 LYS AAA CE  
1375 C  CE  B LYS A 171 ? 0.228 0.262 0.260 0.073  0.010  0.027  172 LYS AAA CE  
1376 N  NZ  A LYS A 171 ? 0.236 0.396 0.308 0.074  -0.019 -0.001 172 LYS AAA NZ  
1377 N  NZ  B LYS A 171 ? 0.394 0.364 0.207 0.014  0.072  -0.002 172 LYS AAA NZ  
1378 N  N   . SER A 172 ? 0.042 0.204 0.214 0.039  -0.003 0.043  173 SER AAA N   
1379 C  CA  . SER A 172 ? 0.040 0.213 0.213 0.028  0.001  0.035  173 SER AAA CA  
1380 C  C   . SER A 172 ? 0.065 0.206 0.194 0.016  0.004  0.039  173 SER AAA C   
1381 O  O   . SER A 172 ? 0.081 0.249 0.193 0.045  0.001  0.045  173 SER AAA O   
1382 C  CB  . SER A 172 ? 0.050 0.242 0.207 0.001  -0.004 0.003  173 SER AAA CB  
1383 O  OG  . SER A 172 ? 0.148 0.243 0.275 0.007  -0.006 0.041  173 SER AAA OG  
1384 N  N   . ALA A 173 ? 0.055 0.219 0.188 0.018  -0.000 0.035  174 ALA AAA N   
1385 C  CA  . ALA A 173 ? 0.051 0.206 0.227 0.012  -0.008 0.019  174 ALA AAA CA  
1386 C  C   . ALA A 173 ? 0.052 0.178 0.187 0.017  -0.019 0.039  174 ALA AAA C   
1387 O  O   . ALA A 173 ? 0.046 0.185 0.185 0.018  -0.025 0.025  174 ALA AAA O   
1388 C  CB  . ALA A 173 ? 0.090 0.209 0.254 0.025  -0.066 0.017  174 ALA AAA CB  
1389 N  N   . ASP A 174 ? 0.108 0.252 0.182 0.053  -0.035 0.047  175 ASP AAA N   
1390 C  CA  . ASP A 174 ? 0.112 0.308 0.245 0.063  -0.031 0.013  175 ASP AAA CA  
1391 C  C   . ASP A 174 ? 0.032 0.251 0.252 0.065  -0.050 -0.018 175 ASP AAA C   
1392 O  O   . ASP A 174 ? 0.068 0.281 0.309 0.047  -0.032 -0.039 175 ASP AAA O   
1393 C  CB  . ASP A 174 ? 0.185 0.400 0.391 0.181  -0.079 0.066  175 ASP AAA CB  
1394 C  CG  . ASP A 174 ? 0.332 0.526 0.562 -0.113 -0.175 0.047  175 ASP AAA CG  
1395 O  OD1 . ASP A 174 ? 0.231 0.601 0.506 -0.168 -0.140 0.099  175 ASP AAA OD1 
1396 O  OD2 . ASP A 174 ? 0.519 0.632 0.599 -0.050 -0.257 0.045  175 ASP AAA OD2 
1397 N  N   . PHE A 175 ? 0.022 0.184 0.268 0.024  -0.024 -0.016 176 PHE AAA N   
1398 C  CA  . PHE A 175 ? 0.042 0.204 0.240 0.003  -0.038 -0.019 176 PHE AAA CA  
1399 C  C   . PHE A 175 ? 0.029 0.201 0.231 -0.004 -0.011 0.033  176 PHE AAA C   
1400 O  O   . PHE A 175 ? 0.087 0.276 0.240 0.089  -0.057 -0.019 176 PHE AAA O   
1401 C  CB  . PHE A 175 ? 0.042 0.187 0.280 0.003  -0.032 0.012  176 PHE AAA CB  
1402 C  CG  . PHE A 175 ? 0.007 0.192 0.297 0.012  -0.005 0.008  176 PHE AAA CG  
1403 C  CD1 . PHE A 175 ? 0.090 0.212 0.256 0.002  0.028  -0.005 176 PHE AAA CD1 
1404 C  CD2 . PHE A 175 ? 0.076 0.176 0.262 0.004  -0.053 0.011  176 PHE AAA CD2 
1405 C  CE1 . PHE A 175 ? 0.071 0.221 0.295 0.036  0.012  0.003  176 PHE AAA CE1 
1406 C  CE2 . PHE A 175 ? 0.048 0.192 0.250 -0.013 -0.020 0.003  176 PHE AAA CE2 
1407 C  CZ  . PHE A 175 ? 0.083 0.191 0.266 0.016  0.007  -0.006 176 PHE AAA CZ  
1408 N  N   . THR A 176 ? 0.053 0.262 0.223 0.025  -0.006 0.049  177 THR AAA N   
1409 C  CA  . THR A 176 ? 0.033 0.217 0.254 0.013  -0.011 0.046  177 THR AAA CA  
1410 C  C   . THR A 176 ? 0.019 0.169 0.242 0.022  -0.032 0.032  177 THR AAA C   
1411 O  O   . THR A 176 ? 0.045 0.194 0.247 0.037  -0.028 0.015  177 THR AAA O   
1412 C  CB  . THR A 176 ? 0.011 0.245 0.280 0.033  0.011  0.070  177 THR AAA CB  
1413 O  OG1 . THR A 176 ? 0.221 0.313 0.272 0.085  -0.004 0.051  177 THR AAA OG1 
1414 C  CG2 . THR A 176 ? 0.050 0.293 0.372 -0.027 -0.026 0.069  177 THR AAA CG2 
1415 N  N   . ASN A 177 ? 0.032 0.197 0.232 -0.008 -0.021 0.005  178 ASN AAA N   
1416 C  CA  . ASN A 177 ? 0.023 0.224 0.250 -0.005 -0.015 0.033  178 ASN AAA CA  
1417 C  C   . ASN A 177 ? 0.007 0.226 0.240 0.006  -0.008 0.010  178 ASN AAA C   
1418 O  O   . ASN A 177 ? 0.072 0.256 0.322 -0.059 -0.077 0.070  178 ASN AAA O   
1419 C  CB  . ASN A 177 ? 0.021 0.257 0.271 0.025  -0.026 0.060  178 ASN AAA CB  
1420 C  CG  . ASN A 177 ? 0.061 0.256 0.277 0.031  -0.046 0.053  178 ASN AAA CG  
1421 O  OD1 . ASN A 177 ? 0.087 0.294 0.347 0.011  0.015  0.008  178 ASN AAA OD1 
1422 N  ND2 . ASN A 177 ? 0.084 0.221 0.262 -0.018 -0.050 0.042  178 ASN AAA ND2 
1423 N  N   . PHE A 178 ? 0.013 0.207 0.228 -0.009 -0.024 0.044  179 PHE AAA N   
1424 C  CA  . PHE A 178 ? 0.035 0.213 0.234 -0.054 -0.019 0.037  179 PHE AAA CA  
1425 C  C   . PHE A 178 ? 0.024 0.208 0.232 -0.029 -0.025 0.015  179 PHE AAA C   
1426 O  O   . PHE A 178 ? 0.076 0.201 0.232 -0.039 -0.019 0.021  179 PHE AAA O   
1427 C  CB  . PHE A 178 ? 0.054 0.208 0.236 -0.021 -0.009 0.040  179 PHE AAA CB  
1428 C  CG  . PHE A 178 ? 0.026 0.206 0.241 -0.033 -0.016 0.042  179 PHE AAA CG  
1429 C  CD1 . PHE A 178 ? 0.040 0.211 0.207 0.003  -0.038 0.013  179 PHE AAA CD1 
1430 C  CD2 . PHE A 178 ? 0.021 0.215 0.238 -0.041 -0.042 0.034  179 PHE AAA CD2 
1431 C  CE1 . PHE A 178 ? 0.059 0.208 0.261 -0.034 -0.026 0.025  179 PHE AAA CE1 
1432 C  CE2 . PHE A 178 ? 0.012 0.216 0.255 0.004  -0.036 0.042  179 PHE AAA CE2 
1433 C  CZ  . PHE A 178 ? 0.040 0.235 0.228 -0.026 -0.014 0.051  179 PHE AAA CZ  
1434 N  N   . ASP A 179 ? 0.029 0.234 0.230 -0.027 -0.017 0.022  180 ASP AAA N   
1435 C  CA  . ASP A 179 ? 0.029 0.205 0.233 -0.018 -0.026 0.021  180 ASP AAA CA  
1436 C  C   . ASP A 179 ? 0.047 0.218 0.218 -0.010 -0.030 0.011  180 ASP AAA C   
1437 O  O   . ASP A 179 ? 0.026 0.248 0.255 -0.014 -0.004 -0.003 180 ASP AAA O   
1438 C  CB  . ASP A 179 ? 0.027 0.268 0.276 -0.022 -0.035 0.039  180 ASP AAA CB  
1439 C  CG  . ASP A 179 ? 0.041 0.429 0.307 0.002  -0.022 0.030  180 ASP AAA CG  
1440 O  OD1 . ASP A 179 ? 0.049 0.292 0.277 0.041  0.023  0.044  180 ASP AAA OD1 
1441 O  OD2 . ASP A 179 ? 0.031 0.676 0.422 0.016  -0.027 -0.063 180 ASP AAA OD2 
1442 N  N   . PRO A 180 ? 0.019 0.191 0.204 0.001  -0.014 0.031  181 PRO AAA N   
1443 C  CA  . PRO A 180 ? 0.018 0.194 0.225 -0.000 -0.028 0.021  181 PRO AAA CA  
1444 C  C   . PRO A 180 ? 0.022 0.244 0.199 0.001  -0.029 0.040  181 PRO AAA C   
1445 O  O   . PRO A 180 ? 0.014 0.217 0.241 -0.024 -0.036 0.039  181 PRO AAA O   
1446 C  CB  . PRO A 180 ? 0.009 0.250 0.236 -0.016 -0.021 0.013  181 PRO AAA CB  
1447 C  CG  . PRO A 180 ? 0.052 0.224 0.254 -0.033 -0.024 0.038  181 PRO AAA CG  
1448 C  CD  . PRO A 180 ? 0.031 0.192 0.252 0.005  -0.011 0.023  181 PRO AAA CD  
1449 N  N   . ARG A 181 ? 0.024 0.210 0.227 -0.006 -0.005 0.028  182 ARG AAA N   
1450 C  CA  . ARG A 181 ? 0.032 0.215 0.226 0.009  0.003  0.022  182 ARG AAA CA  
1451 C  C   . ARG A 181 ? 0.021 0.205 0.213 0.011  -0.022 0.027  182 ARG AAA C   
1452 O  O   . ARG A 181 ? 0.079 0.243 0.251 -0.029 -0.017 0.045  182 ARG AAA O   
1453 C  CB  . ARG A 181 ? 0.034 0.213 0.244 0.014  0.022  0.031  182 ARG AAA CB  
1454 C  CG  . ARG A 181 ? 0.053 0.250 0.317 -0.031 0.027  -0.008 182 ARG AAA CG  
1455 C  CD  . ARG A 181 ? 0.112 0.258 0.317 0.042  0.076  -0.004 182 ARG AAA CD  
1456 N  NE  . ARG A 181 ? 0.108 0.294 0.345 0.045  0.027  0.066  182 ARG AAA NE  
1457 C  CZ  . ARG A 181 ? 0.160 0.429 0.427 0.140  -0.049 -0.043 182 ARG AAA CZ  
1458 N  NH1 . ARG A 181 ? 0.207 0.530 0.448 0.240  -0.007 0.021  182 ARG AAA NH1 
1459 N  NH2 . ARG A 181 ? 0.293 0.686 0.411 0.270  -0.067 -0.005 182 ARG AAA NH2 
1460 N  N   . GLY A 182 ? 0.055 0.226 0.215 0.011  -0.035 0.029  183 GLY AAA N   
1461 C  CA  . GLY A 182 ? 0.070 0.203 0.245 -0.018 -0.056 0.006  183 GLY AAA CA  
1462 C  C   . GLY A 182 ? 0.029 0.199 0.278 -0.031 -0.042 -0.005 183 GLY AAA C   
1463 O  O   . GLY A 182 ? 0.100 0.202 0.295 -0.032 -0.065 0.007  183 GLY AAA O   
1464 N  N   . LEU A 183 ? 0.024 0.174 0.232 -0.029 -0.030 0.013  184 LEU AAA N   
1465 C  CA  . LEU A 183 ? 0.027 0.166 0.239 -0.005 -0.010 -0.004 184 LEU AAA CA  
1466 C  C   . LEU A 183 ? 0.022 0.154 0.225 -0.023 -0.012 0.019  184 LEU AAA C   
1467 O  O   . LEU A 183 ? 0.070 0.187 0.253 0.016  -0.009 0.041  184 LEU AAA O   
1468 C  CB  . LEU A 183 ? 0.017 0.238 0.265 -0.022 -0.049 0.020  184 LEU AAA CB  
1469 C  CG  . LEU A 183 ? 0.039 0.215 0.276 -0.006 -0.033 0.042  184 LEU AAA CG  
1470 C  CD1 . LEU A 183 ? 0.069 0.272 0.288 -0.042 -0.047 0.094  184 LEU AAA CD1 
1471 C  CD2 . LEU A 183 ? 0.126 0.270 0.322 0.002  0.011  -0.015 184 LEU AAA CD2 
1472 N  N   . LEU A 184 ? 0.012 0.165 0.239 0.002  -0.017 0.020  185 LEU AAA N   
1473 C  CA  . LEU A 184 ? 0.011 0.170 0.246 0.004  -0.026 0.028  185 LEU AAA CA  
1474 C  C   . LEU A 184 ? 0.055 0.168 0.242 -0.015 -0.049 0.029  185 LEU AAA C   
1475 O  O   . LEU A 184 ? 0.138 0.286 0.300 -0.096 -0.123 0.096  185 LEU AAA O   
1476 C  CB  . LEU A 184 ? 0.045 0.182 0.225 -0.009 -0.000 0.015  185 LEU AAA CB  
1477 C  CG  . LEU A 184 ? 0.030 0.187 0.266 -0.000 -0.009 0.010  185 LEU AAA CG  
1478 C  CD1 . LEU A 184 ? 0.049 0.225 0.268 0.027  -0.022 0.025  185 LEU AAA CD1 
1479 C  CD2 . LEU A 184 ? 0.058 0.202 0.388 -0.027 -0.062 0.019  185 LEU AAA CD2 
1480 N  N   . PRO A 185 ? 0.033 0.172 0.227 -0.038 -0.038 0.024  186 PRO AAA N   
1481 C  CA  . PRO A 185 ? 0.044 0.140 0.255 -0.016 -0.022 0.007  186 PRO AAA CA  
1482 C  C   . PRO A 185 ? 0.022 0.159 0.267 -0.044 -0.030 0.009  186 PRO AAA C   
1483 O  O   . PRO A 185 ? 0.013 0.172 0.360 -0.023 -0.039 0.035  186 PRO AAA O   
1484 C  CB  . PRO A 185 ? 0.033 0.170 0.254 -0.019 0.008  0.048  186 PRO AAA CB  
1485 C  CG  . PRO A 185 ? 0.029 0.173 0.234 0.004  -0.012 0.025  186 PRO AAA CG  
1486 C  CD  . PRO A 185 ? 0.008 0.142 0.228 -0.001 -0.019 0.007  186 PRO AAA CD  
1487 N  N   . GLU A 186 ? 0.044 0.190 0.270 -0.065 -0.034 0.028  187 GLU AAA N   
1488 C  CA  A GLU A 186 ? 0.038 0.238 0.259 -0.037 -0.031 0.066  187 GLU AAA CA  
1489 C  CA  B GLU A 186 ? 0.044 0.220 0.275 -0.009 -0.037 0.052  187 GLU AAA CA  
1490 C  C   . GLU A 186 ? 0.040 0.212 0.259 -0.013 -0.006 0.046  187 GLU AAA C   
1491 O  O   . GLU A 186 ? 0.015 0.235 0.397 0.010  -0.012 0.064  187 GLU AAA O   
1492 C  CB  A GLU A 186 ? 0.051 0.255 0.360 -0.069 -0.051 0.060  187 GLU AAA CB  
1493 C  CB  B GLU A 186 ? 0.072 0.183 0.361 0.015  -0.021 -0.005 187 GLU AAA CB  
1494 C  CG  A GLU A 186 ? 0.227 0.262 0.306 0.011  -0.097 0.060  187 GLU AAA CG  
1495 C  CG  B GLU A 186 ? 0.093 0.198 0.357 0.061  0.007  -0.002 187 GLU AAA CG  
1496 C  CD  A GLU A 186 ? 0.139 0.303 0.416 -0.006 -0.055 0.047  187 GLU AAA CD  
1497 C  CD  B GLU A 186 ? 0.122 0.245 0.413 0.007  -0.030 0.033  187 GLU AAA CD  
1498 O  OE1 A GLU A 186 ? 0.067 0.166 0.436 -0.055 0.005  0.024  187 GLU AAA OE1 
1499 O  OE1 B GLU A 186 ? 0.255 0.232 0.544 -0.021 -0.037 0.005  187 GLU AAA OE1 
1500 O  OE2 A GLU A 186 ? 0.125 0.317 0.482 0.058  -0.038 -0.014 187 GLU AAA OE2 
1501 O  OE2 B GLU A 186 ? 0.139 0.247 0.422 0.055  -0.016 0.063  187 GLU AAA OE2 
1502 N  N   . SER A 187 ? 0.008 0.202 0.257 -0.002 -0.007 0.013  188 SER AAA N   
1503 C  CA  . SER A 187 ? 0.057 0.204 0.266 -0.027 0.032  0.023  188 SER AAA CA  
1504 C  C   . SER A 187 ? 0.008 0.249 0.287 -0.019 -0.006 -0.009 188 SER AAA C   
