data_7HAP
# 
_entry.id   7HAP 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   7HAP         pdb_00007hap 10.2210/pdb7hap/pdb 
WWPDB D_1001407236 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-03-26 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.entry_id                        7HAP 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-07-10 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.name_last          Yu 
_pdbx_contact_author.name_first         Feng 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.email              yufeng@sari.ac.cn 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-9502-3277 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Huang, L.' 1  ? 
'Wang, W.'  2  ? 
'Zhu, Z.'   3  ? 
'Li, Q.'    4  ? 
'Li, M.'    5  ? 
'Zhou, H.'  6  ? 
'Xu, Q.'    7  ? 
'Wen, W.'   8  ? 
'Wang, Q.'  9  ? 
'Yu, F.'    10 ? 
# 
_citation.id                        primary 
_citation.title                     
;Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
;
_citation.journal_abbrev            Iucrj 
_citation.journal_volume            12 
_citation.page_first                177 
_citation.page_last                 187 
_citation.year                      2025 
_citation.journal_id_ASTM           ? 
_citation.country                   UK 
_citation.journal_id_ISSN           2052-2525 
_citation.journal_id_CSD            ? 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   39819741 
_citation.pdbx_database_id_DOI      10.1107/S2052252524012247 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Huang, L.' 0009-0001-8431-0182 1  
primary 'Wang, W.'  ?                   2  
primary 'Zhu, Z.'   ?                   3  
primary 'Li, Q.'    ?                   4  
primary 'Li, M.'    ?                   5  
primary 'Zhou, H.'  ?                   6  
primary 'Xu, Q.'    0000-0002-7137-0768 7  
primary 'Wen, W.'   ?                   8  
primary 'Wang, Q.'  ?                   9  
primary 'Yu, F.'    0000-0002-9502-3277 10 
# 
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 'Heat shock protein HSP 90-alpha'                       26859.117 1  3.6.4.10 ? ? ? 
2 non-polymer syn '[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol' 206.216   1  ?        ? ? ? 
3 water       nat water                                                   18.015    67 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;Heat shock 86 kDa,HSP 86,HSP86,Heat shock protein family C member 1,Lipopolysaccharide-associated protein 2,LAP-2,LPS-associated protein 2,Renal carcinoma antigen NY-REN-38
;
# 
_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       
;MDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDR
TLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAG
GSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAELEHHHHHH
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDR
TLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAG
GSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAELEHHHHHH
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol' FMQ 
3 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   ASP n 
1 3   GLN n 
1 4   PRO n 
1 5   MET n 
1 6   GLU n 
1 7   GLU n 
1 8   GLU n 
1 9   GLU n 
1 10  VAL n 
1 11  GLU n 
1 12  THR n 
1 13  PHE n 
1 14  ALA n 
1 15  PHE n 
1 16  GLN n 
1 17  ALA n 
1 18  GLU n 
1 19  ILE n 
1 20  ALA n 
1 21  GLN n 
1 22  LEU n 
1 23  MET n 
1 24  SER n 
1 25  LEU n 
1 26  ILE n 
1 27  ILE n 
1 28  ASN n 
1 29  THR n 
1 30  PHE n 
1 31  TYR n 
1 32  SER n 
1 33  ASN n 
1 34  LYS n 
1 35  GLU n 
1 36  ILE n 
1 37  PHE n 
1 38  LEU n 
1 39  ARG n 
1 40  GLU n 
1 41  LEU n 
1 42  ILE n 
1 43  SER n 
1 44  ASN n 
1 45  SER n 
1 46  SER n 
1 47  ASP n 
1 48  ALA n 
1 49  LEU n 
1 50  ASP n 
1 51  LYS n 
1 52  ILE n 
1 53  ARG n 
1 54  TYR n 
1 55  GLU n 
1 56  SER n 
1 57  LEU n 
1 58  THR n 
1 59  ASP n 
1 60  PRO n 
1 61  SER n 
1 62  LYS n 
1 63  LEU n 
1 64  ASP n 
1 65  SER n 
1 66  GLY n 
1 67  LYS n 
1 68  GLU n 
1 69  LEU n 
1 70  HIS n 
1 71  ILE n 
1 72  ASN n 
1 73  LEU n 
1 74  ILE n 
1 75  PRO n 
1 76  ASN n 
1 77  LYS n 
1 78  GLN n 
1 79  ASP n 
1 80  ARG n 
1 81  THR n 
1 82  LEU n 
1 83  THR n 
1 84  ILE n 
1 85  VAL n 
1 86  ASP n 
1 87  THR n 
1 88  GLY n 
1 89  ILE n 
1 90  GLY n 
1 91  MET n 
1 92  THR n 
1 93  LYS n 
1 94  ALA n 
1 95  ASP n 
1 96  LEU n 
1 97  ILE n 
1 98  ASN n 
1 99  ASN n 
1 100 LEU n 
1 101 GLY n 
1 102 THR n 
1 103 ILE n 
1 104 ALA n 
1 105 LYS n 
1 106 SER n 
1 107 GLY n 
1 108 THR n 
1 109 LYS n 
1 110 ALA n 
1 111 PHE n 
1 112 MET n 
1 113 GLU n 
1 114 ALA n 
1 115 LEU n 
1 116 GLN n 
1 117 ALA n 
1 118 GLY n 
1 119 ALA n 
1 120 ASP n 
1 121 ILE n 
1 122 SER n 
1 123 MET n 
1 124 ILE n 
1 125 GLY n 
1 126 GLN n 
1 127 PHE n 
1 128 GLY n 
1 129 VAL n 
1 130 GLY n 
1 131 PHE n 
1 132 TYR n 
1 133 SER n 
1 134 ALA n 
1 135 TYR n 
1 136 LEU n 
1 137 VAL n 
1 138 ALA n 
1 139 GLU n 
1 140 LYS n 
1 141 VAL n 
1 142 THR n 
1 143 VAL n 
1 144 ILE n 
1 145 THR n 
1 146 LYS n 
1 147 HIS n 
1 148 ASN n 
1 149 ASP n 
1 150 ASP n 
1 151 GLU n 
1 152 GLN n 
1 153 TYR n 
1 154 ALA n 
1 155 TRP n 
1 156 GLU n 
1 157 SER n 
1 158 SER n 
1 159 ALA n 
1 160 GLY n 
1 161 GLY n 
1 162 SER n 
1 163 PHE n 
1 164 THR n 
1 165 VAL n 
1 166 ARG n 
1 167 THR n 
1 168 ASP n 
1 169 THR n 
1 170 GLY n 
1 171 GLU n 
1 172 PRO n 
1 173 MET n 
1 174 GLY n 
1 175 ARG n 
1 176 GLY n 
1 177 THR n 
1 178 LYS n 
1 179 VAL n 
1 180 ILE n 
1 181 LEU n 
1 182 HIS n 
1 183 LEU n 
1 184 LYS n 
1 185 GLU n 
1 186 ASP n 
1 187 GLN n 
1 188 THR n 
1 189 GLU n 
1 190 TYR n 
1 191 LEU n 
1 192 GLU n 
1 193 GLU n 
1 194 ARG n 
1 195 ARG n 
1 196 ILE n 
1 197 LYS n 
1 198 GLU n 
1 199 ILE n 
1 200 VAL n 
1 201 LYS n 
1 202 LYS n 
1 203 HIS n 
1 204 SER n 
1 205 GLN n 
1 206 PHE n 
1 207 ILE n 
1 208 GLY n 
1 209 TYR n 
1 210 PRO n 
1 211 ILE n 
1 212 THR n 
1 213 LEU n 
1 214 PHE n 
1 215 VAL n 
1 216 GLU n 
1 217 LYS n 
1 218 GLU n 
1 219 ARG n 
1 220 ASP n 
1 221 LYS n 
1 222 GLU n 
1 223 VAL n 
1 224 SER n 
1 225 ASP n 
1 226 ASP n 
1 227 GLU n 
1 228 ALA n 
1 229 GLU n 
1 230 LEU n 
1 231 GLU n 
1 232 HIS n 
1 233 HIS n 
1 234 HIS n 
1 235 HIS n 
1 236 HIS n 
1 237 HIS n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   237 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'HSP90AA1, HSP90A, HSPC1, HSPCA' 
_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 BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          plasmid 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       pET28 
_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 
FMQ non-polymer         . '[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol' ? 'C11 H11 F N2 O' 206.216 
GLN 'L-peptide linking' y GLUTAMINE                                               ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                         ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                                                 ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                                               ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                                                   ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                              ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                                                 ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                                                  ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                                              ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                                           ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                                                 ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                                                  ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE                                               ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                              ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                                                ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                                                  ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   8   ?   ?   ?   A . n 
A 1 2   ASP 2   9   ?   ?   ?   A . n 
A 1 3   GLN 3   10  ?   ?   ?   A . n 
A 1 4   PRO 4   11  ?   ?   ?   A . n 
A 1 5   MET 5   12  ?   ?   ?   A . n 
A 1 6   GLU 6   13  ?   ?   ?   A . n 
A 1 7   GLU 7   14  ?   ?   ?   A . n 
A 1 8   GLU 8   15  ?   ?   ?   A . n 
A 1 9   GLU 9   16  16  GLU GLU A . n 
A 1 10  VAL 10  17  17  VAL VAL A . n 
A 1 11  GLU 11  18  18  GLU GLU A . n 
A 1 12  THR 12  19  19  THR THR A . n 
A 1 13  PHE 13  20  20  PHE PHE A . n 
A 1 14  ALA 14  21  21  ALA ALA A . n 
A 1 15  PHE 15  22  22  PHE PHE A . n 
A 1 16  GLN 16  23  23  GLN GLN A . n 
A 1 17  ALA 17  24  24  ALA ALA A . n 
A 1 18  GLU 18  25  25  GLU GLU A . n 
A 1 19  ILE 19  26  26  ILE ILE A . n 
A 1 20  ALA 20  27  27  ALA ALA A . n 
A 1 21  GLN 21  28  28  GLN GLN A . n 
A 1 22  LEU 22  29  29  LEU LEU A . n 
A 1 23  MET 23  30  30  MET MET A . n 
A 1 24  SER 24  31  31  SER SER A . n 
A 1 25  LEU 25  32  32  LEU LEU A . n 
A 1 26  ILE 26  33  33  ILE ILE A . n 
A 1 27  ILE 27  34  34  ILE ILE A . n 
A 1 28  ASN 28  35  35  ASN ASN A . n 
A 1 29  THR 29  36  36  THR THR A . n 
A 1 30  PHE 30  37  37  PHE PHE A . n 
A 1 31  TYR 31  38  38  TYR TYR A . n 
A 1 32  SER 32  39  39  SER SER A . n 
A 1 33  ASN 33  40  40  ASN ASN A . n 
A 1 34  LYS 34  41  41  LYS LYS A . n 
A 1 35  GLU 35  42  42  GLU GLU A . n 
A 1 36  ILE 36  43  43  ILE ILE A . n 
A 1 37  PHE 37  44  44  PHE PHE A . n 
A 1 38  LEU 38  45  45  LEU LEU A . n 
A 1 39  ARG 39  46  46  ARG ARG A . n 
A 1 40  GLU 40  47  47  GLU GLU A . n 
A 1 41  LEU 41  48  48  LEU LEU A . n 
A 1 42  ILE 42  49  49  ILE ILE A . n 
A 1 43  SER 43  50  50  SER SER A . n 
A 1 44  ASN 44  51  51  ASN ASN A . n 
A 1 45  SER 45  52  52  SER SER A . n 
A 1 46  SER 46  53  53  SER SER A . n 
A 1 47  ASP 47  54  54  ASP ASP A . n 
A 1 48  ALA 48  55  55  ALA ALA A . n 
A 1 49  LEU 49  56  56  LEU LEU A . n 
A 1 50  ASP 50  57  57  ASP ASP A . n 
A 1 51  LYS 51  58  58  LYS LYS A . n 
A 1 52  ILE 52  59  59  ILE ILE A . n 
A 1 53  ARG 53  60  60  ARG ARG A . n 
A 1 54  TYR 54  61  61  TYR TYR A . n 
A 1 55  GLU 55  62  62  GLU GLU A . n 
A 1 56  SER 56  63  63  SER SER A . n 
A 1 57  LEU 57  64  64  LEU LEU A . n 
A 1 58  THR 58  65  65  THR THR A . n 
A 1 59  ASP 59  66  66  ASP ASP A . n 
A 1 60  PRO 60  67  67  PRO PRO A . n 
A 1 61  SER 61  68  68  SER SER A . n 
A 1 62  LYS 62  69  69  LYS LYS A . n 
A 1 63  LEU 63  70  70  LEU LEU A . n 
A 1 64  ASP 64  71  71  ASP ASP A . n 
A 1 65  SER 65  72  72  SER SER A . n 
A 1 66  GLY 66  73  73  GLY GLY A . n 
A 1 67  LYS 67  74  74  LYS LYS A . n 
A 1 68  GLU 68  75  75  GLU GLU A . n 
A 1 69  LEU 69  76  76  LEU LEU A . n 
A 1 70  HIS 70  77  77  HIS HIS A . n 
A 1 71  ILE 71  78  78  ILE ILE A . n 
A 1 72  ASN 72  79  79  ASN ASN A . n 
A 1 73  LEU 73  80  80  LEU LEU A . n 
A 1 74  ILE 74  81  81  ILE ILE A . n 
A 1 75  PRO 75  82  82  PRO PRO A . n 
A 1 76  ASN 76  83  83  ASN ASN A . n 
A 1 77  LYS 77  84  84  LYS LYS A . n 
A 1 78  GLN 78  85  85  GLN GLN A . n 
A 1 79  ASP 79  86  86  ASP ASP A . n 
A 1 80  ARG 80  87  87  ARG ARG A . n 
A 1 81  THR 81  88  88  THR THR A . n 
A 1 82  LEU 82  89  89  LEU LEU A . n 
A 1 83  THR 83  90  90  THR THR A . n 
A 1 84  ILE 84  91  91  ILE ILE A . n 
A 1 85  VAL 85  92  92  VAL VAL A . n 
A 1 86  ASP 86  93  93  ASP ASP A . n 
A 1 87  THR 87  94  94  THR THR A . n 
A 1 88  GLY 88  95  95  GLY GLY A . n 
A 1 89  ILE 89  96  96  ILE ILE A . n 
A 1 90  GLY 90  97  97  GLY GLY A . n 
A 1 91  MET 91  98  98  MET MET A . n 
A 1 92  THR 92  99  99  THR THR A . n 
A 1 93  LYS 93  100 100 LYS LYS A . n 
A 1 94  ALA 94  101 101 ALA ALA A . n 
A 1 95  ASP 95  102 102 ASP ASP A . n 
A 1 96  LEU 96  103 103 LEU LEU A . n 
A 1 97  ILE 97  104 104 ILE ILE A . n 
A 1 98  ASN 98  105 105 ASN ASN A . n 
A 1 99  ASN 99  106 106 ASN ASN A . n 
A 1 100 LEU 100 107 107 LEU LEU A . n 
A 1 101 GLY 101 108 108 GLY GLY A . n 
A 1 102 THR 102 109 109 THR THR A . n 
A 1 103 ILE 103 110 110 ILE ILE A . n 
A 1 104 ALA 104 111 111 ALA ALA A . n 
A 1 105 LYS 105 112 112 LYS LYS A . n 
A 1 106 SER 106 113 113 SER SER A . n 
A 1 107 GLY 107 114 114 GLY GLY A . n 
A 1 108 THR 108 115 115 THR THR A . n 
A 1 109 LYS 109 116 116 LYS LYS A . n 
A 1 110 ALA 110 117 117 ALA ALA A . n 
A 1 111 PHE 111 118 118 PHE PHE A . n 
A 1 112 MET 112 119 119 MET MET A . n 
A 1 113 GLU 113 120 120 GLU GLU A . n 
A 1 114 ALA 114 121 121 ALA ALA A . n 
A 1 115 LEU 115 122 122 LEU LEU A . n 
A 1 116 GLN 116 123 123 GLN GLN A . n 
A 1 117 ALA 117 124 124 ALA ALA A . n 
A 1 118 GLY 118 125 125 GLY GLY A . n 
A 1 119 ALA 119 126 126 ALA ALA A . n 
A 1 120 ASP 120 127 127 ASP ASP A . n 
A 1 121 ILE 121 128 128 ILE ILE A . n 
A 1 122 SER 122 129 129 SER SER A . n 
A 1 123 MET 123 130 130 MET MET A . n 
A 1 124 ILE 124 131 131 ILE ILE A . n 
A 1 125 GLY 125 132 132 GLY GLY A . n 
A 1 126 GLN 126 133 133 GLN GLN A . n 
A 1 127 PHE 127 134 134 PHE PHE A . n 
A 1 128 GLY 128 135 135 GLY GLY A . n 
A 1 129 VAL 129 136 136 VAL VAL A . n 
A 1 130 GLY 130 137 137 GLY GLY A . n 
A 1 131 PHE 131 138 138 PHE PHE A . n 
A 1 132 TYR 132 139 139 TYR TYR A . n 
A 1 133 SER 133 140 140 SER SER A . n 
A 1 134 ALA 134 141 141 ALA ALA A . n 
A 1 135 TYR 135 142 142 TYR TYR A . n 
A 1 136 LEU 136 143 143 LEU LEU A . n 
A 1 137 VAL 137 144 144 VAL VAL A . n 
A 1 138 ALA 138 145 145 ALA ALA A . n 
A 1 139 GLU 139 146 146 GLU GLU A . n 
A 1 140 LYS 140 147 147 LYS LYS A . n 
A 1 141 VAL 141 148 148 VAL VAL A . n 
A 1 142 THR 142 149 149 THR THR A . n 
A 1 143 VAL 143 150 150 VAL VAL A . n 
A 1 144 ILE 144 151 151 ILE ILE A . n 
A 1 145 THR 145 152 152 THR THR A . n 
A 1 146 LYS 146 153 153 LYS LYS A . n 
A 1 147 HIS 147 154 154 HIS HIS A . n 
A 1 148 ASN 148 155 155 ASN ASN A . n 
A 1 149 ASP 149 156 156 ASP ASP A . n 
A 1 150 ASP 150 157 157 ASP ASP A . n 
A 1 151 GLU 151 158 158 GLU GLU A . n 
A 1 152 GLN 152 159 159 GLN GLN A . n 
A 1 153 TYR 153 160 160 TYR TYR A . n 
A 1 154 ALA 154 161 161 ALA ALA A . n 
A 1 155 TRP 155 162 162 TRP TRP A . n 
A 1 156 GLU 156 163 163 GLU GLU A . n 
A 1 157 SER 157 164 164 SER SER A . n 
A 1 158 SER 158 165 165 SER SER A . n 
A 1 159 ALA 159 166 166 ALA ALA A . n 
A 1 160 GLY 160 167 167 GLY GLY A . n 
A 1 161 GLY 161 168 168 GLY GLY A . n 
A 1 162 SER 162 169 169 SER SER A . n 
A 1 163 PHE 163 170 170 PHE PHE A . n 
A 1 164 THR 164 171 171 THR THR A . n 
A 1 165 VAL 165 172 172 VAL VAL A . n 
A 1 166 ARG 166 173 173 ARG ARG A . n 
A 1 167 THR 167 174 174 THR THR A . n 
A 1 168 ASP 168 175 175 ASP ASP A . n 
A 1 169 THR 169 176 176 THR THR A . n 
A 1 170 GLY 170 177 177 GLY GLY A . n 
A 1 171 GLU 171 178 178 GLU GLU A . n 
A 1 172 PRO 172 179 179 PRO PRO A . n 
A 1 173 MET 173 180 180 MET MET A . n 
A 1 174 GLY 174 181 181 GLY GLY A . n 
A 1 175 ARG 175 182 182 ARG ARG A . n 
A 1 176 GLY 176 183 183 GLY GLY A . n 
A 1 177 THR 177 184 184 THR THR A . n 
A 1 178 LYS 178 185 185 LYS LYS A . n 
A 1 179 VAL 179 186 186 VAL VAL A . n 
A 1 180 ILE 180 187 187 ILE ILE A . n 
A 1 181 LEU 181 188 188 LEU LEU A . n 
A 1 182 HIS 182 189 189 HIS HIS A . n 
A 1 183 LEU 183 190 190 LEU LEU A . n 
A 1 184 LYS 184 191 191 LYS LYS A . n 
A 1 185 GLU 185 192 192 GLU GLU A . n 
A 1 186 ASP 186 193 193 ASP ASP A . n 
A 1 187 GLN 187 194 194 GLN GLN A . n 
A 1 188 THR 188 195 195 THR THR A . n 
A 1 189 GLU 189 196 196 GLU GLU A . n 
A 1 190 TYR 190 197 197 TYR TYR A . n 
A 1 191 LEU 191 198 198 LEU LEU A . n 
A 1 192 GLU 192 199 199 GLU GLU A . n 
A 1 193 GLU 193 200 200 GLU GLU A . n 
A 1 194 ARG 194 201 201 ARG ARG A . n 
A 1 195 ARG 195 202 202 ARG ARG A . n 
A 1 196 ILE 196 203 203 ILE ILE A . n 
A 1 197 LYS 197 204 204 LYS LYS A . n 
A 1 198 GLU 198 205 205 GLU GLU A . n 
A 1 199 ILE 199 206 206 ILE ILE A . n 
A 1 200 VAL 200 207 207 VAL VAL A . n 
A 1 201 LYS 201 208 208 LYS LYS A . n 
A 1 202 LYS 202 209 209 LYS LYS A . n 
A 1 203 HIS 203 210 210 HIS HIS A . n 
A 1 204 SER 204 211 211 SER SER A . n 
A 1 205 GLN 205 212 212 GLN GLN A . n 
A 1 206 PHE 206 213 213 PHE PHE A . n 
A 1 207 ILE 207 214 214 ILE ILE A . n 
A 1 208 GLY 208 215 215 GLY GLY A . n 
A 1 209 TYR 209 216 216 TYR TYR A . n 
A 1 210 PRO 210 217 217 PRO PRO A . n 
A 1 211 ILE 211 218 218 ILE ILE A . n 
A 1 212 THR 212 219 219 THR THR A . n 
A 1 213 LEU 213 220 220 LEU LEU A . n 
A 1 214 PHE 214 221 221 PHE PHE A . n 
A 1 215 VAL 215 222 222 VAL VAL A . n 
A 1 216 GLU 216 223 223 GLU GLU A . n 
A 1 217 LYS 217 224 224 LYS LYS A . n 
A 1 218 GLU 218 225 ?   ?   ?   A . n 
A 1 219 ARG 219 226 ?   ?   ?   A . n 
A 1 220 ASP 220 227 ?   ?   ?   A . n 
A 1 221 LYS 221 228 ?   ?   ?   A . n 
A 1 222 GLU 222 229 ?   ?   ?   A . n 
A 1 223 VAL 223 230 ?   ?   ?   A . n 
A 1 224 SER 224 231 ?   ?   ?   A . n 
A 1 225 ASP 225 232 ?   ?   ?   A . n 
A 1 226 ASP 226 233 ?   ?   ?   A . n 
A 1 227 GLU 227 234 ?   ?   ?   A . n 
A 1 228 ALA 228 235 ?   ?   ?   A . n 
A 1 229 GLU 229 236 ?   ?   ?   A . n 
A 1 230 LEU 230 237 ?   ?   ?   A . n 
A 1 231 GLU 231 238 ?   ?   ?   A . n 
A 1 232 HIS 232 239 ?   ?   ?   A . n 
A 1 233 HIS 233 240 ?   ?   ?   A . n 
A 1 234 HIS 234 241 ?   ?   ?   A . n 
A 1 235 HIS 235 242 ?   ?   ?   A . n 
A 1 236 HIS 236 243 ?   ?   ?   A . n 
A 1 237 HIS 237 244 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        FMQ 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   FMQ 
_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 FMQ 1  301 301 FMQ EHI A . 
C 3 HOH 1  401 63  HOH HOH A . 
C 3 HOH 2  402 37  HOH HOH A . 
C 3 HOH 3  403 48  HOH HOH A . 
C 3 HOH 4  404 26  HOH HOH A . 
C 3 HOH 5  405 4   HOH HOH A . 
C 3 HOH 6  406 46  HOH HOH A . 
C 3 HOH 7  407 60  HOH HOH A . 
C 3 HOH 8  408 19  HOH HOH A . 
C 3 HOH 9  409 25  HOH HOH A . 
C 3 HOH 10 410 66  HOH HOH A . 
C 3 HOH 11 411 5   HOH HOH A . 
C 3 HOH 12 412 2   HOH HOH A . 
C 3 HOH 13 413 29  HOH HOH A . 
C 3 HOH 14 414 49  HOH HOH A . 
C 3 HOH 15 415 56  HOH HOH A . 
C 3 HOH 16 416 9   HOH HOH A . 
C 3 HOH 17 417 1   HOH HOH A . 
C 3 HOH 18 418 31  HOH HOH A . 
C 3 HOH 19 419 6   HOH HOH A . 
C 3 HOH 20 420 16  HOH HOH A . 
C 3 HOH 21 421 3   HOH HOH A . 
C 3 HOH 22 422 12  HOH HOH A . 
C 3 HOH 23 423 27  HOH HOH A . 
C 3 HOH 24 424 53  HOH HOH A . 
C 3 HOH 25 425 15  HOH HOH A . 
C 3 HOH 26 426 57  HOH HOH A . 
C 3 HOH 27 427 17  HOH HOH A . 
C 3 HOH 28 428 47  HOH HOH A . 
C 3 HOH 29 429 18  HOH HOH A . 
C 3 HOH 30 430 24  HOH HOH A . 
C 3 HOH 31 431 13  HOH HOH A . 
C 3 HOH 32 432 45  HOH HOH A . 
C 3 HOH 33 433 7   HOH HOH A . 
C 3 HOH 34 434 36  HOH HOH A . 
C 3 HOH 35 435 67  HOH HOH A . 
C 3 HOH 36 436 23  HOH HOH A . 
C 3 HOH 37 437 8   HOH HOH A . 
C 3 HOH 38 438 11  HOH HOH A . 
C 3 HOH 39 439 40  HOH HOH A . 
C 3 HOH 40 440 33  HOH HOH A . 
C 3 HOH 41 441 22  HOH HOH A . 
C 3 HOH 42 442 41  HOH HOH A . 
C 3 HOH 43 443 35  HOH HOH A . 
C 3 HOH 44 444 28  HOH HOH A . 
C 3 HOH 45 445 10  HOH HOH A . 
C 3 HOH 46 446 52  HOH HOH A . 
C 3 HOH 47 447 38  HOH HOH A . 
C 3 HOH 48 448 21  HOH HOH A . 
C 3 HOH 49 449 42  HOH HOH A . 
C 3 HOH 50 450 65  HOH HOH A . 
C 3 HOH 51 451 32  HOH HOH A . 
C 3 HOH 52 452 30  HOH HOH A . 
C 3 HOH 53 453 58  HOH HOH A . 
C 3 HOH 54 454 43  HOH HOH A . 
C 3 HOH 55 455 34  HOH HOH A . 
C 3 HOH 56 456 54  HOH HOH A . 
C 3 HOH 57 457 51  HOH HOH A . 
C 3 HOH 58 458 20  HOH HOH A . 
C 3 HOH 59 459 50  HOH HOH A . 
C 3 HOH 60 460 14  HOH HOH A . 
C 3 HOH 61 461 64  HOH HOH A . 
C 3 HOH 62 462 55  HOH HOH A . 
C 3 HOH 63 463 62  HOH HOH A . 
C 3 HOH 64 464 44  HOH HOH A . 
C 3 HOH 65 465 39  HOH HOH A . 
C 3 HOH 66 466 61  HOH HOH A . 
C 3 HOH 67 467 59  HOH HOH A . 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 XDS         .           ?               package 'Wolfgang Kabsch' Wolfgang.Kabsch@mpimf-heidelberg.mpg.de 'data reduction'  
http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/     ?   ? 
2 Aimless     0.7.7       23/04/21        program 'Phil Evans'      ?                                       'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?   ? 
3 DIMPLE      .           ?               program 'Marcin Wojdyr'   wojdyr@gmail.com                        phasing           
http://ccp4.github.io/dimple/                       ?   ? 
4 PHENIX      1.20.1_4487 ?               package 'Paul D. Adams'   PDAdams@lbl.gov                         refinement        
http://www.phenix-online.org/                       C++ ? 
5 PDB_EXTRACT 3.28        'Apr. 15, 2021' package PDB               deposit@deposit.rcsb.org                'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++ ? 
# 
_cell.volume             614672.862 
_cell.length_a           67.700 
_cell.length_b           91.720 
_cell.length_c           98.990 
_cell.angle_beta         90.000 
_cell.angle_gamma        90.000 
_cell.angle_alpha        90.000 
_cell.entry_id           7HAP 
_cell.Z_PDB              8 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.Int_Tables_number                23 
_symmetry.space_group_name_H-M             'I 2 2 2' 
_symmetry.space_group_name_Hall            'I 2 2' 
_symmetry.entry_id                         7HAP 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
# 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
_exptl.entry_id          7HAP 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_Matthews      2.88 
_exptl_crystal.density_percent_sol   57.23 
_exptl_crystal.density_meas          ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8.5 
_exptl_crystal_grow.temp            277 
_exptl_crystal_grow.pdbx_details    '100mM Tris-HCl pH 8.5, 22% PEG4000, 200mM MgCl2' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.crystal_id             1 
_diffrn.ambient_temp           100 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER X 16M' 
_diffrn_detector.pdbx_collection_date   2024-01-21 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.pdbx_scattering_type             x-ray 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.monochromator                    Si111 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97918 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.pdbx_synchrotron_beamline   BL10U2 
_diffrn_source.type                        'SSRF BEAMLINE BL10U2' 
_diffrn_source.pdbx_wavelength_list        0.97918 
_diffrn_source.pdbx_synchrotron_site       SSRF 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HAP 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             30.240 
_reflns.d_resolution_high            2.350 
_reflns.number_obs                   13175 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         99.900 
_reflns.pdbx_Rmerge_I_obs            0.172 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        11.400 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              12.800 
_reflns.pdbx_Rrim_I_all              0.179 
_reflns.pdbx_Rpim_I_all              0.050 
_reflns.pdbx_CC_half                 0.997 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     168608 
_reflns.pdbx_scaling_rejects         22 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 2.350  2.410  ? 12345 957 ? 1.811 ? ? ? 12.900 ? 1.600  ? ? ? ? ? ? 100.000 1.885 0.520 0.603 
1 2 10.510 30.240 ? 1320  168 ? 0.050 ? ? ? 7.900  ? 29.600 ? ? ? ? ? ? 95.200  0.054 0.018 0.992 
# 
_refine.entry_id                                 7HAP 
_refine.pdbx_method_to_determine_struct          'FOURIER SYNTHESIS' 
_refine.ls_percent_reflns_R_free                 5.51 
_refine.pdbx_overall_phase_error                 25.0078 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_R_factor_obs                          0.2063 
_refine.B_iso_mean                               50.79 
_refine.ls_number_reflns_R_free                  726 
_refine.ls_percent_reflns_obs                    99.92 
_refine.ls_R_factor_R_work                       0.2039 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.ls_d_res_high                            2.35 
_refine.ls_number_reflns_obs                     13170 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.ls_number_reflns_R_work                  12444 
_refine.ls_d_res_low                             29.66 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.ls_R_factor_R_free                       0.2483 
_refine.overall_SU_ML                            0.2298 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.occupancy_min                            ? 
_refine.occupancy_max                            ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.solvent_model_param_ksol                 ? 
_refine.solvent_model_param_bsol                 ? 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.details                                  ? 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.overall_SU_B                             ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1644 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         15 
_refine_hist.number_atoms_solvent             67 
_refine_hist.number_atoms_total               1726 
_refine_hist.d_res_high                       2.35 
_refine_hist.d_res_low                        29.66 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.type 
_refine_ls_restr.number 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
_refine_ls_restr.dev_ideal_target 
'X-RAY DIFFRACTION' f_bond_d           1686 0.0021 ? ? ? 
'X-RAY DIFFRACTION' f_angle_d          2273 0.4800 ? ? ? 
'X-RAY DIFFRACTION' f_chiral_restr     259  0.0399 ? ? ? 
'X-RAY DIFFRACTION' f_plane_restr      289  0.0044 ? ? ? 
'X-RAY DIFFRACTION' f_dihedral_angle_d 224  6.7732 ? ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.R_factor_R_free 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.R_factor_all 
'X-RAY DIFFRACTION' 2.35 2.53  2454 0.2792 100.00 0.2952 135 . . . . . 
'X-RAY DIFFRACTION' 2.53 2.79  2465 0.2599 99.92  0.2930 132 . . . . . 
'X-RAY DIFFRACTION' 2.79 3.19  2441 0.2452 99.92  0.2750 165 . . . . . 
'X-RAY DIFFRACTION' 3.19 4.01  2470 0.2096 99.92  0.2536 159 . . . . . 
'X-RAY DIFFRACTION' 4.02 29.66 2614 0.1632 99.82  0.2140 135 . . . . . 
# 
_struct.entry_id                  7HAP 
_struct.title                     'PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13088' 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_details        ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HAP 
_struct_keywords.pdbx_keywords   CHAPERONE 
_struct_keywords.text            
'Crystallographic Fragment Screening; Fragment-Based Drug Discovery (FBDD); Heat shock protein 90 (HSP90), CHAPERONE' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    HS90A_HUMAN 
_struct_ref.pdbx_db_accession          P07900 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;DQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRT
LTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGG
SFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE
;
_struct_ref.pdbx_align_begin           9 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HAP 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 2 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 229 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P07900 
_struct_ref_seq.db_align_beg                  9 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  236 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       9 
_struct_ref_seq.pdbx_auth_seq_align_end       236 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 7HAP MET A 1   ? UNP P07900 ? ? 'initiating methionine' 8   1 
1 7HAP LEU A 230 ? UNP P07900 ? ? 'expression tag'        237 2 
1 7HAP GLU A 231 ? UNP P07900 ? ? 'expression tag'        238 3 
1 7HAP HIS A 232 ? UNP P07900 ? ? 'expression tag'        239 4 
1 7HAP HIS A 233 ? UNP P07900 ? ? 'expression tag'        240 5 
1 7HAP HIS A 234 ? UNP P07900 ? ? 'expression tag'        241 6 
1 7HAP HIS A 235 ? UNP P07900 ? ? 'expression tag'        242 7 
1 7HAP HIS A 236 ? UNP P07900 ? ? 'expression tag'        243 8 
1 7HAP HIS A 237 ? UNP P07900 ? ? 'expression tag'        244 9 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1  AA1 GLN A 16  ? THR A 29  ? GLN A 23  THR A 36  1 ? 14 
HELX_P HELX_P2  AA2 ASN A 33  ? GLU A 35  ? ASN A 40  GLU A 42  5 ? 3  
HELX_P HELX_P3  AA3 ILE A 36  ? THR A 58  ? ILE A 43  THR A 65  1 ? 23 
HELX_P HELX_P4  AA4 ASP A 59  ? ASP A 64  ? ASP A 66  ASP A 71  5 ? 6  
HELX_P HELX_P5  AA5 THR A 92  ? ASN A 98  ? THR A 99  ASN A 105 1 ? 7  
HELX_P HELX_P6  AA6 ASN A 98  ? GLY A 118 ? ASN A 105 GLY A 125 1 ? 21 
HELX_P HELX_P7  AA7 ASP A 120 ? GLY A 128 ? ASP A 127 GLY A 135 5 ? 9  
HELX_P HELX_P8  AA8 VAL A 129 ? LEU A 136 ? VAL A 136 LEU A 143 5 ? 8  
HELX_P HELX_P9  AA9 GLU A 185 ? LEU A 191 ? GLU A 192 LEU A 198 5 ? 7  
HELX_P HELX_P10 AB1 GLU A 192 ? SER A 204 ? GLU A 199 SER A 211 1 ? 13 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   8 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA1 7 8 ? 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 GLU A 11  ? ALA A 14  ? GLU A 18  ALA A 21  
AA1 2 SER A 162 ? THR A 167 ? SER A 169 THR A 174 
AA1 3 GLN A 152 ? SER A 157 ? GLN A 159 SER A 164 
AA1 4 ALA A 138 ? LYS A 146 ? ALA A 145 LYS A 153 
AA1 5 GLY A 176 ? LEU A 183 ? GLY A 183 LEU A 190 
AA1 6 THR A 81  ? ASP A 86  ? THR A 88  ASP A 93  
AA1 7 ILE A 71  ? ASN A 76  ? ILE A 78  ASN A 83  
AA1 8 ILE A 211 ? LEU A 213 ? ILE A 218 LEU A 220 
# 
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 PHE A 13  ? N PHE A 20  O PHE A 163 ? O PHE A 170 
AA1 2 3 O ARG A 166 ? O ARG A 173 N ALA A 154 ? N ALA A 161 
AA1 3 4 O TRP A 155 ? O TRP A 162 N VAL A 143 ? N VAL A 150 
AA1 4 5 N THR A 142 ? N THR A 149 O ILE A 180 ? O ILE A 187 
AA1 5 6 O LEU A 181 ? O LEU A 188 N LEU A 82  ? N LEU A 89  
AA1 6 7 O VAL A 85  ? O VAL A 92  N ASN A 72  ? N ASN A 79  
AA1 7 8 N LEU A 73  ? N LEU A 80  O THR A 212 ? O THR A 219 
# 
_pdbx_entry_details.entry_id                   7HAP 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 OE1 A GLU 18  ? ? O A HOH 401 ? ? 1.99 
2 1 O   A HOH 418 ? ? O A HOH 437 ? ? 2.09 
3 1 OE2 A GLU 205 ? ? O A HOH 402 ? ? 2.13 
4 1 OG1 A THR 195 ? ? O A HOH 403 ? ? 2.13 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASP A 66  ? ? -162.36 79.75   
2 1 THR A 94  ? ? -98.93  43.16   
3 1 ALA A 166 ? ? 58.66   -147.33 
4 1 ARG A 182 ? ? -171.66 135.77  
5 1 GLU A 223 ? ? -119.18 -170.00 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z               
2 x,-y,-z             
3 -x,y,-z             
4 -x,-y,z             
5 x+1/2,y+1/2,z+1/2   
6 x+1/2,-y+1/2,-z+1/2 
7 -x+1/2,y+1/2,-z+1/2 
8 -x+1/2,-y+1/2,z+1/2 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][3] 
1 ? 'X-RAY DIFFRACTION' refined 13.3635921527  -18.1193045714 -18.1812429917 0.440455546262 0.409688477988 0.427939525878 
0.0608971730521  -0.0271332863113  -0.0540091142822 2.27825370153 1.88029512043 3.92301449214 -0.23614693193   -0.924008406347   
0.950101429356  -0.0430005784745 -0.124863677652   0.0593231164848 0.155226092677  0.0496964887553  0.0029476972227 0.126926146615 
0.297620160061  -0.166404334896  
2 ? 'X-RAY DIFFRACTION' refined -5.45914176684 -11.8235281374 -24.9484538236 0.490068647413 0.367931582295 0.399389119596 
0.00519681004846 -0.00434569318035 0.00407202219089 2.1746317403  1.89788860283 1.77451043974 -0.246769470672  -0.00717883385666 
0.363726090357  0.0517204486166  0.063423814078    0.231786719852  -0.191124530386 -0.0664512197098 0.040777427121  
0.00726128166708 -0.16493900478  0.00279653996079 
3 ? 'X-RAY DIFFRACTION' refined 12.955703872   -6.21277773139 -15.2349632071 0.484260823926 0.4530129524   0.58387731125  
-0.036508616455  0.0445143120915   -0.0499035625175 6.27323916388 4.84186528884 8.11286430791 -0.929377638483  -2.76906276631    
0.0899849105223 0.194064747925   -0.847486811663   0.993478732336  0.0941387512682 0.0691630625989  -0.524865787693 
-0.151138854467  0.56723711414   -0.0626902683989 
4 ? 'X-RAY DIFFRACTION' refined -2.69268965397 -18.9743126835 -20.0378251597 0.387999739876 0.290832279692 0.377270900428 
-0.0166672028596 -0.0133874134553  0.00140228778475 4.18457513434 1.45235340996 3.07974291393 -0.0332583361365 -0.27649443229    
0.123588850045  -0.0536242643456 -0.00934389450069 -0.299635251392 0.0287553907671 0.0194279061898  0.10986903825   0.21552384259 
-0.114236769469 0.049714969868   
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 1 'X-RAY DIFFRACTION' A 16  A 1   A 40  A 25  . 