1505 O  O   . SER A 187 ? 0.023 0.266 0.260 -0.022 0.010  -0.005 188 SER AAA O   
1506 C  CB  . SER A 187 ? 0.036 0.238 0.273 -0.034 0.002  0.030  188 SER AAA CB  
1507 O  OG  . SER A 187 ? 0.093 0.219 0.268 -0.023 -0.016 0.010  188 SER AAA OG  
1508 N  N   . LEU A 188 ? 0.006 0.192 0.322 -0.005 0.002  -0.012 189 LEU AAA N   
1509 C  CA  . LEU A 188 ? 0.021 0.222 0.334 -0.054 -0.027 0.028  189 LEU AAA CA  
1510 C  C   . LEU A 188 ? 0.007 0.177 0.284 -0.007 0.002  0.010  189 LEU AAA C   
1511 O  O   . LEU A 188 ? 0.081 0.207 0.297 -0.067 -0.002 0.005  189 LEU AAA O   
1512 C  CB  . LEU A 188 ? 0.066 0.205 0.368 -0.072 -0.033 0.044  189 LEU AAA CB  
1513 C  CG  . LEU A 188 ? 0.050 0.238 0.378 -0.050 -0.063 0.067  189 LEU AAA CG  
1514 C  CD1 . LEU A 188 ? 0.129 0.232 0.496 -0.067 -0.063 0.071  189 LEU AAA CD1 
1515 C  CD2 . LEU A 188 ? 0.055 0.441 0.346 -0.067 -0.057 0.156  189 LEU AAA CD2 
1516 N  N   . ASP A 189 ? 0.006 0.179 0.256 0.002  -0.003 -0.010 190 ASP AAA N   
1517 C  CA  . ASP A 189 ? 0.006 0.212 0.225 -0.003 0.002  -0.016 190 ASP AAA CA  
1518 C  C   . ASP A 189 ? 0.008 0.167 0.215 -0.014 -0.003 -0.032 190 ASP AAA C   
1519 O  O   . ASP A 189 ? 0.008 0.175 0.213 -0.013 -0.008 -0.013 190 ASP AAA O   
1520 C  CB  . ASP A 189 ? 0.042 0.265 0.245 -0.060 -0.015 0.001  190 ASP AAA CB  
1521 C  CG  . ASP A 189 ? 0.037 0.374 0.310 -0.060 0.006  0.023  190 ASP AAA CG  
1522 O  OD1 . ASP A 189 ? 0.100 0.426 0.370 -0.026 0.016  -0.043 190 ASP AAA OD1 
1523 O  OD2 . ASP A 189 ? 0.216 0.449 0.349 -0.083 0.026  0.113  190 ASP AAA OD2 
1524 N  N   . TYR A 190 ? 0.009 0.151 0.192 -0.020 0.003  -0.006 191 TYR AAA N   
1525 C  CA  . TYR A 190 ? 0.011 0.151 0.181 -0.020 0.009  -0.003 191 TYR AAA CA  
1526 C  C   . TYR A 190 ? 0.011 0.147 0.191 -0.022 0.015  0.011  191 TYR AAA C   
1527 O  O   . TYR A 190 ? 0.007 0.169 0.208 -0.006 0.011  -0.000 191 TYR AAA O   
1528 C  CB  . TYR A 190 ? 0.010 0.157 0.223 -0.024 -0.008 0.012  191 TYR AAA CB  
1529 C  CG  . TYR A 190 ? 0.010 0.154 0.228 -0.023 -0.008 0.013  191 TYR AAA CG  
1530 C  CD1 . TYR A 190 ? 0.037 0.172 0.240 -0.034 -0.013 -0.031 191 TYR AAA CD1 
1531 C  CD2 . TYR A 190 ? 0.008 0.181 0.235 -0.016 -0.002 0.004  191 TYR AAA CD2 
1532 C  CE1 . TYR A 190 ? 0.016 0.178 0.229 -0.040 -0.013 -0.001 191 TYR AAA CE1 
1533 C  CE2 . TYR A 190 ? 0.009 0.165 0.240 -0.020 -0.004 -0.002 191 TYR AAA CE2 
1534 C  CZ  . TYR A 190 ? 0.018 0.159 0.235 -0.029 -0.008 -0.003 191 TYR AAA CZ  
1535 O  OH  . TYR A 190 ? 0.095 0.162 0.246 -0.004 -0.033 -0.014 191 TYR AAA OH  
1536 N  N   . TRP A 191 ? 0.010 0.136 0.196 -0.020 0.004  0.002  192 TRP AAA N   
1537 C  CA  . TRP A 191 ? 0.006 0.134 0.183 -0.002 0.002  0.004  192 TRP AAA CA  
1538 C  C   . TRP A 191 ? 0.007 0.146 0.184 -0.004 0.011  -0.018 192 TRP AAA C   
1539 O  O   . TRP A 191 ? 0.010 0.175 0.199 -0.026 -0.001 -0.007 192 TRP AAA O   
1540 C  CB  . TRP A 191 ? 0.011 0.119 0.200 -0.002 0.006  -0.009 192 TRP AAA CB  
1541 C  CG  . TRP A 191 ? 0.008 0.125 0.209 0.006  0.007  0.003  192 TRP AAA CG  
1542 C  CD1 . TRP A 191 ? 0.016 0.144 0.225 0.019  0.000  0.004  192 TRP AAA CD1 
1543 C  CD2 . TRP A 191 ? 0.021 0.138 0.208 0.000  -0.023 0.004  192 TRP AAA CD2 
1544 N  NE1 . TRP A 191 ? 0.064 0.144 0.238 0.012  0.023  0.013  192 TRP AAA NE1 
1545 C  CE2 . TRP A 191 ? 0.028 0.124 0.241 0.013  0.004  0.001  192 TRP AAA CE2 
1546 C  CE3 . TRP A 191 ? 0.018 0.132 0.224 0.003  -0.010 0.000  192 TRP AAA CE3 
1547 C  CZ2 . TRP A 191 ? 0.067 0.125 0.287 0.003  -0.027 0.003  192 TRP AAA CZ2 
1548 C  CZ3 . TRP A 191 ? 0.016 0.158 0.267 0.003  -0.002 -0.033 192 TRP AAA CZ3 
1549 C  CH2 . TRP A 191 ? 0.048 0.122 0.286 0.009  -0.025 -0.028 192 TRP AAA CH2 
1550 N  N   . THR A 192 ? 0.007 0.138 0.163 -0.004 -0.004 0.001  193 THR AAA N   
1551 C  CA  . THR A 192 ? 0.008 0.117 0.189 0.001  -0.001 0.009  193 THR AAA CA  
1552 C  C   . THR A 192 ? 0.009 0.133 0.183 0.009  0.018  -0.004 193 THR AAA C   
1553 O  O   . THR A 192 ? 0.006 0.144 0.203 -0.002 0.001  0.002  193 THR AAA O   
1554 C  CB  . THR A 192 ? 0.007 0.123 0.200 0.004  0.006  -0.006 193 THR AAA CB  
1555 O  OG1 . THR A 192 ? 0.008 0.125 0.222 0.003  0.001  -0.006 193 THR AAA OG1 
1556 C  CG2 . THR A 192 ? 0.015 0.134 0.220 -0.020 0.035  0.004  193 THR AAA CG2 
1557 N  N   . TYR A 193 ? 0.006 0.134 0.199 -0.002 -0.000 -0.001 194 TYR AAA N   
1558 C  CA  . TYR A 193 ? 0.007 0.133 0.174 0.007  -0.009 0.009  194 TYR AAA CA  
1559 C  C   . TYR A 193 ? 0.007 0.107 0.172 0.000  -0.009 -0.013 194 TYR AAA C   
1560 O  O   . TYR A 193 ? 0.007 0.130 0.181 0.002  -0.005 -0.001 194 TYR AAA O   
1561 C  CB  . TYR A 193 ? 0.007 0.116 0.193 -0.004 -0.009 -0.011 194 TYR AAA CB  
1562 C  CG  . TYR A 193 ? 0.008 0.111 0.203 0.006  -0.016 -0.018 194 TYR AAA CG  
1563 C  CD1 . TYR A 193 ? 0.011 0.117 0.185 0.017  -0.021 -0.019 194 TYR AAA CD1 
1564 C  CD2 . TYR A 193 ? 0.007 0.115 0.211 0.000  -0.011 -0.025 194 TYR AAA CD2 
1565 C  CE1 . TYR A 193 ? 0.007 0.117 0.200 0.006  -0.012 -0.022 194 TYR AAA CE1 
1566 C  CE2 . TYR A 193 ? 0.027 0.099 0.190 -0.001 -0.004 -0.011 194 TYR AAA CE2 
1567 C  CZ  . TYR A 193 ? 0.006 0.091 0.209 0.002  -0.003 -0.019 194 TYR AAA CZ  
1568 O  OH  . TYR A 193 ? 0.008 0.112 0.195 0.014  -0.010 -0.017 194 TYR AAA OH  
1569 N  N   . PRO A 194 ? 0.008 0.132 0.186 -0.009 -0.011 -0.011 195 PRO AAA N   
1570 C  CA  . PRO A 194 ? 0.013 0.115 0.186 0.012  0.003  -0.003 195 PRO AAA CA  
1571 C  C   . PRO A 194 ? 0.007 0.103 0.204 -0.003 -0.012 -0.012 195 PRO AAA C   
1572 O  O   . PRO A 194 ? 0.010 0.125 0.181 -0.000 -0.006 -0.001 195 PRO AAA O   
1573 C  CB  . PRO A 194 ? 0.007 0.110 0.221 -0.007 0.006  -0.014 195 PRO AAA CB  
1574 C  CG  . PRO A 194 ? 0.030 0.165 0.197 -0.026 -0.017 -0.018 195 PRO AAA CG  
1575 C  CD  . PRO A 194 ? 0.010 0.157 0.199 -0.021 -0.009 0.007  195 PRO AAA CD  
1576 N  N   . GLY A 195 ? 0.007 0.114 0.200 0.005  -0.009 -0.008 196 GLY AAA N   
1577 C  CA  . GLY A 195 ? 0.012 0.120 0.176 0.024  0.005  -0.010 196 GLY AAA CA  
1578 C  C   . GLY A 195 ? 0.007 0.118 0.178 -0.001 -0.008 -0.013 196 GLY AAA C   
1579 O  O   . GLY A 195 ? 0.007 0.116 0.213 -0.007 -0.002 -0.008 196 GLY AAA O   
1580 N  N   . SER A 196 ? 0.008 0.103 0.157 -0.012 -0.008 -0.007 197 SER AAA N   
1581 C  CA  . SER A 196 ? 0.008 0.118 0.171 0.014  0.002  -0.002 197 SER AAA CA  
1582 C  C   . SER A 196 ? 0.010 0.080 0.160 0.010  -0.011 -0.007 197 SER AAA C   
1583 O  O   . SER A 196 ? 0.007 0.100 0.213 0.002  -0.007 -0.004 197 SER AAA O   
1584 C  CB  . SER A 196 ? 0.007 0.114 0.254 -0.005 -0.008 -0.008 197 SER AAA CB  
1585 O  OG  . SER A 196 ? 0.007 0.130 0.241 -0.007 0.002  -0.007 197 SER AAA OG  
1586 N  N   . LEU A 197 ? 0.007 0.115 0.180 0.008  0.003  0.006  198 LEU AAA N   
1587 C  CA  . LEU A 197 ? 0.008 0.112 0.192 -0.009 -0.009 0.000  198 LEU AAA CA  
1588 C  C   . LEU A 197 ? 0.006 0.109 0.192 -0.001 -0.002 -0.005 198 LEU AAA C   
1589 O  O   . LEU A 197 ? 0.006 0.134 0.242 -0.003 -0.004 -0.020 198 LEU AAA O   
1590 C  CB  . LEU A 197 ? 0.007 0.123 0.173 -0.000 -0.007 0.009  198 LEU AAA CB  
1591 C  CG  . LEU A 197 ? 0.011 0.114 0.201 -0.009 -0.006 0.009  198 LEU AAA CG  
1592 C  CD1 . LEU A 197 ? 0.022 0.125 0.224 -0.005 -0.014 0.009  198 LEU AAA CD1 
1593 C  CD2 . LEU A 197 ? 0.010 0.131 0.224 0.010  -0.005 0.009  198 LEU AAA CD2 
1594 N  N   . THR A 198 ? 0.008 0.109 0.223 0.004  -0.021 -0.026 199 THR AAA N   
1595 C  CA  . THR A 198 ? 0.007 0.091 0.201 -0.007 -0.003 -0.007 199 THR AAA CA  
1596 C  C   . THR A 198 ? 0.007 0.108 0.202 0.003  -0.014 -0.002 199 THR AAA C   
1597 O  O   . THR A 198 ? 0.007 0.108 0.226 0.009  -0.007 -0.000 199 THR AAA O   
1598 C  CB  . THR A 198 ? 0.007 0.081 0.211 -0.002 -0.006 -0.022 199 THR AAA CB  
1599 O  OG1 . THR A 198 ? 0.006 0.119 0.210 -0.002 -0.004 -0.005 199 THR AAA OG1 
1600 C  CG2 . THR A 198 ? 0.007 0.098 0.206 0.007  0.008  -0.002 199 THR AAA CG2 
1601 N  N   . THR A 199 ? 0.007 0.131 0.220 0.008  0.008  -0.008 200 THR AAA N   
1602 C  CA  . THR A 199 ? 0.008 0.117 0.220 -0.000 0.018  -0.007 200 THR AAA CA  
1603 C  C   . THR A 199 ? 0.009 0.133 0.221 -0.015 0.011  -0.005 200 THR AAA C   
1604 O  O   . THR A 199 ? 0.008 0.136 0.235 -0.013 0.000  -0.013 200 THR AAA O   
1605 C  CB  . THR A 199 ? 0.008 0.179 0.226 -0.013 0.014  0.018  200 THR AAA CB  
1606 O  OG1 . THR A 199 ? 0.124 0.169 0.231 -0.017 -0.041 0.027  200 THR AAA OG1 
1607 C  CG2 . THR A 199 ? 0.007 0.133 0.224 -0.008 -0.005 0.007  200 THR AAA CG2 
1608 N  N   . PRO A 200 ? 0.008 0.136 0.239 -0.014 0.002  -0.009 201 PRO AAA N   
1609 C  CA  . PRO A 200 ? 0.009 0.127 0.219 -0.017 0.005  0.005  201 PRO AAA CA  
1610 C  C   . PRO A 200 ? 0.006 0.153 0.188 -0.001 0.003  -0.018 201 PRO AAA C   
1611 O  O   . PRO A 200 ? 0.053 0.158 0.199 -0.008 -0.014 -0.017 201 PRO AAA O   
1612 C  CB  . PRO A 200 ? 0.008 0.193 0.247 -0.015 0.001  0.002  201 PRO AAA CB  
1613 C  CG  . PRO A 200 ? 0.013 0.176 0.223 -0.033 0.009  -0.025 201 PRO AAA CG  
1614 C  CD  . PRO A 200 ? 0.008 0.132 0.199 -0.013 -0.009 -0.011 201 PRO AAA CD  
1615 N  N   . PRO A 201 ? 0.007 0.149 0.211 -0.009 -0.007 -0.003 202 PRO AAA N   
1616 C  CA  . PRO A 201 ? 0.008 0.126 0.213 0.002  -0.019 -0.012 202 PRO AAA CA  
1617 C  C   . PRO A 201 ? 0.010 0.133 0.217 -0.020 -0.004 -0.015 202 PRO AAA C   
1618 O  O   . PRO A 201 ? 0.011 0.140 0.232 -0.023 -0.009 -0.020 202 PRO AAA O   
1619 C  CB  . PRO A 201 ? 0.028 0.132 0.242 -0.049 -0.004 0.006  202 PRO AAA CB  
1620 C  CG  . PRO A 201 ? 0.027 0.170 0.240 -0.023 0.011  0.013  202 PRO AAA CG  
1621 C  CD  . PRO A 201 ? 0.007 0.162 0.229 0.007  -0.009 0.005  202 PRO AAA CD  
1622 N  N   . LEU A 202 ? 0.008 0.143 0.250 -0.004 -0.018 -0.006 203 LEU AAA N   
1623 C  CA  A LEU A 202 ? 0.014 0.130 0.226 -0.002 -0.042 -0.010 203 LEU AAA CA  
1624 C  C   . LEU A 202 ? 0.013 0.140 0.226 -0.029 -0.007 0.009  203 LEU AAA C   
1625 O  O   . LEU A 202 ? 0.006 0.133 0.237 0.002  -0.001 -0.010 203 LEU AAA O   
1626 C  CB  A LEU A 202 ? 0.011 0.122 0.207 -0.003 -0.031 0.001  203 LEU AAA CB  
1627 C  CG  A LEU A 202 ? 0.010 0.111 0.252 -0.002 -0.028 0.003  203 LEU AAA CG  
1628 C  CD1 A LEU A 202 ? 0.013 0.174 0.256 0.028  -0.026 -0.024 203 LEU AAA CD1 
1629 C  CD2 A LEU A 202 ? 0.009 0.077 0.202 -0.006 -0.022 -0.009 203 LEU AAA CD2 
1630 N  N   . LEU A 203 ? 0.009 0.130 0.221 -0.016 -0.013 -0.009 204 LEU AAA N   
1631 C  CA  . LEU A 203 ? 0.008 0.115 0.238 -0.013 -0.004 -0.002 204 LEU AAA CA  
1632 C  C   . LEU A 203 ? 0.008 0.098 0.215 -0.005 -0.019 -0.007 204 LEU AAA C   
1633 O  O   . LEU A 203 ? 0.009 0.120 0.229 -0.014 -0.015 -0.005 204 LEU AAA O   
1634 C  CB  . LEU A 203 ? 0.006 0.123 0.254 0.001  -0.004 -0.003 204 LEU AAA CB  
1635 C  CG  . LEU A 203 ? 0.035 0.137 0.263 -0.001 0.033  -0.009 204 LEU AAA CG  
1636 C  CD1 . LEU A 203 ? 0.048 0.154 0.287 -0.029 0.003  0.001  204 LEU AAA CD1 
1637 C  CD2 . LEU A 203 ? 0.044 0.196 0.346 -0.082 0.018  0.022  204 LEU AAA CD2 
1638 N  N   . GLU A 204 ? 0.010 0.118 0.215 -0.014 -0.018 -0.025 205 GLU AAA N   
1639 C  CA  . GLU A 204 ? 0.025 0.132 0.209 -0.016 -0.016 -0.021 205 GLU AAA CA  
1640 C  C   . GLU A 204 ? 0.022 0.104 0.220 -0.033 -0.026 -0.018 205 GLU AAA C   
1641 O  O   . GLU A 204 ? 0.028 0.181 0.255 0.002  -0.034 -0.055 205 GLU AAA O   
1642 C  CB  . GLU A 204 ? 0.011 0.130 0.240 -0.017 -0.022 -0.018 205 GLU AAA CB  
1643 C  CG  . GLU A 204 ? 0.007 0.132 0.231 -0.009 0.001  -0.016 205 GLU AAA CG  
1644 C  CD  . GLU A 204 ? 0.023 0.165 0.236 -0.002 -0.017 -0.019 205 GLU AAA CD  
1645 O  OE1 . GLU A 204 ? 0.058 0.219 0.293 -0.001 -0.055 -0.042 205 GLU AAA OE1 
1646 O  OE2 . GLU A 204 ? 0.025 0.168 0.235 0.004  -0.022 -0.003 205 GLU AAA OE2 
1647 N  N   . CYS A 205 ? 0.010 0.095 0.213 -0.012 -0.019 -0.010 206 CYS AAA N   
1648 C  CA  . CYS A 205 ? 0.007 0.143 0.220 0.006  -0.012 -0.012 206 CYS AAA CA  
1649 C  C   . CYS A 205 ? 0.007 0.108 0.221 0.007  -0.001 -0.018 206 CYS AAA C   
1650 O  O   . CYS A 205 ? 0.018 0.111 0.275 0.015  -0.032 -0.001 206 CYS AAA O   
1651 C  CB  . CYS A 205 ? 0.009 0.137 0.271 0.017  -0.013 0.002  206 CYS AAA CB  
1652 S  SG  . CYS A 205 ? 0.042 0.134 0.240 0.001  -0.012 -0.003 206 CYS AAA SG  
1653 N  N   . VAL A 206 ? 0.009 0.102 0.248 0.000  -0.026 -0.006 207 VAL AAA N   
1654 C  CA  . VAL A 206 ? 0.011 0.109 0.207 -0.010 -0.028 -0.005 207 VAL AAA CA  
1655 C  C   . VAL A 206 ? 0.009 0.093 0.190 0.010  -0.018 -0.005 207 VAL AAA C   
1656 O  O   . VAL A 206 ? 0.007 0.141 0.223 -0.001 -0.015 0.020  207 VAL AAA O   
1657 C  CB  . VAL A 206 ? 0.011 0.090 0.211 -0.011 -0.026 0.002  207 VAL AAA CB  
1658 C  CG1 . VAL A 206 ? 0.011 0.096 0.206 -0.010 -0.027 -0.007 207 VAL AAA CG1 
1659 C  CG2 . VAL A 206 ? 0.036 0.102 0.211 -0.009 -0.005 -0.009 207 VAL AAA CG2 
1660 N  N   . THR A 207 ? 0.008 0.094 0.200 0.006  -0.015 0.006  208 THR AAA N   
1661 C  CA  . THR A 207 ? 0.010 0.090 0.189 0.002  -0.023 0.011  208 THR AAA CA  
1662 C  C   . THR A 207 ? 0.017 0.079 0.193 -0.001 -0.010 0.002  208 THR AAA C   
1663 O  O   . THR A 207 ? 0.008 0.101 0.185 -0.006 -0.011 -0.002 208 THR AAA O   
1664 C  CB  . THR A 207 ? 0.008 0.116 0.197 0.011  -0.015 -0.003 208 THR AAA CB  
1665 O  OG1 . THR A 207 ? 0.022 0.119 0.250 -0.003 0.001  -0.022 208 THR AAA OG1 
1666 C  CG2 . THR A 207 ? 0.008 0.146 0.246 0.012  0.007  0.004  208 THR AAA CG2 
1667 N  N   . TRP A 208 ? 0.011 0.088 0.231 0.018  -0.016 -0.014 209 TRP AAA N   
1668 C  CA  . TRP A 208 ? 0.007 0.094 0.197 0.007  -0.002 -0.006 209 TRP AAA CA  
1669 C  C   . TRP A 208 ? 0.007 0.095 0.168 0.009  -0.004 -0.012 209 TRP AAA C   
1670 O  O   . TRP A 208 ? 0.007 0.121 0.178 -0.003 -0.007 -0.014 209 TRP AAA O   
1671 C  CB  . TRP A 208 ? 0.019 0.076 0.171 0.006  0.003  -0.010 209 TRP AAA CB  
1672 C  CG  . TRP A 208 ? 0.007 0.101 0.204 0.002  -0.014 -0.025 209 TRP AAA CG  
1673 C  CD1 . TRP A 208 ? 0.011 0.107 0.202 -0.005 -0.028 -0.010 209 TRP AAA CD1 
1674 C  CD2 . TRP A 208 ? 0.007 0.076 0.204 0.003  -0.011 -0.005 209 TRP AAA CD2 
1675 N  NE1 . TRP A 208 ? 0.009 0.110 0.200 0.008  -0.020 -0.006 209 TRP AAA NE1 
1676 C  CE2 . TRP A 208 ? 0.008 0.086 0.188 0.007  0.012  -0.011 209 TRP AAA CE2 
1677 C  CE3 . TRP A 208 ? 0.007 0.091 0.186 -0.004 -0.012 -0.006 209 TRP AAA CE3 
1678 C  CZ2 . TRP A 208 ? 0.012 0.097 0.202 0.021  0.004  -0.001 209 TRP AAA CZ2 
1679 C  CZ3 . TRP A 208 ? 0.010 0.104 0.193 0.003  -0.018 0.007  209 TRP AAA CZ3 
1680 C  CH2 . TRP A 208 ? 0.029 0.102 0.179 0.009  0.008  -0.010 209 TRP AAA CH2 
1681 N  N   . ILE A 209 ? 0.007 0.097 0.176 -0.008 -0.002 -0.004 210 ILE AAA N   
1682 C  CA  . ILE A 209 ? 0.007 0.120 0.201 -0.002 -0.010 -0.003 210 ILE AAA CA  
1683 C  C   . ILE A 209 ? 0.006 0.134 0.206 0.004  0.001  -0.004 210 ILE AAA C   
1684 O  O   . ILE A 209 ? 0.040 0.100 0.197 -0.008 -0.005 0.000  210 ILE AAA O   
1685 C  CB  . ILE A 209 ? 0.007 0.117 0.235 -0.002 -0.009 0.009  210 ILE AAA CB  
1686 C  CG1 . ILE A 209 ? 0.009 0.124 0.293 0.017  0.008  -0.012 210 ILE AAA CG1 
1687 C  CG2 . ILE A 209 ? 0.007 0.135 0.258 -0.001 -0.013 0.014  210 ILE AAA CG2 
1688 C  CD1 . ILE A 209 ? 0.023 0.139 0.277 0.044  -0.015 -0.019 210 ILE AAA CD1 
1689 N  N   . VAL A 210 ? 0.006 0.132 0.203 -0.001 0.002  0.002  211 VAL AAA N   
1690 C  CA  . VAL A 210 ? 0.007 0.132 0.175 0.006  -0.001 -0.001 211 VAL AAA CA  
1691 C  C   . VAL A 210 ? 0.006 0.111 0.184 0.002  -0.000 -0.004 211 VAL AAA C   
1692 O  O   . VAL A 210 ? 0.009 0.134 0.199 -0.019 0.005  -0.002 211 VAL AAA O   
1693 C  CB  . VAL A 210 ? 0.007 0.115 0.189 0.010  -0.005 0.003  211 VAL AAA CB  
1694 C  CG1 . VAL A 210 ? 0.008 0.110 0.208 0.002  -0.011 0.004  211 VAL AAA CG1 
1695 C  CG2 . VAL A 210 ? 0.007 0.116 0.237 0.006  0.004  0.004  211 VAL AAA CG2 
1696 N  N   . LEU A 211 ? 0.010 0.106 0.192 -0.019 0.001  -0.003 212 LEU AAA N   
1697 C  CA  . LEU A 211 ? 0.008 0.130 0.195 -0.014 0.010  -0.005 212 LEU AAA CA  
1698 C  C   . LEU A 211 ? 0.012 0.118 0.198 -0.018 0.005  -0.007 212 LEU AAA C   
1699 O  O   . LEU A 211 ? 0.010 0.133 0.224 -0.022 0.005  -0.009 212 LEU AAA O   
1700 C  CB  . LEU A 211 ? 0.008 0.143 0.221 -0.013 -0.001 0.001  212 LEU AAA CB  
1701 C  CG  . LEU A 211 ? 0.011 0.147 0.246 -0.018 -0.022 -0.006 212 LEU AAA CG  
1702 C  CD1 . LEU A 211 ? 0.011 0.202 0.247 -0.027 -0.018 0.027  212 LEU AAA CD1 
1703 C  CD2 . LEU A 211 ? 0.072 0.176 0.231 -0.008 -0.011 0.011  212 LEU AAA CD2 
1704 N  N   . LYS A 212 ? 0.008 0.175 0.200 -0.017 -0.005 0.005  213 LYS AAA N   
1705 C  CA  A LYS A 212 ? 0.049 0.172 0.211 -0.003 -0.020 0.016  213 LYS AAA CA  
1706 C  C   . LYS A 212 ? 0.007 0.131 0.238 -0.006 -0.007 -0.001 213 LYS AAA C   
1707 O  O   . LYS A 212 ? 0.036 0.131 0.285 0.002  -0.031 0.020  213 LYS AAA O   
1708 C  CB  A LYS A 212 ? 0.134 0.224 0.234 -0.114 0.001  -0.006 213 LYS AAA CB  
1709 C  CG  A LYS A 212 ? 0.181 0.241 0.288 -0.122 -0.056 0.026  213 LYS AAA CG  
1710 C  CD  A LYS A 212 ? 0.456 0.344 0.327 -0.203 0.027  -0.005 213 LYS AAA CD  
1711 C  CE  A LYS A 212 ? 0.573 0.405 0.413 -0.184 0.086  0.144  213 LYS AAA CE  
1712 N  NZ  A LYS A 212 ? 0.531 0.750 0.463 -0.248 0.108  0.032  213 LYS AAA NZ  
1713 N  N   . GLU A 213 ? 0.013 0.146 0.215 -0.019 -0.003 0.013  214 GLU AAA N   
1714 C  CA  . GLU A 213 ? 0.032 0.126 0.222 -0.006 -0.005 0.021  214 GLU AAA CA  
1715 C  C   . GLU A 213 ? 0.011 0.139 0.216 -0.023 -0.011 0.002  214 GLU AAA C   
1716 O  O   . GLU A 213 ? 0.007 0.142 0.258 -0.004 0.007  0.030  214 GLU AAA O   
1717 C  CB  . GLU A 213 ? 0.027 0.171 0.221 -0.011 -0.006 0.022  214 GLU AAA CB  
1718 C  CG  . GLU A 213 ? 0.059 0.197 0.285 -0.048 0.004  -0.002 214 GLU AAA CG  
1719 C  CD  . GLU A 213 ? 0.044 0.274 0.511 -0.035 -0.001 -0.056 214 GLU AAA CD  
1720 O  OE1 . GLU A 213 ? 0.049 0.204 0.356 -0.024 -0.035 0.015  214 GLU AAA OE1 
1721 O  OE2 . GLU A 213 ? 0.225 0.409 0.566 -0.117 -0.061 -0.101 214 GLU AAA OE2 
1722 N  N   . PRO A 214 ? 0.040 0.134 0.195 -0.021 -0.015 0.007  215 PRO AAA N   
1723 C  CA  . PRO A 214 ? 0.036 0.127 0.193 -0.010 -0.003 0.023  215 PRO AAA CA  
1724 C  C   . PRO A 214 ? 0.020 0.144 0.205 -0.030 -0.015 0.013  215 PRO AAA C   
1725 O  O   . PRO A 214 ? 0.028 0.224 0.248 -0.062 -0.027 0.008  215 PRO AAA O   
1726 C  CB  . PRO A 214 ? 0.038 0.150 0.237 -0.003 0.003  -0.003 215 PRO AAA CB  
1727 C  CG  . PRO A 214 ? 0.215 0.209 0.298 0.014  0.061  0.036  215 PRO AAA CG  
1728 C  CD  . PRO A 214 ? 0.065 0.143 0.265 -0.002 0.056  0.029  215 PRO AAA CD  
1729 N  N   . ILE A 215 ? 0.040 0.145 0.190 -0.021 -0.003 -0.007 216 ILE AAA N   
1730 C  CA  . ILE A 215 ? 0.034 0.147 0.215 -0.013 -0.012 -0.007 216 ILE AAA CA  
1731 C  C   . ILE A 215 ? 0.023 0.140 0.251 -0.024 -0.010 -0.007 216 ILE AAA C   
1732 O  O   . ILE A 215 ? 0.031 0.129 0.238 -0.006 0.002  -0.022 216 ILE AAA O   
1733 C  CB  . ILE A 215 ? 0.019 0.149 0.229 -0.014 -0.018 0.005  216 ILE AAA CB  
1734 C  CG1 . ILE A 215 ? 0.020 0.152 0.238 -0.011 -0.009 -0.013 216 ILE AAA CG1 
1735 C  CG2 . ILE A 215 ? 0.049 0.162 0.227 -0.007 -0.014 0.000  216 ILE AAA CG2 
1736 C  CD1 . ILE A 215 ? 0.049 0.158 0.267 -0.034 0.009  0.006  216 ILE AAA CD1 
1737 N  N   . SER A 216 ? 0.033 0.146 0.246 -0.040 -0.014 -0.007 217 SER AAA N   
1738 C  CA  A SER A 216 ? 0.095 0.156 0.243 -0.032 -0.020 -0.010 217 SER AAA CA  
1739 C  CA  B SER A 216 ? 0.101 0.155 0.245 -0.026 -0.018 -0.007 217 SER AAA CA  
1740 C  C   . SER A 216 ? 0.064 0.146 0.240 -0.018 -0.036 -0.002 217 SER AAA C   
1741 O  O   . SER A 216 ? 0.042 0.190 0.272 -0.024 -0.031 0.022  217 SER AAA O   
1742 C  CB  A SER A 216 ? 0.141 0.180 0.294 -0.066 0.001  -0.022 217 SER AAA CB  
1743 C  CB  B SER A 216 ? 0.151 0.173 0.289 -0.057 0.001  -0.006 217 SER AAA CB  
1744 O  OG  A SER A 216 ? 0.158 0.220 0.311 -0.088 -0.049 -0.006 217 SER AAA OG  
1745 O  OG  B SER A 216 ? 0.113 0.226 0.371 -0.019 0.013  -0.025 217 SER AAA OG  
1746 N  N   . VAL A 217 ? 0.042 0.127 0.263 -0.028 -0.031 -0.010 218 VAL AAA N   
1747 C  CA  . VAL A 217 ? 0.065 0.129 0.235 -0.033 -0.019 -0.007 218 VAL AAA CA  
1748 C  C   . VAL A 217 ? 0.093 0.137 0.213 -0.047 -0.040 -0.010 218 VAL AAA C   
1749 O  O   . VAL A 217 ? 0.078 0.159 0.252 -0.033 -0.035 0.006  218 VAL AAA O   
1750 C  CB  . VAL A 217 ? 0.062 0.135 0.245 -0.037 -0.027 -0.011 218 VAL AAA CB  
1751 C  CG1 . VAL A 217 ? 0.097 0.141 0.260 -0.030 -0.053 -0.017 218 VAL AAA CG1 
1752 C  CG2 . VAL A 217 ? 0.053 0.157 0.298 -0.021 -0.010 -0.028 218 VAL AAA CG2 
1753 N  N   . SER A 218 ? 0.092 0.145 0.207 -0.036 -0.037 -0.005 219 SER AAA N   
1754 C  CA  . SER A 218 ? 0.077 0.137 0.240 -0.033 -0.018 -0.012 219 SER AAA CA  
1755 C  C   . SER A 218 ? 0.090 0.131 0.255 -0.027 0.004  -0.003 219 SER AAA C   
1756 O  O   . SER A 218 ? 0.075 0.130 0.230 -0.025 -0.034 -0.008 219 SER AAA O   
1757 C  CB  . SER A 218 ? 0.096 0.143 0.240 -0.017 -0.014 -0.024 219 SER AAA CB  
1758 O  OG  . SER A 218 ? 0.100 0.180 0.231 -0.038 -0.031 -0.010 219 SER AAA OG  
1759 N  N   . SER A 219 ? 0.109 0.126 0.286 -0.033 0.018  -0.004 220 SER AAA N   
1760 C  CA  A SER A 219 ? 0.079 0.155 0.302 -0.035 -0.011 0.007  220 SER AAA CA  
1761 C  CA  B SER A 219 ? 0.082 0.132 0.296 -0.040 -0.012 -0.002 220 SER AAA CA  
1762 C  C   . SER A 219 ? 0.084 0.156 0.259 -0.038 -0.030 -0.014 220 SER AAA C   
1763 O  O   . SER A 219 ? 0.088 0.159 0.317 -0.044 -0.027 0.014  220 SER AAA O   
1764 C  CB  A SER A 219 ? 0.135 0.164 0.373 -0.003 -0.034 -0.029 220 SER AAA CB  
1765 C  CB  B SER A 219 ? 0.137 0.139 0.354 -0.011 -0.025 -0.043 220 SER AAA CB  
1766 O  OG  A SER A 219 ? 0.170 0.303 0.401 0.078  -0.015 0.039  220 SER AAA OG  