;chain 'A' and (resid 16 through 40 )
;
2 2 'X-RAY DIFFRACTION' A 41  A 26  A 105 A 90  . 
;chain 'A' and (resid 41 through 105 )
;
3 3 'X-RAY DIFFRACTION' A 106 A 91  A 136 A 121 . 
;chain 'A' and (resid 106 through 136 )
;
4 4 'X-RAY DIFFRACTION' A 137 A 122 A 224 A 209 . 
;chain 'A' and (resid 137 through 224 )
;
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A MET 8   ? A MET 1   
2  1 Y 1 A ASP 9   ? A ASP 2   
3  1 Y 1 A GLN 10  ? A GLN 3   
4  1 Y 1 A PRO 11  ? A PRO 4   
5  1 Y 1 A MET 12  ? A MET 5   
6  1 Y 1 A GLU 13  ? A GLU 6   
7  1 Y 1 A GLU 14  ? A GLU 7   
8  1 Y 1 A GLU 15  ? A GLU 8   
9  1 Y 1 A GLU 225 ? A GLU 218 
10 1 Y 1 A ARG 226 ? A ARG 219 
11 1 Y 1 A ASP 227 ? A ASP 220 
12 1 Y 1 A LYS 228 ? A LYS 221 
13 1 Y 1 A GLU 229 ? A GLU 222 
14 1 Y 1 A VAL 230 ? A VAL 223 
15 1 Y 1 A SER 231 ? A SER 224 
16 1 Y 1 A ASP 232 ? A ASP 225 
17 1 Y 1 A ASP 233 ? A ASP 226 
18 1 Y 1 A GLU 234 ? A GLU 227 
19 1 Y 1 A ALA 235 ? A ALA 228 
20 1 Y 1 A GLU 236 ? A GLU 229 
21 1 Y 1 A LEU 237 ? A LEU 230 
22 1 Y 1 A GLU 238 ? A GLU 231 
23 1 Y 1 A HIS 239 ? A HIS 232 
24 1 Y 1 A HIS 240 ? A HIS 233 
25 1 Y 1 A HIS 241 ? A HIS 234 
26 1 Y 1 A HIS 242 ? A HIS 235 
27 1 Y 1 A HIS 243 ? A HIS 236 
28 1 Y 1 A HIS 244 ? A HIS 237 
# 
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  
FMQ F12  F N N 74  
FMQ C9   C Y N 75  
FMQ C8   C Y N 76  
FMQ C7   C Y N 77  
FMQ C10  C Y N 78  
FMQ C11  C Y N 79  
FMQ C6   C Y N 80  
FMQ N3   N Y N 81  
FMQ C2   C Y N 82  
FMQ C13  C N N 83  
FMQ N4   N Y N 84  
FMQ C5   C Y N 85  
FMQ C1   C Y N 86  
FMQ C14  C N N 87  
FMQ O15  O N N 88  
FMQ H1   H N N 89  
FMQ H2   H N N 90  
FMQ H3   H N N 91  
FMQ H4   H N N 92  
FMQ H5   H N N 93  
FMQ H6   H N N 94  
FMQ H7   H N N 95  
FMQ H8   H N N 96  
FMQ H9   H N N 97  
FMQ H10  H N N 98  
FMQ H11  H N N 99  
GLN N    N N N 100 
GLN CA   C N S 101 
GLN C    C N N 102 
GLN O    O N N 103 
GLN CB   C N N 104 
GLN CG   C N N 105 
GLN CD   C N N 106 
GLN OE1  O N N 107 
GLN NE2  N N N 108 
GLN OXT  O N N 109 
GLN H    H N N 110 
GLN H2   H N N 111 
GLN HA   H N N 112 
GLN HB2  H N N 113 
GLN HB3  H N N 114 
GLN HG2  H N N 115 
GLN HG3  H N N 116 
GLN HE21 H N N 117 
GLN HE22 H N N 118 
GLN HXT  H N N 119 
GLU N    N N N 120 
GLU CA   C N S 121 
GLU C    C N N 122 
GLU O    O N N 123 
GLU CB   C N N 124 
GLU CG   C N N 125 
GLU CD   C N N 126 
GLU OE1  O N N 127 
GLU OE2  O N N 128 
GLU OXT  O N N 129 
GLU H    H N N 130 
GLU H2   H N N 131 
GLU HA   H N N 132 
GLU HB2  H N N 133 
GLU HB3  H N N 134 
GLU HG2  H N N 135 
GLU HG3  H N N 136 
GLU HE2  H N N 137 
GLU HXT  H N N 138 
GLY N    N N N 139 
GLY CA   C N N 140 
GLY C    C N N 141 
GLY O    O N N 142 
GLY OXT  O N N 143 
GLY H    H N N 144 
GLY H2   H N N 145 
GLY HA2  H N N 146 
GLY HA3  H N N 147 
GLY HXT  H N N 148 
HIS N    N N N 149 
HIS CA   C N S 150 
HIS C    C N N 151 
HIS O    O N N 152 
HIS CB   C N N 153 
HIS CG   C Y N 154 
HIS ND1  N Y N 155 
HIS CD2  C Y N 156 
HIS CE1  C Y N 157 
HIS NE2  N Y N 158 
HIS OXT  O N N 159 
HIS H    H N N 160 
HIS H2   H N N 161 
HIS HA   H N N 162 
HIS HB2  H N N 163 
HIS HB3  H N N 164 
HIS HD1  H N N 165 
HIS HD2  H N N 166 
HIS HE1  H N N 167 
HIS HE2  H N N 168 
HIS HXT  H N N 169 
HOH O    O N N 170 
HOH H1   H N N 171 
HOH H2   H N N 172 
ILE N    N N N 173 
ILE CA   C N S 174 
ILE C    C N N 175 
ILE O    O N N 176 
ILE CB   C N S 177 
ILE CG1  C N N 178 
ILE CG2  C N N 179 
ILE CD1  C N N 180 
ILE OXT  O N N 181 
ILE H    H N N 182 
ILE H2   H N N 183 
ILE HA   H N N 184 
ILE HB   H N N 185 
ILE HG12 H N N 186 
ILE HG13 H N N 187 
ILE HG21 H N N 188 
ILE HG22 H N N 189 
ILE HG23 H N N 190 
ILE HD11 H N N 191 
ILE HD12 H N N 192 
ILE HD13 H N N 193 
ILE HXT  H N N 194 
LEU N    N N N 195 
LEU CA   C N S 196 
LEU C    C N N 197 
LEU O    O N N 198 
LEU CB   C N N 199 
LEU CG   C N N 200 
LEU CD1  C N N 201 
LEU CD2  C N N 202 
LEU OXT  O N N 203 
LEU H    H N N 204 
LEU H2   H N N 205 
LEU HA   H N N 206 
LEU HB2  H N N 207 
LEU HB3  H N N 208 
LEU HG   H N N 209 
LEU HD11 H N N 210 
LEU HD12 H N N 211 
LEU HD13 H N N 212 
LEU HD21 H N N 213 
LEU HD22 H N N 214 
LEU HD23 H N N 215 
LEU HXT  H N N 216 
LYS N    N N N 217 
LYS CA   C N S 218 
LYS C    C N N 219 
LYS O    O N N 220 
LYS CB   C N N 221 
LYS CG   C N N 222 
LYS CD   C N N 223 
LYS CE   C N N 224 
LYS NZ   N N N 225 
LYS OXT  O N N 226 
LYS H    H N N 227 
LYS H2   H N N 228 
LYS HA   H N N 229 
LYS HB2  H N N 230 
LYS HB3  H N N 231 
LYS HG2  H N N 232 
LYS HG3  H N N 233 
LYS HD2  H N N 234 
LYS HD3  H N N 235 
LYS HE2  H N N 236 
LYS HE3  H N N 237 
LYS HZ1  H N N 238 
LYS HZ2  H N N 239 
LYS HZ3  H N N 240 
LYS HXT  H N N 241 
MET N    N N N 242 
MET CA   C N S 243 
MET C    C N N 244 
MET O    O N N 245 
MET CB   C N N 246 
MET CG   C N N 247 
MET SD   S N N 248 
MET CE   C N N 249 
MET OXT  O N N 250 
MET H    H N N 251 
MET H2   H N N 252 
MET HA   H N N 253 
MET HB2  H N N 254 
MET HB3  H N N 255 
MET HG2  H N N 256 
MET HG3  H N N 257 
MET HE1  H N N 258 
MET HE2  H N N 259 
MET HE3  H N N 260 
MET HXT  H N N 261 
PHE N    N N N 262 
PHE CA   C N S 263 
PHE C    C N N 264 
PHE O    O N N 265 
PHE CB   C N N 266 
PHE CG   C Y N 267 
PHE CD1  C Y N 268 
PHE CD2  C Y N 269 
PHE CE1  C Y N 270 
PHE CE2  C Y N 271 
PHE CZ   C Y N 272 
PHE OXT  O N N 273 
PHE H    H N N 274 
PHE H2   H N N 275 
PHE HA   H N N 276 
PHE HB2  H N N 277 
PHE HB3  H N N 278 
PHE HD1  H N N 279 
PHE HD2  H N N 280 
PHE HE1  H N N 281 
PHE HE2  H N N 282 
PHE HZ   H N N 283 
PHE HXT  H N N 284 
PRO N    N N N 285 
PRO CA   C N S 286 
PRO C    C N N 287 
PRO O    O N N 288 
PRO CB   C N N 289 
PRO CG   C N N 290 
PRO CD   C N N 291 
PRO OXT  O N N 292 
PRO H    H N N 293 
PRO HA   H N N 294 
PRO HB2  H N N 295 
PRO HB3  H N N 296 
PRO HG2  H N N 297 
PRO HG3  H N N 298 
PRO HD2  H N N 299 
PRO HD3  H N N 300 
PRO HXT  H N N 301 
SER N    N N N 302 
SER CA   C N S 303 
SER C    C N N 304 
SER O    O N N 305 
SER CB   C N N 306 
SER OG   O N N 307 
SER OXT  O N N 308 
SER H    H N N 309 
SER H2   H N N 310 
SER HA   H N N 311 
SER HB2  H N N 312 
SER HB3  H N N 313 
SER HG   H N N 314 
SER HXT  H N N 315 
THR N    N N N 316 
THR CA   C N S 317 
THR C    C N N 318 
THR O    O N N 319 
THR CB   C N R 320 
THR OG1  O N N 321 
THR CG2  C N N 322 
THR OXT  O N N 323 
THR H    H N N 324 
THR H2   H N N 325 
THR HA   H N N 326 
THR HB   H N N 327 
THR HG1  H N N 328 
THR HG21 H N N 329 
THR HG22 H N N 330 
THR HG23 H N N 331 
THR HXT  H N N 332 
TRP N    N N N 333 
TRP CA   C N S 334 
TRP C    C N N 335 
TRP O    O N N 336 
TRP CB   C N N 337 
TRP CG   C Y N 338 
TRP CD1  C Y N 339 
TRP CD2  C Y N 340 
TRP NE1  N Y N 341 
TRP CE2  C Y N 342 
TRP CE3  C Y N 343 
TRP CZ2  C Y N 344 
TRP CZ3  C Y N 345 
TRP CH2  C Y N 346 
TRP OXT  O N N 347 
TRP H    H N N 348 
TRP H2   H N N 349 
TRP HA   H N N 350 
TRP HB2  H N N 351 
TRP HB3  H N N 352 
TRP HD1  H N N 353 
TRP HE1  H N N 354 
TRP HE3  H N N 355 
TRP HZ2  H N N 356 
TRP HZ3  H N N 357 
TRP HH2  H N N 358 
TRP HXT  H N N 359 
TYR N    N N N 360 
TYR CA   C N S 361 
TYR C    C N N 362 
TYR O    O N N 363 
TYR CB   C N N 364 
TYR CG   C Y N 365 
TYR CD1  C Y N 366 
TYR CD2  C Y N 367 
TYR CE1  C Y N 368 
TYR CE2  C Y N 369 
TYR CZ   C Y N 370 
TYR OH   O N N 371 
TYR OXT  O N N 372 
TYR H    H N N 373 
TYR H2   H N N 374 
TYR HA   H N N 375 
TYR HB2  H N N 376 
TYR HB3  H N N 377 
TYR HD1  H N N 378 
TYR HD2  H N N 379 
TYR HE1  H N N 380 
TYR HE2  H N N 381 
TYR HH   H N N 382 
TYR HXT  H N N 383 
VAL N    N N N 384 
VAL CA   C N S 385 
VAL C    C N N 386 
VAL O    O N N 387 
VAL CB   C N N 388 
VAL CG1  C N N 389 
VAL CG2  C N N 390 
VAL OXT  O N N 391 
VAL H    H N N 392 
VAL H2   H N N 393 
VAL HA   H N N 394 
VAL HB   H N N 395 
VAL HG11 H N N 396 
VAL HG12 H N N 397 
VAL HG13 H N N 398 
VAL HG21 H N N 399 
VAL HG22 H N N 400 
VAL HG23 H N N 401 
VAL HXT  H N N 402 
# 
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  
FMQ O15 C14  sing N N 70  
FMQ C14 C1   sing N N 71  
FMQ C13 C2   sing N N 72  
FMQ C1  C2   doub Y N 73  
FMQ C1  C5   sing Y N 74  
FMQ C2  N3   sing Y N 75  
FMQ C5  N4   doub Y N 76  
FMQ N3  N4   sing Y N 77  
FMQ N3  C6   sing N N 78  
FMQ C7  C6   doub Y N 79  
FMQ C7  C8   sing Y N 80  
FMQ C6  C11  sing Y N 81  
FMQ C8  C9   doub Y N 82  
FMQ C11 C10  doub Y N 83  
FMQ C9  C10  sing Y N 84  
FMQ C9  F12  sing N N 85  
FMQ C8  H1   sing N N 86  
FMQ C7  H2   sing N N 87  
FMQ C10 H3   sing N N 88  
FMQ C11 H4   sing N N 89  
FMQ C13 H5   sing N N 90  
FMQ C13 H6   sing N N 91  
FMQ C13 H7   sing N N 92  
FMQ C5  H8   sing N N 93  
FMQ C14 H9   sing N N 94  
FMQ C14 H10  sing N N 95  
FMQ O15 H11  sing N N 96  
GLN N   CA   sing N N 97  
GLN N   H    sing N N 98  
GLN N   H2   sing N N 99  
GLN CA  C    sing N N 100 
GLN CA  CB   sing N N 101 
GLN CA  HA   sing N N 102 
GLN C   O    doub N N 103 
GLN C   OXT  sing N N 104 
GLN CB  CG   sing N N 105 
GLN CB  HB2  sing N N 106 
GLN CB  HB3  sing N N 107 
GLN CG  CD   sing N N 108 
GLN CG  HG2  sing N N 109 
GLN CG  HG3  sing N N 110 
GLN CD  OE1  doub N N 111 
GLN CD  NE2  sing N N 112 
GLN NE2 HE21 sing N N 113 
GLN NE2 HE22 sing N N 114 
GLN OXT HXT  sing N N 115 
GLU N   CA   sing N N 116 
GLU N   H    sing N N 117 
GLU N   H2   sing N N 118 
GLU CA  C    sing N N 119 
GLU CA  CB   sing N N 120 
GLU CA  HA   sing N N 121 
GLU C   O    doub N N 122 
GLU C   OXT  sing N N 123 
GLU CB  CG   sing N N 124 
GLU CB  HB2  sing N N 125 
GLU CB  HB3  sing N N 126 
GLU CG  CD   sing N N 127 
GLU CG  HG2  sing N N 128 
GLU CG  HG3  sing N N 129 
GLU CD  OE1  doub N N 130 
GLU CD  OE2  sing N N 131 
GLU OE2 HE2  sing N N 132 
GLU OXT HXT  sing N N 133 
GLY N   CA   sing N N 134 
GLY N   H    sing N N 135 
GLY N   H2   sing N N 136 
GLY CA  C    sing N N 137 
GLY CA  HA2  sing N N 138 
GLY CA  HA3  sing N N 139 
GLY C   O    doub N N 140 
GLY C   OXT  sing N N 141 
GLY OXT HXT  sing N N 142 
HIS N   CA   sing N N 143 
HIS N   H    sing N N 144 
HIS N   H2   sing N N 145 
HIS CA  C    sing N N 146 
HIS CA  CB   sing N N 147 
HIS CA  HA   sing N N 148 
HIS C   O    doub N N 149 
HIS C   OXT  sing N N 150 
HIS CB  CG   sing N N 151 
HIS CB  HB2  sing N N 152 
HIS CB  HB3  sing N N 153 
HIS CG  ND1  sing Y N 154 
HIS CG  CD2  doub Y N 155 
HIS ND1 CE1  doub Y N 156 
HIS ND1 HD1  sing N N 157 
HIS CD2 NE2  sing Y N 158 
HIS CD2 HD2  sing N N 159 
HIS CE1 NE2  sing Y N 160 
HIS CE1 HE1  sing N N 161 
HIS NE2 HE2  sing N N 162 
HIS OXT HXT  sing N N 163 
HOH O   H1   sing N N 164 
HOH O   H2   sing N N 165 
ILE N   CA   sing N N 166 
ILE N   H    sing N N 167 
ILE N   H2   sing N N 168 
ILE CA  C    sing N N 169 
ILE CA  CB   sing N N 170 
ILE CA  HA   sing N N 171 
ILE C   O    doub N N 172 
ILE C   OXT  sing N N 173 
ILE CB  CG1  sing N N 174 
ILE CB  CG2  sing N N 175 
ILE CB  HB   sing N N 176 
ILE CG1 CD1  sing N N 177 
ILE CG1 HG12 sing N N 178 
ILE CG1 HG13 sing N N 179 
ILE CG2 HG21 sing N N 180 
ILE CG2 HG22 sing N N 181 
ILE CG2 HG23 sing N N 182 
ILE CD1 HD11 sing N N 183 
ILE CD1 HD12 sing N N 184 
ILE CD1 HD13 sing N N 185 
ILE OXT HXT  sing N N 186 
LEU N   CA   sing N N 187 
LEU N   H    sing N N 188 
LEU N   H2   sing N N 189 
LEU CA  C    sing N N 190 
LEU CA  CB   sing N N 191 
LEU CA  HA   sing N N 192 
LEU C   O    doub N N 193 
LEU C   OXT  sing N N 194 
LEU CB  CG   sing N N 195 
LEU CB  HB2  sing N N 196 
LEU CB  HB3  sing N N 197 
LEU CG  CD1  sing N N 198 
LEU CG  CD2  sing N N 199 
LEU CG  HG   sing N N 200 
LEU CD1 HD11 sing N N 201 
LEU CD1 HD12 sing N N 202 
LEU CD1 HD13 sing N N 203 
LEU CD2 HD21 sing N N 204 
LEU CD2 HD22 sing N N 205 
LEU CD2 HD23 sing N N 206 
LEU OXT HXT  sing N N 207 
LYS N   CA   sing N N 208 
LYS N   H    sing N N 209 
LYS N   H2   sing N N 210 
LYS CA  C    sing N N 211 
LYS CA  CB   sing N N 212 
LYS CA  HA   sing N N 213 
LYS C   O    doub N N 214 
LYS C   OXT  sing N N 215 
LYS CB  CG   sing N N 216 
LYS CB  HB2  sing N N 217 
LYS CB  HB3  sing N N 218 
LYS CG  CD   sing N N 219 
LYS CG  HG2  sing N N 220 
LYS CG  HG3  sing N N 221 
LYS CD  CE   sing N N 222 
LYS CD  HD2  sing N N 223 
LYS CD  HD3  sing N N 224 
LYS CE  NZ   sing N N 225 
LYS CE  HE2  sing N N 226 
LYS CE  HE3  sing N N 227 
LYS NZ  HZ1  sing N N 228 
LYS NZ  HZ2  sing N N 229 
LYS NZ  HZ3  sing N N 230 
LYS OXT HXT  sing N N 231 
MET N   CA   sing N N 232 
MET N   H    sing N N 233 
MET N   H2   sing N N 234 
MET CA  C    sing N N 235 
MET CA  CB   sing N N 236 
MET CA  HA   sing N N 237 
MET C   O    doub N N 238 
MET C   OXT  sing N N 239 
MET CB  CG   sing N N 240 
MET CB  HB2  sing N N 241 
MET CB  HB3  sing N N 242 
MET CG  SD   sing N N 243 
MET CG  HG2  sing N N 244 
MET CG  HG3  sing N N 245 
MET SD  CE   sing N N 246 
MET CE  HE1  sing N N 247 
MET CE  HE2  sing N N 248 
MET CE  HE3  sing N N 249 
MET OXT HXT  sing N N 250 
PHE N   CA   sing N N 251 
PHE N   H    sing N N 252 
PHE N   H2   sing N N 253 
PHE CA  C    sing N N 254 
PHE CA  CB   sing N N 255 
PHE CA  HA   sing N N 256 
PHE C   O    doub N N 257 
PHE C   OXT  sing N N 258 
PHE CB  CG   sing N N 259 
PHE CB  HB2  sing N N 260 
PHE CB  HB3  sing N N 261 
PHE CG  CD1  doub Y N 262 
PHE CG  CD2  sing Y N 263 
PHE CD1 CE1  sing Y N 264 
PHE CD1 HD1  sing N N 265 
PHE CD2 CE2  doub Y N 266 
PHE CD2 HD2  sing N N 267 
PHE CE1 CZ   doub Y N 268 
PHE CE1 HE1  sing N N 269 
PHE CE2 CZ   sing Y N 270 
PHE CE2 HE2  sing N N 271 
PHE CZ  HZ   sing N N 272 
PHE OXT HXT  sing N N 273 
PRO N   CA   sing N N 274 
PRO N   CD   sing N N 275 
PRO N   H    sing N N 276 
PRO CA  C    sing N N 277 
PRO CA  CB   sing N N 278 
PRO CA  HA   sing N N 279 
PRO C   O    doub N N 280 
PRO C   OXT  sing N N 281 
PRO CB  CG   sing N N 282 
PRO CB  HB2  sing N N 283 
PRO CB  HB3  sing N N 284 
PRO CG  CD   sing N N 285 
PRO CG  HG2  sing N N 286 
PRO CG  HG3  sing N N 287 
PRO CD  HD2  sing N N 288 
PRO CD  HD3  sing N N 289 
PRO OXT HXT  sing N N 290 
SER N   CA   sing N N 291 
SER N   H    sing N N 292 
SER N   H2   sing N N 293 
SER CA  C    sing N N 294 
SER CA  CB   sing N N 295 
SER CA  HA   sing N N 296 
SER C   O    doub N N 297 
SER C   OXT  sing N N 298 
SER CB  OG   sing N N 299 
SER CB  HB2  sing N N 300 
SER CB  HB3  sing N N 301 
SER OG  HG   sing N N 302 
SER OXT HXT  sing N N 303 
THR N   CA   sing N N 304 
THR N   H    sing N N 305 
THR N   H2   sing N N 306 
THR CA  C    sing N N 307 
THR CA  CB   sing N N 308 
THR CA  HA   sing N N 309 
THR C   O    doub N N 310 
THR C   OXT  sing N N 311 
THR CB  OG1  sing N N 312 
THR CB  CG2  sing N N 313 
THR CB  HB   sing N N 314 
THR OG1 HG1  sing N N 315 
THR CG2 HG21 sing N N 316 
THR CG2 HG22 sing N N 317 
THR CG2 HG23 sing N N 318 
THR OXT HXT  sing N N 319 
TRP N   CA   sing N N 320 
TRP N   H    sing N N 321 
TRP N   H2   sing N N 322 
TRP CA  C    sing N N 323 
TRP CA  CB   sing N N 324 
TRP CA  HA   sing N N 325 
TRP C   O    doub N N 326 
TRP C   OXT  sing N N 327 
TRP CB  CG   sing N N 328 
TRP CB  HB2  sing N N 329 
TRP CB  HB3  sing N N 330 
TRP CG  CD1  doub Y N 331 
TRP CG  CD2  sing Y N 332 
TRP CD1 NE1  sing Y N 333 
TRP CD1 HD1  sing N N 334 
TRP CD2 CE2  doub Y N 335 
TRP CD2 CE3  sing Y N 336 
TRP NE1 CE2  sing Y N 337 
TRP NE1 HE1  sing N N 338 
TRP CE2 CZ2  sing Y N 339 
TRP CE3 CZ3  doub Y N 340 
TRP CE3 HE3  sing N N 341 
TRP CZ2 CH2  doub Y N 342 
TRP CZ2 HZ2  sing N N 343 
TRP CZ3 CH2  sing Y N 344 
TRP CZ3 HZ3  sing N N 345 
TRP CH2 HH2  sing N N 346 
TRP OXT HXT  sing N N 347 
TYR N   CA   sing N N 348 
TYR N   H    sing N N 349 
TYR N   H2   sing N N 350 
TYR CA  C    sing N N 351 
TYR CA  CB   sing N N 352 
TYR CA  HA   sing N N 353 
TYR C   O    doub N N 354 
TYR C   OXT  sing N N 355 
TYR CB  CG   sing N N 356 
TYR CB  HB2  sing N N 357 
TYR CB  HB3  sing N N 358 
TYR CG  CD1  doub Y N 359 
TYR CG  CD2  sing Y N 360 
TYR CD1 CE1  sing Y N 361 
TYR CD1 HD1  sing N N 362 
TYR CD2 CE2  doub Y N 363 
TYR CD2 HD2  sing N N 364 
TYR CE1 CZ   doub Y N 365 
TYR CE1 HE1  sing N N 366 
TYR CE2 CZ   sing Y N 367 
TYR CE2 HE2  sing N N 368 
TYR CZ  OH   sing N N 369 
TYR OH  HH   sing N N 370 
TYR OXT HXT  sing N N 371 
VAL N   CA   sing N N 372 
VAL N   H    sing N N 373 
VAL N   H2   sing N N 374 
VAL CA  C    sing N N 375 
VAL CA  CB   sing N N 376 
VAL CA  HA   sing N N 377 
VAL C   O    doub N N 378 
VAL C   OXT  sing N N 379 
VAL CB  CG1  sing N N 380 
VAL CB  CG2  sing N N 381 
VAL CB  HB   sing N N 382 
VAL CG1 HG11 sing N N 383 
VAL CG1 HG12 sing N N 384 
VAL CG1 HG13 sing N N 385 
VAL CG2 HG21 sing N N 386 
VAL CG2 HG22 sing N N 387 
VAL CG2 HG23 sing N N 388 
VAL OXT HXT  sing N N 389 
# 
_pdbx_audit_support.funding_organization   'National Natural Science Foundation of China (NSFC)' 
_pdbx_audit_support.country                China 
_pdbx_audit_support.grant_number           2021YFC2301405 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_deposit_group.group_title         'Crystallographic fragment screening of Human heat shock protein 90' 
_pdbx_deposit_group.group_description   
;Heat shock protein 90 (HSP90) is one of the most active molecular chaperones in cells. It plays a vital role in the cell maturation process and serves as a molecular chaperone involved in many oncogenic proteins folding, assembly and stabilization. Many HSP90 client proteins are kinases or transcription factors involved in signal transduction pathways and are key regulatory factors in tumor growth and maintenance. Therefore, HSP90 inhibitors can be used as drugs for cancer treatment.
;
_pdbx_deposit_group.group_type          'changed state' 
_pdbx_deposit_group.group_id            G_1002298 
# 
_space_group.name_H-M_alt     'I 2 2 2' 
_space_group.name_Hall        'I 2 2' 
_space_group.IT_number        23 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    7HAP 
_atom_sites.fract_transf_matrix[1][1]   0.014771 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.010903 
_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]   0.010102 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
F ? ? 8.95735 ?       ? ? 7.27484  ?        ? ? 0.0 
;1-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . GLU A 1 9   ? 6.28856   -29.74126 -38.39399 1.000 70.16673  ? 16  GLU A N   1 
ATOM   2    C CA  . GLU A 1 9   ? 7.58409   -29.07728 -38.47447 1.000 68.80333  ? 16  GLU A CA  1 
ATOM   3    C C   . GLU A 1 9   ? 7.75118   -28.09974 -37.31402 1.000 63.74471  ? 16  GLU A C   1 
ATOM   4    O O   . GLU A 1 9   ? 7.09154   -27.06191 -37.26333 1.000 59.85940  ? 16  GLU A O   1 
ATOM   5    C CB  . GLU A 1 9   ? 7.73053   -28.35575 -39.81624 1.000 74.64631  ? 16  GLU A CB  1 
ATOM   6    C CG  . GLU A 1 9   ? 9.16176   -28.25160 -40.31575 1.000 83.26299  ? 16  GLU A CG  1 
ATOM   7    C CD  . GLU A 1 9   ? 9.68984   -26.83165 -40.28278 1.000 89.03452  ? 16  GLU A CD  1 
ATOM   8    O OE1 . GLU A 1 9   ? 9.12148   -25.99868 -39.54503 1.000 79.51271  ? 16  GLU A OE1 1 
ATOM   9    O OE2 . GLU A 1 9   ? 10.67592  -26.54701 -40.99501 1.000 90.24793  ? 16  GLU A OE2 1 
ATOM   10   N N   . VAL A 1 10  ? 8.63751   -28.43622 -36.38113 1.000 58.65030  ? 17  VAL A N   1 
ATOM   11   C CA  . VAL A 1 10  ? 8.82471   -27.67367 -35.15246 1.000 53.08966  ? 17  VAL A CA  1 
ATOM   12   C C   . VAL A 1 10  ? 10.20293  -27.02917 -35.18114 1.000 48.42234  ? 17  VAL A C   1 
ATOM   13   O O   . VAL A 1 10  ? 11.21068  -27.71208 -35.40160 1.000 47.02277  ? 17  VAL A O   1 
ATOM   14   C CB  . VAL A 1 10  ? 8.66058   -28.56644 -33.91064 1.000 51.95550  ? 17  VAL A CB  1 
ATOM   15   C CG1 . VAL A 1 10  ? 8.92390   -27.76761 -32.63835 1.000 48.26211  ? 17  VAL A CG1 1 
ATOM   16   C CG2 . VAL A 1 10  ? 7.27555   -29.19602 -33.89327 1.000 54.21494  ? 17  VAL A CG2 1 
ATOM   17   N N   . GLU A 1 11  ? 10.24614  -25.71872 -34.95696 1.000 45.23628  ? 18  GLU A N   1 
ATOM   18   C CA  . GLU A 1 11  ? 11.49628  -24.97755 -34.87463 1.000 44.92630  ? 18  GLU A CA  1 
ATOM   19   C C   . GLU A 1 11  ? 11.84218  -24.70011 -33.41837 1.000 45.16026  ? 18  GLU A C   1 
ATOM   20   O O   . GLU A 1 11  ? 10.98178  -24.29231 -32.63320 1.000 42.67866  ? 18  GLU A O   1 
ATOM   21   C CB  . GLU A 1 11  ? 11.40739  -23.65846 -35.64334 1.000 42.79822  ? 18  GLU A CB  1 
ATOM   22   C CG  . GLU A 1 11  ? 11.34993  -23.81347 -37.15124 1.000 48.11275  ? 18  GLU A CG  1 
ATOM   23   C CD  . GLU A 1 11  ? 11.00906  -22.51333 -37.85536 1.000 54.65635  ? 18  GLU A CD  1 
ATOM   24   O OE1 . GLU A 1 11  ? 9.86677   -22.03006 -37.70035 1.000 56.52773  ? 18  GLU A OE1 1 
ATOM   25   O OE2 . GLU A 1 11  ? 11.88669  -21.97274 -38.56167 1.000 60.71470  ? 18  GLU A OE2 1 
ATOM   26   N N   . THR A 1 12  ? 13.10689  -24.91509 -33.06684 1.000 40.25924  ? 19  THR A N   1 
ATOM   27   C CA  . THR A 1 12  ? 13.60101  -24.69701 -31.71450 1.000 41.61814  ? 19  THR A CA  1 
ATOM   28   C C   . THR A 1 12  ? 14.53896  -23.49730 -31.70767 1.000 43.84195  ? 19  THR A C   1 
ATOM   29   O O   . THR A 1 12  ? 15.41497  -23.38289 -32.57258 1.000 41.28198  ? 19  THR A O   1 
ATOM   30   C CB  . THR A 1 12  ? 14.32033  -25.94078 -31.18498 1.000 44.21868  ? 19  THR A CB  1 
ATOM   31   O OG1 . THR A 1 12  ? 13.41588  -27.05214 -31.17781 1.000 47.99934  ? 19  THR A OG1 1 
ATOM   32   C CG2 . THR A 1 12  ? 14.82226  -25.70518 -29.77132 1.000 39.41201  ? 19  THR A CG2 1 
ATOM   33   N N   . PHE A 1 13  ? 14.34614  -22.60519 -30.73723 1.000 38.67477  ? 20  PHE A N   1 
ATOM   34   C CA  . PHE A 1 13  ? 15.15304  -21.40422 -30.59820 1.000 41.69771  ? 20  PHE A CA  1 
ATOM   35   C C   . PHE A 1 13  ? 15.71715  -21.33697 -29.18928 1.000 45.54596  ? 20  PHE A C   1 
ATOM   36   O O   . PHE A 1 13  ? 15.13719  -21.87527 -28.24260 1.000 41.72068  ? 20  PHE A O   1 
ATOM   37   C CB  . PHE A 1 13  ? 14.34832  -20.12484 -30.86090 1.000 37.64020  ? 20  PHE A CB  1 
ATOM   38   C CG  . PHE A 1 13  ? 13.62599  -20.10723 -32.17489 1.000 40.62855  ? 20  PHE A CG  1 
ATOM   39   C CD1 . PHE A 1 13  ? 12.43536  -20.79507 -32.33715 1.000 40.33651  ? 20  PHE A CD1 1 
ATOM   40   C CD2 . PHE A 1 13  ? 14.11790  -19.37045 -33.23766 1.000 46.18461  ? 20  PHE A CD2 1 
ATOM   41   C CE1 . PHE A 1 13  ? 11.76388  -20.76979 -33.54143 1.000 43.22125  ? 20  PHE A CE1 1 
ATOM   42   C CE2 . PHE A 1 13  ? 13.44781  -19.33874 -34.44259 1.000 48.06852  ? 20  PHE A CE2 1 
ATOM   43   C CZ  . PHE A 1 13  ? 12.27134  -20.04006 -34.59567 1.000 44.14291  ? 20  PHE A CZ  1 
ATOM   44   N N   . ALA A 1 14  ? 16.84551  -20.65175 -29.05633 1.000 40.46963  ? 21  ALA A N   1 
ATOM   45   C CA  . ALA A 1 14  ? 17.41712  -20.36355 -27.75079 1.000 42.26481  ? 21  ALA A CA  1 
ATOM   46   C C   . ALA A 1 14  ? 16.96634  -18.98096 -27.29940 1.000 48.01269  ? 21  ALA A C   1 
ATOM   47   O O   . ALA A 1 14  ? 16.96749  -18.03286 -28.09231 1.000 49.01584  ? 21  ALA A O   1 
ATOM   48   C CB  . ALA A 1 14  ? 18.94369  -20.43596 -27.79575 1.000 36.43269  ? 21  ALA A CB  1 
ATOM   49   N N   . PHE A 1 15  ? 16.56421  -18.87397 -26.03455 1.000 41.85692  ? 22  PHE A N   1 
ATOM   50   C CA  . PHE A 1 15  ? 16.28291  -17.56763 -25.45729 1.000 46.03198  ? 22  PHE A CA  1 
ATOM   51   C C   . PHE A 1 15  ? 17.53477  -16.70029 -25.49188 1.000 44.56733  ? 22  PHE A C   1 
ATOM   52   O O   . PHE A 1 15  ? 18.66233  -17.20089 -25.50860 1.000 42.99904  ? 22  PHE A O   1 
ATOM   53   C CB  . PHE A 1 15  ? 15.80901  -17.70361 -24.00817 1.000 44.13841  ? 22  PHE A CB  1 
ATOM   54   C CG  . PHE A 1 15  ? 14.37060  -18.10326 -23.86352 1.000 42.33612  ? 22  PHE A CG  1 
ATOM   55   C CD1 . PHE A 1 15  ? 13.35731  -17.25038 -24.26335 1.000 45.56709  ? 22  PHE A CD1 1 
ATOM   56   C CD2 . PHE A 1 15  ? 14.03079  -19.32070 -23.29592 1.000 40.80006  ? 22  PHE A CD2 1 
ATOM   57   C CE1 . PHE A 1 15  ? 12.02958  -17.61248 -24.12197 1.000 38.70268  ? 22  PHE A CE1 1 
ATOM   58   C CE2 . PHE A 1 15  ? 12.70426  -19.68953 -23.14865 1.000 40.59515  ? 22  PHE A CE2 1 
ATOM   59   C CZ  . PHE A 1 15  ? 11.70193  -18.83191 -23.56198 1.000 39.18513  ? 22  PHE A CZ  1 
ATOM   60   N N   . GLN A 1 16  ? 17.33266  -15.38515 -25.50739 1.000 48.52973  ? 23  GLN A N   1 
ATOM   61   C CA  . GLN A 1 16  ? 18.44288  -14.48736 -25.22971 1.000 52.40169  ? 23  GLN A CA  1 
ATOM   62   C C   . GLN A 1 16  ? 18.96639  -14.76548 -23.82601 1.000 52.19849  ? 23  GLN A C   1 
ATOM   63   O O   . GLN A 1 16  ? 18.21968  -15.18234 -22.93557 1.000 51.31022  ? 23  GLN A O   1 
ATOM   64   C CB  . GLN A 1 16  ? 18.01107  -13.02486 -25.36338 1.000 57.16351  ? 23  GLN A CB  1 
ATOM   65   C CG  . GLN A 1 16  ? 18.04257  -12.49728 -26.79314 1.000 55.70369  ? 23  GLN A CG  1 
ATOM   66   C CD  . GLN A 1 16  ? 17.69659  -11.02111 -26.88648 1.000 65.09175  ? 23  GLN A CD  1 
ATOM   67   O OE1 . GLN A 1 16  ? 18.57703  -10.17345 -27.03735 1.000 67.58984  ? 23  GLN A OE1 1 
ATOM   68   N NE2 . GLN A 1 16  ? 16.41026  -10.70774 -26.79731 1.000 66.14878  ? 23  GLN A NE2 1 
ATOM   69   N N   . ALA A 1 17  ? 20.27202  -14.55294 -23.63844 1.000 55.34393  ? 24  ALA A N   1 
ATOM   70   C CA  . ALA A 1 17  ? 20.90548  -14.91018 -22.37150 1.000 52.67484  ? 24  ALA A CA  1 
ATOM   71   C C   . ALA A 1 17  ? 20.24042  -14.20583 -21.19451 1.000 56.29342  ? 24  ALA A C   1 
ATOM   72   O O   . ALA A 1 17  ? 20.07209  -14.79943 -20.12200 1.000 56.84801  ? 24  ALA A O   1 
ATOM   73   C CB  . ALA A 1 17  ? 22.39808  -14.58459 -22.41916 1.000 55.63204  ? 24  ALA A CB  1 
ATOM   74   N N   . GLU A 1 18  ? 19.83907  -12.94543 -21.38092 1.000 52.90505  ? 25  GLU A N   1 
ATOM   75   C CA  . GLU A 1 18  ? 19.21406  -12.19750 -20.29427 1.000 54.39085  ? 25  GLU A CA  1 
ATOM   76   C C   . GLU A 1 18  ? 17.84348  -12.76498 -19.94210 1.000 51.88892  ? 25  GLU A C   1 
ATOM   77   O O   . GLU A 1 18  ? 17.46495  -12.80124 -18.76536 1.000 54.21139  ? 25  GLU A O   1 
ATOM   78   C CB  . GLU A 1 18  ? 19.10280  -10.71989 -20.67030 1.000 57.84605  ? 25  GLU A CB  1 
ATOM   79   C CG  . GLU A 1 18  ? 20.44081  -10.02232 -20.86118 1.000 64.19063  ? 25  GLU A CG  1 
ATOM   80   C CD  . GLU A 1 18  ? 21.02311  -10.24651 -22.24479 1.000 75.14983  ? 25  GLU A CD  1 
ATOM   81   O OE1 . GLU A 1 18  ? 20.32537  -10.83938 -23.09614 1.000 69.26426  ? 25  GLU A OE1 1 
ATOM   82   O OE2 . GLU A 1 18  ? 22.17945  -9.83601  -22.47875 1.000 85.28304  ? 25  GLU A OE2 1 
ATOM   83   N N   . ILE A 1 19  ? 17.08449  -13.21035 -20.94516 1.000 50.77112  ? 26  ILE A N   1 
ATOM   84   C CA  . ILE A 1 19  ? 15.76039  -13.76528 -20.67930 1.000 48.27338  ? 26  ILE A CA  1 
ATOM   85   C C   . ILE A 1 19  ? 15.87177  -15.10761 -19.96973 1.000 47.55500  ? 26  ILE A C   1 
ATOM   86   O O   . ILE A 1 19  ? 15.12880  -15.38568 -19.02137 1.000 46.66728  ? 26  ILE A O   1 
ATOM   87   C CB  . ILE A 1 19  ? 14.95659  -13.88182 -21.98494 1.000 49.38580  ? 26  ILE A CB  1 
ATOM   88   C CG1 . ILE A 1 19  ? 14.75700  -12.49698 -22.60106 1.000 52.43544  ? 26  ILE A CG1 1 
ATOM   89   C CG2 . ILE A 1 19  ? 13.62217  -14.57900 -21.72983 1.000 47.34921  ? 26  ILE A CG2 1 
ATOM   90   C CD1 . ILE A 1 19  ? 13.59424  -11.75381 -22.01503 1.000 52.90815  ? 26  ILE A CD1 1 
ATOM   91   N N   . ALA A 1 20  ? 16.79189  -15.96420 -20.41861 1.000 43.28977  ? 27  ALA A N   1 
ATOM   92   C CA  . ALA A 1 20  ? 17.01778  -17.23028 -19.72904 1.000 44.70274  ? 27  ALA A CA  1 
ATOM   93   C C   . ALA A 1 20  ? 17.47442  -16.99695 -18.29602 1.000 46.16747  ? 27  ALA A C   1 
ATOM   94   O O   . ALA A 1 20  ? 17.08720  -17.73580 -17.38225 1.000 43.74070  ? 27  ALA A O   1 
ATOM   95   C CB  . ALA A 1 20  ? 18.04539  -18.06885 -20.48942 1.000 43.35956  ? 27  ALA A CB  1 
ATOM   96   N N   . GLN A 1 21  ? 18.29918  -15.96897 -18.08318 1.000 50.54091  ? 28  GLN A N   1 
ATOM   97   C CA  . GLN A 1 21  ? 18.72481  -15.61773 -16.73315 1.000 52.09259  ? 28  GLN A CA  1 
ATOM   98   C C   . GLN A 1 21  ? 17.53530  -15.21234 -15.86957 1.000 48.77629  ? 28  GLN A C   1 
ATOM   99   O O   . GLN A 1 21  ? 17.45022  -15.59619 -14.69694 1.000 51.37055  ? 28  GLN A O   1 
ATOM   100  C CB  . GLN A 1 21  ? 19.75691  -14.49090 -16.79562 1.000 56.82248  ? 28  GLN A CB  1 
ATOM   101  C CG  . GLN A 1 21  ? 20.55973  -14.28528 -15.52342 1.000 75.40281  ? 28  GLN A CG  1 
ATOM   102  C CD  . GLN A 1 21  ? 21.71964  -13.32759 -15.71986 1.000 90.06652  ? 28  GLN A CD  1 
ATOM   103  O OE1 . GLN A 1 21  ? 21.80461  -12.63511 -16.73699 1.000 77.37318  ? 28  GLN A OE1 1 
ATOM   104  N NE2 . GLN A 1 21  ? 22.61823  -13.27847 -14.74124 1.000 88.17158  ? 28  GLN A NE2 1 
ATOM   105  N N   . LEU A 1 22  ? 16.60413  -14.43751 -16.43469 1.000 45.51185  ? 29  LEU A N   1 
ATOM   106  C CA  . LEU A 1 22  ? 15.42046  -14.02898 -15.68358 1.000 47.51175  ? 29  LEU A CA  1 
ATOM   107  C C   . LEU A 1 22  ? 14.53542  -15.22033 -15.34890 1.000 49.73843  ? 29  LEU A C   1 
ATOM   108  O O   . LEU A 1 22  ? 14.01390  -15.31756 -14.23178 1.000 47.14391  ? 29  LEU A O   1 
ATOM   109  C CB  . LEU A 1 22  ? 14.62558  -12.99252 -16.47243 1.000 42.29111  ? 29  LEU A CB  1 
ATOM   110  C CG  . LEU A 1 22  ? 13.32487  -12.54420 -15.80705 1.000 47.47326  ? 29  LEU A CG  1 
ATOM   111  C CD1 . LEU A 1 22  ? 13.61659  -11.91051 -14.45670 1.000 46.46299  ? 29  LEU A CD1 1 
ATOM   112  C CD2 . LEU A 1 22  ? 12.55356  -11.58632 -16.70251 1.000 47.71397  ? 29  LEU A CD2 1 
ATOM   113  N N   . MET A 1 23  ? 14.35002  -16.13133 -16.30611 1.000 44.99812  ? 30  MET A N   1 
ATOM   114  C CA  . MET A 1 23  ? 13.49521  -17.28962 -16.07442 1.000 48.48342  ? 30  MET A CA  1 
ATOM   115  C C   . MET A 1 23  ? 14.03936  -18.14868 -14.94117 1.000 46.03231  ? 30  MET A C   1 
ATOM   116  O O   . MET A 1 23  ? 13.32531  -18.44903 -13.97793 1.000 47.39407  ? 30  MET A O   1 
ATOM   117  C CB  . MET A 1 23  ? 13.35930  -18.10055 -17.36371 1.000 43.60653  ? 30  MET A CB  1 
ATOM   118  C CG  . MET A 1 23  ? 12.44130  -17.45553 -18.39056 1.000 44.34818  ? 30  MET A CG  1 
ATOM   119  S SD  . MET A 1 23  ? 12.47188  -18.26834 -19.99620 1.000 48.43629  ? 30  MET A SD  1 
ATOM   120  C CE  . MET A 1 23  ? 11.08643  -19.38863 -19.84887 1.000 47.13270  ? 30  MET A CE  1 
ATOM   121  N N   . SER A 1 24  ? 15.31573  -18.53244 -15.02796 1.000 42.57264  ? 31  SER A N   1 
ATOM   122  C CA  . SER A 1 24  ? 15.92018  -19.33912 -13.97315 1.000 46.68659  ? 31  SER A CA  1 
ATOM   123  C C   . SER A 1 24  ? 15.85991  -18.63820 -12.62118 1.000 49.72845  ? 31  SER A C   1 
ATOM   124  O O   . SER A 1 24  ? 15.72354  -19.29965 -11.58724 1.000 50.89862  ? 31  SER A O   1 
ATOM   125  C CB  . SER A 1 24  ? 17.36659  -19.67695 -14.33446 1.000 48.53882  ? 31  SER A CB  1 
ATOM   126  O OG  . SER A 1 24  ? 18.16213  -19.80601 -13.17041 1.000 61.95768  ? 31  SER A OG  1 
ATOM   127  N N   . LEU A 1 25  ? 15.95632  -17.30721 -12.60383 1.000 44.12599  ? 32  LEU A N   1 
ATOM   128  C CA  . LEU A 1 25  ? 15.81245  -16.58025 -11.34631 1.000 47.22537  ? 32  LEU A CA  1 
ATOM   129  C C   . LEU A 1 25  ? 14.39160  -16.69268 -10.80633 1.000 46.56682  ? 32  LEU A C   1 
ATOM   130  O O   . LEU A 1 25  ? 14.18991  -16.80221 -9.59243  1.000 49.63466  ? 32  LEU A O   1 
ATOM   131  C CB  . LEU A 1 25  ? 16.20079  -15.11354 -11.53603 1.000 47.42202  ? 32  LEU A CB  1 
ATOM   132  C CG  . LEU A 1 25  ? 16.38629  -14.28723 -10.26310 1.000 54.50170  ? 32  LEU A CG  1 
ATOM   133  C CD1 . LEU A 1 25  ? 17.76453  -13.64217 -10.23263 1.000 59.76912  ? 32  LEU A CD1 1 
ATOM   134  C CD2 . LEU A 1 25  ? 15.29516  -13.23293 -10.14775 1.000 55.74495  ? 32  LEU A CD2 1 
ATOM   135  N N   . ILE A 1 26  ? 13.39419  -16.68012 -11.69233 1.000 45.94667  ? 33  ILE A N   1 
ATOM   136  C CA  . ILE A 1 26  ? 12.00816  -16.79668 -11.24950 1.000 46.46634  ? 33  ILE A CA  1 
ATOM   137  C C   . ILE A 1 26  ? 11.71695  -18.21152 -10.75772 1.000 45.85787  ? 33  ILE A C   1 
ATOM   138  O O   . ILE A 1 26  ? 11.00138  -18.40210 -9.76515  1.000 43.14327  ? 33  ILE A O   1 
ATOM   139  C CB  . ILE A 1 26  ? 11.05374  -16.37107 -12.38195 1.000 48.01994  ? 33  ILE A CB  1 
ATOM   140  C CG1 . ILE A 1 26  ? 10.98374  -14.84323 -12.47349 1.000 43.39902  ? 33  ILE A CG1 1 
ATOM   141  C CG2 . ILE A 1 26  ? 9.66422   -16.96431 -12.17948 1.000 47.16285  ? 33  ILE A CG2 1 
ATOM   142  C CD1 . ILE A 1 26  ? 10.41588  -14.33647 -13.77506 1.000 48.79794  ? 33  ILE A CD1 1 
ATOM   143  N N   . ILE A 1 27  ? 12.28461  -19.22390 -11.42141 1.000 50.88660  ? 34  ILE A N   1 
ATOM   144  C CA  . ILE A 1 27  ? 12.00810  -20.60303 -11.02776 1.000 50.14870  ? 34  ILE A CA  1 
ATOM   145  C C   . ILE A 1 27  ? 12.73723  -20.97320 -9.73772  1.000 48.66749  ? 34  ILE A C   1 
ATOM   146  O O   . ILE A 1 27  ? 12.20926  -21.74101 -8.92309  1.000 55.90110  ? 34  ILE A O   1 
ATOM   147  C CB  . ILE A 1 27  ? 12.35930  -21.57807 -12.17142 1.000 50.12273  ? 34  ILE A CB  1 
ATOM   148  C CG1 . ILE A 1 27  ? 11.56672  -21.25667 -13.44268 1.000 46.00829  ? 34  ILE A CG1 1 
ATOM   149  C CG2 . ILE A 1 27  ? 12.11783  -23.02330 -11.75493 1.000 55.30977  ? 34  ILE A CG2 1 
ATOM   150  C CD1 . ILE A 1 27  ? 12.39856  -21.32274 -14.70247 1.000 43.42544  ? 34  ILE A CD1 1 
ATOM   151  N N   . ASN A 1 28  ? 13.93871  -20.43251 -9.51103  1.000 48.75112  ? 35  ASN A N   1 
ATOM   152  C CA  . ASN A 1 28  ? 14.77866  -20.88744 -8.40616  1.000 52.35651  ? 35  ASN A CA  1 
ATOM   153  C C   . ASN A 1 28  ? 14.66127  -20.05265 -7.13409  1.000 52.33525  ? 35  ASN A C   1 
ATOM   154  O O   . ASN A 1 28  ? 14.94715  -20.57446 -6.05049  1.000 54.46494  ? 35  ASN A O   1 
ATOM   155  C CB  . ASN A 1 28  ? 16.25234  -20.92512 -8.83691  1.000 52.65152  ? 35  ASN A CB  1 
ATOM   156  C CG  . ASN A 1 28  ? 16.47564  -21.76209 -10.08115 1.000 57.69644  ? 35  ASN A CG  1 
ATOM   157  O OD1 . ASN A 1 28  ? 15.80053  -22.76901 -10.29221 1.000 58.37565  ? 35  ASN A OD1 1 
ATOM   158  N ND2 . ASN A 1 28  ? 17.42638  -21.34902 -10.91267 1.000 60.33928  ? 35  ASN A ND2 1 
ATOM   159  N N   . THR A 1 29  ? 14.25670  -18.78689 -7.22532  1.000 48.39322  ? 36  THR A N   1 
ATOM   160  C CA  . THR A 1 29  ? 14.20868  -17.92253 -6.05092  1.000 54.45859  ? 36  THR A CA  1 
ATOM   161  C C   . THR A 1 29  ? 13.01682  -18.28294 -5.17092  1.000 52.08938  ? 36  THR A C   1 
ATOM   162  O O   . THR A 1 29  ? 11.90438  -18.48612 -5.66839  1.000 54.36339  ? 36  THR A O   1 
ATOM   163  C CB  . THR A 1 29  ? 14.12815  -16.45350 -6.46697  1.000 51.64525  ? 36  THR A CB  1 
ATOM   164  O OG1 . THR A 1 29  ? 15.24869  -16.13096 -7.29715  1.000 51.72323  ? 36  THR A OG1 1 
ATOM   165  C CG2 . THR A 1 29  ? 14.14916  -15.54889 -5.24459  1.000 49.51351  ? 36  THR A CG2 1 
ATOM   166  N N   . PHE A 1 30  ? 13.25103  -18.36471 -3.86213  1.000 46.70567  ? 37  PHE A N   1 
ATOM   167  C CA  . PHE A 1 30  ? 12.17414  -18.66049 -2.92550  1.000 47.45292  ? 37  PHE A CA  1 
ATOM   168  C C   . PHE A 1 30  ? 11.29066  -17.43061 -2.75317  1.000 50.67324  ? 37  PHE A C   1 
ATOM   169  O O   . PHE A 1 30  ? 11.75645  -16.37842 -2.30291  1.000 46.77626  ? 37  PHE A O   1 
ATOM   170  C CB  . PHE A 1 30  ? 12.73871  -19.10814 -1.57989  1.000 54.55968  ? 37  PHE A CB  1 
ATOM   171  C CG  . PHE A 1 30  ? 11.68515  -19.37417 -0.54259  1.000 51.64421  ? 37  PHE A CG  1 
ATOM   172  C CD1 . PHE A 1 30  ? 10.92336  -20.52878 -0.59559  1.000 51.64330  ? 37  PHE A CD1 1 
ATOM   173  C CD2 . PHE A 1 30  ? 11.45760  -18.47476 0.48619   1.000 49.31735  ? 37  PHE A CD2 1 
ATOM   174  C CE1 . PHE A 1 30  ? 9.95217   -20.77935 0.35478   1.000 52.90532  ? 37  PHE A CE1 1 
ATOM   175  C CE2 . PHE A 1 30  ? 10.48749  -18.72329 1.44120   1.000 54.57710  ? 37  PHE A CE2 1 
ATOM   176  C CZ  . PHE A 1 30  ? 9.73607   -19.87617 1.37445   1.000 54.37843  ? 37  PHE A CZ  1 
ATOM   177  N N   . TYR A 1 31  ? 10.01369  -17.56782 -3.09969  1.000 50.07217  ? 38  TYR A N   1 
ATOM   178  C CA  . TYR A 1 31  ? 9.07821   -16.44725 -3.06029  1.000 48.51240  ? 38  TYR A CA  1 
ATOM   179  C C   . TYR A 1 31  ? 7.67123   -17.01677 -2.99555  1.000 48.37934  ? 38  TYR A C   1 
ATOM   180  O O   . TYR A 1 31  ? 7.26852   -17.76551 -3.89155  1.000 46.73355  ? 38  TYR A O   1 
ATOM   181  C CB  . TYR A 1 31  ? 9.25485   -15.55486 -4.28696  1.000 48.54197  ? 38  TYR A CB  1 
ATOM   182  C CG  . TYR A 1 31  ? 8.33058   -14.36194 -4.31632  1.000 50.48172  ? 38  TYR A CG  1 
ATOM   183  C CD1 . TYR A 1 31  ? 7.32285   -14.26739 -5.26457  1.000 49.70985  ? 38  TYR A CD1 1 
ATOM   184  C CD2 . TYR A 1 31  ? 8.47378   -13.32227 -3.40547  1.000 50.44076  ? 38  TYR A CD2 1 
ATOM   185  C CE1 . TYR A 1 31  ? 6.47444   -13.18119 -5.29809  1.000 52.67790  ? 38  TYR A CE1 1 
ATOM   186  C CE2 . TYR A 1 31  ? 7.63022   -12.22946 -3.43341  1.000 56.88599  ? 38  TYR A CE2 1 
ATOM   187  C CZ  . TYR A 1 31  ? 6.63322   -12.16411 -4.38083  1.000 60.30132  ? 38  TYR A CZ  1 
ATOM   188  O OH  . TYR A 1 31  ? 5.79121   -11.07697 -4.41116  1.000 66.17961  ? 38  TYR A OH  1 
ATOM   189  N N   . SER A 1 32  ? 6.92453   -16.66038 -1.94939  1.000 46.44310  ? 39  SER A N   1 
ATOM   190  C CA  . SER A 1 32  ? 5.65321   -17.31181 -1.65761  1.000 48.26286  ? 39  SER A CA  1 
ATOM   191  C C   . SER A 1 32  ? 4.44972   -16.63856 -2.30478  1.000 46.88985  ? 39  SER A C   1 
ATOM   192  O O   . SER A 1 32  ? 3.41525   -17.29295 -2.47750  1.000 46.80067  ? 39  SER A O   1 
ATOM   193  C CB  . SER A 1 32  ? 5.43263   -17.37689 -0.14258  1.000 47.54301  ? 39  SER A CB  1 
ATOM   194  O OG  . SER A 1 32  ? 6.41392   -18.19204 0.47632   1.000 48.76509  ? 39  SER A OG  1 
ATOM   195  N N   . ASN A 1 33  ? 4.54599   -15.35747 -2.65984  1.000 45.55257  ? 40  ASN A N   1 
ATOM   196  C CA  . ASN A 1 33  ? 3.41399   -14.63178 -3.23660  1.000 47.51499  ? 40  ASN A CA  1 
ATOM   197  C C   . ASN A 1 33  ? 3.30793   -14.91027 -4.73982  1.000 48.48564  ? 40  ASN A C   1 
ATOM   198  O O   . ASN A 1 33  ? 3.44718   -14.02898 -5.58742  1.000 45.46112  ? 40  ASN A O   1 
ATOM   199  C CB  . ASN A 1 33  ? 3.54906   -13.14271 -2.94614  1.000 48.25095  ? 40  ASN A CB  1 
ATOM   200  C CG  . ASN A 1 33  ? 2.29018   -12.36670 -3.27571  1.000 50.04027  ? 40  ASN A CG  1 
ATOM   201  O OD1 . ASN A 1 33  ? 1.17536   -12.84089 -3.04983  1.000 54.17190  ? 40  ASN A OD1 1 
ATOM   202  N ND2 . ASN A 1 33  ? 2.46207   -11.16033 -3.80149  1.000 46.81955  ? 40  ASN A ND2 1 
ATOM   203  N N   . LYS A 1 34  ? 3.03674   -16.17933 -5.05750  1.000 43.65399  ? 41  LYS A N   1 
ATOM   204  C CA  . LYS A 1 34  ? 3.01434   -16.62550 -6.44621  1.000 44.41438  ? 41  LYS A CA  1 
ATOM   205  C C   . LYS A 1 34  ? 1.75431   -16.19456 -7.18878  1.000 43.89700  ? 41  LYS A C   1 
ATOM   206  O O   . LYS A 1 34  ? 1.73978   -16.22937 -8.42431  1.000 39.00991  ? 41  LYS A O   1 
ATOM   207  C CB  . LYS A 1 34  ? 3.14079   -18.14767 -6.50646  1.000 45.56769  ? 41  LYS A CB  1 
ATOM   208  C CG  . LYS A 1 34  ? 4.52021   -18.68124 -6.15503  1.000 43.94600  ? 41  LYS A CG  1 
ATOM   209  C CD  . LYS A 1 34  ? 4.51933   -20.20030 -6.15254  1.000 46.77510  ? 41  LYS A CD  1 
ATOM   210  C CE  . LYS A 1 34  ? 5.82859   -20.76082 -5.61988  1.000 47.88734  ? 41  LYS A CE  1 
ATOM   211  N NZ  . LYS A 1 34  ? 6.95641   -20.53598 -6.56154  1.000 49.57773  ? 41  LYS A NZ  1 
ATOM   212  N N   . GLU A 1 35  ? 0.70624   -15.77860 -6.47075  1.000 39.89601  ? 42  GLU A N   1 
ATOM   213  C CA  . GLU A 1 35  ? -0.58267  -15.50513 -7.10052  1.000 41.14634  ? 42  GLU A CA  1 
ATOM   214  C C   . GLU A 1 35  ? -0.52798  -14.34663 -8.08954  1.000 42.09045  ? 42  GLU A C   1 
ATOM   215  O O   . GLU A 1 35  ? -1.44839  -14.19987 -8.90238  1.000 37.34377  ? 42  GLU A O   1 
ATOM   216  C CB  . GLU A 1 35  ? -1.63520  -15.21264 -6.03069  1.000 40.05754  ? 42  GLU A CB  1 
ATOM   217  C CG  . GLU A 1 35  ? -1.37129  -13.94007 -5.24352  1.000 46.95476  ? 42  GLU A CG  1 
ATOM   218  C CD  . GLU A 1 35  ? -2.32881  -13.75785 -4.08234  1.000 50.33683  ? 42  GLU A CD  1 
ATOM   219  O OE1 . GLU A 1 35  ? -2.59950  -14.74912 -3.37396  1.000 47.91536  ? 42  GLU A OE1 1 
ATOM   220  O OE2 . GLU A 1 35  ? -2.80801  -12.62211 -3.87744  1.000 62.35829  ? 42  GLU A OE2 1 
ATOM   221  N N   . ILE A 1 36  ? 0.52408   -13.52438 -8.04365  1.000 39.71357  ? 43  ILE A N   1 
ATOM   222  C CA  . ILE A 1 36  ? 0.60418   -12.34256 -8.89709  1.000 39.63788  ? 43  ILE A CA  1 
ATOM   223  C C   . ILE A 1 36  ? 0.76763   -12.66884 -10.37401 1.000 43.45312  ? 43  ILE A C   1 
ATOM   224  O O   . ILE A 1 36  ? 0.71149   -11.75486 -11.20598 1.000 42.38627  ? 43  ILE A O   1 
ATOM   225  C CB  . ILE A 1 36  ? 1.75397   -11.42408 -8.43354  1.000 40.44038  ? 43  ILE A CB  1 
ATOM   226  C CG1 . ILE A 1 36  ? 3.11423   -12.08366 -8.67823  1.000 42.46135  ? 43  ILE A CG1 1 
ATOM   227  C CG2 . ILE A 1 36  ? 1.57608   -11.05609 -6.96913  1.000 51.03893  ? 43  ILE A CG2 1 
ATOM   228  C CD1 . ILE A 1 36  ? 3.89823   -11.47640 -9.82765  1.000 50.30746  ? 43  ILE A CD1 1 
ATOM   229  N N   . PHE A 1 37  ? 0.96965   -13.94146 -10.72639 1.000 39.52711  ? 44  PHE A N   1 
ATOM   230  C CA  . PHE A 1 37  ? 1.06871   -14.30721 -12.13647 1.000 38.03536  ? 44  PHE A CA  1 
ATOM   231  C C   . PHE A 1 37  ? -0.23055  -14.00544 -12.87152 1.000 38.46136  ? 44  PHE A C   1 
ATOM   232  O O   . PHE A 1 37  ? -0.21380  -13.59040 -14.03683 1.000 38.44331  ? 44  PHE A O   1 
ATOM   233  C CB  . PHE A 1 37  ? 1.43311   -15.78906 -12.27527 1.000 37.67494  ? 44  PHE A CB  1 
ATOM   234  C CG  . PHE A 1 37  ? 0.27191   -16.72351 -12.05300 1.000 36.22718  ? 44  PHE A CG  1 
ATOM   235  C CD1 . PHE A 1 37  ? -0.09433  -17.10786 -10.77215 1.000 37.85512  ? 44  PHE A CD1 1 
ATOM   236  C CD2 . PHE A 1 37  ? -0.46886  -17.19689 -13.12307 1.000 34.76075  ? 44  PHE A CD2 1 
ATOM   237  C CE1 . PHE A 1 37  ? -1.16941  -17.95544 -10.56455 1.000 36.55883  ? 44  PHE A CE1 1 
ATOM   238  C CE2 . PHE A 1 37  ? -1.54691  -18.04335 -12.92016 1.000 35.24218  ? 44  PHE A CE2 1 
ATOM   239  C CZ  . PHE A 1 37  ? -1.89410  -18.42525 -11.64235 1.000 36.61378  ? 44  PHE A CZ  1 
ATOM   240  N N   . LEU A 1 38  ? -1.36898  -14.20543 -12.20172 1.000 37.93395  ? 45  LEU A N   1 
ATOM   241  C CA  . LEU A 1 38  ? -2.65878  -14.00221 -12.85086 1.000 44.00364  ? 45  LEU A CA  1 
ATOM   242  C C   . LEU A 1 38  ? -2.90630  -12.53210 -13.15531 1.000 36.55013  ? 45  LEU A C   1 
ATOM   243  O O   . LEU A 1 38  ? -3.53085  -12.20685 -14.17073 1.000 42.94680  ? 45  LEU A O   1 
ATOM   244  C CB  . LEU A 1 38  ? -3.78090  -14.56130 -11.97628 1.000 35.18372  ? 45  LEU A CB  1 
ATOM   245  C CG  . LEU A 1 38  ? -5.13858  -14.67285 -12.66827 1.000 38.86742  ? 45  LEU A CG  1 
ATOM   246  C CD1 . LEU A 1 38  ? -5.04450  -15.62460 -13.85097 1.000 38.14371  ? 45  LEU A CD1 1 
ATOM   247  C CD2 . LEU A 1 38  ? -6.21099  -15.12294 -11.68696 1.000 35.82077  ? 45  LEU A CD2 1 
ATOM   248  N N   . ARG A 1 39  ? -2.43139  -11.63491 -12.29168 1.000 38.60006  ? 46  ARG A N   1 
ATOM   249  C CA  . ARG A 1 39  ? -2.58394  -10.20969 -12.55505 1.000 41.54817  ? 46  ARG A CA  1 
ATOM   250  C C   . ARG A 1 39  ? -1.79449  -9.79429  -13.78934 1.000 42.30682  ? 46  ARG A C   1 
ATOM   251  O O   . ARG A 1 39  ? -2.26444  -8.97442  -14.58514 1.000 40.50429  ? 46  ARG A O   1 
ATOM   252  C CB  . ARG A 1 39  ? -2.14416  -9.39912  -11.33509 1.000 43.33201  ? 46  ARG A CB  1 
ATOM   253  C CG  . ARG A 1 39  ? -2.15696  -7.89505  -11.55499 1.000 49.54483  ? 46  ARG A CG  1 
ATOM   254  C CD  . ARG A 1 39  ? -1.50084  -7.16392  -10.39826 1.000 49.70032  ? 46  ARG A CD  1 
ATOM   255  N NE  . ARG A 1 39  ? -0.09989  -7.53416  -10.23785 1.000 56.43826  ? 46  ARG A NE  1 
ATOM   256  C CZ  . ARG A 1 39  ? 0.56535   -7.46890  -9.09187  1.000 60.89426  ? 46  ARG A CZ  1 
ATOM   257  N NH1 . ARG A 1 39  ? -0.01735  -7.06147  -7.97499  1.000 53.74583  ? 46  ARG A NH1 1 
ATOM   258  N NH2 . ARG A 1 39  ? 1.84751   -7.82141  -9.06492  1.000 56.98657  ? 46  ARG A NH2 1 
ATOM   259  N N   . GLU A 1 40  ? -0.60322  -10.36752 -13.97773 1.000 38.66047  ? 47  GLU A N   1 
ATOM   260  C CA  . GLU A 1 40  ? 0.23514   -9.98264  -15.10831 1.000 40.22229  ? 47  GLU A CA  1 
ATOM   261  C C   . GLU A 1 40  ? -0.33299  -10.49656 -16.42434 1.000 39.03766  ? 47  GLU A C   1 
ATOM   262  O O   . GLU A 1 40  ? -0.31678  -9.78166  -17.43390 1.000 37.72078  ? 47  GLU A O   1 
ATOM   263  C CB  . GLU A 1 40  ? 1.65951   -10.49827 -14.90087 1.000 39.17515  ? 47  GLU A CB  1 
ATOM   264  C CG  . GLU A 1 40  ? 2.32577   -9.99860  -13.62638 1.000 45.87355  ? 47  GLU A CG  1 
ATOM   265  C CD  . GLU A 1 40  ? 2.30365   -8.48173  -13.49584 1.000 54.41277  ? 47  GLU A CD  1 
ATOM   266  O OE1 . GLU A 1 40  ? 2.18704   -7.98825  -12.35371 1.000 53.92160  ? 47  GLU A OE1 1 
ATOM   267  O OE2 . GLU A 1 40  ? 2.42174   -7.78192  -14.52578 1.000 48.15703  ? 47  GLU A OE2 1 
ATOM   268  N N   . LEU A 1 41  ? -0.83066  -11.73527 -16.43604 1.000 36.64480  ? 48  LEU A N   1 
ATOM   269  C CA  . LEU A 1 41  ? -1.38204  -12.29924 -17.66373 1.000 41.28651  ? 48  LEU A CA  1 
ATOM   270  C C   . LEU A 1 41  ? -2.66339  -11.58175 -18.06881 1.000 39.12738  ? 48  LEU A C   1 
ATOM   271  O O   . LEU A 1 41  ? -2.84986  -11.23691 -19.24185 1.000 36.11921  ? 48  LEU A O   1 
ATOM   272  C CB  . LEU A 1 41  ? -1.62752  -13.79734 -17.48539 1.000 37.08744  ? 48  LEU A CB  1 
ATOM   273  C CG  . LEU A 1 41  ? -0.37917  -14.63941 -17.20498 1.000 37.92279  ? 48  LEU A CG  1 
ATOM   274  C CD1 . LEU A 1 41  ? -0.73333  -16.10785 -17.05383 1.000 32.86523  ? 48  LEU A CD1 1 
ATOM   275  C CD2 . LEU A 1 41  ? 0.65951   -14.44527 -18.30100 1.000 36.57224  ? 48  LEU A CD2 1 
ATOM   276  N N   . ILE A 1 42  ? -3.56114  -11.35179 -17.10800 1.000 37.21977  ? 49  ILE A N   1 
ATOM   277  C CA  . ILE A 1 42  ? -4.77246  -10.58634 -17.38877 1.000 41.76712  ? 49  ILE A CA  1 
ATOM   278  C C   . ILE A 1 42  ? -4.41450  -9.18358  -17.86400 1.000 43.62807  ? 49  ILE A C   1 
ATOM   279  O O   . ILE A 1 42  ? -5.02438  -8.65463  -18.80192 1.000 38.79791  ? 49  ILE A O   1 
ATOM   280  C CB  . ILE A 1 42  ? -5.68350  -10.55112 -16.14686 1.000 40.32390  ? 49  ILE A CB  1 
ATOM   281  C CG1 . ILE A 1 42  ? -6.33103  -11.91982 -15.91405 1.000 44.20579  ? 49  ILE A CG1 1 
ATOM   282  C CG2 . ILE A 1 42  ? -6.74247  -9.46381  -16.28343 1.000 39.37917  ? 49  ILE A CG2 1 
ATOM   283  C CD1 . ILE A 1 42  ? -6.97777  -12.06189 -14.55153 1.000 35.11455  ? 49  ILE A CD1 1 
ATOM   284  N N   . SER A 1 43  ? -3.40880  -8.56549  -17.23693 1.000 41.07422  ? 50  SER A N   1 
ATOM   285  C CA  . SER A 1 43  ? -2.96759  -7.24261  -17.67037 1.000 41.06714  ? 50  SER A CA  1 
ATOM   286  C C   . SER A 1 43  ? -2.43278  -7.27849  -19.09638 1.000 38.45587  ? 50  SER A C   1 
ATOM   287  O O   . SER A 1 43  ? -2.66065  -6.34545  -19.87547 1.000 39.82704  ? 50  SER A O   1 
ATOM   288  C CB  . SER A 1 43  ? -1.90507  -6.69950  -16.71380 1.000 39.77021  ? 50  SER A CB  1 
ATOM   289  O OG  . SER A 1 43  ? -1.20359  -5.61314  -17.29147 1.000 51.18917  ? 50  SER A OG  1 
ATOM   290  N N   . ASN A 1 44  ? -1.71437  -8.34655  -19.45460 1.000 39.89977  ? 51  ASN A N   1 
ATOM   291  C CA  . ASN A 1 44  ? -1.25284  -8.49549  -20.83092 1.000 41.21381  ? 51  ASN A CA  1 
ATOM   292  C C   . ASN A 1 44  ? -2.42861  -8.61412  -21.79013 1.000 40.91950  ? 51  ASN A C   1 
ATOM   293  O O   . ASN A 1 44  ? -2.44076  -7.98044  -22.85185 1.000 38.02484  ? 51  ASN A O   1 
ATOM   294  C CB  . ASN A 1 44  ? -0.34230  -9.71686  -20.95569 1.000 37.26122  ? 51  ASN A CB  1 
ATOM   295  C CG  . ASN A 1 44  ? 1.08013   -9.43319  -20.52063 1.000 41.91809  ? 51  ASN A CG  1 
ATOM   296  O OD1 . ASN A 1 44  ? 1.41192   -8.31369  -20.13006 1.000 42.45643  ? 51  ASN A OD1 1 
ATOM   297  N ND2 . ASN A 1 44  ? 1.93353   -10.45051 -20.59165 1.000 38.84792  ? 51  ASN A ND2 1 
ATOM   298  N N   . SER A 1 45  ? -3.43076  -9.41862  -21.42719 1.000 40.10419  ? 52  SER A N   1 
ATOM   299  C CA  . SER A 1 45  ? -4.61101  -9.57070  -22.27104 1.000 38.97705  ? 52  SER A CA  1 
ATOM   300  C C   . SER A 1 45  ? -5.36128  -8.25347  -22.41043 1.000 41.57801  ? 52  SER A C   1 
ATOM   301  O O   . SER A 1 45  ? -5.89202  -7.94275  -23.48337 1.000 39.79850  ? 52  SER A O   1 
ATOM   302  C CB  . SER A 1 45  ? -5.52428  -10.65442 -21.69643 1.000 38.73260  ? 52  SER A CB  1 
ATOM   303  O OG  . SER A 1 45  ? -4.88168  -11.91787 -21.71367 1.000 38.81856  ? 52  SER A OG  1 
ATOM   304  N N   . SER A 1 46  ? -5.40399  -7.45984  -21.33753 1.000 42.14761  ? 53  SER A N   1 
ATOM   305  C CA  . SER A 1 46  ? -6.10643  -6.18223  -21.38602 1.000 41.92330  ? 53  SER A CA  1 
ATOM   306  C C   . SER A 1 46  ? -5.43010  -5.21423  -22.34871 1.000 42.90995  ? 53  SER A C   1 
ATOM   307  O O   . SER A 1 46  ? -6.10454  -4.41492  -23.00999 1.000 40.69776  ? 53  SER A O   1 
ATOM   308  C CB  . SER A 1 46  ? -6.18810  -5.57748  -19.98467 1.000 40.11614  ? 53  SER A CB  1 
ATOM   309  O OG  . SER A 1 46  ? -6.81137  -4.30680  -20.01951 1.000 43.13214  ? 53  SER A OG  1 
ATOM   310  N N   . ASP A 1 47  ? -4.09816  -5.26696  -22.43611 1.000 41.24906  ? 54  ASP A N   1 
ATOM   311  C CA  . ASP A 1 47  ? -3.38252  -4.39399  -23.36049 1.000 42.12895  ? 54  ASP A CA  1 
ATOM   312  C C   . ASP A 1 47  ? -3.61133  -4.81662  -24.80552 1.000 44.65804  ? 54  ASP A C   1 
ATOM   313  O O   . ASP A 1 47  ? -3.73465  -3.96688  -25.69493 1.000 40.71369  ? 54  ASP A O   1 
ATOM   314  C CB  . ASP A 1 47  ? -1.88944  -4.39473  -23.03818 1.000 43.69853  ? 54  ASP A CB  1 
ATOM   315  C CG  . ASP A 1 47  ? -1.57679  -3.71072  -21.72951 1.000 48.89883  ? 54  ASP A CG  1 
ATOM   316  O OD1 . ASP A 1 47  ? -2.35764  -2.82825  -21.31287 1.000 57.90012  ? 54  ASP A OD1 1 
ATOM   317  O OD2 . ASP A 1 47  ? -0.54620  -4.05807  -21.11647 1.000 51.19407  ? 54  ASP A OD2 1 
ATOM   318  N N   . ALA A 1 48  ? -3.66512  -6.12566  -25.06005 1.000 40.00101  ? 55  ALA A N   1 
ATOM   319  C CA  . ALA A 1 48  ? -3.92029  -6.60676  -26.41369 1.000 42.58654  ? 55  ALA A CA  1 
ATOM   320  C C   . ALA A 1 48  ? -5.32607  -6.24005  -26.87104 1.000 40.80811  ? 55  ALA A C   1 
ATOM   321  O O   . ALA A 1 48  ? -5.54194  -5.91605  -28.04505 1.000 43.03547  ? 55  ALA A O   1 
ATOM   322  C CB  . ALA A 1 48  ? -3.70740  -8.11892  -26.47916 1.000 36.35266  ? 55  ALA A CB  1 
ATOM   323  N N   . LEU A 1 49  ? -6.29566  -6.28162  -25.95588 1.000 37.32070  ? 56  LEU A N   1 
ATOM   324  C CA  . LEU A 1 49  ? -7.65461  -5.88005  -26.30336 1.000 41.31959  ? 56  LEU A CA  1 
ATOM   325  C C   . LEU A 1 49  ? -7.74410  -4.37695  -26.54058 1.000 41.92125  ? 56  LEU A C   1 
ATOM   326  O O   . LEU A 1 49  ? -8.51470  -3.92355  -27.39477 1.000 41.30932  ? 56  LEU A O   1 
ATOM   327  C CB  . LEU A 1 49  ? -8.62351  -6.31398  -25.20538 1.000 42.54121  ? 56  LEU A CB  1 