1767 O  OG  B SER A 219 ? 0.160 0.178 0.347 -0.018 -0.045 -0.039 220 SER AAA OG  
1768 N  N   . GLU A 220 ? 0.069 0.155 0.264 0.001  -0.024 -0.025 221 GLU AAA N   
1769 C  CA  . GLU A 220 ? 0.068 0.175 0.275 0.028  -0.017 -0.013 221 GLU AAA CA  
1770 C  C   . GLU A 220 ? 0.085 0.175 0.225 0.004  0.006  -0.005 221 GLU AAA C   
1771 O  O   . GLU A 220 ? 0.106 0.254 0.233 0.001  0.027  -0.005 221 GLU AAA O   
1772 C  CB  . GLU A 220 ? 0.145 0.202 0.239 -0.026 -0.037 -0.019 221 GLU AAA CB  
1773 C  CG  . GLU A 220 ? 0.134 0.228 0.327 -0.009 -0.021 -0.078 221 GLU AAA CG  
1774 C  CD  . GLU A 220 ? 0.206 0.256 0.381 -0.080 -0.004 -0.091 221 GLU AAA CD  
1775 O  OE1 . GLU A 220 ? 0.165 0.238 0.432 -0.062 0.020  -0.114 221 GLU AAA OE1 
1776 O  OE2 . GLU A 220 ? 0.465 0.252 0.611 -0.107 0.068  -0.123 221 GLU AAA OE2 
1777 N  N   . GLN A 221 ? 0.028 0.168 0.244 -0.016 0.011  -0.013 222 GLN AAA N   
1778 C  CA  . GLN A 221 ? 0.045 0.162 0.216 -0.031 -0.007 -0.001 222 GLN AAA CA  
1779 C  C   . GLN A 221 ? 0.042 0.175 0.257 -0.024 -0.009 0.007  222 GLN AAA C   
1780 O  O   . GLN A 221 ? 0.052 0.154 0.273 -0.017 0.002  0.007  222 GLN AAA O   
1781 C  CB  . GLN A 221 ? 0.054 0.178 0.223 -0.017 -0.020 -0.017 222 GLN AAA CB  
1782 C  CG  . GLN A 221 ? 0.036 0.155 0.221 -0.032 -0.006 -0.011 222 GLN AAA CG  
1783 C  CD  . GLN A 221 ? 0.043 0.144 0.207 -0.040 -0.005 0.005  222 GLN AAA CD  
1784 O  OE1 . GLN A 221 ? 0.053 0.172 0.202 -0.019 -0.009 -0.010 222 GLN AAA OE1 
1785 N  NE2 . GLN A 221 ? 0.052 0.160 0.270 -0.018 -0.022 0.010  222 GLN AAA NE2 
1786 N  N   . VAL A 222 ? 0.057 0.151 0.270 -0.034 -0.013 0.034  223 VAL AAA N   
1787 C  CA  . VAL A 222 ? 0.040 0.177 0.283 -0.040 0.001  0.012  223 VAL AAA CA  
1788 C  C   . VAL A 222 ? 0.024 0.182 0.258 -0.019 -0.020 0.016  223 VAL AAA C   
1789 O  O   . VAL A 222 ? 0.023 0.202 0.265 -0.024 -0.006 0.021  223 VAL AAA O   
1790 C  CB  . VAL A 222 ? 0.083 0.246 0.312 -0.022 -0.039 0.051  223 VAL AAA CB  
1791 C  CG1 . VAL A 222 ? 0.142 0.277 0.435 -0.047 -0.077 0.039  223 VAL AAA CG1 
1792 C  CG2 . VAL A 222 ? 0.095 0.279 0.303 -0.013 -0.022 0.011  223 VAL AAA CG2 
1793 N  N   . LEU A 223 ? 0.070 0.172 0.277 -0.033 -0.003 0.008  224 LEU AAA N   
1794 C  CA  . LEU A 223 ? 0.093 0.182 0.338 -0.013 0.025  -0.034 224 LEU AAA CA  
1795 C  C   . LEU A 223 ? 0.064 0.217 0.270 0.019  0.014  -0.013 224 LEU AAA C   
1796 O  O   . LEU A 223 ? 0.059 0.238 0.300 0.001  0.012  -0.042 224 LEU AAA O   
1797 C  CB  . LEU A 223 ? 0.107 0.213 0.467 -0.027 0.007  -0.091 224 LEU AAA CB  
1798 C  CG  . LEU A 223 ? 0.254 0.224 0.571 -0.008 0.070  -0.100 224 LEU AAA CG  
1799 C  CD1 . LEU A 223 ? 0.236 0.348 0.739 -0.015 -0.100 -0.140 224 LEU AAA CD1 
1800 C  CD2 . LEU A 223 ? 0.269 0.233 0.620 0.045  0.105  -0.117 224 LEU AAA CD2 
1801 N  N   . LYS A 224 ? 0.023 0.193 0.289 -0.012 0.007  -0.024 225 LYS AAA N   
1802 C  CA  . LYS A 224 ? 0.039 0.272 0.261 -0.023 -0.005 -0.007 225 LYS AAA CA  
1803 C  C   . LYS A 224 ? 0.062 0.203 0.192 -0.004 -0.003 0.019  225 LYS AAA C   
1804 O  O   . LYS A 224 ? 0.082 0.229 0.188 -0.013 -0.005 0.019  225 LYS AAA O   
1805 C  CB  . LYS A 224 ? 0.060 0.310 0.280 -0.016 -0.013 0.040  225 LYS AAA CB  
1806 C  CG  . LYS A 224 ? 0.189 0.403 0.338 -0.076 -0.083 0.035  225 LYS AAA CG  
1807 C  CD  . LYS A 224 ? 0.111 0.637 0.422 0.065  -0.020 0.040  225 LYS AAA CD  
1808 C  CE  . LYS A 224 ? 0.228 0.765 0.477 0.015  -0.097 -0.027 225 LYS AAA CE  
1809 N  NZ  . LYS A 224 ? 0.267 0.695 0.504 -0.085 0.123  0.008  225 LYS AAA NZ  
1810 N  N   . PHE A 225 ? 0.066 0.166 0.202 0.008  -0.009 0.008  226 PHE AAA N   
1811 C  CA  . PHE A 225 ? 0.047 0.125 0.220 0.026  0.000  0.000  226 PHE AAA CA  
1812 C  C   . PHE A 225 ? 0.043 0.119 0.207 0.019  -0.003 -0.001 226 PHE AAA C   
1813 O  O   . PHE A 225 ? 0.051 0.140 0.234 -0.001 -0.004 -0.001 226 PHE AAA O   
1814 C  CB  . PHE A 225 ? 0.022 0.136 0.226 -0.005 -0.011 -0.009 226 PHE AAA CB  
1815 C  CG  . PHE A 225 ? 0.011 0.152 0.255 -0.011 0.007  -0.006 226 PHE AAA CG  
1816 C  CD1 . PHE A 225 ? 0.086 0.272 0.289 0.100  -0.016 -0.022 226 PHE AAA CD1 
1817 C  CD2 . PHE A 225 ? 0.047 0.253 0.302 0.017  -0.022 -0.054 226 PHE AAA CD2 
1818 C  CE1 . PHE A 225 ? 0.091 0.277 0.347 0.083  0.029  -0.001 226 PHE AAA CE1 
1819 C  CE2 . PHE A 225 ? 0.073 0.282 0.347 0.036  -0.014 -0.084 226 PHE AAA CE2 
1820 C  CZ  . PHE A 225 ? 0.012 0.179 0.393 0.016  0.013  -0.055 226 PHE AAA CZ  
1821 N  N   . ARG A 226 ? 0.049 0.117 0.223 0.014  0.016  0.002  227 ARG AAA N   
1822 C  CA  . ARG A 226 ? 0.050 0.134 0.208 0.025  -0.013 0.006  227 ARG AAA CA  
1823 C  C   . ARG A 226 ? 0.035 0.147 0.230 0.002  -0.010 0.002  227 ARG AAA C   
1824 O  O   . ARG A 226 ? 0.044 0.198 0.249 0.024  0.002  -0.002 227 ARG AAA O   
1825 C  CB  . ARG A 226 ? 0.064 0.137 0.253 0.004  -0.000 0.020  227 ARG AAA CB  
1826 C  CG  . ARG A 226 ? 0.053 0.121 0.246 0.016  -0.010 0.004  227 ARG AAA CG  
1827 C  CD  . ARG A 226 ? 0.143 0.129 0.250 -0.019 -0.017 -0.003 227 ARG AAA CD  
1828 N  NE  . ARG A 226 ? 0.110 0.133 0.242 -0.030 -0.015 0.000  227 ARG AAA NE  
1829 C  CZ  . ARG A 226 ? 0.117 0.158 0.233 -0.047 -0.016 0.002  227 ARG AAA CZ  
1830 N  NH1 . ARG A 226 ? 0.219 0.191 0.285 -0.114 -0.026 -0.023 227 ARG AAA NH1 
1831 N  NH2 . ARG A 226 ? 0.186 0.156 0.252 -0.083 -0.010 0.005  227 ARG AAA NH2 
1832 N  N   . LYS A 227 ? 0.028 0.167 0.191 -0.006 -0.013 -0.016 228 LYS AAA N   
1833 C  CA  . LYS A 227 ? 0.087 0.160 0.206 -0.001 0.004  -0.033 228 LYS AAA CA  
1834 C  C   . LYS A 227 ? 0.082 0.149 0.173 0.013  0.005  -0.019 228 LYS AAA C   
1835 O  O   . LYS A 227 ? 0.130 0.188 0.186 -0.000 0.021  -0.019 228 LYS AAA O   
1836 C  CB  . LYS A 227 ? 0.139 0.235 0.213 -0.014 -0.009 -0.041 228 LYS AAA CB  
1837 C  CG  . LYS A 227 ? 0.263 0.262 0.318 -0.078 0.013  -0.079 228 LYS AAA CG  
1838 C  CD  . LYS A 227 ? 0.340 0.478 0.434 -0.113 -0.071 -0.162 228 LYS AAA CD  
1839 C  CE  . LYS A 227 ? 0.691 0.326 0.662 -0.050 -0.077 -0.087 228 LYS AAA CE  
1840 N  NZ  . LYS A 227 ? 0.750 0.637 0.700 0.130  -0.217 -0.110 228 LYS AAA NZ  
1841 N  N   . LEU A 228 ? 0.034 0.134 0.212 0.008  0.024  -0.014 229 LEU AAA N   
1842 C  CA  . LEU A 228 ? 0.047 0.128 0.210 -0.001 -0.000 -0.010 229 LEU AAA CA  
1843 C  C   . LEU A 228 ? 0.056 0.134 0.214 0.032  0.010  -0.005 229 LEU AAA C   
1844 O  O   . LEU A 228 ? 0.049 0.130 0.220 0.009  0.001  0.001  229 LEU AAA O   
1845 C  CB  . LEU A 228 ? 0.059 0.131 0.200 0.014  0.001  -0.010 229 LEU AAA CB  
1846 C  CG  . LEU A 228 ? 0.038 0.166 0.241 -0.011 -0.001 -0.016 229 LEU AAA CG  
1847 C  CD1 . LEU A 228 ? 0.031 0.169 0.275 0.002  -0.026 -0.022 229 LEU AAA CD1 
1848 C  CD2 . LEU A 228 ? 0.039 0.211 0.250 0.041  0.011  0.015  229 LEU AAA CD2 
1849 N  N   . ASN A 229 ? 0.028 0.142 0.214 0.025  0.007  0.003  230 ASN AAA N   
1850 C  CA  . ASN A 229 ? 0.027 0.142 0.219 0.021  0.009  0.005  230 ASN AAA CA  
1851 C  C   . ASN A 229 ? 0.039 0.144 0.218 0.032  0.008  0.007  230 ASN AAA C   
1852 O  O   . ASN A 229 ? 0.041 0.145 0.238 0.036  -0.007 -0.002 230 ASN AAA O   
1853 C  CB  . ASN A 229 ? 0.027 0.198 0.233 0.004  0.026  -0.015 230 ASN AAA CB  
1854 C  CG  . ASN A 229 ? 0.053 0.206 0.222 -0.011 -0.005 -0.024 230 ASN AAA CG  
1855 O  OD1 . ASN A 229 ? 0.191 0.208 0.248 0.043  0.032  -0.016 230 ASN AAA OD1 
1856 N  ND2 . ASN A 229 ? 0.042 0.178 0.270 0.003  0.015  -0.048 230 ASN AAA ND2 
1857 N  N   . PHE A 230 ? 0.016 0.119 0.234 0.018  0.012  -0.010 231 PHE AAA N   
1858 C  CA  . PHE A 230 ? 0.047 0.121 0.215 0.013  0.011  -0.005 231 PHE AAA CA  
1859 C  C   . PHE A 230 ? 0.078 0.147 0.211 0.012  0.009  0.012  231 PHE AAA C   
1860 O  O   . PHE A 230 ? 0.078 0.161 0.258 -0.006 0.005  0.016  231 PHE AAA O   
1861 C  CB  . PHE A 230 ? 0.045 0.156 0.250 0.035  0.002  0.023  231 PHE AAA CB  
1862 C  CG  . PHE A 230 ? 0.025 0.139 0.233 -0.004 -0.008 0.009  231 PHE AAA CG  
1863 C  CD1 . PHE A 230 ? 0.071 0.153 0.225 -0.004 -0.001 0.005  231 PHE AAA CD1 
1864 C  CD2 . PHE A 230 ? 0.082 0.134 0.236 0.007  0.025  -0.002 231 PHE AAA CD2 
1865 C  CE1 . PHE A 230 ? 0.063 0.140 0.224 0.002  -0.005 -0.019 231 PHE AAA CE1 
1866 C  CE2 . PHE A 230 ? 0.078 0.127 0.240 0.008  0.003  0.001  231 PHE AAA CE2 
1867 C  CZ  . PHE A 230 ? 0.061 0.139 0.219 -0.008 0.000  -0.014 231 PHE AAA CZ  
1868 N  N   . ASN A 231 ? 0.020 0.171 0.233 0.008  0.014  -0.002 232 ASN AAA N   
1869 C  CA  . ASN A 231 ? 0.043 0.183 0.238 -0.017 0.007  -0.007 232 ASN AAA CA  
1870 C  C   . ASN A 231 ? 0.055 0.180 0.270 0.022  0.039  0.008  232 ASN AAA C   
1871 O  O   . ASN A 231 ? 0.050 0.167 0.252 0.043  0.026  0.006  232 ASN AAA O   
1872 C  CB  . ASN A 231 ? 0.037 0.197 0.247 0.044  0.027  0.037  232 ASN AAA CB  
1873 C  CG  . ASN A 231 ? 0.037 0.192 0.248 0.035  0.031  0.023  232 ASN AAA CG  
1874 O  OD1 . ASN A 231 ? 0.091 0.174 0.240 0.020  0.039  0.004  232 ASN AAA OD1 
1875 N  ND2 . ASN A 231 ? 0.091 0.213 0.261 0.027  0.038  0.004  232 ASN AAA ND2 
1876 N  N   . GLY A 232 ? 0.056 0.205 0.237 0.006  0.014  0.009  233 GLY AAA N   
1877 C  CA  . GLY A 232 ? 0.107 0.178 0.269 0.048  0.022  0.030  233 GLY AAA CA  
1878 C  C   . GLY A 232 ? 0.074 0.167 0.259 0.024  0.015  0.007  233 GLY AAA C   
1879 O  O   . GLY A 232 ? 0.109 0.190 0.260 0.041  0.050  0.008  233 GLY AAA O   
1880 N  N   . GLU A 233 ? 0.090 0.232 0.249 0.053  0.039  0.009  234 GLU AAA N   
1881 C  CA  . GLU A 233 ? 0.048 0.230 0.265 0.036  0.019  0.005  234 GLU AAA CA  
1882 C  C   . GLU A 233 ? 0.066 0.244 0.258 0.038  0.030  -0.007 234 GLU AAA C   
1883 O  O   . GLU A 233 ? 0.095 0.280 0.279 0.005  0.005  0.003  234 GLU AAA O   
1884 C  CB  . GLU A 233 ? 0.085 0.258 0.250 0.028  0.017  0.041  234 GLU AAA CB  
1885 C  CG  . GLU A 233 ? 0.113 0.264 0.295 0.006  -0.001 0.027  234 GLU AAA CG  
1886 C  CD  . GLU A 233 ? 0.202 0.306 0.406 -0.010 -0.104 0.060  234 GLU AAA CD  
1887 O  OE1 . GLU A 233 ? 0.239 0.312 0.377 -0.040 0.021  0.059  234 GLU AAA OE1 
1888 O  OE2 . GLU A 233 ? 0.295 0.441 0.442 -0.018 -0.167 0.090  234 GLU AAA OE2 
1889 N  N   . GLY A 234 ? 0.166 0.233 0.295 0.036  0.049  -0.004 235 GLY AAA N   
1890 C  CA  . GLY A 234 ? 0.228 0.299 0.280 0.131  0.069  0.032  235 GLY AAA CA  
1891 C  C   . GLY A 234 ? 0.137 0.360 0.304 0.051  0.058  0.018  235 GLY AAA C   
1892 O  O   . GLY A 234 ? 0.182 0.511 0.363 0.098  0.128  0.003  235 GLY AAA O   
1893 N  N   . GLU A 235 ? 0.112 0.257 0.317 0.045  0.043  0.043  236 GLU AAA N   
1894 C  CA  . GLU A 235 ? 0.056 0.241 0.343 0.030  0.053  0.028  236 GLU AAA CA  
1895 C  C   . GLU A 235 ? 0.098 0.239 0.375 0.049  0.039  0.053  236 GLU AAA C   
1896 O  O   . GLU A 235 ? 0.146 0.249 0.350 0.006  0.067  0.010  236 GLU AAA O   