ATOM   328  C CG  . LEU A 1 49  ? -8.88588  -7.81946  -25.13572 1.000 43.93264  ? 56  LEU A CG  1 
ATOM   329  C CD1 . LEU A 1 49  ? -9.39827  -8.21580  -23.75988 1.000 38.45468  ? 56  LEU A CD1 1 
ATOM   330  C CD2 . LEU A 1 49  ? -9.86572  -8.24163  -26.21682 1.000 36.91601  ? 56  LEU A CD2 1 
ATOM   331  N N   . ASP A 1 50  ? -6.96525  -3.58816  -25.79404 1.000 42.00821  ? 57  ASP A N   1 
ATOM   332  C CA  . ASP A 1 50  ? -6.91357  -2.14842  -26.03786 1.000 42.09082  ? 57  ASP A CA  1 
ATOM   333  C C   . ASP A 1 50  ? -6.38861  -1.84802  -27.43683 1.000 41.26586  ? 57  ASP A C   1 
ATOM   334  O O   . ASP A 1 50  ? -6.93843  -1.00229  -28.15237 1.000 40.60068  ? 57  ASP A O   1 
ATOM   335  C CB  . ASP A 1 50  ? -6.03779  -1.46117  -24.98538 1.000 38.73683  ? 57  ASP A CB  1 
ATOM   336  C CG  . ASP A 1 50  ? -6.69702  -1.40005  -23.62440 1.000 43.05350  ? 57  ASP A CG  1 
ATOM   337  O OD1 . ASP A 1 50  ? -7.91831  -1.64616  -23.54501 1.000 48.91902  ? 57  ASP A OD1 1 
ATOM   338  O OD2 . ASP A 1 50  ? -5.99392  -1.11247  -22.63161 1.000 45.46436  ? 57  ASP A OD2 1 
ATOM   339  N N   . LYS A 1 51  ? -5.32423  -2.54278  -27.84617 1.000 39.84247  ? 58  LYS A N   1 
ATOM   340  C CA  . LYS A 1 51  ? -4.66902  -2.21982  -29.10866 1.000 46.42484  ? 58  LYS A CA  1 
ATOM   341  C C   . LYS A 1 51  ? -5.56535  -2.52728  -30.30117 1.000 48.00737  ? 58  LYS A C   1 
ATOM   342  O O   . LYS A 1 51  ? -5.61094  -1.75398  -31.26536 1.000 50.51203  ? 58  LYS A O   1 
ATOM   343  C CB  . LYS A 1 51  ? -3.34643  -2.97609  -29.22184 1.000 46.26008  ? 58  LYS A CB  1 
ATOM   344  C CG  . LYS A 1 51  ? -2.45667  -2.46417  -30.34301 1.000 59.56283  ? 58  LYS A CG  1 
ATOM   345  C CD  . LYS A 1 51  ? -0.98981  -2.76715  -30.08588 1.000 66.01259  ? 58  LYS A CD  1 
ATOM   346  C CE  . LYS A 1 51  ? -0.14767  -2.42149  -31.30328 1.000 64.91657  ? 58  LYS A CE  1 
ATOM   347  N NZ  . LYS A 1 51  ? 1.12012   -3.19753  -31.36022 1.000 77.50076  ? 58  LYS A NZ  1 
ATOM   348  N N   . ILE A 1 52  ? -6.28165  -3.65359  -30.26148 1.000 45.75237  ? 59  ILE A N   1 
ATOM   349  C CA  . ILE A 1 52  ? -7.15771  -3.98932  -31.37957 1.000 46.90757  ? 59  ILE A CA  1 
ATOM   350  C C   . ILE A 1 52  ? -8.38478  -3.08444  -31.39405 1.000 47.13265  ? 59  ILE A C   1 
ATOM   351  O O   . ILE A 1 52  ? -8.94192  -2.80050  -32.46197 1.000 49.74157  ? 59  ILE A O   1 
ATOM   352  C CB  . ILE A 1 52  ? -7.54369  -5.48161  -31.33833 1.000 46.32537  ? 59  ILE A CB  1 
ATOM   353  C CG1 . ILE A 1 52  ? -8.24295  -5.88542  -32.63991 1.000 48.85339  ? 59  ILE A CG1 1 
ATOM   354  C CG2 . ILE A 1 52  ? -8.41749  -5.79080  -30.12303 1.000 40.75140  ? 59  ILE A CG2 1 
ATOM   355  C CD1 . ILE A 1 52  ? -7.49876  -5.44828  -33.89044 1.000 50.23522  ? 59  ILE A CD1 1 
ATOM   356  N N   . ARG A 1 53  ? -8.81556  -2.59922  -30.22613 1.000 46.43922  ? 60  ARG A N   1 
ATOM   357  C CA  . ARG A 1 53  ? -9.95125  -1.68276  -30.18453 1.000 47.77030  ? 60  ARG A CA  1 
ATOM   358  C C   . ARG A 1 53  ? -9.58826  -0.32864  -30.78059 1.000 49.10955  ? 60  ARG A C   1 
ATOM   359  O O   . ARG A 1 53  ? -10.39990 0.28486   -31.48491 1.000 48.77766  ? 60  ARG A O   1 
ATOM   360  C CB  . ARG A 1 53  ? -10.44537 -1.52067  -28.74760 1.000 43.21215  ? 60  ARG A CB  1 
ATOM   361  C CG  . ARG A 1 53  ? -11.71093 -0.69041  -28.62312 1.000 47.95982  ? 60  ARG A CG  1 
ATOM   362  C CD  . ARG A 1 53  ? -12.40753 -0.93319  -27.29250 1.000 55.92258  ? 60  ARG A CD  1 
ATOM   363  N NE  . ARG A 1 53  ? -13.22330 0.20702   -26.89082 1.000 67.36348  ? 60  ARG A NE  1 
ATOM   364  C CZ  . ARG A 1 53  ? -13.04591 0.90189   -25.77496 1.000 69.62034  ? 60  ARG A CZ  1 
ATOM   365  N NH1 . ARG A 1 53  ? -12.09315 0.59247   -24.91064 1.000 64.89650  ? 60  ARG A NH1 1 
ATOM   366  N NH2 . ARG A 1 53  ? -13.84599 1.93254   -25.51848 1.000 73.79124  ? 60  ARG A NH2 1 
ATOM   367  N N   . TYR A 1 54  ? -8.37293  0.15251   -30.50926 1.000 45.65268  ? 61  TYR A N   1 
ATOM   368  C CA  . TYR A 1 54  ? -7.93403  1.42710   -31.06900 1.000 52.13430  ? 61  TYR A CA  1 
ATOM   369  C C   . TYR A 1 54  ? -7.75515  1.33181   -32.58034 1.000 50.86386  ? 61  TYR A C   1 
ATOM   370  O O   . TYR A 1 54  ? -8.22457  2.19963   -33.32816 1.000 50.12952  ? 61  TYR A O   1 
ATOM   371  C CB  . TYR A 1 54  ? -6.63579  1.87175   -30.39083 1.000 47.85043  ? 61  TYR A CB  1 
ATOM   372  C CG  . TYR A 1 54  ? -5.95661  3.06302   -31.04060 1.000 57.54835  ? 61  TYR A CG  1 
ATOM   373  C CD1 . TYR A 1 54  ? -5.01682  2.89195   -32.05205 1.000 58.16375  ? 61  TYR A CD1 1 
ATOM   374  C CD2 . TYR A 1 54  ? -6.25895  4.35900   -30.64352 1.000 55.72854  ? 61  TYR A CD2 1 
ATOM   375  C CE1 . TYR A 1 54  ? -4.39593  3.97903   -32.64186 1.000 63.10186  ? 61  TYR A CE1 1 
ATOM   376  C CE2 . TYR A 1 54  ? -5.64622  5.44858   -31.22694 1.000 50.99882  ? 61  TYR A CE2 1 
ATOM   377  C CZ  . TYR A 1 54  ? -4.71588  5.25541   -32.22491 1.000 64.94285  ? 61  TYR A CZ  1 
ATOM   378  O OH  . TYR A 1 54  ? -4.10653  6.34546   -32.80638 1.000 67.68650  ? 61  TYR A OH  1 
ATOM   379  N N   . GLU A 1 55  ? -7.06898  0.28338   -33.04713 1.000 49.41823  ? 62  GLU A N   1 
ATOM   380  C CA  . GLU A 1 55  ? -6.83862  0.12692   -34.48011 1.000 51.60223  ? 62  GLU A CA  1 
ATOM   381  C C   . GLU A 1 55  ? -8.14549  0.00671   -35.25091 1.000 54.66068  ? 62  GLU A C   1 
ATOM   382  O O   . GLU A 1 55  ? -8.23418  0.45793   -36.39961 1.000 53.52695  ? 62  GLU A O   1 
ATOM   383  C CB  . GLU A 1 55  ? -5.96230  -1.09596  -34.74391 1.000 51.16851  ? 62  GLU A CB  1 
ATOM   384  C CG  . GLU A 1 55  ? -4.49122  -0.88651  -34.43117 1.000 55.02320  ? 62  GLU A CG  1 
ATOM   385  C CD  . GLU A 1 55  ? -3.62401  -1.98492  -35.01267 1.000 64.38381  ? 62  GLU A CD  1 
ATOM   386  O OE1 . GLU A 1 55  ? -4.08656  -2.67446  -35.94968 1.000 63.39215  ? 62  GLU A OE1 1 
ATOM   387  O OE2 . GLU A 1 55  ? -2.47993  -2.15768  -34.53987 1.000 63.64257  ? 62  GLU A OE2 1 
ATOM   388  N N   . SER A 1 56  ? -9.16847  -0.59304  -34.63910 1.000 54.26882  ? 63  SER A N   1 
ATOM   389  C CA  . SER A 1 56  ? -10.44803 -0.75756  -35.31592 1.000 54.37520  ? 63  SER A CA  1 
ATOM   390  C C   . SER A 1 56  ? -11.20615 0.55586   -35.46168 1.000 58.53840  ? 63  SER A C   1 
ATOM   391  O O   . SER A 1 56  ? -12.13654 0.62899   -36.27092 1.000 61.93520  ? 63  SER A O   1 
ATOM   392  C CB  . SER A 1 56  ? -11.31026 -1.77344  -34.56755 1.000 52.66505  ? 63  SER A CB  1 
ATOM   393  O OG  . SER A 1 56  ? -11.87643 -1.20261  -33.40279 1.000 54.72296  ? 63  SER A OG  1 
ATOM   394  N N   . LEU A 1 57  ? -10.84335 1.58761   -34.69474 1.000 56.92345  ? 64  LEU A N   1 
ATOM   395  C CA  . LEU A 1 57  ? -11.52357 2.87300   -34.82448 1.000 57.62168  ? 64  LEU A CA  1 
ATOM   396  C C   . LEU A 1 57  ? -11.26867 3.49293   -36.19212 1.000 59.94715  ? 64  LEU A C   1 
ATOM   397  O O   . LEU A 1 57  ? -12.16220 4.11481   -36.77902 1.000 64.48780  ? 64  LEU A O   1 
ATOM   398  C CB  . LEU A 1 57  ? -11.07277 3.82242   -33.71465 1.000 58.22658  ? 64  LEU A CB  1 
ATOM   399  C CG  . LEU A 1 57  ? -11.42474 3.43232   -32.27985 1.000 60.44706  ? 64  LEU A CG  1 
ATOM   400  C CD1 . LEU A 1 57  ? -10.81033 4.41693   -31.30061 1.000 55.15136  ? 64  LEU A CD1 1 
ATOM   401  C CD2 . LEU A 1 57  ? -12.93279 3.36517   -32.10195 1.000 62.70708  ? 64  LEU A CD2 1 
ATOM   402  N N   . THR A 1 58  ? -10.05486 3.33515   -36.71429 1.000 59.28477  ? 65  THR A N   1 
ATOM   403  C CA  . THR A 1 58  ? -9.69018  3.84713   -38.02666 1.000 62.84497  ? 65  THR A CA  1 
ATOM   404  C C   . THR A 1 58  ? -9.75113  2.77789   -39.11021 1.000 62.17135  ? 65  THR A C   1 
ATOM   405  O O   . THR A 1 58  ? -9.36073  3.04329   -40.25178 1.000 62.80593  ? 65  THR A O   1 
ATOM   406  C CB  . THR A 1 58  ? -8.29086  4.46211   -37.98028 1.000 64.09296  ? 65  THR A CB  1 
ATOM   407  O OG1 . THR A 1 58  ? -7.31755  3.42325   -37.82403 1.000 63.05942  ? 65  THR A OG1 1 
ATOM   408  C CG2 . THR A 1 58  ? -8.17393  5.43992   -36.81884 1.000 65.23069  ? 65  THR A CG2 1 
ATOM   409  N N   . ASP A 1 59  ? -10.23469 1.58172   -38.77985 1.000 62.26685  ? 66  ASP A N   1 
ATOM   410  C CA  . ASP A 1 59  ? -10.31623 0.47892   -39.72772 1.000 58.11677  ? 66  ASP A CA  1 
ATOM   411  C C   . ASP A 1 59  ? -11.28566 -0.58109  -39.20813 1.000 59.99919  ? 66  ASP A C   1 
ATOM   412  O O   . ASP A 1 59  ? -10.84263 -1.59296  -38.65158 1.000 60.83083  ? 66  ASP A O   1 
ATOM   413  C CB  . ASP A 1 59  ? -8.92501  -0.12067  -39.96553 1.000 54.64871  ? 66  ASP A CB  1 
ATOM   414  C CG  . ASP A 1 59  ? -8.88831  -1.05571  -41.15773 1.000 62.82629  ? 66  ASP A CG  1 
ATOM   415  O OD1 . ASP A 1 59  ? -9.94940  -1.28254  -41.77922 1.000 66.46395  ? 66  ASP A OD1 1 
ATOM   416  O OD2 . ASP A 1 59  ? -7.79282  -1.56277  -41.47505 1.000 62.59604  ? 66  ASP A OD2 1 
ATOM   417  N N   . PRO A 1 60  ? -12.60102 -0.37840  -39.36294 1.000 60.94017  ? 67  PRO A N   1 
ATOM   418  C CA  . PRO A 1 60  ? -13.56451 -1.34786  -38.81383 1.000 56.73262  ? 67  PRO A CA  1 
ATOM   419  C C   . PRO A 1 60  ? -13.34570 -2.77890  -39.27105 1.000 57.86298  ? 67  PRO A C   1 
ATOM   420  O O   . PRO A 1 60  ? -13.75622 -3.70898  -38.56411 1.000 59.50989  ? 67  PRO A O   1 
ATOM   421  C CB  . PRO A 1 60  ? -14.91042 -0.81839  -39.31921 1.000 60.95657  ? 67  PRO A CB  1 
ATOM   422  C CG  . PRO A 1 60  ? -14.69427 0.61483   -39.65566 1.000 62.17884  ? 67  PRO A CG  1 
ATOM   423  C CD  . PRO A 1 60  ? -13.23121 0.91716   -39.66204 1.000 60.43647  ? 67  PRO A CD  1 
ATOM   424  N N   . SER A 1 61  ? -12.71887 -2.98631  -40.43255 1.000 56.64844  ? 68  SER A N   1 
ATOM   425  C CA  . SER A 1 61  ? -12.58276 -4.33016  -40.98113 1.000 55.62463  ? 68  SER A CA  1 
ATOM   426  C C   . SER A 1 61  ? -11.67851 -5.21664  -40.13744 1.000 59.00159  ? 68  SER A C   1 
ATOM   427  O O   . SER A 1 61  ? -11.68990 -6.43795  -40.31874 1.000 53.75921  ? 68  SER A O   1 
ATOM   428  C CB  . SER A 1 61  ? -12.04975 -4.26615  -42.41330 1.000 59.94218  ? 68  SER A CB  1 
ATOM   429  O OG  . SER A 1 61  ? -10.65918 -4.00226  -42.43527 1.000 59.52063  ? 68  SER A OG  1 
ATOM   430  N N   . LYS A 1 62  ? -10.90232 -4.63830  -39.21850 1.000 58.17673  ? 69  LYS A N   1 
ATOM   431  C CA  . LYS A 1 62  ? -10.03645 -5.43644  -38.36000 1.000 54.32472  ? 69  LYS A CA  1 
ATOM   432  C C   . LYS A 1 62  ? -10.81254 -6.25724  -37.33887 1.000 50.43048  ? 69  LYS A C   1 
ATOM   433  O O   . LYS A 1 62  ? -10.22020 -7.13138  -36.69772 1.000 49.86953  ? 69  LYS A O   1 
ATOM   434  C CB  . LYS A 1 62  ? -9.02866  -4.53336  -37.64654 1.000 53.56305  ? 69  LYS A CB  1 
ATOM   435  C CG  . LYS A 1 62  ? -8.09723  -3.78621  -38.59284 1.000 57.32079  ? 69  LYS A CG  1 
ATOM   436  C CD  . LYS A 1 62  ? -6.81911  -3.34382  -37.89824 1.000 54.02422  ? 69  LYS A CD  1 
ATOM   437  C CE  . LYS A 1 62  ? -5.85851  -2.69256  -38.88537 1.000 54.00826  ? 69  LYS A CE  1 
ATOM   438  N NZ  . LYS A 1 62  ? -4.49907  -2.51906  -38.30424 1.000 59.19125  ? 69  LYS A NZ  1 
ATOM   439  N N   . LEU A 1 63  ? -12.10832 -5.99833  -37.16675 1.000 57.37313  ? 70  LEU A N   1 
ATOM   440  C CA  . LEU A 1 63  ? -12.96336 -6.80694  -36.30848 1.000 56.28036  ? 70  LEU A CA  1 
ATOM   441  C C   . LEU A 1 63  ? -13.72187 -7.87908  -37.08000 1.000 56.68804  ? 70  LEU A C   1 
ATOM   442  O O   . LEU A 1 63  ? -14.58900 -8.54516  -36.50499 1.000 54.38848  ? 70  LEU A O   1 
ATOM   443  C CB  . LEU A 1 63  ? -13.94945 -5.91741  -35.54885 1.000 54.95348  ? 70  LEU A CB  1 
ATOM   444  C CG  . LEU A 1 63  ? -13.34597 -4.71318  -34.82938 1.000 57.02349  ? 70  LEU A CG  1 
ATOM   445  C CD1 . LEU A 1 63  ? -14.41897 -3.92217  -34.10408 1.000 57.62246  ? 70  LEU A CD1 1 
ATOM   446  C CD2 . LEU A 1 63  ? -12.28361 -5.18042  -33.84844 1.000 57.08769  ? 70  LEU A CD2 1 
ATOM   447  N N   . ASP A 1 64  ? -13.42087 -8.05737  -38.36892 1.000 54.63138  ? 71  ASP A N   1 
ATOM   448  C CA  . ASP A 1 64  ? -14.05556 -9.11986  -39.13845 1.000 53.61289  ? 71  ASP A CA  1 
ATOM   449  C C   . ASP A 1 64  ? -13.67929 -10.50124 -38.62378 1.000 54.08798  ? 71  ASP A C   1 
ATOM   450  O O   . ASP A 1 64  ? -14.40435 -11.46594 -38.88703 1.000 52.30511  ? 71  ASP A O   1 
ATOM   451  C CB  . ASP A 1 64  ? -13.68784 -8.99359  -40.61749 1.000 52.74876  ? 71  ASP A CB  1 
ATOM   452  C CG  . ASP A 1 64  ? -14.36628 -7.81239  -41.28639 1.000 59.12117  ? 71  ASP A CG  1 
ATOM   453  O OD1 . ASP A 1 64  ? -15.19607 -7.15206  -40.62482 1.000 62.00859  ? 71  ASP A OD1 1 
ATOM   454  O OD2 . ASP A 1 64  ? -14.07302 -7.54509  -42.47101 1.000 66.85644  ? 71  ASP A OD2 1 
ATOM   455  N N   . SER A 1 65  ? -12.56821 -10.61612 -37.89664 1.000 56.70296  ? 72  SER A N   1 
ATOM   456  C CA  . SER A 1 65  ? -12.16007 -11.86449 -37.27035 1.000 51.50406  ? 72  SER A CA  1 
ATOM   457  C C   . SER A 1 65  ? -12.73320 -12.03066 -35.86550 1.000 53.48691  ? 72  SER A C   1 
ATOM   458  O O   . SER A 1 65  ? -12.20368 -12.82458 -35.07949 1.000 50.65076  ? 72  SER A O   1 
ATOM   459  C CB  . SER A 1 65  ? -10.63262 -11.95778 -37.23030 1.000 49.27409  ? 72  SER A CB  1 
ATOM   460  O OG  . SER A 1 65  ? -10.05030 -10.70171 -36.92616 1.000 46.67592  ? 72  SER A OG  1 
ATOM   461  N N   . GLY A 1 66  ? -13.79850 -11.30358 -35.53469 1.000 54.41669  ? 73  GLY A N   1 
ATOM   462  C CA  . GLY A 1 66  ? -14.40329 -11.39695 -34.22001 1.000 47.28126  ? 73  GLY A CA  1 
ATOM   463  C C   . GLY A 1 66  ? -14.68676 -10.04309 -33.60303 1.000 52.82444  ? 73  GLY A C   1 
ATOM   464  O O   . GLY A 1 66  ? -13.77544 -9.22516  -33.44660 1.000 51.16778  ? 73  GLY A O   1 
ATOM   465  N N   . LYS A 1 67  ? -15.94778 -9.79426  -33.24720 1.000 59.93265  ? 74  LYS A N   1 
ATOM   466  C CA  . LYS A 1 67  ? -16.34146 -8.51614  -32.66589 1.000 56.85658  ? 74  LYS A CA  1 
ATOM   467  C C   . LYS A 1 67  ? -16.23181 -8.49263  -31.14798 1.000 53.41101  ? 74  LYS A C   1 
ATOM   468  O O   . LYS A 1 67  ? -16.06160 -7.41626  -30.56374 1.000 52.12859  ? 74  LYS A O   1 
ATOM   469  C CB  . LYS A 1 67  ? -17.77780 -8.17190  -33.06876 1.000 57.43661  ? 74  LYS A CB  1 
ATOM   470  C CG  . LYS A 1 67  ? -17.94513 -7.80272  -34.53345 1.000 57.50067  ? 74  LYS A CG  1 
ATOM   471  C CD  . LYS A 1 67  ? -18.53579 -6.41106  -34.67646 1.000 71.97455  ? 74  LYS A CD  1 
ATOM   472  C CE  . LYS A 1 67  ? -18.52063 -5.95029  -36.12482 1.000 72.32825  ? 74  LYS A CE  1 
ATOM   473  N NZ  . LYS A 1 67  ? -18.08971 -4.52957  -36.25139 1.000 70.37830  ? 74  LYS A NZ  1 
ATOM   474  N N   . GLU A 1 68  ? -16.32271 -9.64784  -30.49632 1.000 55.18565  ? 75  GLU A N   1 
ATOM   475  C CA  . GLU A 1 68  ? -16.32484 -9.68469  -29.04091 1.000 54.29403  ? 75  GLU A CA  1 
ATOM   476  C C   . GLU A 1 68  ? -14.92797 -9.43802  -28.48339 1.000 47.97162  ? 75  GLU A C   1 
ATOM   477  O O   . GLU A 1 68  ? -13.93640 -9.98133  -28.97760 1.000 47.20230  ? 75  GLU A O   1 
ATOM   478  C CB  . GLU A 1 68  ? -16.85533 -11.02972 -28.54749 1.000 55.68998  ? 75  GLU A CB  1 
ATOM   479  C CG  . GLU A 1 68  ? -18.36459 -11.16915 -28.63658 1.000 62.70785  ? 75  GLU A CG  1 
ATOM   480  C CD  . GLU A 1 68  ? -18.80181 -11.97251 -29.84343 1.000 79.62064  ? 75  GLU A CD  1 
ATOM   481  O OE1 . GLU A 1 68  ? -18.04572 -12.01519 -30.83668 1.000 93.00076  ? 75  GLU A OE1 1 
ATOM   482  O OE2 . GLU A 1 68  ? -19.90066 -12.56420 -29.79819 1.000 87.57889  ? 75  GLU A OE2 1 
ATOM   483  N N   . LEU A 1 69  ? -14.85750 -8.61038  -27.44235 1.000 42.36901  ? 76  LEU A N   1 
ATOM   484  C CA  . LEU A 1 69  ? -13.61621 -8.31250  -26.73451 1.000 41.20764  ? 76  LEU A CA  1 
ATOM   485  C C   . LEU A 1 69  ? -13.79185 -8.75330  -25.28830 1.000 45.09054  ? 76  LEU A C   1 
ATOM   486  O O   . LEU A 1 69  ? -14.49573 -8.09202  -24.51650 1.000 46.02018  ? 76  LEU A O   1 
ATOM   487  C CB  . LEU A 1 69  ? -13.27848 -6.82496  -26.81505 1.000 39.88005  ? 76  LEU A CB  1 
ATOM   488  C CG  . LEU A 1 69  ? -13.13667 -6.22858  -28.21570 1.000 45.64559  ? 76  LEU A CG  1 
ATOM   489  C CD1 . LEU A 1 69  ? -12.81474 -4.74956  -28.13219 1.000 41.79461  ? 76  LEU A CD1 1 
ATOM   490  C CD2 . LEU A 1 69  ? -12.06986 -6.96633  -29.00844 1.000 44.45307  ? 76  LEU A CD2 1 
ATOM   491  N N   . HIS A 1 70  ? -13.15624 -9.86286  -24.91767 1.000 41.19254  ? 77  HIS A N   1 
ATOM   492  C CA  . HIS A 1 70  ? -13.34770 -10.41876 -23.58655 1.000 44.07452  ? 77  HIS A CA  1 
ATOM   493  C C   . HIS A 1 70  ? -12.12385 -11.22797 -23.18004 1.000 44.83616  ? 77  HIS A C   1 
ATOM   494  O O   . HIS A 1 70  ? -11.18977 -11.42674 -23.96221 1.000 38.73087  ? 77  HIS A O   1 
ATOM   495  C CB  . HIS A 1 70  ? -14.61224 -11.28481 -23.52418 1.000 42.22295  ? 77  HIS A CB  1 
ATOM   496  C CG  . HIS A 1 70  ? -14.62194 -12.41257 -24.50849 1.000 42.41598  ? 77  HIS A CG  1 
ATOM   497  N ND1 . HIS A 1 70  ? -15.54119 -12.49870 -25.53240 1.000 48.86330  ? 77  HIS A ND1 1 
ATOM   498  C CD2 . HIS A 1 70  ? -13.82970 -13.50463 -24.62308 1.000 41.67155  ? 77  HIS A CD2 1 
ATOM   499  C CE1 . HIS A 1 70  ? -15.31268 -13.59295 -26.23598 1.000 46.22536  ? 77  HIS A CE1 1 
ATOM   500  N NE2 . HIS A 1 70  ? -14.27945 -14.22192 -25.70462 1.000 41.39039  ? 77  HIS A NE2 1 
ATOM   501  N N   . ILE A 1 71  ? -12.14760 -11.69290 -21.93080 1.000 39.70042  ? 78  ILE A N   1 
ATOM   502  C CA  . ILE A 1 71  ? -11.11564 -12.55051 -21.36138 1.000 40.35092  ? 78  ILE A CA  1 
ATOM   503  C C   . ILE A 1 71  ? -11.80591 -13.72330 -20.68113 1.000 44.04888  ? 78  ILE A C   1 
ATOM   504  O O   . ILE A 1 71  ? -12.78792 -13.53158 -19.95522 1.000 45.88051  ? 78  ILE A O   1 
ATOM   505  C CB  . ILE A 1 71  ? -10.22859 -11.79409 -20.35303 1.000 42.57550  ? 78  ILE A CB  1 
ATOM   506  C CG1 . ILE A 1 71  ? -9.51860  -10.61880 -21.02599 1.000 38.22202  ? 78  ILE A CG1 1 
ATOM   507  C CG2 . ILE A 1 71  ? -9.21793  -12.73600 -19.70525 1.000 38.45810  ? 78  ILE A CG2 1 
ATOM   508  C CD1 . ILE A 1 71  ? -8.79719  -9.70609  -20.05332 1.000 40.31461  ? 78  ILE A CD1 1 
ATOM   509  N N   . ASN A 1 72  ? -11.29455 -14.93062 -20.90818 1.000 42.03649  ? 79  ASN A N   1 
ATOM   510  C CA  . ASN A 1 72  ? -11.84369 -16.14285 -20.31742 1.000 39.32134  ? 79  ASN A CA  1 
ATOM   511  C C   . ASN A 1 72  ? -10.76671 -16.87106 -19.52461 1.000 40.50570  ? 79  ASN A C   1 
ATOM   512  O O   . ASN A 1 72  ? -9.63081  -17.01676 -19.98911 1.000 35.75904  ? 79  ASN A O   1 
ATOM   513  C CB  . ASN A 1 72  ? -12.41879 -17.07720 -21.38944 1.000 37.39625  ? 79  ASN A CB  1 
ATOM   514  C CG  . ASN A 1 72  ? -13.69627 -16.53982 -22.00867 1.000 40.48395  ? 79  ASN A CG  1 
ATOM   515  O OD1 . ASN A 1 72  ? -14.42725 -15.76524 -21.38553 1.000 39.47416  ? 79  ASN A OD1 1 
ATOM   516  N ND2 . ASN A 1 72  ? -13.97349 -16.95173 -23.24166 1.000 36.52973  ? 79  ASN A ND2 1 
ATOM   517  N N   . LEU A 1 73  ? -11.13102 -17.31972 -18.32428 1.000 38.25097  ? 80  LEU A N   1 
ATOM   518  C CA  . LEU A 1 73  ? -10.26021 -18.10656 -17.45868 1.000 37.27214  ? 80  LEU A CA  1 
ATOM   519  C C   . LEU A 1 73  ? -10.84669 -19.50715 -17.34610 1.000 40.19987  ? 80  LEU A C   1 
ATOM   520  O O   . LEU A 1 73  ? -11.98060 -19.67007 -16.88251 1.000 42.46825  ? 80  LEU A O   1 
ATOM   521  C CB  . LEU A 1 73  ? -10.12797 -17.46167 -16.07848 1.000 37.94211  ? 80  LEU A CB  1 
ATOM   522  C CG  . LEU A 1 73  ? -9.76669  -15.97530 -16.01808 1.000 35.21622  ? 80  LEU A CG  1 
ATOM   523  C CD1 . LEU A 1 73  ? -9.81313  -15.46933 -14.58469 1.000 37.53309  ? 80  LEU A CD1 1 
ATOM   524  C CD2 . LEU A 1 73  ? -8.39608  -15.72883 -16.62151 1.000 37.17239  ? 80  LEU A CD2 1 
ATOM   525  N N   . ILE A 1 74  ? -10.07980 -20.51001 -17.76638 1.000 39.04562  ? 81  ILE A N   1 
ATOM   526  C CA  . ILE A 1 74  ? -10.59837 -21.86897 -17.91132 1.000 40.72913  ? 81  ILE A CA  1 
ATOM   527  C C   . ILE A 1 74  ? -9.69122  -22.86718 -17.19761 1.000 42.60813  ? 81  ILE A C   1 
ATOM   528  O O   . ILE A 1 74  ? -8.62343  -23.21473 -17.72224 1.000 45.91196  ? 81  ILE A O   1 
ATOM   529  C CB  . ILE A 1 74  ? -10.75000 -22.24490 -19.39448 1.000 39.79925  ? 81  ILE A CB  1 
ATOM   530  C CG1 . ILE A 1 74  ? -11.55751 -21.17843 -20.13882 1.000 36.34199  ? 81  ILE A CG1 1 
ATOM   531  C CG2 . ILE A 1 74  ? -11.40201 -23.61453 -19.53067 1.000 38.99624  ? 81  ILE A CG2 1 
ATOM   532  C CD1 . ILE A 1 74  ? -11.59160 -21.36086 -21.63883 1.000 38.83474  ? 81  ILE A CD1 1 
ATOM   533  N N   . PRO A 1 75  ? -10.06720 -23.35344 -16.01716 1.000 42.60065  ? 82  PRO A N   1 
ATOM   534  C CA  . PRO A 1 75  ? -9.28804  -24.40828 -15.36087 1.000 46.11804  ? 82  PRO A CA  1 
ATOM   535  C C   . PRO A 1 75  ? -9.74387  -25.80295 -15.75912 1.000 47.93189  ? 82  PRO A C   1 
ATOM   536  O O   . PRO A 1 75  ? -10.92010 -26.05932 -16.02259 1.000 46.81818  ? 82  PRO A O   1 
ATOM   537  C CB  . PRO A 1 75  ? -9.55624  -24.15264 -13.87101 1.000 44.41276  ? 82  PRO A CB  1 
ATOM   538  C CG  . PRO A 1 75  ? -10.92289 -23.54441 -13.84220 1.000 44.20677  ? 82  PRO A CG  1 
ATOM   539  C CD  . PRO A 1 75  ? -11.16248 -22.85753 -15.16526 1.000 44.09625  ? 82  PRO A CD  1 
ATOM   540  N N   . ASN A 1 76  ? -8.77644  -26.71932 -15.79372 1.000 46.86834  ? 83  ASN A N   1 
ATOM   541  C CA  . ASN A 1 76  ? -9.02583  -28.11268 -16.15896 1.000 48.21432  ? 83  ASN A CA  1 
ATOM   542  C C   . ASN A 1 76  ? -8.23417  -28.99822 -15.20645 1.000 52.14226  ? 83  ASN A C   1 
ATOM   543  O O   . ASN A 1 76  ? -7.00875  -29.09191 -15.32054 1.000 52.62663  ? 83  ASN A O   1 
ATOM   544  C CB  . ASN A 1 76  ? -8.63296  -28.38128 -17.61329 1.000 51.95237  ? 83  ASN A CB  1 
ATOM   545  C CG  . ASN A 1 76  ? -9.11110  -29.73391 -18.11405 1.000 51.65809  ? 83  ASN A CG  1 
ATOM   546  O OD1 . ASN A 1 76  ? -9.36173  -30.65313 -17.33417 1.000 54.35370  ? 83  ASN A OD1 1 
ATOM   547  N ND2 . ASN A 1 76  ? -9.23840  -29.85877 -19.42950 1.000 54.99316  ? 83  ASN A ND2 1 
ATOM   548  N N   . LYS A 1 77  ? -8.93165  -29.65303 -14.27436 1.000 54.88624  ? 84  LYS A N   1 
ATOM   549  C CA  . LYS A 1 77  ? -8.24823  -30.49446 -13.29657 1.000 54.70822  ? 84  LYS A CA  1 
ATOM   550  C C   . LYS A 1 77  ? -7.73007  -31.78561 -13.91750 1.000 58.62443  ? 84  LYS A C   1 
ATOM   551  O O   . LYS A 1 77  ? -6.73182  -32.34038 -13.44304 1.000 54.15132  ? 84  LYS A O   1 
ATOM   552  C CB  . LYS A 1 77  ? -9.18166  -30.81377 -12.12953 1.000 52.42205  ? 84  LYS A CB  1 
ATOM   553  C CG  . LYS A 1 77  ? -9.32772  -29.69038 -11.11482 1.000 55.59027  ? 84  LYS A CG  1 
ATOM   554  C CD  . LYS A 1 77  ? -10.10965 -30.16360 -9.89747  1.000 66.57186  ? 84  LYS A CD  1 
ATOM   555  C CE  . LYS A 1 77  ? -10.28433 -29.05255 -8.87392  1.000 67.12846  ? 84  LYS A CE  1 
ATOM   556  N NZ  . LYS A 1 77  ? -11.15031 -27.95776 -9.38775  1.000 67.30144  ? 84  LYS A NZ  1 
ATOM   557  N N   . GLN A 1 78  ? -8.39116  -32.28116 -14.96607 1.000 59.02378  ? 85  GLN A N   1 
ATOM   558  C CA  . GLN A 1 78  ? -7.96002  -33.52659 -15.59333 1.000 58.99905  ? 85  GLN A CA  1 
ATOM   559  C C   . GLN A 1 78  ? -6.59230  -33.36647 -16.24457 1.000 58.21157  ? 85  GLN A C   1 
ATOM   560  O O   . GLN A 1 78  ? -5.71354  -34.22292 -16.08842 1.000 60.58159  ? 85  GLN A O   1 
ATOM   561  C CB  . GLN A 1 78  ? -8.99799  -33.98275 -16.61897 1.000 61.63726  ? 85  GLN A CB  1 
ATOM   562  C CG  . GLN A 1 78  ? -9.22855  -35.48679 -16.64392 1.000 70.88633  ? 85  GLN A CG  1 
ATOM   563  C CD  . GLN A 1 78  ? -10.04413 -35.97317 -15.46100 1.000 81.72438  ? 85  GLN A CD  1 
ATOM   564  O OE1 . GLN A 1 78  ? -9.54360  -36.70357 -14.60470 1.000 85.96051  ? 85  GLN A OE1 1 
ATOM   565  N NE2 . GLN A 1 78  ? -11.30831 -35.56636 -15.40616 1.000 81.45566  ? 85  GLN A NE2 1 
ATOM   566  N N   . ASP A 1 79  ? -6.39477  -32.27272 -16.97840 1.000 52.68852  ? 86  ASP A N   1 
ATOM   567  C CA  . ASP A 1 79  ? -5.11285  -31.97818 -17.60086 1.000 53.49757  ? 86  ASP A CA  1 
ATOM   568  C C   . ASP A 1 79  ? -4.19436  -31.15724 -16.70694 1.000 55.41415  ? 86  ASP A C   1 
ATOM   569  O O   . ASP A 1 79  ? -3.01951  -30.98570 -17.05019 1.000 59.22024  ? 86  ASP A O   1 
ATOM   570  C CB  . ASP A 1 79  ? -5.32678  -31.23749 -18.92565 1.000 54.30692  ? 86  ASP A CB  1 
ATOM   571  C CG  . ASP A 1 79  ? -6.28854  -31.96326 -19.84948 1.000 61.09315  ? 86  ASP A CG  1 
ATOM   572  O OD1 . ASP A 1 79  ? -6.42313  -33.20133 -19.72565 1.000 62.42852  ? 86  ASP A OD1 1 
ATOM   573  O OD2 . ASP A 1 79  ? -6.91997  -31.29483 -20.69469 1.000 60.07876  ? 86  ASP A OD2 1 
ATOM   574  N N   . ARG A 1 80  ? -4.70183  -30.64798 -15.58129 1.000 48.30652  ? 87  ARG A N   1 
ATOM   575  C CA  . ARG A 1 80  ? -3.93161  -29.80603 -14.66497 1.000 45.47386  ? 87  ARG A CA  1 
ATOM   576  C C   . ARG A 1 80  ? -3.41052  -28.56030 -15.38306 1.000 42.63209  ? 87  ARG A C   1 
ATOM   577  O O   . ARG A 1 80  ? -2.22989  -28.21441 -15.30923 1.000 40.87357  ? 87  ARG A O   1 
ATOM   578  C CB  . ARG A 1 80  ? -2.78864  -30.59536 -14.01693 1.000 46.67161  ? 87  ARG A CB  1 
ATOM   579  C CG  . ARG A 1 80  ? -2.18396  -29.93269 -12.78507 1.000 49.49375  ? 87  ARG A CG  1 
ATOM   580  C CD  . ARG A 1 80  ? -1.49352  -30.94728 -11.88625 1.000 54.51308  ? 87  ARG A CD  1 
ATOM   581  N NE  . ARG A 1 80  ? -0.05015  -30.95229 -12.09309 1.000 57.92745  ? 87  ARG A NE  1 
ATOM   582  C CZ  . ARG A 1 80  ? 0.71081   -32.03838 -12.06231 1.000 64.08817  ? 87  ARG A CZ  1 
ATOM   583  N NH1 . ARG A 1 80  ? 0.20423   -33.23181 -11.79656 1.000 64.17075  ? 87  ARG A NH1 1 
ATOM   584  N NH2 . ARG A 1 80  ? 2.01477   -31.92340 -12.29682 1.000 62.12472  ? 87  ARG A NH2 1 
ATOM   585  N N   . THR A 1 81  ? -4.30721  -27.88320 -16.09437 1.000 41.55083  ? 88  THR A N   1 
ATOM   586  C CA  . THR A 1 81  ? -3.95658  -26.68628 -16.84159 1.000 39.51300  ? 88  THR A CA  1 
ATOM   587  C C   . THR A 1 81  ? -4.85651  -25.52563 -16.43844 1.000 43.48022  ? 88  THR A C   1 
ATOM   588  O O   . THR A 1 81  ? -6.02053  -25.71631 -16.07365 1.000 39.20105  ? 88  THR A O   1 
ATOM   589  C CB  . THR A 1 81  ? -4.06771  -26.91566 -18.35639 1.000 40.92522  ? 88  THR A CB  1 
ATOM   590  O OG1 . THR A 1 81  ? -5.40902  -27.29823 -18.68762 1.000 45.96823  ? 88  THR A OG1 1 
ATOM   591  C CG2 . THR A 1 81  ? -3.10324  -28.00236 -18.81313 1.000 47.46237  ? 88  THR A CG2 1 
ATOM   592  N N   . LEU A 1 82  ? -4.29350  -24.31940 -16.48786 1.000 42.63378  ? 89  LEU A N   1 
ATOM   593  C CA  . LEU A 1 82  ? -5.04666  -23.07758 -16.36270 1.000 37.65247  ? 89  LEU A CA  1 
ATOM   594  C C   . LEU A 1 82  ? -4.83386  -22.27905 -17.63771 1.000 39.03748  ? 89  LEU A C   1 
ATOM   595  O O   . LEU A 1 82  ? -3.69060  -21.99414 -18.01056 1.000 35.85399  ? 89  LEU A O   1 
ATOM   596  C CB  . LEU A 1 82  ? -4.60984  -22.26594 -15.14153 1.000 41.16104  ? 89  LEU A CB  1 
ATOM   597  C CG  . LEU A 1 82  ? -5.33673  -20.92648 -14.98726 1.000 39.32842  ? 89  LEU A CG  1 
ATOM   598  C CD1 . LEU A 1 82  ? -6.82030  -21.14185 -14.70408 1.000 41.96187  ? 89  LEU A CD1 1 
ATOM   599  C CD2 . LEU A 1 82  ? -4.69175  -20.07087 -13.90741 1.000 36.85242  ? 89  LEU A CD2 1 
ATOM   600  N N   . THR A 1 83  ? -5.92773  -21.92573 -18.30467 1.000 38.59430  ? 90  THR A N   1 
ATOM   601  C CA  . THR A 1 83  ? -5.87541  -21.25497 -19.59455 1.000 35.66719  ? 90  THR A CA  1 
ATOM   602  C C   . THR A 1 83  ? -6.46036  -19.85531 -19.47502 1.000 39.32447  ? 90  THR A C   1 
ATOM   603  O O   . THR A 1 83  ? -7.53062  -19.67173 -18.88434 1.000 39.37546  ? 90  THR A O   1 
ATOM   604  C CB  . THR A 1 83  ? -6.63088  -22.05451 -20.66091 1.000 39.24963  ? 90  THR A CB  1 
ATOM   605  O OG1 . THR A 1 83  ? -6.14034  -23.40249 -20.69459 1.000 39.32217  ? 90  THR A OG1 1 
ATOM   606  C CG2 . THR A 1 83  ? -6.44802  -21.41876 -22.02228 1.000 37.89194  ? 90  THR A CG2 1 
ATOM   607  N N   . ILE A 1 84  ? -5.75598  -18.87607 -20.03603 1.000 37.75785  ? 91  ILE A N   1 
ATOM   608  C CA  . ILE A 1 84  ? -6.22533  -17.49817 -20.11738 1.000 38.20591  ? 91  ILE A CA  1 
ATOM   609  C C   . ILE A 1 84  ? -6.41274  -17.17680 -21.59134 1.000 39.29102  ? 91  ILE A C   1 
ATOM   610  O O   . ILE A 1 84  ? -5.43616  -17.08552 -22.34559 1.000 38.29020  ? 91  ILE A O   1 
ATOM   611  C CB  . ILE A 1 84  ? -5.25381  -16.51261 -19.45352 1.000 39.70481  ? 91  ILE A CB  1 
ATOM   612  C CG1 . ILE A 1 84  ? -5.15100  -16.78616 -17.95218 1.000 38.28533  ? 91  ILE A CG1 1 
ATOM   613  C CG2 . ILE A 1 84  ? -5.69727  -15.07790 -19.70778 1.000 35.68245  ? 91  ILE A CG2 1 
ATOM   614  C CD1 . ILE A 1 84  ? -3.98995  -17.66601 -17.56015 1.000 41.55262  ? 91  ILE A CD1 1 
ATOM   615  N N   . VAL A 1 85  ? -7.66546  -17.00897 -22.00535 1.000 41.11603  ? 92  VAL A N   1 
ATOM   616  C CA  . VAL A 1 85  ? -8.01161  -16.72483 -23.39187 1.000 37.38885  ? 92  VAL A CA  1 
ATOM   617  C C   . VAL A 1 85  ? -8.44890  -15.27243 -23.49824 1.000 40.70457  ? 92  VAL A C   1 
ATOM   618  O O   . VAL A 1 85  ? -9.22504  -14.78677 -22.66643 1.000 40.55503  ? 92  VAL A O   1 
ATOM   619  C CB  . VAL A 1 85  ? -9.11731  -17.66443 -23.90064 1.000 40.79730  ? 92  VAL A CB  1 
ATOM   620  C CG1 . VAL A 1 85  ? -9.39571  -17.40767 -25.37495 1.000 36.34087  ? 92  VAL A CG1 1 
ATOM   621  C CG2 . VAL A 1 85  ? -8.73608  -19.11313 -23.65386 1.000 44.40709  ? 92  VAL A CG2 1 
ATOM   622  N N   . ASP A 1 86  ? -7.93963  -14.57965 -24.51257 1.000 40.23400  ? 93  ASP A N   1 
ATOM   623  C CA  . ASP A 1 86  ? -8.38435  -13.23906 -24.84964 1.000 39.65432  ? 93  ASP A CA  1 
ATOM   624  C C   . ASP A 1 86  ? -8.56160  -13.14326 -26.35618 1.000 39.09453  ? 93  ASP A C   1 
ATOM   625  O O   . ASP A 1 86  ? -7.89673  -13.84531 -27.12160 1.000 39.82414  ? 93  ASP A O   1 
ATOM   626  C CB  . ASP A 1 86  ? -7.39346  -12.16869 -24.36459 1.000 33.85892  ? 93  ASP A CB  1 
ATOM   627  C CG  . ASP A 1 86  ? -6.10525  -12.14675 -25.17717 1.000 45.58652  ? 93  ASP A CG  1 
ATOM   628  O OD1 . ASP A 1 86  ? -6.09664  -11.57901 -26.29615 1.000 46.27687  ? 93  ASP A OD1 1 
ATOM   629  O OD2 . ASP A 1 86  ? -5.09281  -12.69225 -24.69060 1.000 43.95186  ? 93  ASP A OD2 1 
ATOM   630  N N   . THR A 1 87  ? -9.47563  -12.27350 -26.77484 1.000 35.35169  ? 94  THR A N   1 
ATOM   631  C CA  . THR A 1 87  ? -9.67481  -11.95648 -28.18659 1.000 40.78157  ? 94  THR A CA  1 
ATOM   632  C C   . THR A 1 87  ? -8.97171  -10.66175 -28.56482 1.000 41.97412  ? 94  THR A C   1 
ATOM   633  O O   . THR A 1 87  ? -9.52999  -9.82277  -29.27901 1.000 45.05005  ? 94  THR A O   1 
ATOM   634  C CB  . THR A 1 87  ? -11.16326 -11.87348 -28.51071 1.000 37.02903  ? 94  THR A CB  1 
ATOM   635  O OG1 . THR A 1 87  ? -11.83069 -11.10124 -27.50412 1.000 40.11661  ? 94  THR A OG1 1 
ATOM   636  C CG2 . THR A 1 87  ? -11.77639 -13.26515 -28.56087 1.000 36.50970  ? 94  THR A CG2 1 
ATOM   637  N N   . GLY A 1 88  ? -7.74074  -10.47868 -28.09097 1.000 40.59723  ? 95  GLY A N   1 
ATOM   638  C CA  . GLY A 1 88  ? -6.98331  -9.27707  -28.37610 1.000 41.05612  ? 95  GLY A CA  1 
ATOM   639  C C   . GLY A 1 88  ? -6.39452  -9.24405  -29.77044 1.000 42.73924  ? 95  GLY A C   1 
ATOM   640  O O   . GLY A 1 88  ? -6.84897  -9.96210  -30.66617 1.000 41.53550  ? 95  GLY A O   1 
ATOM   641  N N   . ILE A 1 89  ? -5.37401  -8.40601  -29.96723 1.000 44.23134  ? 96  ILE A N   1 
ATOM   642  C CA  . ILE A 1 89  ? -4.79778  -8.24085  -31.29646 1.000 43.34746  ? 96  ILE A CA  1 
ATOM   643  C C   . ILE A 1 89  ? -3.96958  -9.45207  -31.71425 1.000 40.93209  ? 96  ILE A C   1 
ATOM   644  O O   . ILE A 1 89  ? -3.80252  -9.70146  -32.91451 1.000 44.64962  ? 96  ILE A O   1 
ATOM   645  C CB  . ILE A 1 89  ? -3.96677  -6.94312  -31.34533 1.000 43.05456  ? 96  ILE A CB  1 
ATOM   646  C CG1 . ILE A 1 89  ? -3.60589  -6.57318  -32.78759 1.000 44.54611  ? 96  ILE A CG1 1 
ATOM   647  C CG2 . ILE A 1 89  ? -2.72336  -7.07197  -30.48110 1.000 42.29884  ? 96  ILE A CG2 1 
ATOM   648  C CD1 . ILE A 1 89  ? -3.17742  -5.13423  -32.95772 1.000 46.49171  ? 96  ILE A CD1 1 
ATOM   649  N N   . GLY A 1 90  ? -3.47138  -10.23250 -30.75875 1.000 44.42967  ? 97  GLY A N   1 
ATOM   650  C CA  . GLY A 1 90  ? -2.67622  -11.39885 -31.07797 1.000 41.45062  ? 97  GLY A CA  1 
ATOM   651  C C   . GLY A 1 90  ? -1.23159  -11.04113 -31.37010 1.000 41.46747  ? 97  GLY A C   1 
ATOM   652  O O   . GLY A 1 90  ? -0.81575  -9.88068  -31.33351 1.000 40.96059  ? 97  GLY A O   1 
ATOM   653  N N   . MET A 1 91  ? -0.44585  -12.07530 -31.66861 1.000 41.22083  ? 98  MET A N   1 
ATOM   654  C CA  . MET A 1 91  ? 0.97119   -11.91072 -31.96417 1.000 43.75945  ? 98  MET A CA  1 
ATOM   655  C C   . MET A 1 91  ? 1.33103   -12.62587 -33.25776 1.000 45.46512  ? 98  MET A C   1 
ATOM   656  O O   . MET A 1 91  ? 0.86536   -13.74017 -33.51709 1.000 43.63720  ? 98  MET A O   1 
ATOM   657  C CB  . MET A 1 91  ? 1.86055   -12.43467 -30.82292 1.000 43.02935  ? 98  MET A CB  1 
ATOM   658  C CG  . MET A 1 91  ? 1.72397   -11.66564 -29.51845 1.000 44.83959  ? 98  MET A CG  1 
ATOM   659  S SD  . MET A 1 91  ? 2.30034   -12.57056 -28.06838 1.000 46.38251  ? 98  MET A SD  1 
ATOM   660  C CE  . MET A 1 91  ? 1.10824   -13.90180 -27.97721 1.000 40.00431  ? 98  MET A CE  1 
ATOM   661  N N   . THR A 1 92  ? 2.16562   -11.97457 -34.06366 1.000 44.01013  ? 99  THR A N   1 
ATOM   662  C CA  . THR A 1 92  ? 2.66412   -12.55458 -35.29773 1.000 47.03767  ? 99  THR A CA  1 
ATOM   663  C C   . THR A 1 92  ? 3.85721   -13.46477 -35.01028 1.000 48.97165  ? 99  THR A C   1 
ATOM   664  O O   . THR A 1 92  ? 4.36020   -13.54256 -33.88611 1.000 49.30244  ? 99  THR A O   1 
ATOM   665  C CB  . THR A 1 92  ? 3.05977   -11.45510 -36.28123 1.000 48.64957  ? 99  THR A CB  1 
ATOM   666  O OG1 . THR A 1 92  ? 4.27007   -10.83184 -35.83381 1.000 51.15661  ? 99  THR A OG1 1 
ATOM   667  C CG2 . THR A 1 92  ? 1.95990   -10.40280 -36.37497 1.000 44.66570  ? 99  THR A CG2 1 
ATOM   668  N N   . LYS A 1 93  ? 4.30880   -14.16821 -36.05153 1.000 48.71633  ? 100 LYS A N   1 
ATOM   669  C CA  . LYS A 1 93  ? 5.47159   -15.03851 -35.90307 1.000 51.30390  ? 100 LYS A CA  1 
ATOM   670  C C   . LYS A 1 93  ? 6.72112   -14.23608 -35.55976 1.000 50.21804  ? 100 LYS A C   1 
ATOM   671  O O   . LYS A 1 93  ? 7.57619   -14.69936 -34.79464 1.000 46.55074  ? 100 LYS A O   1 
ATOM   672  C CB  . LYS A 1 93  ? 5.69070   -15.84804 -37.18123 1.000 49.56459  ? 100 LYS A CB  1 
ATOM   673  C CG  . LYS A 1 93  ? 6.62045   -17.03616 -36.99902 1.000 47.51540  ? 100 LYS A CG  1 
ATOM   674  C CD  . LYS A 1 93  ? 7.08910   -17.58463 -38.33211 1.000 49.81548  ? 100 LYS A CD  1 
ATOM   675  C CE  . LYS A 1 93  ? 7.73283   -18.95249 -38.16732 1.000 54.73672  ? 100 LYS A CE  1 
ATOM   676  N NZ  . LYS A 1 93  ? 8.47715   -19.37304 -39.39111 1.000 59.09420  ? 100 LYS A NZ  1 
ATOM   677  N N   . ALA A 1 94  ? 6.84264   -13.02792 -36.11776 1.000 46.93375  ? 101 ALA A N   1 
ATOM   678  C CA  . ALA A 1 94  ? 7.99421   -12.18161 -35.82011 1.000 54.08523  ? 101 ALA A CA  1 
ATOM   679  C C   . ALA A 1 94  ? 7.99637   -11.74298 -34.36036 1.000 54.02211  ? 101 ALA A C   1 
ATOM   680  O O   . ALA A 1 94  ? 9.06061   -11.62287 -33.74146 1.000 54.37985  ? 101 ALA A O   1 
ATOM   681  C CB  . ALA A 1 94  ? 8.00503   -10.96634 -36.74746 1.000 44.50950  ? 101 ALA A CB  1 
ATOM   682  N N   . ASP A 1 95  ? 6.81349   -11.49315 -33.79439 1.000 52.41267  ? 102 ASP A N   1 
ATOM   683  C CA  . ASP A 1 95  ? 6.72497   -11.16844 -32.37359 1.000 52.74392  ? 102 ASP A CA  1 
ATOM   684  C C   . ASP A 1 95  ? 7.25332   -12.31146 -31.51671 1.000 51.50289  ? 102 ASP A C   1 
ATOM   685  O O   . ASP A 1 95  ? 8.03962   -12.09687 -30.58666 1.000 51.94298  ? 102 ASP A O   1 
ATOM   686  C CB  . ASP A 1 95  ? 5.27847   -10.84989 -31.99507 1.000 48.68508  ? 102 ASP A CB  1 
ATOM   687  C CG  . ASP A 1 95  ? 4.76213   -9.59779  -32.66631 1.000 48.57683  ? 102 ASP A CG  1 
ATOM   688  O OD1 . ASP A 1 95  ? 5.57748   -8.69943  -32.96056 1.000 50.13532  ? 102 ASP A OD1 1 
ATOM   689  O OD2 . ASP A 1 95  ? 3.53837   -9.51364  -32.89774 1.000 53.47215  ? 102 ASP A OD2 1 
ATOM   690  N N   . LEU A 1 96  ? 6.83447   -13.54066 -31.82696 1.000 50.63781  ? 103 LEU A N   1 
ATOM   691  C CA  . LEU A 1 96  ? 7.18471   -14.68803 -30.99653 1.000 45.49985  ? 103 LEU A CA  1 
ATOM   692  C C   . LEU A 1 96  ? 8.68262   -14.97020 -31.00005 1.000 49.77504  ? 103 LEU A C   1 
ATOM   693  O O   . LEU A 1 96  ? 9.20603   -15.52964 -30.02981 1.000 52.49525  ? 103 LEU A O   1 
ATOM   694  C CB  . LEU A 1 96  ? 6.42482   -15.92486 -31.47533 1.000 40.88110  ? 103 LEU A CB  1 
ATOM   695  C CG  . LEU A 1 96  ? 4.90024   -15.89461 -31.36335 1.000 41.74716  ? 103 LEU A CG  1 
ATOM   696  C CD1 . LEU A 1 96  ? 4.30014   -17.18936 -31.89237 1.000 38.94358  ? 103 LEU A CD1 1 
ATOM   697  C CD2 . LEU A 1 96  ? 4.46358   -15.65765 -29.92259 1.000 42.45292  ? 103 LEU A CD2 1 
ATOM   698  N N   . ILE A 1 97  ? 9.38838   -14.59435 -32.06073 1.000 48.03405  ? 104 ILE A N   1 
ATOM   699  C CA  . ILE A 1 97  ? 10.76161  -15.04289 -32.27558 1.000 53.85828  ? 104 ILE A CA  1 
ATOM   700  C C   . ILE A 1 97  ? 11.78328  -13.97107 -31.89669 1.000 61.45566  ? 104 ILE A C   1 
ATOM   701  O O   . ILE A 1 97  ? 12.72021  -14.24391 -31.14426 1.000 73.83931  ? 104 ILE A O   1 
ATOM   702  C CB  . ILE A 1 97  ? 10.94384  -15.52371 -33.73351 1.000 54.99987  ? 104 ILE A CB  1 
ATOM   703  C CG1 . ILE A 1 97  ? 10.16991  -16.82556 -33.94007 1.000 52.17228  ? 104 ILE A CG1 1 
ATOM   704  C CG2 . ILE A 1 97  ? 12.41339  -15.74254 -34.04976 1.000 59.02612  ? 104 ILE A CG2 1 
ATOM   705  C CD1 . ILE A 1 97  ? 10.01123  -17.24149 -35.38537 1.000 48.12489  ? 104 ILE A CD1 1 
ATOM   706  N N   . ASN A 1 98  ? 11.63234  -12.74013 -32.39488 1.000 55.98937  ? 105 ASN A N   1 
ATOM   707  C CA  . ASN A 1 98  ? 12.67011  -11.74807 -32.11815 1.000 65.82095  ? 105 ASN A CA  1 
ATOM   708  C C   . ASN A 1 98  ? 12.15645  -10.42464 -31.55620 1.000 64.73381  ? 105 ASN A C   1 
ATOM   709  O O   . ASN A 1 98  ? 12.88039  -9.75625  -30.81224 1.000 67.08377  ? 105 ASN A O   1 
ATOM   710  C CB  . ASN A 1 98  ? 13.49703  -11.47386 -33.37807 1.000 67.94067  ? 105 ASN A CB  1 
ATOM   711  C CG  . ASN A 1 98  ? 12.68897  -11.61050 -34.64955 1.000 74.38531  ? 105 ASN A CG  1 
ATOM   712  O OD1 . ASN A 1 98  ? 11.71875  -10.88210 -34.86254 1.000 88.96203  ? 105 ASN A OD1 1 
ATOM   713  N ND2 . ASN A 1 98  ? 13.10091  -12.52933 -35.51744 1.000 71.98314  ? 105 ASN A ND2 1 
ATOM   714  N N   . ASN A 1 99  ? 10.93099  -10.02153 -31.89954 1.000 57.17025  ? 106 ASN A N   1 
ATOM   715  C CA  . ASN A 1 99  ? 10.47049  -8.68749  -31.51484 1.000 60.46867  ? 106 ASN A CA  1 
ATOM   716  C C   . ASN A 1 99  ? 10.27643  -8.56922  -30.00668 1.000 61.75691  ? 106 ASN A C   1 
ATOM   717  O O   . ASN A 1 99  ? 10.81149  -7.65153  -29.37307 1.000 64.48081  ? 106 ASN A O   1 
ATOM   718  C CB  . ASN A 1 99  ? 9.17851   -8.33109  -32.25321 1.000 56.23214  ? 106 ASN A CB  1 
ATOM   719  C CG  . ASN A 1 99  ? 9.40666   -8.05563  -33.72512 1.000 58.39958  ? 106 ASN A CG  1 
ATOM   720  O OD1 . ASN A 1 99  ? 10.53155  -7.79461  -34.14924 1.000 62.27378  ? 106 ASN A OD1 1 
ATOM   721  N ND2 . ASN A 1 99  ? 8.33626   -8.09351  -34.51003 1.000 56.51080  ? 106 ASN A ND2 1 
ATOM   722  N N   . LEU A 1 100 ? 9.50924   -9.48489  -29.41227 1.000 58.26799  ? 107 LEU A N   1 
ATOM   723  C CA  . LEU A 1 100 ? 9.21569   -9.38118  -27.98592 1.000 63.30743  ? 107 LEU A CA  1 
ATOM   724  C C   . LEU A 1 100 ? 10.45487  -9.62407  -27.13120 1.000 62.41220  ? 107 LEU A C   1 
ATOM   725  O O   . LEU A 1 100 ? 10.57267  -9.05916  -26.03798 1.000 62.32883  ? 107 LEU A O   1 
ATOM   726  C CB  . LEU A 1 100 ? 8.10471   -10.36037 -27.60763 1.000 57.83668  ? 107 LEU A CB  1 
ATOM   727  C CG  . LEU A 1 100 ? 6.76994   -10.12478 -28.32122 1.000 58.68892  ? 107 LEU A CG  1 
ATOM   728  C CD1 . LEU A 1 100 ? 5.69678   -11.05865 -27.78880 1.000 58.15367  ? 107 LEU A CD1 1 
ATOM   729  C CD2 . LEU A 1 100 ? 6.33604   -8.67290  -28.19764 1.000 60.51858  ? 107 LEU A CD2 1 
ATOM   730  N N   . GLY A 1 101 ? 11.38797  -10.45047 -27.60918 1.000 62.67450  ? 108 GLY A N   1 
ATOM   731  C CA  . GLY A 1 101 ? 12.61096  -10.68952 -26.86369 1.000 58.57865  ? 108 GLY A CA  1 
ATOM   732  C C   . GLY A 1 101 ? 13.58540  -9.53427  -26.91107 1.000 64.87388  ? 108 GLY A C   1 
ATOM   733  O O   . GLY A 1 101 ? 14.33600  -9.31861  -25.95439 1.000 65.53785  ? 108 GLY A O   1 
ATOM   734  N N   . THR A 1 102 ? 13.59983  -8.78454  -28.01640 1.000 61.08204  ? 109 THR A N   1 
ATOM   735  C CA  . THR A 1 102 ? 14.45338  -7.60421  -28.09994 1.000 61.37361  ? 109 THR A CA  1 
ATOM   736  C C   . THR A 1 102 ? 13.97285  -6.51294  -27.15274 1.000 63.53390  ? 109 THR A C   1 
ATOM   737  O O   . THR A 1 102 ? 14.78331  -5.87537  -26.47033 1.000 66.58625  ? 109 THR A O   1 
ATOM   738  C CB  . THR A 1 102 ? 14.49531  -7.08750  -29.53818 1.000 61.68786  ? 109 THR A CB  1 
ATOM   739  O OG1 . THR A 1 102 ? 14.89542  -8.14693  -30.41724 1.000 69.16136  ? 109 THR A OG1 1 
ATOM   740  C CG2 . THR A 1 102 ? 15.47501  -5.92814  -29.66751 1.000 63.46031  ? 109 THR A CG2 1 
ATOM   741  N N   . ILE A 1 103 ? 12.65781  -6.28625  -27.09871 1.000 63.30244  ? 110 ILE A N   1 
ATOM   742  C CA  . ILE A 1 103 ? 12.09802  -5.32223  -26.15350 1.000 67.43020  ? 110 ILE A CA  1 
ATOM   743  C C   . ILE A 1 103 ? 12.42885  -5.73139  -24.72440 1.000 66.93692  ? 110 ILE A C   1 
ATOM   744  O O   . ILE A 1 103 ? 12.84758  -4.90932  -23.90082 1.000 71.43602  ? 110 ILE A O   1 
ATOM   745  C CB  . ILE A 1 103 ? 10.57721  -5.19404  -26.35667 1.000 67.22052  ? 110 ILE A CB  1 
ATOM   746  C CG1 . ILE A 1 103 ? 10.26161  -4.39509  -27.62035 1.000 70.38703  ? 110 ILE A CG1 1 
ATOM   747  C CG2 . ILE A 1 103 ? 9.92642   -4.54656  -25.14579 1.000 69.55299  ? 110 ILE A CG2 1 
ATOM   748  C CD1 . ILE A 1 103 ? 8.90574   -4.71738  -28.20992 1.000 71.44066  ? 110 ILE A CD1 1 
ATOM   749  N N   . ALA A 1 104 ? 12.26083  -7.01666  -24.41569 1.000 60.78115  ? 111 ALA A N   1 
ATOM   750  C CA  . ALA A 1 104 ? 12.41001  -7.50406  -23.05198 1.000 62.27771  ? 111 ALA A CA  1 
ATOM   751  C C   . ALA A 1 104 ? 13.85819  -7.54562  -22.58020 1.000 62.71685  ? 111 ALA A C   1 
ATOM   752  O O   . ALA A 1 104 ? 14.09261  -7.81789  -21.39833 1.000 62.18998  ? 111 ALA A O   1 
ATOM   753  C CB  . ALA A 1 104 ? 11.78359  -8.89340  -22.93220 1.000 60.96405  ? 111 ALA A CB  1 
ATOM   754  N N   . LYS A 1 105 ? 14.83012  -7.28421  -23.45787 1.000 60.54867  ? 112 LYS A N   1 
ATOM   755  C CA  . LYS A 1 105 ? 16.22357  -7.28203  -23.02155 1.000 61.35109  ? 112 LYS A CA  1 
ATOM   756  C C   . LYS A 1 105 ? 16.51177  -6.10835  -22.09244 1.000 63.73066  ? 112 LYS A C   1 
ATOM   757  O O   . LYS A 1 105 ? 17.23713  -6.25760  -21.10128 1.000 61.21154  ? 112 LYS A O   1 
ATOM   758  C CB  . LYS A 1 105 ? 17.15834  -7.24824  -24.22970 1.000 66.73129  ? 112 LYS A CB  1 
ATOM   759  C CG  . LYS A 1 105 ? 18.63646  -7.31266  -23.86637 1.000 70.60284  ? 112 LYS A CG  1 
ATOM   760  C CD  . LYS A 1 105 ? 19.45012  -7.95140  -24.97724 1.000 69.50356  ? 112 LYS A CD  1 
ATOM   761  C CE  . LYS A 1 105 ? 20.81107  -7.28981  -25.12404 1.000 76.15525  ? 112 LYS A CE  1 
ATOM   762  N NZ  . LYS A 1 105 ? 21.86280  -8.00392  -24.34737 1.000 74.79966  ? 112 LYS A NZ  1 
ATOM   763  N N   . SER A 1 106 ? 15.95532  -4.93280  -22.39551 1.000 59.30812  ? 113 SER A N   1 
ATOM   764  C CA  . SER A 1 106 ? 16.17567  -3.76760  -21.54567 1.000 56.96959  ? 113 SER A CA  1 
ATOM   765  C C   . SER A 1 106 ? 15.33252  -3.83366  -20.27838 1.000 59.72835  ? 113 SER A C   1 
ATOM   766  O O   . SER A 1 106 ? 15.79418  -3.44067  -19.20108 1.000 57.76364  ? 113 SER A O   1 
ATOM   767  C CB  . SER A 1 106 ? 15.87142  -2.48532  -22.31994 1.000 62.15232  ? 113 SER A CB  1 
ATOM   768  O OG  . SER A 1 106 ? 14.48038  -2.34895  -22.55070 1.000 66.57643  ? 113 SER A OG  1 
ATOM   769  N N   . GLY A 1 107 ? 14.09625  -4.32240  -20.38967 1.000 57.72955  ? 114 GLY A N   1 
ATOM   770  C CA  . GLY A 1 107 ? 13.26257  -4.47288  -19.20945 1.000 56.04240  ? 114 GLY A CA  1 
ATOM   771  C C   . GLY A 1 107 ? 13.81158  -5.49736  -18.23444 1.000 54.29767  ? 114 GLY A C   1 
ATOM   772  O O   . GLY A 1 107 ? 13.68643  -5.33629  -17.01911 1.000 55.90071  ? 114 GLY A O   1 
ATOM   773  N N   . THR A 1 108 ? 14.42574  -6.56342  -18.75273 1.000 54.01005  ? 115 THR A N   1 
ATOM   774  C CA  . THR A 1 108 ? 15.05683  -7.55493  -17.88478 1.000 55.44483  ? 115 THR A CA  1 
ATOM   775  C C   . THR A 1 108 ? 16.26840  -6.96971  -17.17381 1.000 55.34842  ? 115 THR A C   1 
ATOM   776  O O   . THR A 1 108 ? 16.44873  -7.17122  -15.96660 1.000 53.70515  ? 115 THR A O   1 
ATOM   777  C CB  . THR A 1 108 ? 15.46434  -8.78797  -18.69217 1.000 53.65915  ? 115 THR A CB  1 
ATOM   778  O OG1 . THR A 1 108 ? 14.40091  -9.15541  -19.58041 1.000 55.94288  ? 115 THR A OG1 1 
ATOM   779  C CG2 . THR A 1 108 ? 15.78976  -9.94910  -17.76717 1.000 54.66787  ? 115 THR A CG2 1 
ATOM   780  N N   . LYS A 1 109 ? 17.11640  -6.24970  -17.91251 1.000 53.58550  ? 116 LYS A N   1 
ATOM   781  C CA  . LYS A 1 109 ? 18.27665  -5.60574  -17.30571 1.000 55.89000  ? 116 LYS A CA  1 
ATOM   782  C C   . LYS A 1 109 ? 17.85501  -4.67819  -16.17329 1.000 60.88825  ? 116 LYS A C   1 
ATOM   783  O O   . LYS A 1 109 ? 18.36960  -4.76972  -15.05383 1.000 62.42292  ? 116 LYS A O   1 
ATOM   784  C CB  . LYS A 1 109 ? 19.06352  -4.84235  -18.37297 1.000 56.84654  ? 116 LYS A CB  1 
ATOM   785  C CG  . LYS A 1 109 ? 20.49908  -4.51341  -17.99269 1.000 63.03431  ? 116 LYS A CG  1 
ATOM   786  C CD  . LYS A 1 109 ? 21.07570  -3.44618  -18.91306 1.000 66.97053  ? 116 LYS A CD  1 
ATOM   787  C CE  . LYS A 1 109 ? 21.84576  -2.39213  -18.13657 1.000 70.70166  ? 116 LYS A CE  1 
ATOM   788  N NZ  . LYS A 1 109 ? 23.17673  -2.87736  -17.67586 1.000 70.49289  ? 116 LYS A NZ  1 
ATOM   789  N N   . ALA A 1 110 ? 16.88900  -3.79773  -16.44183 1.000 56.34825  ? 117 ALA A N   1 
ATOM   790  C CA  . ALA A 1 110 ? 16.42796  -2.86896  -15.41596 1.000 58.12757  ? 117 ALA A CA  1 
ATOM   791  C C   . ALA A 1 110 ? 15.77759  -3.60434  -14.24990 1.000 57.70527  ? 117 ALA A C   1 
ATOM   792  O O   . ALA A 1 110 ? 15.92805  -3.20008  -13.09122 1.000 64.41346  ? 117 ALA A O   1 
ATOM   793  C CB  . ALA A 1 110 ? 15.45550  -1.85931  -16.02540 1.000 50.46733  ? 117 ALA A CB  1 
ATOM   794  N N   . PHE A 1 111 ? 15.05636  -4.69145  -14.53468 1.000 54.28987  ? 118 PHE A N   1 
ATOM   795  C CA  . PHE A 1 111 ? 14.34273  -5.40481  -13.48007 1.000 56.03857  ? 118 PHE A CA  1 
ATOM   796  C C   . PHE A 1 111 ? 15.29757  -6.09341  -12.51468 1.000 57.32725  ? 118 PHE A C   1 
ATOM   797  O O   . PHE A 1 111 ? 15.01563  -6.16468  -11.31322 1.000 55.16694  ? 118 PHE A O   1 
ATOM   798  C CB  . PHE A 1 111 ? 13.38211  -6.42434  -14.09451 1.000 53.09382  ? 118 PHE A CB  1 
ATOM   799  C CG  . PHE A 1 111 ? 12.63838  -7.24793  -13.08167 1.000 52.88527  ? 118 PHE A CG  1 
ATOM   800  C CD1 . PHE A 1 111 ? 11.89811  -6.63759  -12.08403 1.000 52.37781  ? 118 PHE A CD1 1 
ATOM   801  C CD2 . PHE A 1 111 ? 12.66531  -8.63212  -13.13747 1.000 51.68354  ? 118 PHE A CD2 1 
ATOM   802  C CE1 . PHE A 1 111 ? 11.20875  -7.39149  -11.15181 1.000 55.74857  ? 118 PHE A CE1 1 
ATOM   803  C CE2 . PHE A 1 111 ? 11.97663  -9.39177  -12.21264 1.000 50.45350  ? 118 PHE A CE2 1 
ATOM   804  C CZ  . PHE A 1 111 ? 11.24707  -8.77068  -11.21721 1.000 56.99734  ? 118 PHE A CZ  1 
ATOM   805  N N   . MET A 1 112 ? 16.42850  -6.59666  -13.01184 1.000 57.50308  ? 119 MET A N   1 
ATOM   806  C CA  . MET A 1 112 ? 17.35485  -7.32068  -12.14986 1.000 60.22756  ? 119 MET A CA  1 
ATOM   807  C C   . MET A 1 112 ? 18.24267  -6.38401  -11.34139 1.000 61.92364  ? 119 MET A C   1 
ATOM   808  O O   . MET A 1 112 ? 18.64751  -6.73565  -10.22710 1.000 63.87106  ? 119 MET A O   1 
ATOM   809  C CB  . MET A 1 112 ? 18.20202  -8.28354  -12.98271 1.000 56.57001  ? 119 MET A CB  1 
ATOM   810  C CG  . MET A 1 112 ? 17.48920  -9.59084  -13.28288 1.000 53.71625  ? 119 MET A CG  1 
ATOM   811  S SD  . MET A 1 112 ? 18.05637  -10.39990 -14.78572 1.000 74.27731  ? 119 MET A SD  1 
ATOM   812  C CE  . MET A 1 112 ? 18.11290  -12.10085 -14.23298 1.000 60.39008  ? 119 MET A CE  1 
ATOM   813  N N   . GLU A 1 113 ? 18.55738  -5.20136  -11.87680 1.000 62.37046  ? 120 GLU A N   1 
ATOM   814  C CA  . GLU A 1 113 ? 19.24489  -4.19391  -11.07523 1.000 67.49947  ? 120 GLU A CA  1 
ATOM   815  C C   . GLU A 1 113 ? 18.38549  -3.75875  -9.89707  1.000 67.81925  ? 120 GLU A C   1 
ATOM   816  O O   . GLU A 1 113 ? 18.89181  -3.56510  -8.78515  1.000 71.88688  ? 120 GLU A O   1 
ATOM   817  C CB  . GLU A 1 113 ? 19.60929  -2.98890  -11.94050 1.000 69.72122  ? 120 GLU A CB  1 
ATOM   818  C CG  . GLU A 1 113 ? 20.32735  -3.34424  -13.22654 1.000 69.37265  ? 120 GLU A CG  1 
ATOM   819  C CD  . GLU A 1 113 ? 21.16108  -2.20232  -13.76650 1.000 81.59574  ? 120 GLU A CD  1 
ATOM   820  O OE1 . GLU A 1 113 ? 21.39705  -1.22702  -13.02183 1.000 90.39413  ? 120 GLU A OE1 1 
ATOM   821  O OE2 . GLU A 1 113 ? 21.57575  -2.27598  -14.94194 1.000 77.96629  ? 120 GLU A OE2 1 
ATOM   822  N N   . ALA A 1 114 ? 17.07873  -3.60298  -10.12332 1.000 64.48925  ? 121 ALA A N   1 
ATOM   823  C CA  . ALA A 1 114 ? 16.17826  -3.22919  -9.03916  1.000 64.94024  ? 121 ALA A CA  1 
ATOM   824  C C   . ALA A 1 114 ? 16.09437  -4.32927  -7.98837  1.000 66.88785  ? 121 ALA A C   1 
ATOM   825  O O   . ALA A 1 114 ? 15.98425  -4.04460  -6.79006  1.000 68.40173  ? 121 ALA A O   1 
ATOM   826  C CB  . ALA A 1 114 ? 14.79227  -2.90598  -9.59829  1.000 56.37270  ? 121 ALA A CB  1 
ATOM   827  N N   . LEU A 1 115 ? 16.15424  -5.59345  -8.41746  1.000 65.60875  ? 122 LEU A N   1 
ATOM   828  C CA  . LEU A 1 115 ? 16.07803  -6.70145  -7.47009  1.000 64.70609  ? 122 LEU A CA  1 
ATOM   829  C C   . LEU A 1 115 ? 17.25344  -6.68306  -6.50139  1.000 73.57403  ? 122 LEU A C   1 
ATOM   830  O O   . LEU A 1 115 ? 17.07883  -6.91115  -5.29894  1.000 77.87957  ? 122 LEU A O   1 
ATOM   831  C CB  . LEU A 1 115 ? 16.01733  -8.02969  -8.22141  1.000 59.07315  ? 122 LEU A CB  1 
ATOM   832  C CG  . LEU A 1 115 ? 14.65039  -8.37788  -8.81061  1.000 61.41403  ? 122 LEU A CG  1 
ATOM   833  C CD1 . LEU A 1 115 ? 14.73548  -9.63473  -9.66807  1.000 55.23470  ? 122 LEU A CD1 1 
ATOM   834  C CD2 . LEU A 1 115 ? 13.61014  -8.53495  -7.70894  1.000 60.95327  ? 122 LEU A CD2 1 
ATOM   835  N N   . GLN A 1 116 ? 18.45902  -6.40330  -7.00219  1.000 74.06531  ? 123 GLN A N   1 
ATOM   836  C CA  . GLN A 1 116 ? 19.61079  -6.26587  -6.11904  1.000 72.89946  ? 123 GLN A CA  1 