1897 C  CB  . GLU A 235 ? 0.120 0.232 0.358 0.039  -0.030 0.009  236 GLU AAA CB  
1898 C  CG  . GLU A 235 ? 0.111 0.287 0.428 -0.030 0.068  0.095  236 GLU AAA CG  
1899 C  CD  . GLU A 235 ? 0.320 0.342 0.510 -0.139 0.089  -0.016 236 GLU AAA CD  
1900 O  OE1 . GLU A 235 ? 0.098 0.325 0.528 -0.001 -0.030 0.074  236 GLU AAA OE1 
1901 O  OE2 . GLU A 235 ? 0.606 0.365 0.559 -0.117 0.128  0.082  236 GLU AAA OE2 
1902 N  N   . PRO A 236 ? 0.093 0.263 0.343 0.059  0.070  0.075  237 PRO AAA N   
1903 C  CA  . PRO A 236 ? 0.169 0.255 0.339 0.073  0.098  0.071  237 PRO AAA CA  
1904 C  C   . PRO A 236 ? 0.143 0.203 0.345 0.044  0.090  0.025  237 PRO AAA C   
1905 O  O   . PRO A 236 ? 0.044 0.257 0.353 0.021  0.027  0.007  237 PRO AAA O   
1906 C  CB  . PRO A 236 ? 0.121 0.345 0.526 0.123  0.127  0.148  237 PRO AAA CB  
1907 C  CG  . PRO A 236 ? 0.173 0.368 0.502 0.055  0.058  0.170  237 PRO AAA CG  
1908 C  CD  . PRO A 236 ? 0.096 0.336 0.428 0.025  0.074  0.084  237 PRO AAA CD  
1909 N  N   . GLU A 237 ? 0.109 0.209 0.299 0.056  0.070  -0.009 238 GLU AAA N   
1910 C  CA  . GLU A 237 ? 0.064 0.186 0.287 0.039  0.030  -0.023 238 GLU AAA CA  
1911 C  C   . GLU A 237 ? 0.030 0.177 0.275 0.022  0.011  -0.022 238 GLU AAA C   
1912 O  O   . GLU A 237 ? 0.077 0.183 0.356 0.050  0.037  -0.014 238 GLU AAA O   
1913 C  CB  . GLU A 237 ? 0.112 0.189 0.375 0.017  -0.013 -0.029 238 GLU AAA CB  
1914 C  CG  . GLU A 237 ? 0.124 0.303 0.478 0.047  0.009  -0.149 238 GLU AAA CG  
1915 C  CD  . GLU A 237 ? 0.120 0.452 0.523 -0.000 -0.004 -0.143 238 GLU AAA CD  
1916 O  OE1 . GLU A 237 ? 0.273 0.471 0.797 0.101  -0.009 -0.206 238 GLU AAA OE1 
1917 O  OE2 . GLU A 237 ? 0.179 0.220 0.382 -0.011 0.003  -0.084 238 GLU AAA OE2 
1918 N  N   . GLU A 238 ? 0.048 0.161 0.276 0.019  0.039  -0.011 239 GLU AAA N   
1919 C  CA  A GLU A 238 ? 0.045 0.164 0.278 0.037  0.022  -0.002 239 GLU AAA CA  
1920 C  C   . GLU A 238 ? 0.058 0.143 0.274 0.038  0.044  -0.005 239 GLU AAA C   
1921 O  O   . GLU A 238 ? 0.055 0.149 0.277 0.032  0.027  -0.002 239 GLU AAA O   
1922 C  CB  A GLU A 238 ? 0.086 0.231 0.313 -0.005 -0.023 -0.000 239 GLU AAA CB  
1923 C  CG  A GLU A 238 ? 0.095 0.327 0.401 0.039  -0.019 0.008  239 GLU AAA CG  
1924 C  CD  A GLU A 238 ? 0.144 0.376 0.700 0.007  -0.132 -0.058 239 GLU AAA CD  
1925 O  OE1 A GLU A 238 ? 0.499 0.417 0.790 0.030  -0.295 -0.117 239 GLU AAA OE1 
1926 O  OE2 A GLU A 238 ? 0.693 0.527 0.803 0.170  -0.377 -0.174 239 GLU AAA OE2 
1927 N  N   . LEU A 239 ? 0.051 0.153 0.231 0.032  0.035  -0.002 240 LEU AAA N   
1928 C  CA  . LEU A 239 ? 0.042 0.146 0.230 0.022  0.018  0.001  240 LEU AAA CA  
1929 C  C   . LEU A 239 ? 0.017 0.129 0.218 0.024  0.002  0.024  240 LEU AAA C   
1930 O  O   . LEU A 239 ? 0.033 0.160 0.250 0.047  -0.016 0.008  240 LEU AAA O   
1931 C  CB  . LEU A 239 ? 0.054 0.148 0.238 0.021  -0.002 -0.003 240 LEU AAA CB  
1932 C  CG  . LEU A 239 ? 0.052 0.161 0.288 0.011  -0.008 -0.038 240 LEU AAA CG  
1933 C  CD1 . LEU A 239 ? 0.168 0.118 0.445 0.026  -0.009 -0.034 240 LEU AAA CD1 
1934 C  CD2 . LEU A 239 ? 0.162 0.165 0.252 0.019  -0.003 -0.020 240 LEU AAA CD2 
1935 N  N   . MET A 240 ? 0.031 0.157 0.185 0.044  -0.010 0.014  241 MET AAA N   
1936 C  CA  . MET A 240 ? 0.032 0.136 0.198 0.022  0.006  -0.000 241 MET AAA CA  
1937 C  C   . MET A 240 ? 0.028 0.122 0.184 0.008  -0.004 -0.009 241 MET AAA C   
1938 O  O   . MET A 240 ? 0.024 0.167 0.218 0.012  0.006  0.006  241 MET AAA O   
1939 C  CB  . MET A 240 ? 0.052 0.132 0.195 0.015  -0.006 0.004  241 MET AAA CB  
1940 C  CG  . MET A 240 ? 0.048 0.132 0.219 0.002  0.005  -0.016 241 MET AAA CG  
1941 S  SD  . MET A 240 ? 0.054 0.129 0.253 0.005  0.015  -0.001 241 MET AAA SD  
1942 C  CE  . MET A 240 ? 0.058 0.145 0.238 0.003  0.017  0.002  241 MET AAA CE  
1943 N  N   . VAL A 241 ? 0.034 0.134 0.202 0.005  -0.003 0.009  242 VAL AAA N   
1944 C  CA  . VAL A 241 ? 0.025 0.121 0.206 0.016  0.001  0.004  242 VAL AAA CA  
1945 C  C   . VAL A 241 ? 0.027 0.109 0.210 -0.002 -0.007 -0.000 242 VAL AAA C   
1946 O  O   . VAL A 241 ? 0.027 0.122 0.218 -0.007 -0.007 0.004  242 VAL AAA O   
1947 C  CB  . VAL A 241 ? 0.067 0.114 0.207 -0.017 0.012  -0.002 242 VAL AAA CB  
1948 C  CG1 . VAL A 241 ? 0.064 0.156 0.226 0.011  0.005  -0.022 242 VAL AAA CG1 
1949 C  CG2 . VAL A 241 ? 0.076 0.142 0.234 0.003  0.014  -0.020 242 VAL AAA CG2 
1950 N  N   . ASP A 242 ? 0.045 0.092 0.194 -0.011 -0.007 0.002  243 ASP AAA N   
1951 C  CA  . ASP A 242 ? 0.033 0.086 0.190 0.032  0.003  0.003  243 ASP AAA CA  
1952 C  C   . ASP A 242 ? 0.008 0.097 0.197 0.011  -0.002 -0.003 243 ASP AAA C   
1953 O  O   . ASP A 242 ? 0.011 0.110 0.251 0.015  -0.023 0.002  243 ASP AAA O   
1954 C  CB  . ASP A 242 ? 0.009 0.109 0.226 0.016  -0.001 0.003  243 ASP AAA CB  
1955 C  CG  . ASP A 242 ? 0.057 0.095 0.216 0.023  0.015  -0.004 243 ASP AAA CG  
1956 O  OD1 . ASP A 242 ? 0.047 0.109 0.228 0.027  0.003  0.008  243 ASP AAA OD1 
1957 O  OD2 . ASP A 242 ? 0.050 0.114 0.281 0.022  0.022  -0.024 243 ASP AAA OD2 
1958 N  N   . ASN A 243 ? 0.008 0.087 0.197 0.013  -0.004 -0.019 244 ASN AAA N   
1959 C  CA  . ASN A 243 ? 0.007 0.093 0.183 0.002  -0.007 -0.003 244 ASN AAA CA  
1960 C  C   . ASN A 243 ? 0.010 0.089 0.175 -0.008 -0.023 -0.001 244 ASN AAA C   
1961 O  O   . ASN A 243 ? 0.055 0.108 0.204 0.029  0.010  0.002  244 ASN AAA O   
1962 C  CB  . ASN A 243 ? 0.006 0.113 0.184 -0.002 -0.004 -0.001 244 ASN AAA CB  
1963 C  CG  . ASN A 243 ? 0.008 0.097 0.210 -0.005 -0.014 0.014  244 ASN AAA CG  
1964 O  OD1 . ASN A 243 ? 0.006 0.116 0.233 0.002  -0.002 0.022  244 ASN AAA OD1 
1965 N  ND2 . ASN A 243 ? 0.033 0.151 0.270 -0.007 -0.054 0.065  244 ASN AAA ND2 
1966 N  N   . TRP A 244 ? 0.008 0.085 0.182 0.003  -0.016 0.003  245 TRP AAA N   
1967 C  CA  . TRP A 244 ? 0.008 0.100 0.194 -0.002 -0.014 -0.009 245 TRP AAA CA  
1968 C  C   . TRP A 244 ? 0.007 0.086 0.203 0.006  -0.006 0.002  245 TRP AAA C   
1969 O  O   . TRP A 244 ? 0.013 0.102 0.226 0.023  -0.017 -0.007 245 TRP AAA O   
1970 C  CB  . TRP A 244 ? 0.007 0.092 0.189 0.003  -0.012 -0.004 245 TRP AAA CB  
1971 C  CG  . TRP A 244 ? 0.007 0.108 0.209 0.008  -0.005 0.001  245 TRP AAA CG  
1972 C  CD1 . TRP A 244 ? 0.007 0.110 0.234 0.010  -0.001 -0.009 245 TRP AAA CD1 
1973 C  CD2 . TRP A 244 ? 0.030 0.083 0.178 -0.008 -0.009 0.009  245 TRP AAA CD2 
1974 N  NE1 . TRP A 244 ? 0.036 0.107 0.196 0.018  -0.005 -0.008 245 TRP AAA NE1 
1975 C  CE2 . TRP A 244 ? 0.030 0.086 0.200 -0.009 -0.013 0.007  245 TRP AAA CE2 
1976 C  CE3 . TRP A 244 ? 0.039 0.102 0.209 0.009  0.003  0.006  245 TRP AAA CE3 
1977 C  CZ2 . TRP A 244 ? 0.056 0.087 0.221 0.007  -0.004 0.007  245 TRP AAA CZ2 
1978 C  CZ3 . TRP A 244 ? 0.052 0.126 0.224 0.006  -0.016 0.026  245 TRP AAA CZ3 
1979 C  CH2 . TRP A 244 ? 0.085 0.115 0.239 0.020  -0.016 0.031  245 TRP AAA CH2 
1980 N  N   . ARG A 245 ? 0.007 0.124 0.179 -0.001 -0.008 -0.014 246 ARG AAA N   
1981 C  CA  . ARG A 245 ? 0.007 0.110 0.199 -0.001 -0.013 -0.000 246 ARG AAA CA  
1982 C  C   . ARG A 245 ? 0.007 0.102 0.206 -0.001 -0.012 0.010  246 ARG AAA C   
1983 O  O   . ARG A 245 ? 0.007 0.136 0.221 -0.011 0.002  -0.005 246 ARG AAA O   
1984 C  CB  . ARG A 245 ? 0.007 0.125 0.197 0.000  -0.009 -0.021 246 ARG AAA CB  
1985 C  CG  . ARG A 245 ? 0.007 0.135 0.248 -0.008 -0.009 -0.004 246 ARG AAA CG  
1986 C  CD  . ARG A 245 ? 0.010 0.152 0.249 -0.018 -0.015 -0.014 246 ARG AAA CD  
1987 N  NE  . ARG A 245 ? 0.008 0.160 0.258 0.004  -0.023 -0.034 246 ARG AAA NE  
1988 C  CZ  . ARG A 245 ? 0.008 0.169 0.212 -0.017 -0.000 -0.011 246 ARG AAA CZ  
1989 N  NH1 . ARG A 245 ? 0.007 0.146 0.219 -0.011 0.005  -0.022 246 ARG AAA NH1 
1990 N  NH2 . ARG A 245 ? 0.009 0.171 0.235 -0.017 -0.011 -0.014 246 ARG AAA NH2 
1991 N  N   . PRO A 246 ? 0.021 0.116 0.205 0.027  -0.003 0.008  247 PRO AAA N   
1992 C  CA  . PRO A 246 ? 0.032 0.159 0.193 0.005  -0.015 -0.003 247 PRO AAA CA  
1993 C  C   . PRO A 246 ? 0.034 0.121 0.189 0.010  -0.015 0.015  247 PRO AAA C   
1994 O  O   . PRO A 246 ? 0.012 0.121 0.239 -0.005 -0.007 -0.002 247 PRO AAA O   
1995 C  CB  . PRO A 246 ? 0.085 0.177 0.238 0.030  -0.016 0.037  247 PRO AAA CB  
1996 C  CG  . PRO A 246 ? 0.040 0.217 0.328 0.048  -0.007 0.039  247 PRO AAA CG  
1997 C  CD  . PRO A 246 ? 0.015 0.128 0.283 0.031  -0.012 -0.001 247 PRO AAA CD  
1998 N  N   . ALA A 247 ? 0.056 0.123 0.185 0.005  -0.006 0.019  248 ALA AAA N   
1999 C  CA  . ALA A 247 ? 0.031 0.138 0.205 -0.004 -0.015 -0.006 248 ALA AAA CA  
2000 C  C   . ALA A 247 ? 0.014 0.137 0.205 0.011  -0.023 0.008  248 ALA AAA C   
2001 O  O   . ALA A 247 ? 0.052 0.148 0.239 0.043  -0.026 -0.006 248 ALA AAA O   
2002 C  CB  . ALA A 247 ? 0.009 0.177 0.241 -0.012 -0.010 -0.012 248 ALA AAA CB  
2003 N  N   . GLN A 248 ? 0.017 0.138 0.212 0.007  -0.015 0.007  249 GLN AAA N   
2004 C  CA  . GLN A 248 ? 0.011 0.144 0.210 0.024  -0.011 -0.002 249 GLN AAA CA  
2005 C  C   . GLN A 248 ? 0.021 0.138 0.203 0.004  -0.022 0.013  249 GLN AAA C   
2006 O  O   . GLN A 248 ? 0.030 0.159 0.211 0.002  0.001  0.002  249 GLN AAA O   
2007 C  CB  . GLN A 248 ? 0.008 0.124 0.236 0.014  -0.002 -0.031 249 GLN AAA CB  
2008 C  CG  . GLN A 248 ? 0.050 0.121 0.227 0.006  -0.004 0.005  249 GLN AAA CG  
2009 C  CD  . GLN A 248 ? 0.008 0.206 0.194 -0.013 0.000  0.010  249 GLN AAA CD  
2010 O  OE1 . GLN A 248 ? 0.059 0.240 0.223 0.016  -0.018 -0.012 249 GLN AAA OE1 
2011 N  NE2 . GLN A 248 ? 0.012 0.188 0.247 -0.028 -0.000 -0.012 249 GLN AAA NE2 
2012 N  N   . PRO A 249 ? 0.023 0.195 0.208 0.050  -0.030 -0.012 250 PRO AAA N   
2013 C  CA  . PRO A 249 ? 0.059 0.193 0.227 0.062  -0.023 0.007  250 PRO AAA CA  
2014 C  C   . PRO A 249 ? 0.045 0.153 0.203 0.043  -0.035 0.014  250 PRO AAA C   
2015 O  O   . PRO A 249 ? 0.026 0.154 0.227 0.039  -0.020 0.016  250 PRO AAA O   
2016 C  CB  . PRO A 249 ? 0.072 0.306 0.250 0.091  -0.073 -0.017 250 PRO AAA CB  
2017 C  CG  . PRO A 249 ? 0.091 0.327 0.242 -0.002 -0.056 -0.045 250 PRO AAA CG  
2018 C  CD  . PRO A 249 ? 0.030 0.260 0.301 0.065  -0.058 -0.046 250 PRO AAA CD  
2019 N  N   . LEU A 250 ? 0.102 0.162 0.217 0.042  -0.009 0.010  251 LEU AAA N   
2020 C  CA  . LEU A 250 ? 0.069 0.139 0.222 0.034  -0.017 0.023  251 LEU AAA CA  
2021 C  C   . LEU A 250 ? 0.016 0.156 0.227 0.020  -0.009 0.010  251 LEU AAA C   
2022 O  O   . LEU A 250 ? 0.041 0.158 0.222 0.033  -0.033 0.004  251 LEU AAA O   
2023 C  CB  . LEU A 250 ? 0.081 0.206 0.290 0.016  0.011  0.032  251 LEU AAA CB  
2024 C  CG  . LEU A 250 ? 0.051 0.212 0.294 -0.008 -0.004 -0.002 251 LEU AAA CG  
2025 C  CD1 . LEU A 250 ? 0.055 0.239 0.273 -0.002 -0.024 -0.063 251 LEU AAA CD1 
2026 C  CD2 . LEU A 250 ? 0.155 0.224 0.313 -0.043 0.052  -0.002 251 LEU AAA CD2 
2027 N  N   . LYS A 251 ? 0.051 0.215 0.213 0.044  -0.022 0.003  252 LYS AAA N   