ATOM   837  C C   . GLN A 1 116 ? 19.57697  -4.96380  -5.33141  1.000 77.42285  ? 123 GLN A C   1 
ATOM   838  O O   . GLN A 1 116 ? 20.29552  -4.83772  -4.33422  1.000 78.90226  ? 123 GLN A O   1 
ATOM   839  C CB  . GLN A 1 116 ? 20.90992  -6.35922  -6.92348  1.000 76.82307  ? 123 GLN A CB  1 
ATOM   840  C CG  . GLN A 1 116 ? 21.43396  -7.77898  -7.12564  1.000 81.36727  ? 123 GLN A CG  1 
ATOM   841  C CD  . GLN A 1 116 ? 22.04259  -8.39244  -5.86980  1.000 96.58700  ? 123 GLN A CD  1 
ATOM   842  O OE1 . GLN A 1 116 ? 21.70371  -8.02213  -4.74454  1.000 96.16507  ? 123 GLN A OE1 1 
ATOM   843  N NE2 . GLN A 1 116 ? 22.95157  -9.34223  -6.06473  1.000 100.14106 ? 123 GLN A NE2 1 
ATOM   844  N N   . ALA A 1 117 ? 18.75907  -3.99889  -5.75293  1.000 74.74753  ? 124 ALA A N   1 
ATOM   845  C CA  . ALA A 1 117 ? 18.61382  -2.74149  -5.03211  1.000 75.37057  ? 124 ALA A CA  1 
ATOM   846  C C   . ALA A 1 117 ? 17.58720  -2.81723  -3.90965  1.000 75.54519  ? 124 ALA A C   1 
ATOM   847  O O   . ALA A 1 117 ? 17.55394  -1.91952  -3.06095  1.000 81.74985  ? 124 ALA A O   1 
ATOM   848  C CB  . ALA A 1 117 ? 18.23432  -1.61915  -6.00235  1.000 73.53647  ? 124 ALA A CB  1 
ATOM   849  N N   . GLY A 1 118 ? 16.75180  -3.85224  -3.88477  1.000 76.09153  ? 125 GLY A N   1 
ATOM   850  C CA  . GLY A 1 118 ? 15.80311  -4.02249  -2.80274  1.000 72.74403  ? 125 GLY A CA  1 
ATOM   851  C C   . GLY A 1 118 ? 14.40004  -4.34481  -3.27194  1.000 73.29151  ? 125 GLY A C   1 
ATOM   852  O O   . GLY A 1 118 ? 13.52121  -4.64910  -2.45978  1.000 78.48503  ? 125 GLY A O   1 
ATOM   853  N N   . ALA A 1 119 ? 14.17545  -4.27773  -4.58153  1.000 72.57501  ? 126 ALA A N   1 
ATOM   854  C CA  . ALA A 1 119 ? 12.86402  -4.57623  -5.13338  1.000 70.48067  ? 126 ALA A CA  1 
ATOM   855  C C   . ALA A 1 119 ? 12.55335  -6.06619  -5.00286  1.000 72.41020  ? 126 ALA A C   1 
ATOM   856  O O   . ALA A 1 119 ? 13.42911  -6.89477  -4.73957  1.000 74.93814  ? 126 ALA A O   1 
ATOM   857  C CB  . ALA A 1 119 ? 12.78683  -4.14697  -6.59713  1.000 62.77877  ? 126 ALA A CB  1 
ATOM   858  N N   . ASP A 1 120 ? 11.28099  -6.40270  -5.18818  1.000 67.65373  ? 127 ASP A N   1 
ATOM   859  C CA  . ASP A 1 120 ? 10.82341  -7.78123  -5.14835  1.000 67.58118  ? 127 ASP A CA  1 
ATOM   860  C C   . ASP A 1 120 ? 10.11077  -8.12121  -6.45316  1.000 63.83357  ? 127 ASP A C   1 
ATOM   861  O O   . ASP A 1 120 ? 9.77772   -7.24726  -7.26035  1.000 59.92726  ? 127 ASP A O   1 
ATOM   862  C CB  . ASP A 1 120 ? 9.91308   -8.02976  -3.93581  1.000 71.71740  ? 127 ASP A CB  1 
ATOM   863  C CG  . ASP A 1 120 ? 8.46416   -7.67090  -4.20332  1.000 71.36269  ? 127 ASP A CG  1 
ATOM   864  O OD1 . ASP A 1 120 ? 8.17379   -6.48296  -4.45391  1.000 73.25697  ? 127 ASP A OD1 1 
ATOM   865  O OD2 . ASP A 1 120 ? 7.61436   -8.58298  -4.15275  1.000 68.11439  ? 127 ASP A OD2 1 
ATOM   866  N N   . ILE A 1 121 ? 9.88203   -9.42306  -6.64513  1.000 60.38411  ? 128 ILE A N   1 
ATOM   867  C CA  . ILE A 1 121 ? 9.40083   -9.95491  -7.91636  1.000 58.99292  ? 128 ILE A CA  1 
ATOM   868  C C   . ILE A 1 121 ? 8.02718   -9.40315  -8.29240  1.000 61.34290  ? 128 ILE A C   1 
ATOM   869  O O   . ILE A 1 121 ? 7.67176   -9.36986  -9.47753  1.000 53.97768  ? 128 ILE A O   1 
ATOM   870  C CB  . ILE A 1 121 ? 9.41935   -11.50108 -7.83108  1.000 58.41300  ? 128 ILE A CB  1 
ATOM   871  C CG1 . ILE A 1 121 ? 10.83941  -12.02120 -8.07117  1.000 59.75068  ? 128 ILE A CG1 1 
ATOM   872  C CG2 . ILE A 1 121 ? 8.45193   -12.14606 -8.81641  1.000 62.07447  ? 128 ILE A CG2 1 
ATOM   873  C CD1 . ILE A 1 121 ? 11.24105  -13.15256 -7.15353  1.000 57.83744  ? 128 ILE A CD1 1 
ATOM   874  N N   . SER A 1 122 ? 7.26473   -8.90831  -7.31572  1.000 61.06881  ? 129 SER A N   1 
ATOM   875  C CA  . SER A 1 122 ? 5.88925   -8.49930  -7.57712  1.000 58.31077  ? 129 SER A CA  1 
ATOM   876  C C   . SER A 1 122 ? 5.78252   -7.26149  -8.46508  1.000 58.31145  ? 129 SER A C   1 
ATOM   877  O O   . SER A 1 122 ? 4.70520   -7.01241  -9.01588  1.000 56.47059  ? 129 SER A O   1 
ATOM   878  C CB  . SER A 1 122 ? 5.15696   -8.25580  -6.25781  1.000 56.58232  ? 129 SER A CB  1 
ATOM   879  O OG  . SER A 1 122 ? 5.38368   -6.94123  -5.78467  1.000 67.58851  ? 129 SER A OG  1 
ATOM   880  N N   . MET A 1 123 ? 6.85523   -6.48243  -8.62503  1.000 55.25815  ? 130 MET A N   1 
ATOM   881  C CA  . MET A 1 123 ? 6.83740   -5.32727  -9.51580  1.000 55.42558  ? 130 MET A CA  1 
ATOM   882  C C   . MET A 1 123 ? 7.39553   -5.64537  -10.89937 1.000 53.89895  ? 130 MET A C   1 
ATOM   883  O O   . MET A 1 123 ? 7.87079   -4.73881  -11.59244 1.000 50.83354  ? 130 MET A O   1 
ATOM   884  C CB  . MET A 1 123 ? 7.60637   -4.15152  -8.90745  1.000 58.64350  ? 130 MET A CB  1 
ATOM   885  C CG  . MET A 1 123 ? 7.24619   -3.80695  -7.47759  1.000 60.25214  ? 130 MET A CG  1 
ATOM   886  S SD  . MET A 1 123 ? 8.47620   -2.71441  -6.73633  1.000 74.43274  ? 130 MET A SD  1 
ATOM   887  C CE  . MET A 1 123 ? 9.29284   -3.79938  -5.57684  1.000 70.15910  ? 130 MET A CE  1 
ATOM   888  N N   . ILE A 1 124 ? 7.34045   -6.91226  -11.31636 1.000 51.79896  ? 131 ILE A N   1 
ATOM   889  C CA  . ILE A 1 124 ? 7.88293   -7.30021  -12.61454 1.000 48.37304  ? 131 ILE A CA  1 
ATOM   890  C C   . ILE A 1 124 ? 7.12476   -6.62462  -13.75440 1.000 51.25852  ? 131 ILE A C   1 
ATOM   891  O O   . ILE A 1 124 ? 7.69136   -6.37482  -14.82640 1.000 51.83197  ? 131 ILE A O   1 
ATOM   892  C CB  . ILE A 1 124 ? 7.86521   -8.83752  -12.73640 1.000 49.88205  ? 131 ILE A CB  1 
ATOM   893  C CG1 . ILE A 1 124 ? 8.43196   -9.29075  -14.08199 1.000 49.54565  ? 131 ILE A CG1 1 
ATOM   894  C CG2 . ILE A 1 124 ? 6.45486   -9.37861  -12.53031 1.000 44.43322  ? 131 ILE A CG2 1 
ATOM   895  C CD1 . ILE A 1 124 ? 8.54801   -10.79041 -14.20647 1.000 45.78358  ? 131 ILE A CD1 1 
ATOM   896  N N   . GLY A 1 125 ? 5.84765   -6.29693  -13.54178 1.000 54.50634  ? 132 GLY A N   1 
ATOM   897  C CA  . GLY A 1 125 ? 5.06148   -5.68791  -14.60234 1.000 51.54811  ? 132 GLY A CA  1 
ATOM   898  C C   . GLY A 1 125 ? 5.54533   -4.30734  -15.00070 1.000 57.36235  ? 132 GLY A C   1 
ATOM   899  O O   . GLY A 1 125 ? 5.44129   -3.92328  -16.16951 1.000 52.69483  ? 132 GLY A O   1 
ATOM   900  N N   . GLN A 1 126 ? 6.08078   -3.54318  -14.04412 1.000 54.23125  ? 133 GLN A N   1 
ATOM   901  C CA  . GLN A 1 126 ? 6.58794   -2.20674  -14.33856 1.000 56.87186  ? 133 GLN A CA  1 
ATOM   902  C C   . GLN A 1 126 ? 7.74943   -2.21934  -15.32217 1.000 53.63530  ? 133 GLN A C   1 
ATOM   903  O O   . GLN A 1 126 ? 8.12158   -1.15561  -15.82908 1.000 56.99667  ? 133 GLN A O   1 
ATOM   904  C CB  . GLN A 1 126 ? 7.03383   -1.50741  -13.05221 1.000 57.58059  ? 133 GLN A CB  1 
ATOM   905  C CG  . GLN A 1 126 ? 6.03148   -1.55399  -11.91293 1.000 54.47202  ? 133 GLN A CG  1 
ATOM   906  C CD  . GLN A 1 126 ? 6.47622   -0.72701  -10.72031 1.000 61.93319  ? 133 GLN A CD  1 
ATOM   907  O OE1 . GLN A 1 126 ? 6.38330   -1.16655  -9.57306  1.000 68.71505  ? 133 GLN A OE1 1 
ATOM   908  N NE2 . GLN A 1 126 ? 6.96508   0.47943   -10.98767 1.000 61.84660  ? 133 GLN A NE2 1 
ATOM   909  N N   . PHE A 1 127 ? 8.33402   -3.38383  -15.59570 1.000 53.13941  ? 134 PHE A N   1 
ATOM   910  C CA  . PHE A 1 127 ? 9.45958   -3.50394  -16.51084 1.000 53.34190  ? 134 PHE A CA  1 
ATOM   911  C C   . PHE A 1 127 ? 9.07734   -4.20435  -17.80844 1.000 49.98418  ? 134 PHE A C   1 
ATOM   912  O O   . PHE A 1 127 ? 9.95246   -4.47748  -18.63613 1.000 49.71897  ? 134 PHE A O   1 
ATOM   913  C CB  . PHE A 1 127 ? 10.61506  -4.23109  -15.81989 1.000 52.72203  ? 134 PHE A CB  1 
ATOM   914  C CG  . PHE A 1 127 ? 11.05661  -3.57467  -14.54015 1.000 56.65039  ? 134 PHE A CG  1 
ATOM   915  C CD1 . PHE A 1 127 ? 10.41891  -3.86108  -13.34488 1.000 54.52570  ? 134 PHE A CD1 1 
ATOM   916  C CD2 . PHE A 1 127 ? 12.10114  -2.66442  -14.53197 1.000 53.74084  ? 134 PHE A CD2 1 
ATOM   917  C CE1 . PHE A 1 127 ? 10.81483  -3.25805  -12.16729 1.000 52.80719  ? 134 PHE A CE1 1 
ATOM   918  C CE2 . PHE A 1 127 ? 12.50332  -2.05791  -13.35118 1.000 53.07300  ? 134 PHE A CE2 1 
ATOM   919  C CZ  . PHE A 1 127 ? 11.85742  -2.35575  -12.16996 1.000 55.15656  ? 134 PHE A CZ  1 
ATOM   920  N N   . GLY A 1 128 ? 7.79138   -4.50048  -18.00223 1.000 53.07948  ? 135 GLY A N   1 
ATOM   921  C CA  . GLY A 1 128 ? 7.28303   -5.03371  -19.24915 1.000 48.63765  ? 135 GLY A CA  1 
ATOM   922  C C   . GLY A 1 128 ? 7.50222   -6.51257  -19.47500 1.000 48.62046  ? 135 GLY A C   1 
ATOM   923  O O   . GLY A 1 128 ? 7.18040   -7.00647  -20.56352 1.000 49.75389  ? 135 GLY A O   1 
ATOM   924  N N   . VAL A 1 129 ? 8.02517   -7.23969  -18.49001 1.000 52.54663  ? 136 VAL A N   1 
ATOM   925  C CA  . VAL A 1 129 ? 8.34653   -8.65105  -18.67021 1.000 48.21442  ? 136 VAL A CA  1 
ATOM   926  C C   . VAL A 1 129 ? 7.47813   -9.50855  -17.75781 1.000 46.40290  ? 136 VAL A C   1 
ATOM   927  O O   . VAL A 1 129 ? 7.90193   -10.57787 -17.30604 1.000 42.96755  ? 136 VAL A O   1 
ATOM   928  C CB  . VAL A 1 129 ? 9.84125   -8.90885  -18.40993 1.000 43.05096  ? 136 VAL A CB  1 
ATOM   929  C CG1 . VAL A 1 129 ? 10.67257  -8.35464  -19.54897 1.000 49.26639  ? 136 VAL A CG1 1 
ATOM   930  C CG2 . VAL A 1 129 ? 10.26190  -8.27801  -17.09387 1.000 46.60733  ? 136 VAL A CG2 1 
ATOM   931  N N   . GLY A 1 130 ? 6.25036   -9.05524  -17.49472 1.000 46.73688  ? 137 GLY A N   1 
ATOM   932  C CA  . GLY A 1 130 ? 5.37476   -9.75559  -16.57007 1.000 41.39586  ? 137 GLY A CA  1 
ATOM   933  C C   . GLY A 1 130 ? 4.92349   -11.12540 -17.03536 1.000 41.35586  ? 137 GLY A C   1 
ATOM   934  O O   . GLY A 1 130 ? 4.48501   -11.92978 -16.20717 1.000 46.55952  ? 137 GLY A O   1 
ATOM   935  N N   . PHE A 1 131 ? 5.01835   -11.41039 -18.33715 1.000 39.99364  ? 138 PHE A N   1 
ATOM   936  C CA  . PHE A 1 131 ? 4.58141   -12.70877 -18.84523 1.000 38.03092  ? 138 PHE A CA  1 
ATOM   937  C C   . PHE A 1 131 ? 5.36127   -13.84800 -18.20234 1.000 41.11709  ? 138 PHE A C   1 
ATOM   938  O O   . PHE A 1 131 ? 4.80120   -14.91551 -17.92595 1.000 40.17064  ? 138 PHE A O   1 
ATOM   939  C CB  . PHE A 1 131 ? 4.73054   -12.76012 -20.36780 1.000 36.18482  ? 138 PHE A CB  1 
ATOM   940  C CG  . PHE A 1 131 ? 4.70840   -14.15790 -20.93571 1.000 36.35929  ? 138 PHE A CG  1 
ATOM   941  C CD1 . PHE A 1 131 ? 3.50434   -14.79715 -21.18661 1.000 36.39487  ? 138 PHE A CD1 1 
ATOM   942  C CD2 . PHE A 1 131 ? 5.88883   -14.82851 -21.22464 1.000 35.82747  ? 138 PHE A CD2 1 
ATOM   943  C CE1 . PHE A 1 131 ? 3.47659   -16.07982 -21.70488 1.000 35.28644  ? 138 PHE A CE1 1 
ATOM   944  C CE2 . PHE A 1 131 ? 5.86659   -16.10975 -21.74485 1.000 35.24561  ? 138 PHE A CE2 1 
ATOM   945  C CZ  . PHE A 1 131 ? 4.65922   -16.73482 -21.98712 1.000 37.83300  ? 138 PHE A CZ  1 
ATOM   946  N N   . TYR A 1 132 ? 6.65692   -13.64133 -17.95732 1.000 39.24758  ? 139 TYR A N   1 
ATOM   947  C CA  . TYR A 1 132 ? 7.50465   -14.69913 -17.42238 1.000 37.63024  ? 139 TYR A CA  1 
ATOM   948  C C   . TYR A 1 132 ? 7.18341   -15.04397 -15.97471 1.000 43.25458  ? 139 TYR A C   1 
ATOM   949  O O   . TYR A 1 132 ? 7.71434   -16.03498 -15.46101 1.000 41.80656  ? 139 TYR A O   1 
ATOM   950  C CB  . TYR A 1 132 ? 8.97068   -14.29702 -17.56462 1.000 39.85896  ? 139 TYR A CB  1 
ATOM   951  C CG  . TYR A 1 132 ? 9.39758   -14.17635 -19.00654 1.000 44.96207  ? 139 TYR A CG  1 
ATOM   952  C CD1 . TYR A 1 132 ? 9.43721   -15.29220 -19.83257 1.000 45.97312  ? 139 TYR A CD1 1 
ATOM   953  C CD2 . TYR A 1 132 ? 9.73088   -12.94483 -19.55285 1.000 48.50203  ? 139 TYR A CD2 1 
ATOM   954  C CE1 . TYR A 1 132 ? 9.81616   -15.18866 -21.16015 1.000 49.36488  ? 139 TYR A CE1 1 
ATOM   955  C CE2 . TYR A 1 132 ? 10.11154  -12.83046 -20.88157 1.000 50.70737  ? 139 TYR A CE2 1 
ATOM   956  C CZ  . TYR A 1 132 ? 10.15152  -13.95502 -21.67868 1.000 52.56959  ? 139 TYR A CZ  1 
ATOM   957  O OH  . TYR A 1 132 ? 10.52938  -13.84531 -22.99758 1.000 63.17202  ? 139 TYR A OH  1 
ATOM   958  N N   . SER A 1 133 ? 6.33214   -14.26034 -15.30870 1.000 39.90138  ? 140 SER A N   1 
ATOM   959  C CA  . SER A 1 133 ? 5.82435   -14.64879 -13.99923 1.000 42.04237  ? 140 SER A CA  1 
ATOM   960  C C   . SER A 1 133 ? 4.97635   -15.90948 -14.06369 1.000 41.74451  ? 140 SER A C   1 
ATOM   961  O O   . SER A 1 133 ? 4.66492   -16.48421 -13.01406 1.000 43.37864  ? 140 SER A O   1 
ATOM   962  C CB  . SER A 1 133 ? 5.00910   -13.50765 -13.39377 1.000 38.51906  ? 140 SER A CB  1 
ATOM   963  O OG  . SER A 1 133 ? 3.76248   -13.37793 -14.05396 1.000 39.68562  ? 140 SER A OG  1 
ATOM   964  N N   . ALA A 1 134 ? 4.59419   -16.34410 -15.26732 1.000 38.28198  ? 141 ALA A N   1 
ATOM   965  C CA  . ALA A 1 134 ? 3.87784   -17.60345 -15.42380 1.000 39.10909  ? 141 ALA A CA  1 
ATOM   966  C C   . ALA A 1 134 ? 4.67320   -18.77560 -14.86830 1.000 38.44266  ? 141 ALA A C   1 
ATOM   967  O O   . ALA A 1 134 ? 4.08844   -19.76560 -14.41220 1.000 34.49052  ? 141 ALA A O   1 
ATOM   968  C CB  . ALA A 1 134 ? 3.55834   -17.83712 -16.90099 1.000 32.93189  ? 141 ALA A CB  1 
ATOM   969  N N   . TYR A 1 135 ? 6.00204   -18.68320 -14.89329 1.000 37.52061  ? 142 TYR A N   1 
ATOM   970  C CA  . TYR A 1 135 ? 6.86643   -19.75744 -14.42455 1.000 39.71098  ? 142 TYR A CA  1 
ATOM   971  C C   . TYR A 1 135 ? 7.04926   -19.75142 -12.91411 1.000 44.94071  ? 142 TYR A C   1 
ATOM   972  O O   . TYR A 1 135 ? 7.89521   -20.49013 -12.39722 1.000 42.93916  ? 142 TYR A O   1 
ATOM   973  C CB  . TYR A 1 135 ? 8.21368   -19.68067 -15.14304 1.000 37.82840  ? 142 TYR A CB  1 
ATOM   974  C CG  . TYR A 1 135 ? 8.07449   -20.05468 -16.59915 1.000 40.77041  ? 142 TYR A CG  1 
ATOM   975  C CD1 . TYR A 1 135 ? 8.11218   -21.38349 -17.00246 1.000 37.28282  ? 142 TYR A CD1 1 
ATOM   976  C CD2 . TYR A 1 135 ? 7.85338   -19.08324 -17.56352 1.000 39.31566  ? 142 TYR A CD2 1 
ATOM   977  C CE1 . TYR A 1 135 ? 7.96640   -21.73046 -18.32988 1.000 37.75408  ? 142 TYR A CE1 1 
ATOM   978  C CE2 . TYR A 1 135 ? 7.70365   -19.41870 -18.89328 1.000 39.51653  ? 142 TYR A CE2 1 
ATOM   979  C CZ  . TYR A 1 135 ? 7.76143   -20.74420 -19.27116 1.000 42.92364  ? 142 TYR A CZ  1 
ATOM   980  O OH  . TYR A 1 135 ? 7.61094   -21.08815 -20.59638 1.000 40.94465  ? 142 TYR A OH  1 
ATOM   981  N N   . LEU A 1 136 ? 6.27983   -18.92810 -12.20104 1.000 43.30608  ? 143 LEU A N   1 
ATOM   982  C CA  . LEU A 1 136 ? 6.14645   -19.11154 -10.76322 1.000 44.02303  ? 143 LEU A CA  1 
ATOM   983  C C   . LEU A 1 136 ? 5.28652   -20.32632 -10.45009 1.000 42.10695  ? 143 LEU A C   1 
ATOM   984  O O   . LEU A 1 136 ? 5.49708   -20.98993 -9.42892  1.000 37.87893  ? 143 LEU A O   1 
ATOM   985  C CB  . LEU A 1 136 ? 5.53897   -17.86060 -10.12304 1.000 43.82288  ? 143 LEU A CB  1 
ATOM   986  C CG  . LEU A 1 136 ? 6.36754   -16.57709 -10.06443 1.000 43.79754  ? 143 LEU A CG  1 
ATOM   987  C CD1 . LEU A 1 136 ? 5.49408   -15.40975 -9.62512  1.000 39.50854  ? 143 LEU A CD1 1 
ATOM   988  C CD2 . LEU A 1 136 ? 7.54485   -16.75871 -9.12507  1.000 38.46819  ? 143 LEU A CD2 1 
ATOM   989  N N   . VAL A 1 137 ? 4.32149   -20.63195 -11.31432 1.000 38.11779  ? 144 VAL A N   1 
ATOM   990  C CA  . VAL A 1 137 ? 3.35586   -21.69298 -11.06004 1.000 40.50996  ? 144 VAL A CA  1 
ATOM   991  C C   . VAL A 1 137 ? 3.33460   -22.75455 -12.14777 1.000 45.85394  ? 144 VAL A C   1 
ATOM   992  O O   . VAL A 1 137 ? 2.72050   -23.81173 -11.94284 1.000 48.31986  ? 144 VAL A O   1 
ATOM   993  C CB  . VAL A 1 137 ? 1.93515   -21.12084 -10.86192 1.000 43.18377  ? 144 VAL A CB  1 
ATOM   994  C CG1 . VAL A 1 137 ? 1.87744   -20.25431 -9.60957  1.000 39.72491  ? 144 VAL A CG1 1 
ATOM   995  C CG2 . VAL A 1 137 ? 1.51690   -20.32664 -12.08793 1.000 37.23337  ? 144 VAL A CG2 1 
ATOM   996  N N   . ALA A 1 138 ? 3.97137   -22.52489 -13.29147 1.000 39.40576  ? 145 ALA A N   1 
ATOM   997  C CA  . ALA A 1 138 ? 3.91347   -23.45090 -14.41194 1.000 43.09797  ? 145 ALA A CA  1 
ATOM   998  C C   . ALA A 1 138 ? 5.26607   -24.11397 -14.63099 1.000 42.47077  ? 145 ALA A C   1 
ATOM   999  O O   . ALA A 1 138 ? 6.31093   -23.46124 -14.54603 1.000 42.49632  ? 145 ALA A O   1 
ATOM   1000 C CB  . ALA A 1 138 ? 3.47279   -22.73337 -15.69071 1.000 39.98039  ? 145 ALA A CB  1 
ATOM   1001 N N   . GLU A 1 139 ? 5.23814   -25.42190 -14.89500 1.000 42.27692  ? 146 GLU A N   1 
ATOM   1002 C CA  . GLU A 1 139 ? 6.42307   -26.12046 -15.37364 1.000 48.61414  ? 146 GLU A CA  1 
ATOM   1003 C C   . GLU A 1 139 ? 6.58375   -26.00348 -16.88232 1.000 44.69227  ? 146 GLU A C   1 
ATOM   1004 O O   . GLU A 1 139 ? 7.68434   -26.22707 -17.39776 1.000 46.98899  ? 146 GLU A O   1 
ATOM   1005 C CB  . GLU A 1 139 ? 6.36680   -27.59743 -14.97416 1.000 44.13760  ? 146 GLU A CB  1 
ATOM   1006 C CG  . GLU A 1 139 ? 5.10045   -28.32596 -15.40989 1.000 52.64152  ? 146 GLU A CG  1 
ATOM   1007 C CD  . GLU A 1 139 ? 5.01969   -29.74396 -14.86422 1.000 70.58143  ? 146 GLU A CD  1 
ATOM   1008 O OE1 . GLU A 1 139 ? 5.64260   -30.01659 -13.81531 1.000 69.51073  ? 146 GLU A OE1 1 
ATOM   1009 O OE2 . GLU A 1 139 ? 4.34060   -30.58679 -15.49043 1.000 70.37574  ? 146 GLU A OE2 1 
ATOM   1010 N N   . LYS A 1 140 ? 5.51401   -25.65162 -17.59122 1.000 41.71326  ? 147 LYS A N   1 
ATOM   1011 C CA  . LYS A 1 140 ? 5.53020   -25.51222 -19.03800 1.000 41.43751  ? 147 LYS A CA  1 
ATOM   1012 C C   . LYS A 1 140 ? 4.39943   -24.57543 -19.43475 1.000 41.40626  ? 147 LYS A C   1 
ATOM   1013 O O   . LYS A 1 140 ? 3.33037   -24.57910 -18.81725 1.000 42.25787  ? 147 LYS A O   1 
ATOM   1014 C CB  . LYS A 1 140 ? 5.38399   -26.87408 -19.72865 1.000 41.56644  ? 147 LYS A CB  1 
ATOM   1015 C CG  . LYS A 1 140 ? 5.09394   -26.81413 -21.21861 1.000 44.56452  ? 147 LYS A CG  1 
ATOM   1016 C CD  . LYS A 1 140 ? 5.24857   -28.18866 -21.84612 1.000 47.12849  ? 147 LYS A CD  1 
ATOM   1017 C CE  . LYS A 1 140 ? 3.93259   -28.68254 -22.42399 1.000 44.32388  ? 147 LYS A CE  1 
ATOM   1018 N NZ  . LYS A 1 140 ? 3.97435   -30.14055 -22.73384 1.000 54.30875  ? 147 LYS A NZ  1 
ATOM   1019 N N   . VAL A 1 141 ? 4.64683   -23.75891 -20.45684 1.000 40.88104  ? 148 VAL A N   1 
ATOM   1020 C CA  . VAL A 1 141 ? 3.68169   -22.76976 -20.91973 1.000 37.36840  ? 148 VAL A CA  1 
ATOM   1021 C C   . VAL A 1 141 ? 3.51057   -22.92034 -22.42281 1.000 41.05075  ? 148 VAL A C   1 
ATOM   1022 O O   . VAL A 1 141 ? 4.49754   -22.92802 -23.16736 1.000 42.01200  ? 148 VAL A O   1 
ATOM   1023 C CB  . VAL A 1 141 ? 4.11482   -21.33338 -20.56460 1.000 39.36924  ? 148 VAL A CB  1 
ATOM   1024 C CG1 . VAL A 1 141 ? 3.11429   -20.32662 -21.10427 1.000 34.80081  ? 148 VAL A CG1 1 
ATOM   1025 C CG2 . VAL A 1 141 ? 4.26756   -21.17808 -19.05375 1.000 40.28021  ? 148 VAL A CG2 1 
ATOM   1026 N N   . THR A 1 142 ? 2.26153   -23.03151 -22.86439 1.000 40.33244  ? 149 THR A N   1 
ATOM   1027 C CA  . THR A 1 142 ? 1.91193   -23.06713 -24.27597 1.000 38.32507  ? 149 THR A CA  1 
ATOM   1028 C C   . THR A 1 142 ? 1.10300   -21.82490 -24.61855 1.000 39.34093  ? 149 THR A C   1 
ATOM   1029 O O   . THR A 1 142 ? 0.19291   -21.44474 -23.87572 1.000 41.67398  ? 149 THR A O   1 
ATOM   1030 C CB  . THR A 1 142 ? 1.10796   -24.32597 -24.61950 1.000 43.51003  ? 149 THR A CB  1 
ATOM   1031 O OG1 . THR A 1 142 ? 1.82111   -25.48735 -24.17716 1.000 47.93929  ? 149 THR A OG1 1 
ATOM   1032 C CG2 . THR A 1 142 ? 0.87541   -24.42153 -26.11980 1.000 42.29062  ? 149 THR A CG2 1 
ATOM   1033 N N   . VAL A 1 143 ? 1.43978   -21.18823 -25.73712 1.000 37.69456  ? 150 VAL A N   1 
ATOM   1034 C CA  . VAL A 1 143 ? 0.78797   -19.95598 -26.16612 1.000 36.58618  ? 150 VAL A CA  1 
ATOM   1035 C C   . VAL A 1 143 ? 0.31431   -20.14366 -27.60010 1.000 40.77656  ? 150 VAL A C   1 
ATOM   1036 O O   . VAL A 1 143 ? 1.13376   -20.22173 -28.52473 1.000 41.71820  ? 150 VAL A O   1 
ATOM   1037 C CB  . VAL A 1 143 ? 1.71406   -18.73656 -26.05148 1.000 40.52346  ? 150 VAL A CB  1 
ATOM   1038 C CG1 . VAL A 1 143 ? 0.99143   -17.47926 -26.51130 1.000 31.73726  ? 150 VAL A CG1 1 
ATOM   1039 C CG2 . VAL A 1 143 ? 2.20926   -18.58084 -24.61991 1.000 38.23726  ? 150 VAL A CG2 1 
ATOM   1040 N N   . ILE A 1 144 ? -1.00174  -20.21874 -27.78715 1.000 42.74193  ? 151 ILE A N   1 
ATOM   1041 C CA  . ILE A 1 144 ? -1.62151  -20.21669 -29.10630 1.000 40.06986  ? 151 ILE A CA  1 
ATOM   1042 C C   . ILE A 1 144 ? -2.09872  -18.80001 -29.38879 1.000 43.82131  ? 151 ILE A C   1 
ATOM   1043 O O   . ILE A 1 144 ? -2.81259  -18.20658 -28.57075 1.000 45.66870  ? 151 ILE A O   1 
ATOM   1044 C CB  . ILE A 1 144 ? -2.78914  -21.21592 -29.18151 1.000 45.01720  ? 151 ILE A CB  1 
ATOM   1045 C CG1 . ILE A 1 144 ? -2.46490  -22.49831 -28.40855 1.000 41.55657  ? 151 ILE A CG1 1 
ATOM   1046 C CG2 . ILE A 1 144 ? -3.12110  -21.53428 -30.63421 1.000 43.65416  ? 151 ILE A CG2 1 
ATOM   1047 C CD1 . ILE A 1 144 ? -1.37192  -23.33018 -29.03033 1.000 43.72908  ? 151 ILE A CD1 1 
ATOM   1048 N N   . THR A 1 145 ? -1.70293  -18.25063 -30.53527 1.000 40.11930  ? 152 THR A N   1 
ATOM   1049 C CA  . THR A 1 145 ? -2.01922  -16.86439 -30.84542 1.000 44.15889  ? 152 THR A CA  1 
ATOM   1050 C C   . THR A 1 145 ? -2.27488  -16.72095 -32.33812 1.000 43.89078  ? 152 THR A C   1 
ATOM   1051 O O   . THR A 1 145 ? -1.72371  -17.46424 -33.15500 1.000 47.89723  ? 152 THR A O   1 
ATOM   1052 C CB  . THR A 1 145 ? -0.90310  -15.91197 -30.39250 1.000 41.91011  ? 152 THR A CB  1 
ATOM   1053 O OG1 . THR A 1 145 ? -1.34808  -14.55559 -30.51753 1.000 41.35606  ? 152 THR A OG1 1 
ATOM   1054 C CG2 . THR A 1 145 ? 0.35831   -16.11017 -31.21782 1.000 41.61140  ? 152 THR A CG2 1 
ATOM   1055 N N   . LYS A 1 146 ? -3.12576  -15.75540 -32.68396 1.000 44.81284  ? 153 LYS A N   1 
ATOM   1056 C CA  . LYS A 1 146 ? -3.51532  -15.51532 -34.07170 1.000 43.34656  ? 153 LYS A CA  1 
ATOM   1057 C C   . LYS A 1 146 ? -3.66471  -14.01530 -34.28503 1.000 46.82467  ? 153 LYS A C   1 
ATOM   1058 O O   . LYS A 1 146 ? -4.53977  -13.38420 -33.68373 1.000 45.75639  ? 153 LYS A O   1 
ATOM   1059 C CB  . LYS A 1 146 ? -4.81351  -16.24666 -34.41923 1.000 44.78847  ? 153 LYS A CB  1 
ATOM   1060 C CG  . LYS A 1 146 ? -5.38846  -15.88772 -35.78224 1.000 44.32035  ? 153 LYS A CG  1 
ATOM   1061 C CD  . LYS A 1 146 ? -4.47984  -16.34332 -36.91090 1.000 45.59336  ? 153 LYS A CD  1 
ATOM   1062 C CE  . LYS A 1 146 ? -5.19227  -16.27379 -38.26267 1.000 50.57876  ? 153 LYS A CE  1 
ATOM   1063 N NZ  . LYS A 1 146 ? -5.37722  -14.87659 -38.73914 1.000 44.78215  ? 153 LYS A NZ  1 
ATOM   1064 N N   . HIS A 1 147 ? -2.81555  -13.45176 -35.13892 1.000 46.79757  ? 154 HIS A N   1 
ATOM   1065 C CA  . HIS A 1 147 ? -2.86698  -12.04695 -35.51393 1.000 42.69697  ? 154 HIS A CA  1 
ATOM   1066 C C   . HIS A 1 147 ? -3.49943  -11.91004 -36.89411 1.000 48.07304  ? 154 HIS A C   1 
ATOM   1067 O O   . HIS A 1 147 ? -3.44585  -12.83266 -37.71055 1.000 55.17771  ? 154 HIS A O   1 
ATOM   1068 C CB  . HIS A 1 147 ? -1.45796  -11.44709 -35.50457 1.000 47.16715  ? 154 HIS A CB  1 
ATOM   1069 C CG  . HIS A 1 147 ? -1.42066  -9.95872  -35.65758 1.000 49.76902  ? 154 HIS A CG  1 
ATOM   1070 N ND1 . HIS A 1 147 ? -1.50802  -9.33475  -36.88216 1.000 49.80149  ? 154 HIS A ND1 1 
ATOM   1071 C CD2 . HIS A 1 147 ? -1.28959  -8.97197  -34.73946 1.000 47.19244  ? 154 HIS A CD2 1 
ATOM   1072 C CE1 . HIS A 1 147 ? -1.43865  -8.02601  -36.71253 1.000 46.49996  ? 154 HIS A CE1 1 
ATOM   1073 N NE2 . HIS A 1 147 ? -1.30665  -7.78002  -35.42231 1.000 44.62216  ? 154 HIS A NE2 1 
ATOM   1074 N N   . ASN A 1 148 ? -4.10555  -10.74646 -37.14939 1.000 48.40124  ? 155 ASN A N   1 
ATOM   1075 C CA  . ASN A 1 148 ? -4.80658  -10.54332 -38.41550 1.000 51.30885  ? 155 ASN A CA  1 
ATOM   1076 C C   . ASN A 1 148 ? -3.88145  -10.70180 -39.61577 1.000 50.90531  ? 155 ASN A C   1 
ATOM   1077 O O   . ASN A 1 148 ? -4.31768  -11.15955 -40.67763 1.000 48.04361  ? 155 ASN A O   1 
ATOM   1078 C CB  . ASN A 1 148 ? -5.46059  -9.16079  -38.45035 1.000 51.96090  ? 155 ASN A CB  1 
ATOM   1079 C CG  . ASN A 1 148 ? -6.79729  -9.12672  -37.74090 1.000 52.98208  ? 155 ASN A CG  1 
ATOM   1080 O OD1 . ASN A 1 148 ? -7.43390  -10.16162 -37.54072 1.000 55.01620  ? 155 ASN A OD1 1 
ATOM   1081 N ND2 . ASN A 1 148 ? -7.23910  -7.92980  -37.36946 1.000 49.21584  ? 155 ASN A ND2 1 
ATOM   1082 N N   . ASP A 1 149 ? -2.60624  -10.34362 -39.46913 1.000 53.03348  ? 156 ASP A N   1 
ATOM   1083 C CA  . ASP A 1 149 ? -1.66998  -10.29716 -40.58437 1.000 53.21764  ? 156 ASP A CA  1 
ATOM   1084 C C   . ASP A 1 149 ? -0.79357  -11.54043 -40.67708 1.000 51.78165  ? 156 ASP A C   1 
ATOM   1085 O O   . ASP A 1 149 ? 0.23294   -11.51534 -41.36500 1.000 59.45527  ? 156 ASP A O   1 
ATOM   1086 C CB  . ASP A 1 149 ? -0.79410  -9.05013  -40.47448 1.000 57.28964  ? 156 ASP A CB  1 
ATOM   1087 C CG  . ASP A 1 149 ? -1.60916  -7.77336  -40.46515 1.000 61.44257  ? 156 ASP A CG  1 
ATOM   1088 O OD1 . ASP A 1 149 ? -2.78240  -7.81566  -40.90106 1.000 61.73575  ? 156 ASP A OD1 1 
ATOM   1089 O OD2 . ASP A 1 149 ? -1.08582  -6.73297  -40.01184 1.000 62.37457  ? 156 ASP A OD2 1 
ATOM   1090 N N   . ASP A 1 150 ? -1.17230  -12.62599 -40.01098 1.000 50.43343  ? 157 ASP A N   1 
ATOM   1091 C CA  . ASP A 1 150 ? -0.32862  -13.81309 -39.97895 1.000 47.94135  ? 157 ASP A CA  1 