2028 C  CA  . LYS A 251 ? 0.070 0.245 0.200 0.050  -0.046 -0.007 252 LYS AAA CA  
2029 C  C   . LYS A 251 ? 0.082 0.243 0.231 0.056  -0.041 -0.015 252 LYS AAA C   
2030 O  O   . LYS A 251 ? 0.150 0.356 0.255 -0.014 -0.000 0.013  252 LYS AAA O   
2031 C  CB  . LYS A 251 ? 0.151 0.219 0.255 0.020  -0.065 -0.044 252 LYS AAA CB  
2032 C  CG  . LYS A 251 ? 0.237 0.291 0.313 0.015  0.070  -0.054 252 LYS AAA CG  
2033 C  CD  . LYS A 251 ? 0.200 0.342 0.439 0.015  0.015  -0.034 252 LYS AAA CD  
2034 C  CE  . LYS A 251 ? 0.103 0.415 0.511 0.081  -0.085 -0.039 252 LYS AAA CE  
2035 N  NZ  . LYS A 251 ? 0.208 0.489 0.685 -0.056 0.015  -0.134 252 LYS AAA NZ  
2036 N  N   . ASN A 252 ? 0.063 0.258 0.261 0.008  -0.019 -0.046 253 ASN AAA N   
2037 C  CA  . ASN A 252 ? 0.120 0.349 0.262 0.052  -0.021 -0.053 253 ASN AAA CA  
2038 C  C   . ASN A 252 ? 0.142 0.300 0.268 0.017  -0.061 -0.064 253 ASN AAA C   
2039 O  O   . ASN A 252 ? 0.236 0.282 0.391 0.020  -0.026 -0.099 253 ASN AAA O   
2040 C  CB  . ASN A 252 ? 0.114 0.376 0.337 0.061  -0.114 -0.087 253 ASN AAA CB  
2041 C  CG  . ASN A 252 ? 0.332 0.356 0.343 0.027  -0.027 -0.078 253 ASN AAA CG  
2042 O  OD1 . ASN A 252 ? 0.399 0.483 0.473 0.013  0.077  -0.001 253 ASN AAA OD1 
2043 N  ND2 . ASN A 252 ? 0.286 0.312 0.459 -0.010 -0.059 -0.099 253 ASN AAA ND2 
2044 N  N   . ARG A 253 ? 0.029 0.222 0.257 0.001  -0.005 -0.006 254 ARG AAA N   
2045 C  CA  . ARG A 253 ? 0.045 0.159 0.229 0.003  -0.012 -0.007 254 ARG AAA CA  
2046 C  C   . ARG A 253 ? 0.042 0.171 0.273 0.018  0.010  -0.009 254 ARG AAA C   
2047 O  O   . ARG A 253 ? 0.103 0.197 0.330 0.018  0.035  0.024  254 ARG AAA O   
2048 C  CB  . ARG A 253 ? 0.022 0.152 0.227 0.007  -0.026 -0.008 254 ARG AAA CB  
2049 C  CG  . ARG A 253 ? 0.042 0.139 0.220 0.008  -0.031 -0.016 254 ARG AAA CG  
2050 C  CD  . ARG A 253 ? 0.037 0.154 0.215 0.032  -0.010 -0.001 254 ARG AAA CD  
2051 N  NE  . ARG A 253 ? 0.026 0.127 0.205 0.025  -0.032 -0.004 254 ARG AAA NE  
2052 C  CZ  . ARG A 253 ? 0.007 0.134 0.191 0.001  -0.014 -0.004 254 ARG AAA CZ  
2053 N  NH1 . ARG A 253 ? 0.008 0.138 0.185 -0.004 -0.017 0.008  254 ARG AAA NH1 
2054 N  NH2 . ARG A 253 ? 0.009 0.159 0.190 0.019  -0.009 0.007  254 ARG AAA NH2 
2055 N  N   . GLN A 254 ? 0.029 0.213 0.257 0.010  -0.004 -0.044 255 GLN AAA N   
2056 C  CA  . GLN A 254 ? 0.047 0.290 0.288 -0.032 -0.033 -0.055 255 GLN AAA CA  
2057 C  C   . GLN A 254 ? 0.076 0.196 0.238 0.003  -0.011 -0.020 255 GLN AAA C   
2058 O  O   . GLN A 254 ? 0.133 0.190 0.404 -0.019 -0.074 -0.007 255 GLN AAA O   
2059 C  CB  . GLN A 254 ? 0.168 0.580 0.267 -0.047 0.046  -0.074 255 GLN AAA CB  
2060 C  CG  . GLN A 254 ? 0.288 0.605 0.320 0.061  0.026  -0.115 255 GLN AAA CG  
2061 C  CD  . GLN A 254 ? 0.321 0.481 0.476 0.153  0.167  0.032  255 GLN AAA CD  
2062 O  OE1 . GLN A 254 ? 0.466 0.417 0.772 0.175  0.064  -0.112 255 GLN AAA OE1 
2063 N  NE2 . GLN A 254 ? 0.558 0.430 0.632 0.084  0.192  0.090  255 GLN AAA NE2 
2064 N  N   . ILE A 255 ? 0.043 0.184 0.206 -0.019 -0.007 -0.009 256 ILE AAA N   
2065 C  CA  . ILE A 255 ? 0.025 0.164 0.215 0.007  -0.012 0.006  256 ILE AAA CA  
2066 C  C   . ILE A 255 ? 0.017 0.146 0.234 0.009  -0.010 0.015  256 ILE AAA C   
2067 O  O   . ILE A 255 ? 0.041 0.178 0.265 0.036  0.014  0.041  256 ILE AAA O   
2068 C  CB  . ILE A 255 ? 0.027 0.147 0.249 -0.003 -0.031 -0.006 256 ILE AAA CB  
2069 C  CG1 . ILE A 255 ? 0.016 0.165 0.293 0.024  -0.043 -0.020 256 ILE AAA CG1 
2070 C  CG2 . ILE A 255 ? 0.030 0.212 0.229 0.009  -0.012 -0.028 256 ILE AAA CG2 
2071 C  CD1 . ILE A 255 ? 0.078 0.163 0.291 -0.006 -0.015 -0.004 256 ILE AAA CD1 
2072 N  N   . LYS A 256 ? 0.022 0.152 0.203 0.022  0.009  -0.003 257 LYS AAA N   
2073 C  CA  . LYS A 256 ? 0.009 0.162 0.215 0.007  -0.007 -0.005 257 LYS AAA CA  
2074 C  C   . LYS A 256 ? 0.007 0.147 0.191 0.003  0.014  -0.002 257 LYS AAA C   
2075 O  O   . LYS A 256 ? 0.049 0.195 0.183 -0.042 0.013  -0.003 257 LYS AAA O   
2076 C  CB  . LYS A 256 ? 0.051 0.172 0.250 0.018  0.027  -0.021 257 LYS AAA CB  
2077 C  CG  . LYS A 256 ? 0.130 0.253 0.290 -0.069 0.041  -0.049 257 LYS AAA CG  
2078 C  CD  . LYS A 256 ? 0.287 0.311 0.447 -0.023 0.077  -0.102 257 LYS AAA CD  
2079 C  CE  . LYS A 256 ? 0.350 0.416 0.552 -0.086 0.046  -0.121 257 LYS AAA CE  
2080 N  NZ  . LYS A 256 ? 0.449 0.457 0.718 -0.107 0.234  0.051  257 LYS AAA NZ  
2081 N  N   . ALA A 257 ? 0.029 0.194 0.188 -0.029 0.031  -0.005 258 ALA AAA N   
2082 C  CA  . ALA A 257 ? 0.023 0.177 0.209 -0.030 0.034  -0.016 258 ALA AAA CA  
2083 C  C   . ALA A 257 ? 0.044 0.175 0.198 -0.020 0.038  0.010  258 ALA AAA C   
2084 O  O   . ALA A 257 ? 0.022 0.215 0.220 -0.007 0.022  -0.023 258 ALA AAA O   
2085 C  CB  . ALA A 257 ? 0.071 0.170 0.230 -0.043 0.019  -0.011 258 ALA AAA CB  
2086 N  N   . SER A 258 ? 0.043 0.156 0.188 -0.001 0.017  -0.018 259 SER AAA N   
2087 C  CA  . SER A 258 ? 0.033 0.157 0.259 0.000  0.025  -0.008 259 SER AAA CA  
2088 C  C   . SER A 258 ? 0.029 0.204 0.223 -0.011 0.003  0.005  259 SER AAA C   
2089 O  O   . SER A 258 ? 0.025 0.290 0.305 -0.001 0.035  0.004  259 SER AAA O   
2090 C  CB  . SER A 258 ? 0.017 0.166 0.253 -0.005 0.003  0.007  259 SER AAA CB  
2091 O  OG  . SER A 258 ? 0.028 0.183 0.260 -0.018 0.017  -0.003 259 SER AAA OG  
2092 N  N   . PHE A 259 ? 0.012 0.198 0.263 -0.027 0.019  0.009  260 PHE AAA N   
2093 C  CA  . PHE A 259 ? 0.016 0.261 0.332 -0.047 -0.017 0.017  260 PHE AAA CA  
2094 C  C   . PHE A 259 ? 0.248 0.345 0.277 -0.165 -0.053 0.010  260 PHE AAA C   
2095 O  O   . PHE A 259 ? 0.254 0.327 0.275 -0.149 -0.056 0.084  260 PHE AAA O   
2096 C  CB  . PHE A 259 ? 0.062 0.196 0.326 -0.035 0.000  -0.001 260 PHE AAA CB  
2097 C  CG  . PHE A 259 ? 0.079 0.183 0.303 -0.022 0.021  0.024  260 PHE AAA CG  
2098 C  CD1 . PHE A 259 ? 0.046 0.154 0.271 -0.018 -0.005 -0.001 260 PHE AAA CD1 
2099 C  CD2 . PHE A 259 ? 0.105 0.212 0.420 -0.058 0.014  0.069  260 PHE AAA CD2 
2100 C  CE1 . PHE A 259 ? 0.052 0.184 0.288 -0.011 -0.001 -0.010 260 PHE AAA CE1 
2101 C  CE2 . PHE A 259 ? 0.159 0.203 0.416 -0.020 0.009  0.046  260 PHE AAA CE2 
2102 C  CZ  . PHE A 259 ? 0.071 0.214 0.386 0.018  -0.008 0.017  260 PHE AAA CZ  
2103 N  N   . LYS A 260 ? 0.247 0.470 0.490 -0.211 -0.042 0.091  261 LYS AAA N   
2104 C  CA  . LYS A 260 ? 0.791 0.610 0.700 -0.200 -0.316 0.242  261 LYS AAA CA  
2105 C  C   . LYS A 260 ? 0.581 0.649 0.853 -0.270 -0.159 0.317  261 LYS AAA C   
2106 O  O   . LYS A 260 ? 0.556 0.830 0.677 -0.250 0.038  0.347  261 LYS AAA O   
2107 C  CB  . LYS A 260 ? 0.904 0.558 0.705 -0.124 -0.274 0.127  261 LYS AAA CB  
2108 C  CG  . LYS A 260 ? 0.466 0.697 0.894 0.008  0.295  0.061  261 LYS AAA CG  
2109 O  OXT . LYS A 260 ? 1.070 0.972 1.200 -0.299 -0.553 0.478  261 LYS AAA OXT 
2110 C  C1  . GOL B .   ? 0.032 0.216 0.288 0.028  -0.022 0.023  301 GOL AAA C1  
2111 O  O1  . GOL B .   ? 0.040 0.213 0.282 0.028  -0.015 -0.016 301 GOL AAA O1  
2112 C  C2  . GOL B .   ? 0.055 0.166 0.274 0.031  0.016  -0.006 301 GOL AAA C2  
2113 O  O2  . GOL B .   ? 0.069 0.170 0.254 0.011  -0.022 -0.002 301 GOL AAA O2  
2114 C  C3  . GOL B .   ? 0.067 0.182 0.329 0.006  -0.052 -0.003 301 GOL AAA C3  
2115 O  O3  . GOL B .   ? 0.043 0.202 0.385 0.028  -0.061 -0.030 301 GOL AAA O3  
2116 C  C1  . EDO C .   ? 0.280 0.266 0.349 0.124  0.051  -0.021 302 EDO AAA C1  
2117 O  O1  . EDO C .   ? 0.210 0.281 0.322 0.179  -0.063 -0.031 302 EDO AAA O1  
2118 C  C2  . EDO C .   ? 0.121 0.345 0.413 0.096  0.009  0.004  302 EDO AAA C2  
2119 O  O2  . EDO C .   ? 0.081 0.192 0.431 0.041  -0.020 -0.017 302 EDO AAA O2  
2120 ZN ZN  . ZN  D .   ? 0.007 0.100 0.222 0.001  -0.011 -0.001 303 ZN  AAA ZN  
2121 O  O1  . XNF E .   ? 1.359 0.882 1.573 -0.810 0.072  0.739  304 XNF AAA O1  
2122 P  P2  . XNF E .   ? 1.682 0.930 1.117 -0.027 -0.045 -0.024 304 XNF AAA P2  
2123 O  O3  . XNF E .   ? 1.314 0.863 1.767 0.150  -0.059 -0.056 304 XNF AAA O3  
2124 C  C4  . XNF E .   ? 1.228 1.128 1.174 0.282  0.122  0.545  304 XNF AAA C4  
2125 O  O5  . XNF E .   ? 0.883 1.310 1.938 0.219  -0.724 -0.436 304 XNF AAA O5  
2126 C  C6  . XNF E .   ? 1.534 0.746 0.657 0.359  0.128  0.275  304 XNF AAA C6  
2127 C  C7  . XNF E .   ? 0.404 0.643 0.913 0.010  -0.102 -0.344 304 XNF AAA C7  
2128 C  C8  . XNF E .   ? 0.230 0.449 0.408 0.097  -0.046 0.057  304 XNF AAA C8  
2129 C  C9  . XNF E .   ? 0.112 0.328 0.383 -0.067 -0.042 0.098  304 XNF AAA C9  
2130 C  C10 . XNF E .   ? 0.101 0.251 0.296 -0.010 0.010  0.054  304 XNF AAA C10 
2131 C  C11 . XNF E .   ? 0.127 0.246 0.300 -0.029 0.024  0.030  304 XNF AAA C11 
2132 C  C12 . XNF E .   ? 0.125 0.294 0.355 -0.013 -0.007 -0.052 304 XNF AAA C12 
2133 P  P13 . XNF E .   ? 0.257 0.237 0.448 -0.072 -0.124 0.041  304 XNF AAA P13 
2134 O  O14 . XNF E .   ? 0.326 0.511 0.432 -0.071 -0.078 -0.056 304 XNF AAA O14 
2135 C  C15 . XNF E .   ? 0.509 0.594 0.684 -0.070 -0.146 0.117  304 XNF AAA C15 
2136 O  O16 . XNF E .   ? 0.336 0.217 0.560 -0.048 -0.027 0.054  304 XNF AAA O16 
2137 C  C17 . XNF E .   ? 0.721 0.471 0.709 0.052  -0.126 0.123  304 XNF AAA C17 
2138 O  O18 . XNF E .   ? 0.426 0.359 0.710 -0.171 -0.325 0.062  304 XNF AAA O18 
2139 N  N19 . XNF E .   ? 0.130 0.225 0.472 0.032  0.003  0.066  304 XNF AAA N19 
2140 C  C20 . XNF E .   ? 0.180 0.178 0.251 -0.044 -0.032 0.017  304 XNF AAA C20 
2141 C  C21 . XNF E .   ? 0.061 0.177 0.256 -0.049 0.020  -0.006 304 XNF AAA C21 
2142 C  C22 . XNF E .   ? 0.019 0.137 0.242 -0.020 -0.038 0.006  304 XNF AAA C22 
2143 C  C23 . XNF E .   ? 0.019 0.105 0.228 -0.012 -0.039 -0.005 304 XNF AAA C23 
2144 S  S24 . XNF E .   ? 0.011 0.107 0.221 0.001  -0.031 -0.006 304 XNF AAA S24 
2145 O  O25 . XNF E .   ? 0.013 0.117 0.215 0.007  -0.036 -0.000 304 XNF AAA O25 
2146 N  N26 . XNF E .   ? 0.022 0.149 0.315 -0.036 -0.047 0.010  304 XNF AAA N26 
2147 O  O27 . XNF E .   ? 0.013 0.095 0.226 0.021  -0.020 -0.002 304 XNF AAA O27 
2148 C  C28 . XNF E .   ? 0.080 0.112 0.263 0.010  -0.034 0.013  304 XNF AAA C28 
2149 C  C29 . XNF E .   ? 0.170 0.128 0.320 0.025  -0.036 0.036  304 XNF AAA C29 
2150 C  C30 . XNF E .   ? 0.076 0.308 0.313 0.010  0.003  -0.012 304 XNF AAA C30 
2151 C  C31 . XNF E .   ? 0.213 0.241 0.380 0.051  -0.015 -0.059 304 XNF AAA C31 
2152 N  N32 . XNF E .   ? 0.870 0.294 0.622 -0.247 -0.206 -0.001 304 XNF AAA N32 
2153 C  C33 . XNF E .   ? 0.913 0.701 0.795 -0.271 -0.334 -0.007 304 XNF AAA C33 
2154 C  C34 . XNF E .   ? 1.056 0.857 1.510 -0.062 0.286  0.207  304 XNF AAA C34 
2155 C  C35 . XNF E .   ? 1.878 0.833 1.179 -0.158 0.631  -0.301 304 XNF AAA C35 
2156 C  C36 . XNF E .   ? 1.812 2.421 2.007 0.644  0.194  -0.653 304 XNF AAA C36 
2157 S  S37 . XNF E .   ? 1.844 2.096 2.454 -0.229 -0.059 -0.961 304 XNF AAA S37 
2158 O  O38 . XNF E .   ? 1.371 3.040 2.861 -1.213 -0.863 -1.061 304 XNF AAA O38 