ATOM   1092 C C   . ASP A 1 150 ? -1.20206  -15.03684 -39.73066 1.000 51.20427  ? 157 ASP A C   1 
ATOM   1093 O O   . ASP A 1 150 ? -2.41850  -14.93313 -39.55608 1.000 50.69695  ? 157 ASP A O   1 
ATOM   1094 C CB  . ASP A 1 150 ? 0.76026   -13.67705 -38.91326 1.000 45.42959  ? 157 ASP A CB  1 
ATOM   1095 C CG  . ASP A 1 150 ? 2.01977   -14.43235 -39.27120 1.000 52.13561  ? 157 ASP A CG  1 
ATOM   1096 O OD1 . ASP A 1 150 ? 1.95135   -15.32837 -40.13843 1.000 52.74787  ? 157 ASP A OD1 1 
ATOM   1097 O OD2 . ASP A 1 150 ? 3.07939   -14.12718 -38.68663 1.000 51.85240  ? 157 ASP A OD2 1 
ATOM   1098 N N   . GLU A 1 151 ? -0.56202  -16.20409 -39.71621 1.000 52.35169  ? 158 GLU A N   1 
ATOM   1099 C CA  . GLU A 1 151 ? -1.24051  -17.46141 -39.44696 1.000 53.27326  ? 158 GLU A CA  1 
ATOM   1100 C C   . GLU A 1 151 ? -1.32631  -17.70148 -37.94083 1.000 49.74039  ? 158 GLU A C   1 
ATOM   1101 O O   . GLU A 1 151 ? -0.86838  -16.89712 -37.12430 1.000 52.28720  ? 158 GLU A O   1 
ATOM   1102 C CB  . GLU A 1 151 ? -0.51495  -18.61545 -40.13639 1.000 52.92484  ? 158 GLU A CB  1 
ATOM   1103 C CG  . GLU A 1 151 ? -0.32762  -18.43968 -41.63018 1.000 66.31625  ? 158 GLU A CG  1 
ATOM   1104 C CD  . GLU A 1 151 ? -1.63316  -18.18063 -42.35456 1.000 79.66335  ? 158 GLU A CD  1 
ATOM   1105 O OE1 . GLU A 1 151 ? -2.61799  -18.89702 -42.07603 1.000 89.23345  ? 158 GLU A OE1 1 
ATOM   1106 O OE2 . GLU A 1 151 ? -1.67511  -17.26605 -43.20618 1.000 79.67751  ? 158 GLU A OE2 1 
ATOM   1107 N N   . GLN A 1 152 ? -1.92726  -18.82766 -37.56901 1.000 45.84393  ? 159 GLN A N   1 
ATOM   1108 C CA  . GLN A 1 152 ? -1.97837  -19.24186 -36.17537 1.000 47.43814  ? 159 GLN A CA  1 
ATOM   1109 C C   . GLN A 1 152 ? -0.71134  -20.00699 -35.81747 1.000 44.20651  ? 159 GLN A C   1 
ATOM   1110 O O   . GLN A 1 152 ? -0.24816  -20.85901 -36.58115 1.000 49.27279  ? 159 GLN A O   1 
ATOM   1111 C CB  . GLN A 1 152 ? -3.20968  -20.11167 -35.92535 1.000 46.39614  ? 159 GLN A CB  1 
ATOM   1112 C CG  . GLN A 1 152 ? -3.57929  -20.26942 -34.46617 1.000 46.08735  ? 159 GLN A CG  1 
ATOM   1113 C CD  . GLN A 1 152 ? -5.00894  -20.73092 -34.28126 1.000 54.38542  ? 159 GLN A CD  1 
ATOM   1114 O OE1 . GLN A 1 152 ? -5.95400  -20.01930 -34.62220 1.000 56.69209  ? 159 GLN A OE1 1 
ATOM   1115 N NE2 . GLN A 1 152 ? -5.17550  -21.93304 -33.74091 1.000 51.68259  ? 159 GLN A NE2 1 
ATOM   1116 N N   . TYR A 1 153 ? -0.14810  -19.69612 -34.65196 1.000 40.96348  ? 160 TYR A N   1 
ATOM   1117 C CA  . TYR A 1 153 ? 1.12538   -20.26281 -34.23469 1.000 45.19940  ? 160 TYR A CA  1 
ATOM   1118 C C   . TYR A 1 153 ? 1.04440   -20.75819 -32.79972 1.000 45.25653  ? 160 TYR A C   1 
ATOM   1119 O O   . TYR A 1 153 ? 0.23609   -20.27761 -31.99998 1.000 41.15530  ? 160 TYR A O   1 
ATOM   1120 C CB  . TYR A 1 153 ? 2.26345   -19.24613 -34.36385 1.000 40.93635  ? 160 TYR A CB  1 
ATOM   1121 C CG  . TYR A 1 153 ? 2.68023   -19.00242 -35.79368 1.000 50.09174  ? 160 TYR A CG  1 
ATOM   1122 C CD1 . TYR A 1 153 ? 2.34752   -17.82324 -36.44322 1.000 47.96566  ? 160 TYR A CD1 1 
ATOM   1123 C CD2 . TYR A 1 153 ? 3.39273   -19.96234 -36.50021 1.000 47.90276  ? 160 TYR A CD2 1 
ATOM   1124 C CE1 . TYR A 1 153 ? 2.72210   -17.60201 -37.75423 1.000 52.95119  ? 160 TYR A CE1 1 
ATOM   1125 C CE2 . TYR A 1 153 ? 3.77206   -19.75166 -37.80777 1.000 48.96835  ? 160 TYR A CE2 1 
ATOM   1126 C CZ  . TYR A 1 153 ? 3.43494   -18.56987 -38.43144 1.000 56.93916  ? 160 TYR A CZ  1 
ATOM   1127 O OH  . TYR A 1 153 ? 3.81176   -18.35939 -39.73821 1.000 64.48350  ? 160 TYR A OH  1 
ATOM   1128 N N   . ALA A 1 154 ? 1.90230   -21.72653 -32.48459 1.000 45.00918  ? 161 ALA A N   1 
ATOM   1129 C CA  . ALA A 1 154 ? 1.96681   -22.33468 -31.16234 1.000 43.35356  ? 161 ALA A CA  1 
ATOM   1130 C C   . ALA A 1 154 ? 3.35799   -22.11758 -30.58658 1.000 40.82749  ? 161 ALA A C   1 
ATOM   1131 O O   . ALA A 1 154 ? 4.34534   -22.62829 -31.12641 1.000 45.05694  ? 161 ALA A O   1 
ATOM   1132 C CB  . ALA A 1 154 ? 1.63261   -23.82644 -31.22303 1.000 40.73362  ? 161 ALA A CB  1 
ATOM   1133 N N   . TRP A 1 155 ? 3.42906   -21.35806 -29.49989 1.000 37.53837  ? 162 TRP A N   1 
ATOM   1134 C CA  . TRP A 1 155 ? 4.66485   -21.10973 -28.77415 1.000 38.29527  ? 162 TRP A CA  1 
ATOM   1135 C C   . TRP A 1 155 ? 4.67816   -21.97754 -27.52269 1.000 44.02396  ? 162 TRP A C   1 
ATOM   1136 O O   . TRP A 1 155 ? 3.63572   -22.19054 -26.89637 1.000 44.62622  ? 162 TRP A O   1 
ATOM   1137 C CB  . TRP A 1 155 ? 4.77294   -19.62448 -28.41736 1.000 39.05297  ? 162 TRP A CB  1 
ATOM   1138 C CG  . TRP A 1 155 ? 6.02654   -19.20675 -27.71342 1.000 34.57350  ? 162 TRP A CG  1 
ATOM   1139 C CD1 . TRP A 1 155 ? 7.11531   -18.60271 -28.27226 1.000 39.06702  ? 162 TRP A CD1 1 
ATOM   1140 C CD2 . TRP A 1 155 ? 6.30414   -19.31645 -26.31245 1.000 35.86665  ? 162 TRP A CD2 1 
ATOM   1141 N NE1 . TRP A 1 155 ? 8.05993   -18.34463 -27.30974 1.000 36.17462  ? 162 TRP A NE1 1 
ATOM   1142 C CE2 . TRP A 1 155 ? 7.58638   -18.77512 -26.09822 1.000 39.12919  ? 162 TRP A CE2 1 
ATOM   1143 C CE3 . TRP A 1 155 ? 5.59554   -19.82577 -25.21909 1.000 40.69231  ? 162 TRP A CE3 1 
ATOM   1144 C CZ2 . TRP A 1 155 ? 8.17528   -18.73039 -24.83850 1.000 41.49047  ? 162 TRP A CZ2 1 
ATOM   1145 C CZ3 . TRP A 1 155 ? 6.18198   -19.78290 -23.97079 1.000 38.48354  ? 162 TRP A CZ3 1 
ATOM   1146 C CH2 . TRP A 1 155 ? 7.45905   -19.23677 -23.78966 1.000 42.17698  ? 162 TRP A CH2 1 
ATOM   1147 N N   . GLU A 1 156 ? 5.85461   -22.49326 -27.16981 1.000 37.75143  ? 163 GLU A N   1 
ATOM   1148 C CA  . GLU A 1 156 ? 5.95954   -23.40926 -26.04354 1.000 39.26702  ? 163 GLU A CA  1 
ATOM   1149 C C   . GLU A 1 156 ? 7.36422   -23.35960 -25.46479 1.000 42.73246  ? 163 GLU A C   1 
ATOM   1150 O O   . GLU A 1 156 ? 8.34646   -23.27093 -26.20662 1.000 44.55046  ? 163 GLU A O   1 
ATOM   1151 C CB  . GLU A 1 156 ? 5.62192   -24.84586 -26.45820 1.000 50.49064  ? 163 GLU A CB  1 
ATOM   1152 C CG  . GLU A 1 156 ? 5.34129   -25.77943 -25.28753 1.000 49.16569  ? 163 GLU A CG  1 
ATOM   1153 C CD  . GLU A 1 156 ? 4.60458   -27.03927 -25.70539 1.000 55.39244  ? 163 GLU A CD  1 
ATOM   1154 O OE1 . GLU A 1 156 ? 5.23950   -27.92118 -26.32160 1.000 60.04960  ? 163 GLU A OE1 1 
ATOM   1155 O OE2 . GLU A 1 156 ? 3.39191   -27.14680 -25.42246 1.000 54.57880  ? 163 GLU A OE2 1 
ATOM   1156 N N   . SER A 1 157 ? 7.44893   -23.43323 -24.13767 1.000 36.28023  ? 164 SER A N   1 
ATOM   1157 C CA  . SER A 1 157 ? 8.73529   -23.47224 -23.45979 1.000 44.85990  ? 164 SER A CA  1 
ATOM   1158 C C   . SER A 1 157 ? 8.56089   -24.05518 -22.06500 1.000 43.85195  ? 164 SER A C   1 
ATOM   1159 O O   . SER A 1 157 ? 7.64383   -23.67098 -21.33275 1.000 42.59090  ? 164 SER A O   1 
ATOM   1160 C CB  . SER A 1 157 ? 9.36238   -22.07812 -23.36505 1.000 42.05856  ? 164 SER A CB  1 
ATOM   1161 O OG  . SER A 1 157 ? 10.64423  -22.14180 -22.76443 1.000 42.96396  ? 164 SER A OG  1 
ATOM   1162 N N   . SER A 1 158 ? 9.44872   -24.98562 -21.71100 1.000 40.56528  ? 165 SER A N   1 
ATOM   1163 C CA  . SER A 1 158 ? 9.60685   -25.45587 -20.34093 1.000 42.84509  ? 165 SER A CA  1 
ATOM   1164 C C   . SER A 1 158 ? 10.83439  -24.84353 -19.67804 1.000 39.37193  ? 165 SER A C   1 
ATOM   1165 O O   . SER A 1 158 ? 11.47368  -25.48749 -18.83822 1.000 41.66627  ? 165 SER A O   1 
ATOM   1166 C CB  . SER A 1 158 ? 9.68953   -26.98227 -20.30390 1.000 46.95925  ? 165 SER A CB  1 
ATOM   1167 O OG  . SER A 1 158 ? 8.44165   -27.57807 -20.61764 1.000 47.56898  ? 165 SER A OG  1 
ATOM   1168 N N   . ALA A 1 159 ? 11.17341  -23.61400 -20.05329 1.000 39.76100  ? 166 ALA A N   1 
ATOM   1169 C CA  . ALA A 1 159 ? 12.39705  -22.93070 -19.61688 1.000 44.20779  ? 166 ALA A CA  1 
ATOM   1170 C C   . ALA A 1 159 ? 13.58748  -23.79022 -20.04863 1.000 45.73473  ? 166 ALA A C   1 
ATOM   1171 O O   . ALA A 1 159 ? 13.53522  -24.46720 -21.08338 1.000 50.49153  ? 166 ALA A O   1 
ATOM   1172 C CB  . ALA A 1 159 ? 12.33297  -22.62880 -18.13160 1.000 39.61130  ? 166 ALA A CB  1 
ATOM   1173 N N   . GLY A 1 160 ? 14.66566  -23.78641 -19.27027 1.000 44.98672  ? 167 GLY A N   1 
ATOM   1174 C CA  . GLY A 1 160 ? 15.84450  -24.53341 -19.65712 1.000 42.96542  ? 167 GLY A CA  1 
ATOM   1175 C C   . GLY A 1 160 ? 16.62075  -23.95140 -20.81579 1.000 43.11956  ? 167 GLY A C   1 
ATOM   1176 O O   . GLY A 1 160 ? 17.51609  -24.62073 -21.34015 1.000 48.27233  ? 167 GLY A O   1 
ATOM   1177 N N   . GLY A 1 161 ? 16.29760  -22.73222 -21.24495 1.000 42.02790  ? 168 GLY A N   1 
ATOM   1178 C CA  . GLY A 1 161 ? 17.07680  -22.03047 -22.24230 1.000 40.03388  ? 168 GLY A CA  1 
ATOM   1179 C C   . GLY A 1 161 ? 16.55589  -22.09084 -23.66220 1.000 45.62329  ? 168 GLY A C   1 
ATOM   1180 O O   . GLY A 1 161 ? 17.17294  -21.48804 -24.54937 1.000 46.87935  ? 168 GLY A O   1 
ATOM   1181 N N   . SER A 1 162 ? 15.44517  -22.78189 -23.91382 1.000 43.07859  ? 169 SER A N   1 
ATOM   1182 C CA  . SER A 1 162 ? 14.96370  -22.94793 -25.27704 1.000 42.92743  ? 169 SER A CA  1 
ATOM   1183 C C   . SER A 1 162 ? 13.44319  -22.90962 -25.31830 1.000 40.01296  ? 169 SER A C   1 
ATOM   1184 O O   . SER A 1 162 ? 12.76675  -23.23181 -24.33884 1.000 41.01479  ? 169 SER A O   1 
ATOM   1185 C CB  . SER A 1 162 ? 15.46882  -24.25983 -25.89647 1.000 41.28905  ? 169 SER A CB  1 
ATOM   1186 O OG  . SER A 1 162 ? 14.83560  -25.38083 -25.30913 1.000 42.98722  ? 169 SER A OG  1 
ATOM   1187 N N   . PHE A 1 163 ? 12.91771  -22.51852 -26.47788 1.000 42.51434  ? 170 PHE A N   1 
ATOM   1188 C CA  . PHE A 1 163 ? 11.49107  -22.55858 -26.75724 1.000 41.55945  ? 170 PHE A CA  1 
ATOM   1189 C C   . PHE A 1 163 ? 11.29018  -23.02893 -28.18994 1.000 41.90913  ? 170 PHE A C   1 
ATOM   1190 O O   . PHE A 1 163 ? 12.22269  -23.03791 -28.99762 1.000 44.01362  ? 170 PHE A O   1 
ATOM   1191 C CB  . PHE A 1 163 ? 10.82283  -21.19110 -26.54500 1.000 40.19424  ? 170 PHE A CB  1 
ATOM   1192 C CG  . PHE A 1 163 ? 11.33986  -20.10585 -27.45539 1.000 44.93781  ? 170 PHE A CG  1 
ATOM   1193 C CD1 . PHE A 1 163 ? 12.47892  -19.38571 -27.12902 1.000 43.25982  ? 170 PHE A CD1 1 
ATOM   1194 C CD2 . PHE A 1 163 ? 10.67892  -19.79695 -28.63344 1.000 44.45107  ? 170 PHE A CD2 1 
ATOM   1195 C CE1 . PHE A 1 163 ? 12.94854  -18.38358 -27.96465 1.000 44.28576  ? 170 PHE A CE1 1 
ATOM   1196 C CE2 . PHE A 1 163 ? 11.14855  -18.79783 -29.47000 1.000 43.11618  ? 170 PHE A CE2 1 
ATOM   1197 C CZ  . PHE A 1 163 ? 12.28152  -18.09105 -29.13353 1.000 43.22962  ? 170 PHE A CZ  1 
ATOM   1198 N N   . THR A 1 164 ? 10.05799  -23.42208 -28.49944 1.000 40.69602  ? 171 THR A N   1 
ATOM   1199 C CA  . THR A 1 164 ? 9.70643   -23.89913 -29.82653 1.000 43.10852  ? 171 THR A CA  1 
ATOM   1200 C C   . THR A 1 164 ? 8.54850   -23.08883 -30.39667 1.000 42.91796  ? 171 THR A C   1 
ATOM   1201 O O   . THR A 1 164 ? 7.75337   -22.49231 -29.66506 1.000 40.20508  ? 171 THR A O   1 
ATOM   1202 C CB  . THR A 1 164 ? 9.33307   -25.38736 -29.81147 1.000 40.03403  ? 171 THR A CB  1 
ATOM   1203 O OG1 . THR A 1 164 ? 8.17740   -25.58354 -28.98819 1.000 46.20578  ? 171 THR A OG1 1 
ATOM   1204 C CG2 . THR A 1 164 ? 10.48819  -26.22769 -29.27947 1.000 40.70385  ? 171 THR A CG2 1 
ATOM   1205 N N   . VAL A 1 165 ? 8.47009   -23.07358 -31.72537 1.000 43.77272  ? 172 VAL A N   1 
ATOM   1206 C CA  . VAL A 1 165 ? 7.39639   -22.40956 -32.45698 1.000 45.36058  ? 172 VAL A CA  1 
ATOM   1207 C C   . VAL A 1 165 ? 6.98700   -23.30792 -33.61557 1.000 44.24497  ? 172 VAL A C   1 
ATOM   1208 O O   . VAL A 1 165 ? 7.84124   -23.85726 -34.31882 1.000 41.50429  ? 172 VAL A O   1 
ATOM   1209 C CB  . VAL A 1 165 ? 7.82238   -21.01452 -32.96744 1.000 47.28169  ? 172 VAL A CB  1 
ATOM   1210 C CG1 . VAL A 1 165 ? 6.83721   -20.49659 -34.00253 1.000 42.36057  ? 172 VAL A CG1 1 
ATOM   1211 C CG2 . VAL A 1 165 ? 7.93498   -20.03133 -31.81367 1.000 35.54592  ? 172 VAL A CG2 1 
ATOM   1212 N N   . ARG A 1 166 ? 5.67923   -23.47142 -33.80502 1.000 47.07513  ? 173 ARG A N   1 
ATOM   1213 C CA  . ARG A 1 166 ? 5.17188   -24.26648 -34.91230 1.000 49.92681  ? 173 ARG A CA  1 
ATOM   1214 C C   . ARG A 1 166 ? 3.85245   -23.67926 -35.38798 1.000 51.12440  ? 173 ARG A C   1 
ATOM   1215 O O   . ARG A 1 166 ? 3.19317   -22.91731 -34.67526 1.000 45.85894  ? 173 ARG A O   1 
ATOM   1216 C CB  . ARG A 1 166 ? 4.97644   -25.73598 -34.51924 1.000 49.93553  ? 173 ARG A CB  1 
ATOM   1217 C CG  . ARG A 1 166 ? 3.75714   -25.97473 -33.64272 1.000 55.45892  ? 173 ARG A CG  1 
ATOM   1218 C CD  . ARG A 1 166 ? 3.76428   -27.36774 -33.04038 1.000 60.85133  ? 173 ARG A CD  1 
ATOM   1219 N NE  . ARG A 1 166 ? 4.59845   -27.44737 -31.84785 1.000 78.76240  ? 173 ARG A NE  1 
ATOM   1220 C CZ  . ARG A 1 166 ? 4.93459   -28.58392 -31.25189 1.000 79.17311  ? 173 ARG A CZ  1 
ATOM   1221 N NH1 . ARG A 1 166 ? 4.51482   -29.75511 -31.70740 1.000 76.00418  ? 173 ARG A NH1 1 
ATOM   1222 N NH2 . ARG A 1 166 ? 5.71379   -28.54792 -30.17525 1.000 69.57052  ? 173 ARG A NH2 1 
ATOM   1223 N N   . THR A 1 167 ? 3.47930   -24.04212 -36.61193 1.000 49.02687  ? 174 THR A N   1 
ATOM   1224 C CA  . THR A 1 167 ? 2.15007   -23.72709 -37.11253 1.000 48.50346  ? 174 THR A CA  1 
ATOM   1225 C C   . THR A 1 167 ? 1.12469   -24.58913 -36.38842 1.000 54.58626  ? 174 THR A C   1 
ATOM   1226 O O   . THR A 1 167 ? 1.25093   -25.81696 -36.34359 1.000 63.12193  ? 174 THR A O   1 
ATOM   1227 C CB  . THR A 1 167 ? 2.07556   -23.96203 -38.62146 1.000 55.88667  ? 174 THR A CB  1 
ATOM   1228 O OG1 . THR A 1 167 ? 2.72224   -22.88393 -39.30935 1.000 56.46205  ? 174 THR A OG1 1 
ATOM   1229 C CG2 . THR A 1 167 ? 0.62663   -24.04645 -39.07826 1.000 58.58012  ? 174 THR A CG2 1 
ATOM   1230 N N   . ASP A 1 168 ? 0.11486   -23.94738 -35.80975 1.000 56.10599  ? 175 ASP A N   1 
ATOM   1231 C CA  . ASP A 1 168 ? -0.87425  -24.66677 -35.02134 1.000 60.50774  ? 175 ASP A CA  1 
ATOM   1232 C C   . ASP A 1 168 ? -1.91187  -25.31322 -35.92903 1.000 70.27352  ? 175 ASP A C   1 
ATOM   1233 O O   . ASP A 1 168 ? -2.44723  -24.66910 -36.83672 1.000 67.89595  ? 175 ASP A O   1 
ATOM   1234 C CB  . ASP A 1 168 ? -1.55570  -23.73001 -34.02749 1.000 52.87832  ? 175 ASP A CB  1 
ATOM   1235 C CG  . ASP A 1 168 ? -2.50922  -24.46115 -33.10783 1.000 64.48619  ? 175 ASP A CG  1 
ATOM   1236 O OD1 . ASP A 1 168 ? -2.10041  -25.48944 -32.52669 1.000 70.78967  ? 175 ASP A OD1 1 
ATOM   1237 O OD2 . ASP A 1 168 ? -3.66637  -24.01295 -32.96885 1.000 70.45751  ? 175 ASP A OD2 1 
ATOM   1238 N N   . THR A 1 169 ? -2.19655  -26.58910 -35.67469 1.000 78.52627  ? 176 THR A N   1 
ATOM   1239 C CA  . THR A 1 169 ? -3.18717  -27.34483 -36.42763 1.000 82.07755  ? 176 THR A CA  1 
ATOM   1240 C C   . THR A 1 169 ? -4.46310  -27.58498 -35.63036 1.000 81.75521  ? 176 THR A C   1 
ATOM   1241 O O   . THR A 1 169 ? -5.32452  -28.35155 -36.07346 1.000 82.42434  ? 176 THR A O   1 
ATOM   1242 C CB  . THR A 1 169 ? -2.59663  -28.68181 -36.88307 1.000 83.30166  ? 176 THR A CB  1 
ATOM   1243 O OG1 . THR A 1 169 ? -1.86086  -29.27314 -35.80303 1.000 82.17158  ? 176 THR A OG1 1 
ATOM   1244 C CG2 . THR A 1 169 ? -1.67590  -28.48255 -38.08029 1.000 71.48330  ? 176 THR A CG2 1 
ATOM   1245 N N   . GLY A 1 170 ? -4.60751  -26.94992 -34.47050 1.000 76.34845  ? 177 GLY A N   1 
ATOM   1246 C CA  . GLY A 1 170 ? -5.77773  -27.12759 -33.63731 1.000 76.58837  ? 177 GLY A CA  1 
ATOM   1247 C C   . GLY A 1 170 ? -6.98160  -26.35595 -34.14707 1.000 76.88336  ? 177 GLY A C   1 
ATOM   1248 O O   . GLY A 1 170 ? -7.08033  -25.99998 -35.32217 1.000 73.67589  ? 177 GLY A O   1 
ATOM   1249 N N   . GLU A 1 171 ? -7.91096  -26.10329 -33.23125 1.000 77.03255  ? 178 GLU A N   1 
ATOM   1250 C CA  . GLU A 1 171 ? -9.12113  -25.36490 -33.57017 1.000 75.06720  ? 178 GLU A CA  1 
ATOM   1251 C C   . GLU A 1 171 ? -8.76309  -23.93354 -33.94316 1.000 68.93691  ? 178 GLU A C   1 
ATOM   1252 O O   . GLU A 1 171 ? -8.02413  -23.26892 -33.19956 1.000 62.68139  ? 178 GLU A O   1 
ATOM   1253 C CB  . GLU A 1 171 ? -10.09385 -25.37826 -32.38770 1.000 75.11698  ? 178 GLU A CB  1 
ATOM   1254 C CG  . GLU A 1 171 ? -11.45269 -24.73039 -32.64418 1.000 78.40660  ? 178 GLU A CG  1 
ATOM   1255 C CD  . GLU A 1 171 ? -12.35206 -25.55287 -33.55597 1.000 92.51318  ? 178 GLU A CD  1 
ATOM   1256 O OE1 . GLU A 1 171 ? -12.94860 -26.53689 -33.07053 1.000 87.63531  ? 178 GLU A OE1 1 
ATOM   1257 O OE2 . GLU A 1 171 ? -12.49433 -25.20210 -34.74642 1.000 87.63160  ? 178 GLU A OE2 1 
ATOM   1258 N N   . PRO A 1 172 ? -9.23640  -23.41899 -35.07805 1.000 65.68604  ? 179 PRO A N   1 
ATOM   1259 C CA  . PRO A 1 172 ? -8.98222  -22.01577 -35.41757 1.000 62.08327  ? 179 PRO A CA  1 
ATOM   1260 C C   . PRO A 1 172 ? -9.55707  -21.07164 -34.36870 1.000 61.71997  ? 179 PRO A C   1 
ATOM   1261 O O   . PRO A 1 172 ? -10.67085 -21.26154 -33.87494 1.000 63.79387  ? 179 PRO A O   1 
ATOM   1262 C CB  . PRO A 1 172 ? -9.67233  -21.84528 -36.77444 1.000 65.99943  ? 179 PRO A CB  1 
ATOM   1263 C CG  . PRO A 1 172 ? -9.71834  -23.22886 -37.34440 1.000 62.79403  ? 179 PRO A CG  1 
ATOM   1264 C CD  . PRO A 1 172 ? -9.90923  -24.14459 -36.17098 1.000 63.34878  ? 179 PRO A CD  1 
ATOM   1265 N N   . MET A 1 173 ? -8.77813  -20.04028 -34.03923 1.000 60.32043  ? 180 MET A N   1 
ATOM   1266 C CA  . MET A 1 173 ? -9.09976  -19.10913 -32.96606 1.000 58.22066  ? 180 MET A CA  1 
ATOM   1267 C C   . MET A 1 173 ? -9.72440  -17.80906 -33.45280 1.000 58.17721  ? 180 MET A C   1 
ATOM   1268 O O   . MET A 1 173 ? -10.29331 -17.07284 -32.63910 1.000 62.94040  ? 180 MET A O   1 
ATOM   1269 C CB  . MET A 1 173 ? -7.83611  -18.77471 -32.16730 1.000 54.43686  ? 180 MET A CB  1 
ATOM   1270 C CG  . MET A 1 173 ? -7.65962  -19.58191 -30.89722 1.000 58.78391  ? 180 MET A CG  1 
ATOM   1271 S SD  . MET A 1 173 ? -6.26720  -18.97527 -29.93301 1.000 64.80478  ? 180 MET A SD  1 
ATOM   1272 C CE  . MET A 1 173 ? -5.20527  -18.37013 -31.23816 1.000 53.06721  ? 180 MET A CE  1 
ATOM   1273 N N   . GLY A 1 174 ? -9.61976  -17.49912 -34.74096 1.000 56.30468  ? 181 GLY A N   1 
ATOM   1274 C CA  . GLY A 1 174 ? -10.11217 -16.23408 -35.24766 1.000 56.54878  ? 181 GLY A CA  1 
ATOM   1275 C C   . GLY A 1 174 ? -9.11937  -15.10672 -35.05008 1.000 52.32928  ? 181 GLY A C   1 
ATOM   1276 O O   . GLY A 1 174 ? -8.54368  -14.60314 -36.01905 1.000 51.45902  ? 181 GLY A O   1 
ATOM   1277 N N   . ARG A 1 175 ? -8.91234  -14.70668 -33.79616 1.000 48.32330  ? 182 ARG A N   1 
ATOM   1278 C CA  . ARG A 1 175 ? -7.96375  -13.66267 -33.43347 1.000 49.11334  ? 182 ARG A CA  1 
ATOM   1279 C C   . ARG A 1 175 ? -7.84770  -13.62333 -31.91736 1.000 44.53886  ? 182 ARG A C   1 
ATOM   1280 O O   . ARG A 1 175 ? -8.86070  -13.68714 -31.21551 1.000 44.75646  ? 182 ARG A O   1 
ATOM   1281 C CB  . ARG A 1 175 ? -8.40755  -12.29194 -33.96263 1.000 42.87501  ? 182 ARG A CB  1 
ATOM   1282 C CG  . ARG A 1 175 ? -7.42672  -11.16666 -33.66986 1.000 39.95140  ? 182 ARG A CG  1 
ATOM   1283 C CD  . ARG A 1 175 ? -8.09569  -9.79804  -33.72546 1.000 44.27621  ? 182 ARG A CD  1 
ATOM   1284 N NE  . ARG A 1 175 ? -9.04686  -9.61008  -32.63648 1.000 45.55689  ? 182 ARG A NE  1 
ATOM   1285 C CZ  . ARG A 1 175 ? -10.36033 -9.52299  -32.79322 1.000 47.02301  ? 182 ARG A CZ  1 
ATOM   1286 N NH1 . ARG A 1 175 ? -10.91760 -9.57271  -33.99162 1.000 47.97829  ? 182 ARG A NH1 1 
ATOM   1287 N NH2 . ARG A 1 175 ? -11.13343 -9.37438  -31.72090 1.000 48.24815  ? 182 ARG A NH2 1 
ATOM   1288 N N   . GLY A 1 176 ? -6.62036  -13.52258 -31.42061 1.000 40.27587  ? 183 GLY A N   1 
ATOM   1289 C CA  . GLY A 1 176 ? -6.38848  -13.38467 -30.00063 1.000 43.79201  ? 183 GLY A CA  1 
ATOM   1290 C C   . GLY A 1 176 ? -5.24756  -14.26920 -29.54631 1.000 44.39421  ? 183 GLY A C   1 
ATOM   1291 O O   . GLY A 1 176 ? -4.47320  -14.77511 -30.35679 1.000 43.50605  ? 183 GLY A O   1 
ATOM   1292 N N   . THR A 1 177 ? -5.15760  -14.45105 -28.22861 1.000 41.01341  ? 184 THR A N   1 
ATOM   1293 C CA  . THR A 1 177 ? -4.06987  -15.19503 -27.61028 1.000 43.06844  ? 184 THR A CA  1 
ATOM   1294 C C   . THR A 1 177 ? -4.62670  -16.12837 -26.54592 1.000 39.94359  ? 184 THR A C   1 
ATOM   1295 O O   . THR A 1 177 ? -5.53655  -15.76016 -25.79747 1.000 40.54848  ? 184 THR A O   1 
ATOM   1296 C CB  . THR A 1 177 ? -3.02784  -14.24823 -26.99161 1.000 40.97967  ? 184 THR A CB  1 
ATOM   1297 O OG1 . THR A 1 177 ? -2.46001  -13.42550 -28.01920 1.000 42.74768  ? 184 THR A OG1 1 
ATOM   1298 C CG2 . THR A 1 177 ? -1.91569  -15.03018 -26.30313 1.000 40.96386  ? 184 THR A CG2 1 
ATOM   1299 N N   . LYS A 1 178 ? -4.07122  -17.33714 -26.49071 1.000 40.70683  ? 185 LYS A N   1 
ATOM   1300 C CA  . LYS A 1 178 ? -4.45498  -18.36783 -25.53435 1.000 39.80054  ? 185 LYS A CA  1 
ATOM   1301 C C   . LYS A 1 178 ? -3.20512  -18.83580 -24.80256 1.000 42.65379  ? 185 LYS A C   1 
ATOM   1302 O O   . LYS A 1 178 ? -2.30258  -19.40926 -25.42173 1.000 40.53923  ? 185 LYS A O   1 
ATOM   1303 C CB  . LYS A 1 178 ? -5.13247  -19.53611 -26.25326 1.000 45.43662  ? 185 LYS A CB  1 
ATOM   1304 C CG  . LYS A 1 178 ? -5.63387  -20.64050 -25.35117 1.000 46.49638  ? 185 LYS A CG  1 
ATOM   1305 C CD  . LYS A 1 178 ? -6.88118  -21.29073 -25.93867 1.000 52.84491  ? 185 LYS A CD  1 
ATOM   1306 C CE  . LYS A 1 178 ? -6.51630  -22.31026 -27.01154 1.000 57.88464  ? 185 LYS A CE  1 
ATOM   1307 N NZ  . LYS A 1 178 ? -7.03532  -23.67511 -26.70747 1.000 61.52333  ? 185 LYS A NZ  1 
ATOM   1308 N N   . VAL A 1 179 ? -3.14865  -18.59061 -23.49533 1.000 37.07779  ? 186 VAL A N   1 
ATOM   1309 C CA  . VAL A 1 179 ? -2.00423  -18.96619 -22.67165 1.000 37.15785  ? 186 VAL A CA  1 
ATOM   1310 C C   . VAL A 1 179 ? -2.40310  -20.16112 -21.82088 1.000 37.19659  ? 186 VAL A C   1 
ATOM   1311 O O   . VAL A 1 179 ? -3.31157  -20.06191 -20.98846 1.000 37.05858  ? 186 VAL A O   1 
ATOM   1312 C CB  . VAL A 1 179 ? -1.52612  -17.80083 -21.79437 1.000 38.11838  ? 186 VAL A CB  1 
ATOM   1313 C CG1 . VAL A 1 179 ? -0.32612  -18.23130 -20.95703 1.000 36.47819  ? 186 VAL A CG1 1 
ATOM   1314 C CG2 . VAL A 1 179 ? -1.18795  -16.59663 -22.65967 1.000 36.92038  ? 186 VAL A CG2 1 
ATOM   1315 N N   . ILE A 1 180 ? -1.71577  -21.28254 -22.01523 1.000 41.78610  ? 187 ILE A N   1 
ATOM   1316 C CA  . ILE A 1 180 ? -2.01152  -22.52990 -21.31886 1.000 39.68731  ? 187 ILE A CA  1 
ATOM   1317 C C   . ILE A 1 180 ? -0.89236  -22.77054 -20.31553 1.000 40.99909  ? 187 ILE A C   1 
ATOM   1318 O O   . ILE A 1 180 ? 0.26359   -22.99437 -20.69828 1.000 37.19001  ? 187 ILE A O   1 
ATOM   1319 C CB  . ILE A 1 180 ? -2.15478  -23.71003 -22.29042 1.000 43.18364  ? 187 ILE A CB  1 
ATOM   1320 C CG1 . ILE A 1 180 ? -3.08798  -23.33889 -23.44767 1.000 40.17491  ? 187 ILE A CG1 1 
ATOM   1321 C CG2 . ILE A 1 180 ? -2.66327  -24.94570 -21.56035 1.000 41.43773  ? 187 ILE A CG2 1 
ATOM   1322 C CD1 . ILE A 1 180 ? -3.02927  -24.30131 -24.60745 1.000 43.48312  ? 187 ILE A CD1 1 
ATOM   1323 N N   . LEU A 1 181 ? -1.23090  -22.71699 -19.02907 1.000 38.10840  ? 188 LEU A N   1 
ATOM   1324 C CA  . LEU A 1 181 ? -0.27282  -22.92524 -17.94969 1.000 35.97370  ? 188 LEU A CA  1 
ATOM   1325 C C   . LEU A 1 181 ? -0.37688  -24.36917 -17.47206 1.000 40.35493  ? 188 LEU A C   1 
ATOM   1326 O O   . LEU A 1 181 ? -1.37708  -24.75478 -16.85871 1.000 38.65840  ? 188 LEU A O   1 
ATOM   1327 C CB  . LEU A 1 181 ? -0.53092  -21.95702 -16.79684 1.000 34.13393  ? 188 LEU A CB  1 
ATOM   1328 C CG  . LEU A 1 181 ? -0.55563  -20.46157 -17.10701 1.000 37.75569  ? 188 LEU A CG  1 
ATOM   1329 C CD1 . LEU A 1 181 ? -0.98315  -19.69230 -15.87133 1.000 43.53600  ? 188 LEU A CD1 1 
ATOM   1330 C CD2 . LEU A 1 181 ? 0.81106   -20.00171 -17.56853 1.000 34.08140  ? 188 LEU A CD2 1 
ATOM   1331 N N   . HIS A 1 182 ? 0.65748   -25.16214 -17.74386 1.000 37.24007  ? 189 HIS A N   1 
ATOM   1332 C CA  . HIS A 1 182 ? 0.75550   -26.50917 -17.19182 1.000 44.72053  ? 189 HIS A CA  1 
ATOM   1333 C C   . HIS A 1 182 ? 1.33235   -26.39962 -15.78430 1.000 43.13096  ? 189 HIS A C   1 
ATOM   1334 O O   . HIS A 1 182 ? 2.53395   -26.17123 -15.61142 1.000 43.66231  ? 189 HIS A O   1 
ATOM   1335 C CB  . HIS A 1 182 ? 1.61084   -27.39377 -18.09424 1.000 40.27159  ? 189 HIS A CB  1 
ATOM   1336 C CG  . HIS A 1 182 ? 1.15456   -27.41258 -19.52113 1.000 47.22435  ? 189 HIS A CG  1 
ATOM   1337 N ND1 . HIS A 1 182 ? 0.31099   -28.38218 -20.01967 1.000 45.05452  ? 189 HIS A ND1 1 
ATOM   1338 C CD2 . HIS A 1 182 ? 1.41047   -26.57169 -20.55171 1.000 43.13207  ? 189 HIS A CD2 1 
ATOM   1339 C CE1 . HIS A 1 182 ? 0.07246   -28.14185 -21.29655 1.000 48.37484  ? 189 HIS A CE1 1 
ATOM   1340 N NE2 . HIS A 1 182 ? 0.72827   -27.04913 -21.64459 1.000 41.30765  ? 189 HIS A NE2 1 
ATOM   1341 N N   . LEU A 1 183 ? 0.47457   -26.55365 -14.77938 1.000 39.72806  ? 190 LEU A N   1 
ATOM   1342 C CA  . LEU A 1 183 ? 0.82160   -26.19071 -13.41161 1.000 44.88388  ? 190 LEU A CA  1 
ATOM   1343 C C   . LEU A 1 183 ? 1.74412   -27.21887 -12.77020 1.000 43.92125  ? 190 LEU A C   1 
ATOM   1344 O O   . LEU A 1 183 ? 1.61981   -28.42493 -13.00436 1.000 48.87650  ? 190 LEU A O   1 
ATOM   1345 C CB  . LEU A 1 183 ? -0.44490  -26.04092 -12.56614 1.000 40.66820  ? 190 LEU A CB  1 
ATOM   1346 C CG  . LEU A 1 183 ? -1.35960  -24.87068 -12.92856 1.000 43.32973  ? 190 LEU A CG  1 