2159 N  N39 . XNF E .   ? 0.835 2.341 0.112 0.300  -0.254 -0.342 304 XNF AAA N39 
2160 O  O40 . XNF E .   ? 1.373 0.498 1.177 0.354  1.143  0.181  304 XNF AAA O40 
2161 C  C41 . XNF E .   ? 0.177 0.667 0.417 -0.167 -0.023 0.006  304 XNF AAA C41 
2162 C  C42 . XNF E .   ? 0.565 0.338 0.545 0.046  -0.079 -0.115 304 XNF AAA C42 
2163 O  O   . HOH F .   ? 0.260 0.181 0.411 -0.007 -0.005 -0.011 401 HOH AAA O   
2164 O  O   . HOH F .   ? 0.180 0.492 0.513 0.125  -0.092 0.045  402 HOH AAA O   
2165 O  O   . HOH F .   ? 0.808 0.339 0.540 -0.090 0.413  -0.072 403 HOH AAA O   
2166 O  O   . HOH F .   ? 0.536 0.434 0.365 0.024  -0.047 -0.029 404 HOH AAA O   
2167 O  O   . HOH F .   ? 0.175 0.470 0.519 -0.114 -0.030 0.016  405 HOH AAA O   
2168 O  O   . HOH F .   ? 0.516 0.244 0.528 -0.000 0.010  0.044  406 HOH AAA O   
2169 O  O   . HOH F .   ? 0.404 0.370 0.374 -0.118 0.222  -0.086 407 HOH AAA O   
2170 O  O   . HOH F .   ? 0.413 0.492 0.523 -0.115 -0.118 0.154  408 HOH AAA O   
2171 O  O   . HOH F .   ? 0.461 0.405 0.666 -0.103 0.176  -0.273 409 HOH AAA O   
2172 O  O   . HOH F .   ? 0.210 0.595 0.620 0.007  -0.085 -0.040 410 HOH AAA O   
2173 O  O   . HOH F .   ? 0.859 0.885 0.514 0.538  -0.267 -0.178 411 HOH AAA O   
2174 O  O   . HOH F .   ? 0.287 0.312 0.645 -0.009 -0.215 -0.087 412 HOH AAA O   
2175 O  O   . HOH F .   ? 0.193 0.567 0.528 -0.139 -0.229 0.262  413 HOH AAA O   
2176 O  O   . HOH F .   ? 0.312 0.482 0.446 0.042  -0.069 0.013  414 HOH AAA O   
2177 O  O   . HOH F .   ? 0.307 0.522 0.478 0.043  -0.011 0.209  415 HOH AAA O   
2178 O  O   . HOH F .   ? 0.007 0.141 0.193 0.005  -0.011 0.005  416 HOH AAA O   
2179 O  O   . HOH F .   ? 0.051 0.119 0.222 0.014  -0.012 -0.009 417 HOH AAA O   
2180 O  O   . HOH F .   ? 0.102 0.224 0.318 -0.008 -0.067 -0.005 418 HOH AAA O   
2181 O  O   . HOH F .   ? 0.132 0.232 0.384 -0.002 -0.036 0.009  419 HOH AAA O   
2182 O  O   . HOH F .   ? 0.270 0.407 0.297 -0.081 -0.094 0.036  420 HOH AAA O   
2183 O  O   . HOH F .   ? 0.140 0.430 0.271 -0.126 -0.064 -0.007 421 HOH AAA O   
2184 O  O   . HOH F .   ? 0.153 0.153 0.328 0.004  0.032  0.019  422 HOH AAA O   
2185 O  O   . HOH F .   ? 0.123 0.373 0.466 0.049  0.044  0.040  423 HOH AAA O   
2186 O  O   . HOH F .   ? 0.250 0.380 0.398 -0.033 0.001  -0.028 424 HOH AAA O   
2187 O  O   . HOH F .   ? 0.144 0.367 0.452 0.050  0.091  0.079  425 HOH AAA O   
2188 O  O   . HOH F .   ? 0.154 0.653 0.512 0.033  0.067  -0.033 426 HOH AAA O   
2189 O  O   . HOH F .   ? 0.184 0.367 0.400 0.126  0.010  0.107  427 HOH AAA O   
2190 O  O   . HOH F .   ? 0.497 0.239 0.873 -0.180 0.014  0.043  428 HOH AAA O   
2191 O  O   . HOH F .   ? 0.115 0.206 0.395 0.033  -0.003 -0.022 429 HOH AAA O   
2192 O  O   . HOH F .   ? 0.305 0.536 0.514 -0.181 0.145  -0.259 430 HOH AAA O   
2193 O  O   . HOH F .   ? 0.150 0.429 0.439 0.061  -0.102 -0.201 431 HOH AAA O   
2194 O  O   . HOH F .   ? 0.343 0.394 0.293 -0.148 0.080  -0.101 432 HOH AAA O   
2195 O  O   . HOH F .   ? 0.260 0.411 0.526 -0.015 -0.119 0.117  433 HOH AAA O   
2196 O  O   . HOH F .   ? 0.179 0.363 0.269 -0.132 0.010  0.002  434 HOH AAA O   
2197 O  O   . HOH F .   ? 0.062 0.578 0.480 0.049  -0.068 -0.166 435 HOH AAA O   
2198 O  O   . HOH F .   ? 0.161 0.258 0.363 0.057  -0.091 -0.024 436 HOH AAA O   
2199 O  O   . HOH F .   ? 0.170 0.329 0.794 -0.011 -0.006 0.138  437 HOH AAA O   
2200 O  O   . HOH F .   ? 0.351 0.218 0.312 -0.049 -0.011 0.058  438 HOH AAA O   
2201 O  O   . HOH F .   ? 0.064 0.120 0.243 -0.004 -0.020 -0.007 439 HOH AAA O   
2202 O  O   . HOH F .   ? 0.337 0.297 0.533 0.022  0.187  0.075  440 HOH AAA O   
2203 O  O   . HOH F .   ? 0.196 0.485 0.622 0.041  0.126  0.061  441 HOH AAA O   
2204 O  O   . HOH F .   ? 0.169 0.458 0.563 0.031  0.131  0.125  442 HOH AAA O   
2205 O  O   . HOH F .   ? 0.217 0.532 0.399 0.037  0.018  -0.120 443 HOH AAA O   
2206 O  O   . HOH F .   ? 0.233 0.224 0.294 -0.104 -0.018 0.010  444 HOH AAA O   
2207 O  O   . HOH F .   ? 0.252 0.236 0.391 -0.045 -0.084 0.089  445 HOH AAA O   
2208 O  O   . HOH F .   ? 0.095 0.221 0.260 0.014  0.031  0.024  446 HOH AAA O   
2209 O  O   . HOH F .   ? 0.056 0.140 0.235 0.000  0.002  -0.010 447 HOH AAA O   
2210 O  O   . HOH F .   ? 0.105 0.381 0.518 -0.006 0.016  0.055  448 HOH AAA O   
2211 O  O   . HOH F .   ? 0.175 0.381 0.500 0.088  -0.107 -0.107 449 HOH AAA O   
2212 O  O   . HOH F .   ? 0.494 0.613 0.460 0.078  0.049  0.005  450 HOH AAA O   
2213 O  O   . HOH F .   ? 0.154 0.639 0.408 0.090  0.005  0.241  451 HOH AAA O   
2214 O  O   . HOH F .   ? 0.025 0.184 0.248 -0.003 -0.038 0.009  452 HOH AAA O   
2215 O  O   . HOH F .   ? 0.203 0.268 0.323 0.042  0.008  -0.077 453 HOH AAA O   
2216 O  O   . HOH F .   ? 0.092 0.332 0.357 0.075  -0.052 -0.014 454 HOH AAA O   
2217 O  O   . HOH F .   ? 0.151 0.131 0.304 -0.021 0.018  -0.017 455 HOH AAA O   
2218 O  O   . HOH F .   ? 0.350 0.328 0.463 -0.072 0.056  -0.034 456 HOH AAA O   
2219 O  O   . HOH F .   ? 0.129 0.363 0.397 0.023  0.000  -0.047 457 HOH AAA O   
2220 O  O   . HOH F .   ? 0.249 0.327 0.362 -0.044 0.040  -0.074 458 HOH AAA O   
2221 O  O   . HOH F .   ? 0.189 0.543 0.309 -0.106 -0.034 0.001  459 HOH AAA O   
2222 O  O   . HOH F .   ? 0.141 0.342 0.563 0.075  -0.102 -0.050 460 HOH AAA O   
2223 O  O   . HOH F .   ? 0.018 0.132 0.222 -0.005 0.016  0.006  461 HOH AAA O   
2224 O  O   . HOH F .   ? 0.419 0.369 0.272 0.139  -0.039 -0.016 462 HOH AAA O   
2225 O  O   . HOH F .   ? 0.157 0.658 0.361 -0.120 -0.067 0.021  463 HOH AAA O   
2226 O  O   . HOH F .   ? 0.142 0.392 0.469 -0.055 -0.030 0.132  464 HOH AAA O   
2227 O  O   . HOH F .   ? 0.599 0.446 0.581 -0.208 -0.218 -0.111 465 HOH AAA O   
2228 O  O   . HOH F .   ? 0.025 0.203 0.280 0.025  0.013  -0.002 466 HOH AAA O   
2229 O  O   . HOH F .   ? 0.048 0.130 0.217 0.011  -0.027 -0.013 467 HOH AAA O   
2230 O  O   . HOH F .   ? 0.131 0.221 0.411 -0.006 -0.012 0.074  468 HOH AAA O   
2231 O  O   . HOH F .   ? 0.031 0.170 0.216 0.029  0.001  -0.002 469 HOH AAA O   
2232 O  O   . HOH F .   ? 0.174 0.378 0.457 0.126  0.080  0.039  470 HOH AAA O   
2233 O  O   . HOH F .   ? 0.272 0.276 0.257 0.071  -0.009 0.005  471 HOH AAA O   
2234 O  O   . HOH F .   ? 0.184 0.231 0.348 -0.122 0.010  -0.053 472 HOH AAA O   
2235 O  O   . HOH F .   ? 0.008 0.196 0.330 -0.013 -0.017 -0.047 473 HOH AAA O   
2236 O  O   . HOH F .   ? 0.079 0.216 0.369 0.021  -0.075 0.023  474 HOH AAA O   
2237 O  O   . HOH F .   ? 0.133 0.153 0.489 0.036  -0.040 -0.012 475 HOH AAA O   
2238 O  O   . HOH F .   ? 0.451 0.320 0.272 0.063  0.004  -0.010 476 HOH AAA O   
2239 O  O   . HOH F .   ? 0.224 0.360 0.497 -0.048 -0.023 0.014  477 HOH AAA O   
2240 O  O   . HOH F .   ? 0.254 0.613 0.321 0.061  0.011  0.029  478 HOH AAA O   
2241 O  O   . HOH F .   ? 0.149 0.376 0.395 0.041  0.051  0.077  479 HOH AAA O   
2242 O  O   . HOH F .   ? 0.111 0.323 0.513 0.020  -0.010 0.008  480 HOH AAA O   
2243 O  O   . HOH F .   ? 0.118 0.280 0.394 -0.012 0.073  0.016  481 HOH AAA O   
2244 O  O   . HOH F .   ? 0.203 0.653 0.587 -0.117 -0.130 0.023  482 HOH AAA O   
2245 O  O   . HOH F .   ? 0.740 0.634 0.429 -0.155 -0.056 0.144  483 HOH AAA O   
2246 O  O   . HOH F .   ? 0.462 0.503 0.366 -0.068 -0.112 0.185  484 HOH AAA O   
2247 O  O   . HOH F .   ? 0.284 0.596 0.529 0.208  0.047  0.010  485 HOH AAA O   
2248 O  O   . HOH F .   ? 0.289 0.649 0.420 0.031  -0.059 -0.062 486 HOH AAA O   
2249 O  O   . HOH F .   ? 0.119 0.192 0.608 0.005  0.109  -0.063 487 HOH AAA O   
2250 O  O   . HOH F .   ? 0.251 0.479 0.471 -0.017 0.107  -0.130 488 HOH AAA O   
2251 O  O   . HOH F .   ? 0.113 0.251 0.340 -0.060 -0.029 -0.024 489 HOH AAA O   
2252 O  O   . HOH F .   ? 0.142 0.232 0.338 -0.014 -0.024 0.010  490 HOH AAA O   
2253 O  O   . HOH F .   ? 0.099 0.160 0.271 0.025  0.005  0.011  491 HOH AAA O   
2254 O  O   . HOH F .   ? 0.031 0.212 0.262 -0.007 -0.020 -0.012 492 HOH AAA O   
2255 O  O   . HOH F .   ? 0.049 0.242 0.289 -0.008 -0.021 0.018  493 HOH AAA O   
2256 O  O   . HOH F .   ? 0.135 0.409 0.391 0.004  -0.089 -0.046 494 HOH AAA O   
2257 O  O   . HOH F .   ? 0.374 0.368 0.393 -0.054 -0.165 -0.014 495 HOH AAA O   
2258 O  O   . HOH F .   ? 0.213 0.425 0.389 -0.126 -0.004 -0.021 496 HOH AAA O   
2259 O  O   . HOH F .   ? 0.327 0.294 0.584 0.040  -0.061 0.046  497 HOH AAA O   
2260 O  O   . HOH F .   ? 0.247 0.476 0.554 0.099  0.065  0.292  498 HOH AAA O   
2261 O  O   . HOH F .   ? 0.390 0.226 0.487 0.136  -0.174 -0.045 499 HOH AAA O   
2262 O  O   . HOH F .   ? 0.044 0.176 0.392 -0.010 -0.064 -0.009 500 HOH AAA O   
2263 O  O   . HOH F .   ? 0.092 0.260 0.282 -0.002 0.025  -0.039 501 HOH AAA O   
2264 O  O   . HOH F .   ? 0.390 0.359 0.453 -0.035 -0.144 -0.017 502 HOH AAA O   
2265 O  O   . HOH F .   ? 0.287 0.394 0.438 -0.017 -0.004 0.102  503 HOH AAA O   
2266 O  O   . HOH F .   ? 0.092 0.373 0.309 0.000  -0.034 -0.058 504 HOH AAA O   
2267 O  O   . HOH F .   ? 0.132 0.193 0.283 -0.009 0.016  -0.017 505 HOH AAA O   
2268 O  O   . HOH F .   ? 0.130 0.356 0.398 0.011  -0.024 -0.037 506 HOH AAA O   
2269 O  O   . HOH F .   ? 0.274 0.391 0.450 0.014  0.059  -0.131 507 HOH AAA O   
2270 O  O   . HOH F .   ? 0.098 0.644 0.341 0.025  -0.001 0.107  508 HOH AAA O   
2271 O  O   . HOH F .   ? 0.555 0.672 0.393 -0.050 -0.068 -0.047 509 HOH AAA O   
2272 O  O   . HOH F .   ? 0.102 0.254 0.329 0.025  -0.034 0.029  510 HOH AAA O   
2273 O  O   . HOH F .   ? 0.150 0.350 0.524 -0.026 0.107  -0.030 511 HOH AAA O   
2274 O  O   . HOH F .   ? 0.062 0.153 0.257 0.037  -0.007 0.014  512 HOH AAA O   
2275 O  O   . HOH F .   ? 0.229 0.279 0.276 -0.050 -0.046 0.029  513 HOH AAA O   
2276 O  O   . HOH F .   ? 0.244 0.454 0.414 -0.011 -0.055 0.035  514 HOH AAA O   
2277 O  O   . HOH F .   ? 0.170 0.327 0.487 0.040  0.004  -0.121 515 HOH AAA O   
2278 O  O   . HOH F .   ? 0.386 0.476 0.491 -0.084 0.139  0.073  516 HOH AAA O   
2279 O  O   . HOH F .   ? 0.013 0.229 0.298 0.039  0.002  -0.043 517 HOH AAA O   
2280 O  O   . HOH F .   ? 0.117 0.247 0.358 -0.090 -0.037 0.038  518 HOH AAA O   
2281 O  O   . HOH F .   ? 0.333 0.390 0.575 -0.186 -0.068 -0.044 519 HOH AAA O   
2282 O  O   . HOH F .   ? 0.188 0.364 0.742 -0.096 0.092  -0.049 520 HOH AAA O   
2283 O  O   . HOH F .   ? 0.214 0.286 0.489 0.026  -0.130 -0.058 521 HOH AAA O   
2284 O  O   . HOH F .   ? 0.146 0.237 0.353 0.037  -0.084 -0.028 522 HOH AAA O   
2285 O  O   . HOH F .   ? 0.082 0.461 0.404 0.039  -0.053 0.095  523 HOH AAA O   
2286 O  O   . HOH F .   ? 0.072 0.191 0.332 0.018  -0.046 -0.003 524 HOH AAA O   
2287 O  O   . HOH F .   ? 0.099 0.175 0.306 -0.035 0.034  -0.038 525 HOH AAA O   
2288 O  O   . HOH F .   ? 0.250 0.371 0.288 -0.121 0.074  -0.062 526 HOH AAA O   
2289 O  O   . HOH F .   ? 0.116 0.310 0.570 -0.015 0.019  -0.076 527 HOH AAA O   
2290 O  O   . HOH F .   ? 0.370 0.362 0.339 -0.131 0.051  0.019  528 HOH AAA O   
2291 O  O   . HOH F .   ? 0.225 0.889 0.488 -0.044 -0.043 0.021  529 HOH AAA O   
2292 O  O   . HOH F .   ? 0.451 0.326 0.642 0.073  -0.252 0.111  530 HOH AAA O   
2293 O  O   . HOH F .   ? 0.213 0.377 0.420 0.052  -0.003 0.092  531 HOH AAA O   
2294 O  O   . HOH F .   ? 0.469 0.438 0.341 0.090  0.096  -0.015 532 HOH AAA O   
2295 O  O   . HOH F .   ? 0.214 0.374 0.537 0.086  -0.039 -0.034 533 HOH AAA O   
2296 O  O   . HOH F .   ? 0.060 0.278 0.357 -0.025 -0.029 0.020  534 HOH AAA O   
2297 O  O   . HOH F .   ? 0.457 0.697 0.485 -0.055 0.003  -0.145 535 HOH AAA O   
2298 O  O   . HOH F .   ? 0.119 0.336 0.399 0.045  -0.039 0.008  536 HOH AAA O   
2299 O  O   . HOH F .   ? 0.310 0.311 0.628 -0.057 0.136  -0.074 537 HOH AAA O   
2300 O  O   . HOH F .   ? 0.259 0.465 0.255 0.079  0.008  0.037  538 HOH AAA O   
2301 O  O   . HOH F .   ? 0.321 0.206 0.458 -0.029 -0.173 0.050  539 HOH AAA O   
2302 O  O   . HOH F .   ? 0.222 0.394 0.451 -0.012 0.093  -0.075 540 HOH AAA O   
2303 O  O   . HOH F .   ? 0.232 0.535 0.387 -0.068 -0.061 0.026  541 HOH AAA O   
2304 O  O   . HOH F .   ? 0.185 0.279 0.376 0.055  0.028  -0.019 542 HOH AAA O   
2305 O  O   . HOH F .   ? 0.140 0.597 0.606 -0.095 -0.012 -0.029 543 HOH AAA O   
2306 O  O   . HOH F .   ? 0.501 0.446 0.315 -0.174 -0.108 0.005  544 HOH AAA O   
2307 O  O   . HOH F .   ? 0.621 0.203 0.386 0.018  -0.161 -0.073 545 HOH AAA O   
2308 O  O   . HOH F .   ? 0.409 0.639 0.524 -0.206 -0.011 -0.064 546 HOH AAA O   
2309 O  O   . HOH F .   ? 0.531 0.719 0.477 0.371  -0.252 -0.152 547 HOH AAA O   
2310 O  O   . HOH F .   ? 0.103 0.202 0.285 0.003  -0.034 -0.045 548 HOH AAA O   
2311 O  O   . HOH F .   ? 0.446 0.244 0.600 0.062  0.278  0.047  549 HOH AAA O   
2312 O  O   . HOH F .   ? 0.225 0.467 0.354 -0.067 -0.026 0.018  550 HOH AAA O   
2313 O  O   . HOH F .   ? 0.249 0.318 0.528 0.023  -0.099 0.017  551 HOH AAA O   
2314 O  O   . HOH F .   ? 0.284 0.188 0.395 0.022  0.055  -0.008 552 HOH AAA O   
2315 O  O   . HOH F .   ? 0.152 0.285 0.372 -0.033 -0.066 0.060  553 HOH AAA O   
2316 O  O   . HOH F .   ? 0.129 0.201 0.444 0.079  -0.037 0.001  554 HOH AAA O   
2317 O  O   . HOH F .   ? 0.172 0.182 0.338 -0.097 -0.063 -0.012 555 HOH AAA O   
2318 O  O   . HOH F .   ? 0.069 0.307 0.501 0.053  0.032  0.029  556 HOH AAA O   
2319 O  O   . HOH F .   ? 0.292 0.179 0.317 0.052  -0.109 -0.020 557 HOH AAA O   
2320 O  O   . HOH F .   ? 0.274 0.396 0.597 -0.061 0.072  0.208  558 HOH AAA O   
2321 O  O   . HOH F .   ? 0.396 0.306 0.299 0.202  -0.061 0.023  559 HOH AAA O   
2322 O  O   . HOH F .   ? 0.154 0.344 0.328 0.002  0.065  -0.009 560 HOH AAA O   
2323 O  O   . HOH F .   ? 0.163 0.267 0.293 -0.045 -0.035 0.016  561 HOH AAA O   
2324 O  O   . HOH F .   ? 0.185 0.770 0.490 -0.012 0.094  0.060  562 HOH AAA O   
2325 O  O   . HOH F .   ? 0.182 0.683 0.538 -0.031 0.002  -0.016 563 HOH AAA O   
2326 O  O   . HOH F .   ? 0.035 0.243 0.237 0.000  -0.046 0.026  564 HOH AAA O   
2327 O  O   . HOH F .   ? 0.171 0.275 0.324 0.033  -0.067 0.065  565 HOH AAA O   
2328 O  O   . HOH F .   ? 0.248 0.654 0.366 -0.108 0.070  -0.064 566 HOH AAA O   
2329 O  O   . HOH F .   ? 0.373 0.216 0.350 0.100  0.021  0.064  567 HOH AAA O   
2330 O  O   . HOH F .   ? 0.415 0.503 0.369 0.033  -0.056 -0.012 568 HOH AAA O   
2331 O  O   . HOH F .   ? 0.319 0.312 0.638 -0.062 -0.137 -0.019 569 HOH AAA O   
2332 O  O   . HOH F .   ? 0.126 0.519 0.497 -0.011 -0.004 -0.222 570 HOH AAA O   
2333 O  O   . HOH F .   ? 0.450 0.386 0.448 0.072  -0.075 0.027  571 HOH AAA O   
2334 O  O   . HOH F .   ? 0.250 0.529 0.556 -0.017 0.121  -0.100 572 HOH AAA O   
2335 O  O   . HOH F .   ? 0.220 0.258 0.284 0.062  -0.030 0.019  573 HOH AAA O   
2336 O  O   . HOH F .   ? 0.188 0.230 0.375 0.032  0.046  0.093  574 HOH AAA O   
2337 O  O   . HOH F .   ? 0.198 0.316 0.274 0.026  -0.004 -0.027 575 HOH AAA O   
2338 O  O   . HOH F .   ? 0.033 0.317 0.408 0.007  -0.028 0.070  576 HOH AAA O   
2339 O  O   . HOH F .   ? 0.373 0.156 0.341 0.082  0.096  -0.006 577 HOH AAA O   
2340 O  O   . HOH F .   ? 0.468 0.200 0.526 -0.020 0.120  -0.049 578 HOH AAA O   
2341 O  O   . HOH F .   ? 0.381 0.423 0.386 0.080  0.092  0.072  579 HOH AAA O   
2342 O  O   . HOH F .   ? 0.359 0.727 0.306 0.318  -0.130 -0.008 580 HOH AAA O   
2343 O  O   . HOH F .   ? 0.476 0.701 0.601 0.209  -0.313 -0.320 581 HOH AAA O   
2344 O  O   . HOH F .   ? 0.154 0.628 0.392 0.051  0.027  0.015  582 HOH AAA O   
2345 O  O   . HOH F .   ? 0.511 0.875 0.531 0.375  0.223  0.034  583 HOH AAA O   
2346 O  O   . HOH F .   ? 0.616 0.739 0.394 -0.299 -0.082 -0.014 584 HOH AAA O   
2347 O  O   . HOH F .   ? 0.059 0.131 0.229 0.024  -0.008 0.009  585 HOH AAA O   
2348 O  O   . HOH F .   ? 0.215 0.418 0.428 0.009  0.065  -0.000 586 HOH AAA O   
2349 O  O   . HOH F .   ? 0.254 0.660 0.388 0.176  0.105  0.307  587 HOH AAA O   
2350 O  O   . HOH F .   ? 0.668 0.568 0.331 0.147  0.184  0.157  588 HOH AAA O   
2351 O  O   . HOH F .   ? 0.585 0.335 0.482 0.106  0.067  0.059  589 HOH AAA O   
2352 O  O   . HOH F .   ? 0.110 0.177 0.883 0.021  0.058  -0.063 590 HOH AAA O   
2353 O  O   . HOH F .   ? 0.647 0.304 0.318 0.076  0.057  0.099  591 HOH AAA O   
2354 O  O   . HOH F .   ? 0.015 0.230 0.344 -0.031 0.023  -0.016 592 HOH AAA O   
2355 O  O   . HOH F .   ? 0.200 0.293 0.401 0.110  0.086  0.118  593 HOH AAA O   
2356 O  O   . HOH F .   ? 0.182 0.266 0.371 0.012  -0.012 -0.022 594 HOH AAA O   
2357 O  O   . HOH F .   ? 0.221 0.248 0.474 0.018  -0.104 0.012  595 HOH AAA O   
2358 O  O   . HOH F .   ? 0.242 0.487 0.326 0.040  -0.035 0.111  596 HOH AAA O   
2359 O  O   . HOH F .   ? 0.179 0.393 0.398 -0.062 -0.008 0.049  597 HOH AAA O   
2360 O  O   . HOH F .   ? 0.379 0.513 0.457 -0.109 -0.181 0.048  598 HOH AAA O   
2361 O  O   . HOH F .   ? 0.161 0.514 0.411 0.124  0.032  0.045  599 HOH AAA O   
2362 O  O   . HOH F .   ? 0.197 0.513 0.456 -0.059 -0.024 -0.039 600 HOH AAA O   
2363 O  O   . HOH F .   ? 0.468 0.317 0.474 -0.167 0.219  -0.057 601 HOH AAA O   
2364 O  O   . HOH F .   ? 0.427 0.444 0.729 0.104  0.235  -0.086 602 HOH AAA O   
2365 O  O   . HOH F .   ? 0.225 0.262 0.600 0.042  -0.014 0.062  603 HOH AAA O   
2366 O  O   . HOH F .   ? 0.430 0.807 0.456 0.041  -0.119 0.226  604 HOH AAA O   
2367 O  O   . HOH F .   ? 0.131 0.154 0.320 -0.007 -0.040 -0.009 605 HOH AAA O   
2368 O  O   . HOH F .   ? 0.167 0.396 0.459 -0.026 -0.060 0.099  606 HOH AAA O   
2369 O  O   . HOH F .   ? 0.301 0.825 0.414 0.146  0.056  -0.054 607 HOH AAA O   
2370 O  O   . HOH F .   ? 0.146 0.567 0.474 -0.078 -0.002 -0.157 608 HOH AAA O   
2371 O  O   . HOH F .   ? 0.770 0.850 0.399 0.375  -0.107 -0.187 609 HOH AAA O   
2372 O  O   . HOH F .   ? 0.285 0.397 1.168 0.021  0.221  0.174  610 HOH AAA O   
2373 O  O   . HOH F .   ? 0.560 0.466 0.848 0.109  -0.481 -0.334 611 HOH AAA O   
2374 O  O   . HOH F .   ? 0.922 0.270 0.501 0.024  0.015  0.088  612 HOH AAA O   
2375 O  O   . HOH F .   ? 0.309 0.898 0.399 0.095  -0.094 -0.052 613 HOH AAA O   
2376 O  O   . HOH F .   ? 0.347 0.923 0.491 -0.031 -0.034 0.239  614 HOH AAA O   
2377 O  O   . HOH F .   ? 0.166 0.363 0.409 -0.103 -0.057 0.081  615 HOH AAA O   
2378 O  O   . HOH F .   ? 0.425 0.396 0.422 -0.018 0.059  -0.111 616 HOH AAA O   
2379 O  O   . HOH F .   ? 0.206 0.687 0.395 -0.032 0.033  0.043  617 HOH AAA O   
2380 O  O   . HOH F .   ? 0.724 0.765 0.334 -0.260 0.179  -0.006 618 HOH AAA O   
2381 O  O   . HOH F .   ? 0.532 0.492 0.627 0.014  0.323  -0.090 619 HOH AAA O   
2382 O  O   . HOH F .   ? 0.656 0.473 0.415 0.081  -0.005 0.056  620 HOH AAA O   
2383 O  O   . HOH F .   ? 0.240 0.221 0.407 -0.057 -0.050 0.000  621 HOH AAA O   
2384 O  O   . HOH F .   ? 0.217 0.301 0.351 -0.016 -0.024 0.075  622 HOH AAA O   
2385 O  O   . HOH F .   ? 0.354 0.349 0.576 0.087  -0.014 0.046  623 HOH AAA O   
2386 O  O   . HOH F .   ? 0.371 0.395 0.570 -0.116 0.121  -0.214 624 HOH AAA O   
2387 O  O   . HOH F .   ? 0.295 0.527 0.808 -0.150 -0.114 0.277  625 HOH AAA O   
2388 O  O   . HOH F .   ? 0.161 0.383 0.515 -0.018 0.031  0.089  626 HOH AAA O   
2389 O  O   . HOH F .   ? 0.194 0.286 0.405 0.110  0.012  0.083  627 HOH AAA O   
2390 O  O   . HOH F .   ? 0.430 0.382 0.429 -0.104 0.021  -0.042 628 HOH AAA O   
2391 O  O   . HOH F .   ? 0.287 0.352 0.533 0.187  -0.036 0.063  629 HOH AAA O   
2392 O  O   . HOH F .   ? 0.480 0.345 0.491 -0.089 -0.234 0.062  630 HOH AAA O   
2393 O  O   . HOH F .   ? 0.241 0.220 0.460 0.031  -0.142 0.020  631 HOH AAA O   
2394 O  O   . HOH F .   ? 0.726 0.189 0.619 0.028  0.275  0.011  632 HOH AAA O   
2395 O  O   . HOH F .   ? 0.319 0.331 0.450 -0.055 0.002  0.118  633 HOH AAA O   
2396 O  O   . HOH F .   ? 0.229 0.597 0.553 -0.003 -0.035 0.047  634 HOH AAA O   
2397 O  O   . HOH F .   ? 0.171 0.252 0.312 0.059  -0.057 -0.001 635 HOH AAA O   
2398 O  O   . HOH F .   ? 0.305 0.924 0.406 -0.144 -0.054 0.229  636 HOH AAA O   
2399 O  O   . HOH F .   ? 0.173 0.531 0.672 -0.204 -0.117 0.087  637 HOH AAA O   
2400 O  O   . HOH F .   ? 0.388 0.271 0.374 0.021  0.154  -0.024 638 HOH AAA O   
2401 O  O   . HOH F .   ? 0.166 0.416 0.335 -0.039 -0.026 -0.018 639 HOH AAA O   
2402 O  O   . HOH F .   ? 0.503 0.600 0.646 0.165  -0.301 0.046  640 HOH AAA O   
2403 O  O   . HOH F .   ? 0.261 0.243 0.498 -0.018 0.186  -0.021 641 HOH AAA O   
2404 O  O   . HOH F .   ? 0.202 0.416 0.446 -0.133 -0.006 0.077  642 HOH AAA O   
2405 O  O   . HOH F .   ? 0.215 0.274 0.417 -0.007 0.055  -0.025 643 HOH AAA O   
2406 O  O   . HOH F .   ? 0.173 0.695 0.405 -0.061 0.069  -0.008 644 HOH AAA O   
2407 O  O   . HOH F .   ? 0.244 0.584 0.620 -0.070 -0.079 0.143  645 HOH AAA O   
2408 O  O   . HOH F .   ? 0.141 0.305 0.373 -0.130 0.023  -0.044 646 HOH AAA O   
2409 O  O   . HOH F .   ? 0.267 0.350 0.429 0.175  -0.160 -0.143 647 HOH AAA O   
2410 O  O   . HOH F .   ? 0.081 0.467 0.474 -0.044 -0.030 0.030  648 HOH AAA O   
2411 O  O   . HOH F .   ? 0.348 0.269 0.511 -0.044 0.030  -0.060 649 HOH AAA O   
2412 O  O   . HOH F .   ? 0.376 0.863 0.954 0.048  -0.216 -0.197 650 HOH AAA O   
2413 O  O   . HOH F .   ? 0.173 0.664 0.652 -0.250 0.134  -0.202 651 HOH AAA O   
2414 O  O   . HOH F .   ? 0.373 0.387 0.651 -0.140 -0.233 -0.050 652 HOH AAA O   
2415 O  O   . HOH F .   ? 0.145 0.404 0.479 -0.079 0.101  -0.020 653 HOH AAA O   
2416 O  O   . HOH F .   ? 0.210 0.356 0.700 0.035  -0.071 0.056  654 HOH AAA O   
2417 O  O   . HOH F .   ? 0.213 0.531 0.470 0.145  -0.094 -0.018 655 HOH AAA O   
2418 O  O   . HOH F .   ? 0.181 0.565 0.511 -0.063 -0.009 0.109  656 HOH AAA O   
2419 O  O   . HOH F .   ? 0.049 0.291 0.486 -0.028 -0.003 -0.024 657 HOH AAA O   
# 