ATOM   1347 C CD1 . LEU A 1 183 ? -2.57419  -24.82671 -12.01156 1.000 41.14999  ? 190 LEU A CD1 1 
ATOM   1348 C CD2 . LEU A 1 183 ? -0.58998  -23.55614 -12.87905 1.000 41.85592  ? 190 LEU A CD2 1 
ATOM   1349 N N   . LYS A 1 184 ? 2.67221   -26.72778 -11.95050 1.000 46.91327  ? 191 LYS A N   1 
ATOM   1350 C CA  . LYS A 1 184 ? 3.48523   -27.61084 -11.12814 1.000 48.71373  ? 191 LYS A CA  1 
ATOM   1351 C C   . LYS A 1 184 ? 2.59223   -28.41879 -10.19373 1.000 46.69657  ? 191 LYS A C   1 
ATOM   1352 O O   . LYS A 1 184 ? 1.46433   -28.02603 -9.88345  1.000 45.90700  ? 191 LYS A O   1 
ATOM   1353 C CB  . LYS A 1 184 ? 4.50313   -26.80564 -10.31753 1.000 48.43500  ? 191 LYS A CB  1 
ATOM   1354 C CG  . LYS A 1 184 ? 5.38306   -25.87465 -11.14148 1.000 45.70356  ? 191 LYS A CG  1 
ATOM   1355 C CD  . LYS A 1 184 ? 6.31468   -25.07167 -10.24333 1.000 43.77345  ? 191 LYS A CD  1 
ATOM   1356 C CE  . LYS A 1 184 ? 7.30252   -24.25052 -11.05322 1.000 54.93707  ? 191 LYS A CE  1 
ATOM   1357 N NZ  . LYS A 1 184 ? 7.92901   -23.16724 -10.23970 1.000 55.18469  ? 191 LYS A NZ  1 
ATOM   1358 N N   . GLU A 1 185 ? 3.11639   -29.55838 -9.73582  1.000 49.01329  ? 192 GLU A N   1 
ATOM   1359 C CA  . GLU A 1 185 ? 2.30416   -30.49651 -8.96648  1.000 58.02551  ? 192 GLU A CA  1 
ATOM   1360 C C   . GLU A 1 185 ? 1.74459   -29.86780 -7.69456  1.000 54.66521  ? 192 GLU A C   1 
ATOM   1361 O O   . GLU A 1 185 ? 0.64360   -30.22652 -7.26141  1.000 56.58224  ? 192 GLU A O   1 
ATOM   1362 C CB  . GLU A 1 185 ? 3.12804   -31.73876 -8.62331  1.000 54.76007  ? 192 GLU A CB  1 
ATOM   1363 C CG  . GLU A 1 185 ? 2.31952   -32.88431 -8.03725  1.000 63.62962  ? 192 GLU A CG  1 
ATOM   1364 C CD  . GLU A 1 185 ? 3.11082   -34.17768 -7.97443  1.000 76.59341  ? 192 GLU A CD  1 
ATOM   1365 O OE1 . GLU A 1 185 ? 4.31561   -34.15422 -8.30753  1.000 80.31872  ? 192 GLU A OE1 1 
ATOM   1366 O OE2 . GLU A 1 185 ? 2.53256   -35.21668 -7.58921  1.000 74.82027  ? 192 GLU A OE2 1 
ATOM   1367 N N   . ASP A 1 186 ? 2.47164   -28.93056 -7.08721  1.000 49.80162  ? 193 ASP A N   1 
ATOM   1368 C CA  . ASP A 1 186 ? 2.08581   -28.36243 -5.80176  1.000 51.61499  ? 193 ASP A CA  1 
ATOM   1369 C C   . ASP A 1 186 ? 1.36124   -27.02664 -5.92767  1.000 52.93689  ? 193 ASP A C   1 
ATOM   1370 O O   . ASP A 1 186 ? 1.13134   -26.36289 -4.91204  1.000 51.12193  ? 193 ASP A O   1 
ATOM   1371 C CB  . ASP A 1 186 ? 3.31640   -28.20622 -4.90400  1.000 53.72737  ? 193 ASP A CB  1 
ATOM   1372 C CG  . ASP A 1 186 ? 4.37526   -27.30231 -5.51052  1.000 58.99627  ? 193 ASP A CG  1 
ATOM   1373 O OD1 . ASP A 1 186 ? 4.25733   -26.95432 -6.70396  1.000 59.84725  ? 193 ASP A OD1 1 
ATOM   1374 O OD2 . ASP A 1 186 ? 5.32443   -26.93159 -4.78714  1.000 71.20734  ? 193 ASP A OD2 1 
ATOM   1375 N N   . GLN A 1 187 ? 0.98916   -26.62076 -7.14286  1.000 44.87291  ? 194 GLN A N   1 
ATOM   1376 C CA  . GLN A 1 187 ? 0.31391   -25.34901 -7.37140  1.000 47.44047  ? 194 GLN A CA  1 
ATOM   1377 C C   . GLN A 1 187 ? -1.11399  -25.52685 -7.88033  1.000 47.21080  ? 194 GLN A C   1 
ATOM   1378 O O   . GLN A 1 187 ? -1.66028  -24.61258 -8.50660  1.000 43.88254  ? 194 GLN A O   1 
ATOM   1379 C CB  . GLN A 1 187 ? 1.11365   -24.48553 -8.35051  1.000 42.75528  ? 194 GLN A CB  1 
ATOM   1380 C CG  . GLN A 1 187 ? 2.55022   -24.21481 -7.93418  1.000 43.72267  ? 194 GLN A CG  1 
ATOM   1381 C CD  . GLN A 1 187 ? 2.64957   -23.41444 -6.64768  1.000 49.47104  ? 194 GLN A CD  1 
ATOM   1382 O OE1 . GLN A 1 187 ? 1.78630   -22.59039 -6.34200  1.000 48.77428  ? 194 GLN A OE1 1 
ATOM   1383 N NE2 . GLN A 1 187 ? 3.71503   -23.64639 -5.89192  1.000 45.65325  ? 194 GLN A NE2 1 
ATOM   1384 N N   . THR A 1 188 ? -1.73817  -26.67703 -7.61019  1.000 46.56185  ? 195 THR A N   1 
ATOM   1385 C CA  . THR A 1 188 ? -3.08716  -26.93890 -8.10392  1.000 47.07156  ? 195 THR A CA  1 
ATOM   1386 C C   . THR A 1 188 ? -4.15318  -26.11187 -7.39704  1.000 51.22117  ? 195 THR A C   1 
ATOM   1387 O O   . THR A 1 188 ? -5.33515  -26.23797 -7.74157  1.000 51.77059  ? 195 THR A O   1 
ATOM   1388 C CB  . THR A 1 188 ? -3.42002  -28.42639 -7.96935  1.000 50.99300  ? 195 THR A CB  1 
ATOM   1389 O OG1 . THR A 1 188 ? -3.32323  -28.81693 -6.59324  1.000 50.14441  ? 195 THR A OG1 1 
ATOM   1390 C CG2 . THR A 1 188 ? -2.45416  -29.26038 -8.79569  1.000 55.16063  ? 195 THR A CG2 1 
ATOM   1391 N N   . GLU A 1 189 ? -3.77486  -25.27837 -6.42362  1.000 50.55387  ? 196 GLU A N   1 
ATOM   1392 C CA  . GLU A 1 189 ? -4.74366  -24.40458 -5.77334  1.000 51.45145  ? 196 GLU A CA  1 
ATOM   1393 C C   . GLU A 1 189 ? -5.32957  -23.38436 -6.73841  1.000 49.18954  ? 196 GLU A C   1 
ATOM   1394 O O   . GLU A 1 189 ? -6.43153  -22.88178 -6.49626  1.000 49.83176  ? 196 GLU A O   1 
ATOM   1395 C CB  . GLU A 1 189 ? -4.09806  -23.68410 -4.58477  1.000 47.99760  ? 196 GLU A CB  1 
ATOM   1396 C CG  . GLU A 1 189 ? -3.13673  -22.57434 -4.97460  1.000 51.62763  ? 196 GLU A CG  1 
ATOM   1397 C CD  . GLU A 1 189 ? -2.37378  -22.01468 -3.78933  1.000 52.14638  ? 196 GLU A CD  1 
ATOM   1398 O OE1 . GLU A 1 189 ? -1.36750  -22.63268 -3.38115  1.000 57.40490  ? 196 GLU A OE1 1 
ATOM   1399 O OE2 . GLU A 1 189 ? -2.78042  -20.95593 -3.26747  1.000 52.81899  ? 196 GLU A OE2 1 
ATOM   1400 N N   . TYR A 1 190 ? -4.62115  -23.06751 -7.81928  1.000 43.47524  ? 197 TYR A N   1 
ATOM   1401 C CA  . TYR A 1 190 ? -5.08849  -22.10479 -8.80733  1.000 46.51113  ? 197 TYR A CA  1 
ATOM   1402 C C   . TYR A 1 190 ? -6.02861  -22.72265 -9.83401  1.000 49.14207  ? 197 TYR A C   1 
ATOM   1403 O O   . TYR A 1 190 ? -6.30278  -22.09678 -10.86423 1.000 46.40310  ? 197 TYR A O   1 
ATOM   1404 C CB  . TYR A 1 190 ? -3.88687  -21.44970 -9.49165  1.000 42.52523  ? 197 TYR A CB  1 
ATOM   1405 C CG  . TYR A 1 190 ? -2.95987  -20.79857 -8.49421  1.000 40.58861  ? 197 TYR A CG  1 
ATOM   1406 C CD1 . TYR A 1 190 ? -3.36532  -19.68514 -7.77197  1.000 40.86481  ? 197 TYR A CD1 1 
ATOM   1407 C CD2 . TYR A 1 190 ? -1.69874  -21.32138 -8.23817  1.000 40.91261  ? 197 TYR A CD2 1 
ATOM   1408 C CE1 . TYR A 1 190 ? -2.53066  -19.09154 -6.84083  1.000 43.48276  ? 197 TYR A CE1 1 
ATOM   1409 C CE2 . TYR A 1 190 ? -0.85726  -20.73468 -7.30631  1.000 40.62535  ? 197 TYR A CE2 1 
ATOM   1410 C CZ  . TYR A 1 190 ? -1.27999  -19.62160 -6.61030  1.000 44.18351  ? 197 TYR A CZ  1 
ATOM   1411 O OH  . TYR A 1 190 ? -0.44822  -19.03320 -5.68589  1.000 42.02929  ? 197 TYR A OH  1 
ATOM   1412 N N   . LEU A 1 191 ? -6.52051  -23.93296 -9.56886  1.000 53.00131  ? 198 LEU A N   1 
ATOM   1413 C CA  . LEU A 1 191 ? -7.59931  -24.53825 -10.33326 1.000 52.15953  ? 198 LEU A CA  1 
ATOM   1414 C C   . LEU A 1 191 ? -8.94691  -24.40888 -9.63853  1.000 54.71763  ? 198 LEU A C   1 
ATOM   1415 O O   . LEU A 1 191 ? -9.97920  -24.64543 -10.27346 1.000 56.21896  ? 198 LEU A O   1 
ATOM   1416 C CB  . LEU A 1 191 ? -7.30326  -26.02263 -10.58975 1.000 46.65537  ? 198 LEU A CB  1 
ATOM   1417 C CG  . LEU A 1 191 ? -6.06796  -26.33702 -11.43773 1.000 50.80897  ? 198 LEU A CG  1 
ATOM   1418 C CD1 . LEU A 1 191 ? -5.89577  -27.83991 -11.60244 1.000 47.52187  ? 198 LEU A CD1 1 
ATOM   1419 C CD2 . LEU A 1 191 ? -6.14964  -25.64584 -12.79205 1.000 44.61060  ? 198 LEU A CD2 1 
ATOM   1420 N N   . GLU A 1 192 ? -8.95858  -24.04187 -8.35916  1.000 47.93270  ? 199 GLU A N   1 
ATOM   1421 C CA  . GLU A 1 192 ? -10.19396 -23.94615 -7.59615  1.000 50.45654  ? 199 GLU A CA  1 
ATOM   1422 C C   . GLU A 1 192 ? -10.90167 -22.62747 -7.87905  1.000 50.18905  ? 199 GLU A C   1 
ATOM   1423 O O   . GLU A 1 192 ? -10.26654 -21.57358 -7.98671  1.000 47.25691  ? 199 GLU A O   1 
ATOM   1424 C CB  . GLU A 1 192 ? -9.90273  -24.07831 -6.10135  1.000 55.96390  ? 199 GLU A CB  1 
ATOM   1425 C CG  . GLU A 1 192 ? -8.97088  -25.22849 -5.75866  1.000 60.20172  ? 199 GLU A CG  1 
ATOM   1426 C CD  . GLU A 1 192 ? -9.71906  -26.53012 -5.54089  1.000 74.09762  ? 199 GLU A CD  1 
ATOM   1427 O OE1 . GLU A 1 192 ? -10.96636 -26.49359 -5.46187  1.000 75.18554  ? 199 GLU A OE1 1 
ATOM   1428 O OE2 . GLU A 1 192 ? -9.06290  -27.59020 -5.45416  1.000 77.39658  ? 199 GLU A OE2 1 
ATOM   1429 N N   . GLU A 1 193 ? -12.22983 -22.69748 -7.99882  1.000 49.17134  ? 200 GLU A N   1 
ATOM   1430 C CA  . GLU A 1 193 ? -13.01468 -21.52165 -8.36282  1.000 50.44944  ? 200 GLU A CA  1 
ATOM   1431 C C   . GLU A 1 193 ? -12.87898 -20.41540 -7.32298  1.000 48.90813  ? 200 GLU A C   1 
ATOM   1432 O O   . GLU A 1 193 ? -12.64823 -19.25028 -7.66715  1.000 44.25484  ? 200 GLU A O   1 
ATOM   1433 C CB  . GLU A 1 193 ? -14.48061 -21.91206 -8.53893  1.000 52.76851  ? 200 GLU A CB  1 
ATOM   1434 C CG  . GLU A 1 193 ? -15.37405 -20.76998 -8.98382  1.000 52.06580  ? 200 GLU A CG  1 
ATOM   1435 C CD  . GLU A 1 193 ? -16.83961 -21.14924 -8.97814  1.000 67.43441  ? 200 GLU A CD  1 
ATOM   1436 O OE1 . GLU A 1 193 ? -17.14563 -22.33747 -8.74212  1.000 70.11616  ? 200 GLU A OE1 1 
ATOM   1437 O OE2 . GLU A 1 193 ? -17.68814 -20.26056 -9.20260  1.000 80.54160  ? 200 GLU A OE2 1 
ATOM   1438 N N   . ARG A 1 194 ? -13.02043 -20.76158 -6.03986  1.000 45.65606  ? 201 ARG A N   1 
ATOM   1439 C CA  . ARG A 1 194 ? -12.98685 -19.74233 -4.99561  1.000 47.87060  ? 201 ARG A CA  1 
ATOM   1440 C C   . ARG A 1 194 ? -11.61261 -19.09462 -4.88090  1.000 47.30941  ? 201 ARG A C   1 
ATOM   1441 O O   . ARG A 1 194 ? -11.51045 -17.94254 -4.44578  1.000 50.31576  ? 201 ARG A O   1 
ATOM   1442 C CB  . ARG A 1 194 ? -13.41090 -20.34318 -3.65327  1.000 49.14477  ? 201 ARG A CB  1 
ATOM   1443 C CG  . ARG A 1 194 ? -12.54929 -21.51194 -3.18974  1.000 59.00113  ? 201 ARG A CG  1 
ATOM   1444 C CD  . ARG A 1 194 ? -13.09145 -22.15115 -1.91670  1.000 60.16153  ? 201 ARG A CD  1 
ATOM   1445 N NE  . ARG A 1 194 ? -12.16947 -23.15001 -1.38693  1.000 65.08455  ? 201 ARG A NE  1 
ATOM   1446 C CZ  . ARG A 1 194 ? -12.21341 -23.63696 -0.15255  1.000 79.80481  ? 201 ARG A CZ  1 
ATOM   1447 N NH1 . ARG A 1 194 ? -13.14008 -23.25330 0.71318   1.000 65.62354  ? 201 ARG A NH1 1 
ATOM   1448 N NH2 . ARG A 1 194 ? -11.30375 -24.53082 0.22514   1.000 71.49130  ? 201 ARG A NH2 1 
ATOM   1449 N N   . ARG A 1 195 ? -10.55121 -19.80552 -5.27009  1.000 45.92123  ? 202 ARG A N   1 
ATOM   1450 C CA  . ARG A 1 195 ? -9.21670  -19.21474 -5.23919  1.000 43.62031  ? 202 ARG A CA  1 
ATOM   1451 C C   . ARG A 1 195 ? -8.99922  -18.26099 -6.40854  1.000 45.58966  ? 202 ARG A C   1 
ATOM   1452 O O   . ARG A 1 195 ? -8.39393  -17.19652 -6.23832  1.000 42.06820  ? 202 ARG A O   1 
ATOM   1453 C CB  . ARG A 1 195 ? -8.14872  -20.31128 -5.24066  1.000 40.83566  ? 202 ARG A CB  1 
ATOM   1454 C CG  . ARG A 1 195 ? -6.71251  -19.79171 -5.20649  1.000 44.76867  ? 202 ARG A CG  1 
ATOM   1455 C CD  . ARG A 1 195 ? -6.35429  -19.19972 -3.84151  1.000 48.96181  ? 202 ARG A CD  1 
ATOM   1456 N NE  . ARG A 1 195 ? -4.92337  -18.94454 -3.71632  1.000 49.21322  ? 202 ARG A NE  1 
ATOM   1457 C CZ  . ARG A 1 195 ? -4.38927  -17.74615 -3.51946  1.000 45.53482  ? 202 ARG A CZ  1 
ATOM   1458 N NH1 . ARG A 1 195 ? -5.14207  -16.66384 -3.39805  1.000 42.32174  ? 202 ARG A NH1 1 
ATOM   1459 N NH2 . ARG A 1 195 ? -3.06646  -17.63029 -3.44386  1.000 40.29976  ? 202 ARG A NH2 1 
ATOM   1460 N N   . ILE A 1 196 ? -9.48439  -18.62160 -7.59832  1.000 41.72829  ? 203 ILE A N   1 
ATOM   1461 C CA  . ILE A 1 196 ? -9.33013  -17.74724 -8.75794  1.000 44.63263  ? 203 ILE A CA  1 
ATOM   1462 C C   . ILE A 1 196 ? -10.16277 -16.48337 -8.58388  1.000 44.83899  ? 203 ILE A C   1 
ATOM   1463 O O   . ILE A 1 196 ? -9.69758  -15.37092 -8.86304  1.000 39.96101  ? 203 ILE A O   1 
ATOM   1464 C CB  . ILE A 1 196 ? -9.70504  -18.49297 -10.05030 1.000 42.32998  ? 203 ILE A CB  1 
ATOM   1465 C CG1 . ILE A 1 196 ? -8.72638  -19.63967 -10.31509 1.000 44.52630  ? 203 ILE A CG1 1 
ATOM   1466 C CG2 . ILE A 1 196 ? -9.71255  -17.53392 -11.22817 1.000 40.81268  ? 203 ILE A CG2 1 
ATOM   1467 C CD1 . ILE A 1 196 ? -9.31954  -20.75977 -11.14483 1.000 48.38636  ? 203 ILE A CD1 1 
ATOM   1468 N N   . LYS A 1 197 ? -11.41024 -16.64000 -8.12936  1.000 41.80185  ? 204 LYS A N   1 
ATOM   1469 C CA  . LYS A 1 197 ? -12.24877 -15.49008 -7.80359  1.000 44.20540  ? 204 LYS A CA  1 
ATOM   1470 C C   . LYS A 1 197 ? -11.52571 -14.53642 -6.86227  1.000 48.20838  ? 204 LYS A C   1 
ATOM   1471 O O   . LYS A 1 197 ? -11.52929 -13.31605 -7.06348  1.000 48.19416  ? 204 LYS A O   1 
ATOM   1472 C CB  . LYS A 1 197 ? -13.55552 -15.96221 -7.16384  1.000 45.25117  ? 204 LYS A CB  1 
ATOM   1473 C CG  . LYS A 1 197 ? -14.66665 -16.33036 -8.13037  1.000 51.54993  ? 204 LYS A CG  1 
ATOM   1474 C CD  . LYS A 1 197 ? -15.93642 -16.66050 -7.35632  1.000 50.04241  ? 204 LYS A CD  1 
ATOM   1475 C CE  . LYS A 1 197 ? -17.08298 -17.04483 -8.27428  1.000 59.52779  ? 204 LYS A CE  1 
ATOM   1476 N NZ  . LYS A 1 197 ? -18.11873 -17.82070 -7.53609  1.000 56.27637  ? 204 LYS A NZ  1 
ATOM   1477 N N   . GLU A 1 198 ? -10.88867 -15.09018 -5.82804  1.000 46.44666  ? 205 GLU A N   1 
ATOM   1478 C CA  . GLU A 1 198 ? -10.22732 -14.27004 -4.81964  1.000 47.13772  ? 205 GLU A CA  1 
ATOM   1479 C C   . GLU A 1 198 ? -9.07211  -13.47251 -5.41488  1.000 47.25102  ? 205 GLU A C   1 
ATOM   1480 O O   . GLU A 1 198 ? -8.89726  -12.28991 -5.09807  1.000 45.79407  ? 205 GLU A O   1 
ATOM   1481 C CB  . GLU A 1 198 ? -9.74296  -15.16413 -3.68004  1.000 42.11132  ? 205 GLU A CB  1 
ATOM   1482 C CG  . GLU A 1 198 ? -8.93469  -14.46082 -2.61564  1.000 45.38786  ? 205 GLU A CG  1 
ATOM   1483 C CD  . GLU A 1 198 ? -8.28349  -15.44317 -1.66167  1.000 53.95804  ? 205 GLU A CD  1 
ATOM   1484 O OE1 . GLU A 1 198 ? -7.57657  -16.35408 -2.14549  1.000 53.75699  ? 205 GLU A OE1 1 
ATOM   1485 O OE2 . GLU A 1 198 ? -8.48127  -15.30992 -0.43414  1.000 48.78448  ? 205 GLU A OE2 1 
ATOM   1486 N N   . ILE A 1 199 ? -8.27372  -14.09956 -6.28131  1.000 43.83242  ? 206 ILE A N   1 
ATOM   1487 C CA  . ILE A 1 199 ? -7.14529  -13.39918 -6.88688  1.000 47.03056  ? 206 ILE A CA  1 
ATOM   1488 C C   . ILE A 1 199 ? -7.63488  -12.31803 -7.84280  1.000 46.92656  ? 206 ILE A C   1 
ATOM   1489 O O   . ILE A 1 199 ? -7.10812  -11.19900 -7.85770  1.000 48.13643  ? 206 ILE A O   1 
ATOM   1490 C CB  . ILE A 1 199 ? -6.21525  -14.40062 -7.59427  1.000 44.96276  ? 206 ILE A CB  1 
ATOM   1491 C CG1 . ILE A 1 199 ? -5.69923  -15.44471 -6.60356  1.000 42.36562  ? 206 ILE A CG1 1 
ATOM   1492 C CG2 . ILE A 1 199 ? -5.05160  -13.67748 -8.25075  1.000 41.19970  ? 206 ILE A CG2 1 
ATOM   1493 C CD1 . ILE A 1 199 ? -4.93372  -16.56163 -7.26013  1.000 41.93860  ? 206 ILE A CD1 1 
ATOM   1494 N N   . VAL A 1 200 ? -8.65473  -12.63007 -8.64634  1.000 43.98111  ? 207 VAL A N   1 
ATOM   1495 C CA  . VAL A 1 200 ? -9.15358  -11.67225 -9.63213  1.000 42.00492  ? 207 VAL A CA  1 
ATOM   1496 C C   . VAL A 1 200 ? -9.74658  -10.45262 -8.93753  1.000 48.18346  ? 207 VAL A C   1 
ATOM   1497 O O   . VAL A 1 200 ? -9.48050  -9.30547  -9.31919  1.000 44.89765  ? 207 VAL A O   1 
ATOM   1498 C CB  . VAL A 1 200 ? -10.17868 -12.34659 -10.56232 1.000 42.27571  ? 207 VAL A CB  1 
ATOM   1499 C CG1 . VAL A 1 200 ? -10.94997 -11.29953 -11.34850 1.000 47.29380  ? 207 VAL A CG1 1 
ATOM   1500 C CG2 . VAL A 1 200 ? -9.48547  -13.32751 -11.49968 1.000 37.76749  ? 207 VAL A CG2 1 
ATOM   1501 N N   . LYS A 1 201 ? -10.55585 -10.68240 -7.89965  1.000 46.92217  ? 208 LYS A N   1 
ATOM   1502 C CA  . LYS A 1 201 ? -11.16809 -9.57589  -7.17165  1.000 48.84301  ? 208 LYS A CA  1 
ATOM   1503 C C   . LYS A 1 201 ? -10.12355 -8.71316  -6.47477  1.000 52.88288  ? 208 LYS A C   1 
ATOM   1504 O O   . LYS A 1 201 ? -10.35106 -7.51869  -6.25017  1.000 50.28338  ? 208 LYS A O   1 
ATOM   1505 C CB  . LYS A 1 201 ? -12.17565 -10.11917 -6.15719  1.000 52.67771  ? 208 LYS A CB  1 
ATOM   1506 C CG  . LYS A 1 201 ? -13.05664 -9.06283  -5.51135  1.000 51.72856  ? 208 LYS A CG  1 
ATOM   1507 C CD  . LYS A 1 201 ? -13.64638 -9.56623  -4.20268  1.000 59.91999  ? 208 LYS A CD  1 
ATOM   1508 C CE  . LYS A 1 201 ? -14.01736 -8.41663  -3.27834  1.000 68.83666  ? 208 LYS A CE  1 
ATOM   1509 N NZ  . LYS A 1 201 ? -12.97236 -8.17289  -2.24427  1.000 68.12043  ? 208 LYS A NZ  1 
ATOM   1510 N N   . LYS A 1 202 ? -8.96940  -9.29243  -6.14424  1.000 51.00495  ? 209 LYS A N   1 
ATOM   1511 C CA  . LYS A 1 202 ? -7.95127  -8.56808  -5.39262  1.000 51.59346  ? 209 LYS A CA  1 
ATOM   1512 C C   . LYS A 1 202 ? -7.02384  -7.77365  -6.30547  1.000 54.08989  ? 209 LYS A C   1 
ATOM   1513 O O   . LYS A 1 202 ? -6.60838  -6.66390  -5.95235  1.000 49.75972  ? 209 LYS A O   1 
ATOM   1514 C CB  . LYS A 1 202 ? -7.14624  -9.54856  -4.53692  1.000 50.64353  ? 209 LYS A CB  1 
ATOM   1515 C CG  . LYS A 1 202 ? -6.02947  -8.91741  -3.72122  1.000 52.29933  ? 209 LYS A CG  1 
ATOM   1516 C CD  . LYS A 1 202 ? -5.22764  -9.98757  -2.98963  1.000 54.67836  ? 209 LYS A CD  1 
ATOM   1517 C CE  . LYS A 1 202 ? -4.21114  -9.37629  -2.03678  1.000 55.76156  ? 209 LYS A CE  1 
ATOM   1518 N NZ  . LYS A 1 202 ? -3.60275  -10.40165 -1.14022  1.000 64.03420  ? 209 LYS A NZ  1 
ATOM   1519 N N   . HIS A 1 203 ? -6.69766  -8.31461  -7.48305  1.000 52.74988  ? 210 HIS A N   1 
ATOM   1520 C CA  . HIS A 1 203 ? -5.67839  -7.73142  -8.34155  1.000 49.13114  ? 210 HIS A CA  1 
ATOM   1521 C C   . HIS A 1 203 ? -6.18567  -7.23954  -9.68964  1.000 50.28107  ? 210 HIS A C   1 
ATOM   1522 O O   . HIS A 1 203 ? -5.48062  -6.45810  -10.33736 1.000 51.33332  ? 210 HIS A O   1 
ATOM   1523 C CB  . HIS A 1 203 ? -4.55203  -8.74706  -8.59127  1.000 48.27502  ? 210 HIS A CB  1 
ATOM   1524 C CG  . HIS A 1 203 ? -3.74931  -9.07390  -7.36978  1.000 51.70417  ? 210 HIS A CG  1 
ATOM   1525 N ND1 . HIS A 1 203 ? -3.03851  -8.12438  -6.66755  1.000 59.47603  ? 210 HIS A ND1 1 
ATOM   1526 C CD2 . HIS A 1 203 ? -3.54929  -10.24723 -6.72330  1.000 54.65753  ? 210 HIS A CD2 1 
ATOM   1527 C CE1 . HIS A 1 203 ? -2.43430  -8.69858  -5.64188  1.000 58.13434  ? 210 HIS A CE1 1 
ATOM   1528 N NE2 . HIS A 1 203 ? -2.72739  -9.98626  -5.65343  1.000 59.39252  ? 210 HIS A NE2 1 
ATOM   1529 N N   . SER A 1 204 ? -7.37666  -7.65766  -10.13030 1.000 49.42294  ? 211 SER A N   1 
ATOM   1530 C CA  . SER A 1 204 ? -7.84440  -7.31574  -11.46879 1.000 49.24543  ? 211 SER A CA  1 
ATOM   1531 C C   . SER A 1 204 ? -9.29878  -6.85755  -11.45633 1.000 52.37426  ? 211 SER A C   1 
ATOM   1532 O O   . SER A 1 204 ? -10.05463 -7.15494  -12.38704 1.000 53.70896  ? 211 SER A O   1 
ATOM   1533 C CB  . SER A 1 204 ? -7.67068  -8.50284  -12.42389 1.000 46.90786  ? 211 SER A CB  1 
ATOM   1534 O OG  . SER A 1 204 ? -6.33429  -8.98475  -12.39998 1.000 44.27547  ? 211 SER A OG  1 
ATOM   1535 N N   . GLN A 1 205 ? -9.70109  -6.11588  -10.42303 1.000 49.08200  ? 212 GLN A N   1 
ATOM   1536 C CA  . GLN A 1 205 ? -11.10531 -5.76568  -10.24973 1.000 59.54088  ? 212 GLN A CA  1 
ATOM   1537 C C   . GLN A 1 205 ? -11.56781 -4.68636  -11.22085 1.000 57.05763  ? 212 GLN A C   1 
ATOM   1538 O O   . GLN A 1 205 ? -12.77134 -4.57453  -11.47510 1.000 54.50459  ? 212 GLN A O   1 
ATOM   1539 C CB  . GLN A 1 205 ? -11.36907 -5.29829  -8.81108  1.000 57.15927  ? 212 GLN A CB  1 
ATOM   1540 C CG  . GLN A 1 205 ? -10.51114 -4.12735  -8.28237  1.000 67.92274  ? 212 GLN A CG  1 
ATOM   1541 C CD  . GLN A 1 205 ? -9.02377  -4.44139  -8.10310  1.000 73.25452  ? 212 GLN A CD  1 
ATOM   1542 O OE1 . GLN A 1 205 ? -8.41825  -5.17828  -8.88497  1.000 71.75600  ? 212 GLN A OE1 1 
ATOM   1543 N NE2 . GLN A 1 205 ? -8.43506  -3.88116  -7.05295  1.000 68.88413  ? 212 GLN A NE2 1 
ATOM   1544 N N   . PHE A 1 206 ? -10.64918 -3.88819  -11.76590 1.000 58.63188  ? 213 PHE A N   1 
ATOM   1545 C CA  . PHE A 1 206 ? -11.00786 -2.73136  -12.57794 1.000 55.61693  ? 213 PHE A CA  1 
ATOM   1546 C C   . PHE A 1 206 ? -10.62395 -2.89916  -14.04346 1.000 52.72949  ? 213 PHE A C   1 
ATOM   1547 O O   . PHE A 1 206 ? -10.48909 -1.90352  -14.76079 1.000 53.47757  ? 213 PHE A O   1 
ATOM   1548 C CB  . PHE A 1 206 ? -10.37244 -1.46736  -11.99840 1.000 55.80187  ? 213 PHE A CB  1 
ATOM   1549 C CG  . PHE A 1 206 ? -10.96227 -1.05056  -10.68057 1.000 58.90671  ? 213 PHE A CG  1 
ATOM   1550 C CD1 . PHE A 1 206 ? -12.33526 -0.93782  -10.52453 1.000 57.29997  ? 213 PHE A CD1 1 
ATOM   1551 C CD2 . PHE A 1 206 ? -10.14554 -0.77987  -9.59500  1.000 61.23320  ? 213 PHE A CD2 1 
ATOM   1552 C CE1 . PHE A 1 206 ? -12.87830 -0.55339  -9.31246  1.000 62.72124  ? 213 PHE A CE1 1 
ATOM   1553 C CE2 . PHE A 1 206 ? -10.68267 -0.39782  -8.38133  1.000 62.40266  ? 213 PHE A CE2 1 
ATOM   1554 C CZ  . PHE A 1 206 ? -12.04946 -0.28413  -8.23983  1.000 65.36316  ? 213 PHE A CZ  1 
ATOM   1555 N N   . ILE A 1 207 ? -10.43693 -4.13698  -14.50116 1.000 49.01147  ? 214 ILE A N   1 
ATOM   1556 C CA  . ILE A 1 207 ? -10.15795 -4.37670  -15.91097 1.000 45.11739  ? 214 ILE A CA  1 
ATOM   1557 C C   . ILE A 1 207 ? -11.39261 -4.02225  -16.72824 1.000 46.63541  ? 214 ILE A C   1 
ATOM   1558 O O   . ILE A 1 207 ? -12.51311 -4.43301  -16.40067 1.000 49.93891  ? 214 ILE A O   1 
ATOM   1559 C CB  . ILE A 1 207 ? -9.73118  -5.83434  -16.13657 1.000 42.22156  ? 214 ILE A CB  1 
ATOM   1560 C CG1 . ILE A 1 207 ? -8.43691  -6.13505  -15.37686 1.000 45.93107  ? 214 ILE A CG1 1 
ATOM   1561 C CG2 . ILE A 1 207 ? -9.55700  -6.11741  -17.61778 1.000 45.83829  ? 214 ILE A CG2 1 
ATOM   1562 C CD1 . ILE A 1 207 ? -7.21997  -5.41656  -15.93036 1.000 38.93658  ? 214 ILE A CD1 1 
ATOM   1563 N N   . GLY A 1 208 ? -11.19288 -3.25418  -17.79603 1.000 43.30105  ? 215 GLY A N   1 
ATOM   1564 C CA  . GLY A 1 208 ? -12.30153 -2.74631  -18.58114 1.000 46.59555  ? 215 GLY A CA  1 
ATOM   1565 C C   . GLY A 1 208 ? -12.84658 -3.70158  -19.62407 1.000 50.17854  ? 215 GLY A C   1 
ATOM   1566 O O   . GLY A 1 208 ? -13.31473 -3.26926  -20.68116 1.000 48.67931  ? 215 GLY A O   1 
ATOM   1567 N N   . TYR A 1 209 ? -12.79825 -4.99890  -19.34312 1.000 44.48305  ? 216 TYR A N   1 
ATOM   1568 C CA  . TYR A 1 209 ? -13.32000 -6.01621  -20.24032 1.000 42.84865  ? 216 TYR A CA  1 
ATOM   1569 C C   . TYR A 1 209 ? -13.92748 -7.13953  -19.41667 1.000 43.51542  ? 216 TYR A C   1 
ATOM   1570 O O   . TYR A 1 209 ? -13.45974 -7.42011  -18.30424 1.000 46.03645  ? 216 TYR A O   1 
ATOM   1571 C CB  . TYR A 1 209 ? -12.22524 -6.57132  -21.16741 1.000 42.19150  ? 216 TYR A CB  1 
ATOM   1572 C CG  . TYR A 1 209 ? -11.61827 -5.52822  -22.08160 1.000 46.50614  ? 216 TYR A CG  1 
ATOM   1573 C CD1 . TYR A 1 209 ? -12.25608 -5.14668  -23.25765 1.000 40.66368  ? 216 TYR A CD1 1 
ATOM   1574 C CD2 . TYR A 1 209 ? -10.41046 -4.92147  -21.76678 1.000 42.87625  ? 216 TYR A CD2 1 
ATOM   1575 C CE1 . TYR A 1 209 ? -11.70618 -4.18906  -24.09261 1.000 39.14799  ? 216 TYR A CE1 1 
ATOM   1576 C CE2 . TYR A 1 209 ? -9.85169  -3.96563  -22.59714 1.000 40.58033  ? 216 TYR A CE2 1 
ATOM   1577 C CZ  . TYR A 1 209 ? -10.50321 -3.60282  -23.75730 1.000 41.68282  ? 216 TYR A CZ  1 
ATOM   1578 O OH  . TYR A 1 209 ? -9.95297  -2.65213  -24.58643 1.000 42.97657  ? 216 TYR A OH  1 
ATOM   1579 N N   . PRO A 1 210 ? -14.97548 -7.78705  -19.92083 1.000 42.90131  ? 217 PRO A N   1 
ATOM   1580 C CA  . PRO A 1 210 ? -15.61798 -8.86256  -19.15418 1.000 43.25497  ? 217 PRO A CA  1 
ATOM   1581 C C   . PRO A 1 210 ? -14.67725 -10.04397 -18.96321 1.000 44.48676  ? 217 PRO A C   1 
ATOM   1582 O O   . PRO A 1 210 ? -14.10318 -10.56522 -19.92234 1.000 42.58601  ? 217 PRO A O   1 
ATOM   1583 C CB  . PRO A 1 210 ? -16.83757 -9.24059  -20.00400 1.000 42.54461  ? 217 PRO A CB  1 
ATOM   1584 C CG  . PRO A 1 210 ? -16.61548 -8.63567  -21.34278 1.000 40.15498  ? 217 PRO A CG  1 
ATOM   1585 C CD  . PRO A 1 210 ? -15.65430 -7.50831  -21.19893 1.000 38.83281  ? 217 PRO A CD  1 
ATOM   1586 N N   . ILE A 1 211 ? -14.52561 -10.46122 -17.70952 1.000 41.65161  ? 218 ILE A N   1 
ATOM   1587 C CA  . ILE A 1 211 ? -13.70138 -11.60504 -17.33745 1.000 43.38703  ? 218 ILE A CA  1 
ATOM   1588 C C   . ILE A 1 211 ? -14.64165 -12.70469 -16.86589 1.000 43.18809  ? 218 ILE A C   1 
ATOM   1589 O O   . ILE A 1 211 ? -15.27530 -12.58180 -15.81045 1.000 42.31152  ? 218 ILE A O   1 
ATOM   1590 C CB  . ILE A 1 211 ? -12.67917 -11.24541 -16.25058 1.000 43.94446  ? 218 ILE A CB  1 
ATOM   1591 C CG1 . ILE A 1 211 ? -11.70360 -10.18613 -16.76574 1.000 45.69371  ? 218 ILE A CG1 1 
ATOM   1592 C CG2 . ILE A 1 211 ? -11.92870 -12.48548 -15.79108 1.000 42.68867  ? 218 ILE A CG2 1 
ATOM   1593 C CD1 . ILE A 1 211 ? -10.64583 -9.77673  -15.76123 1.000 39.52442  ? 218 ILE A CD1 1 
ATOM   1594 N N   . THR A 1 212 ? -14.73895 -13.77804 -17.64365 1.000 42.94387  ? 219 THR A N   1 
ATOM   1595 C CA  . THR A 1 212 ? -15.60275 -14.90395 -17.31756 1.000 42.11117  ? 219 THR A CA  1 
ATOM   1596 C C   . THR A 1 212 ? -14.76300 -16.04364 -16.76002 1.000 45.06589  ? 219 THR A C   1 
ATOM   1597 O O   . THR A 1 212 ? -13.77916 -16.45967 -17.38136 1.000 41.68294  ? 219 THR A O   1 
ATOM   1598 C CB  . THR A 1 212 ? -16.38012 -15.38044 -18.54542 1.000 47.18311  ? 219 THR A CB  1 
ATOM   1599 O OG1 . THR A 1 212 ? -17.05554 -14.26911 -19.14542 1.000 48.53171  ? 219 THR A OG1 1 
ATOM   1600 C CG2 . THR A 1 212 ? -17.40190 -16.44110 -18.15290 1.000 39.09887  ? 219 THR A CG2 1 
ATOM   1601 N N   . LEU A 1 213 ? -15.15610 -16.54752 -15.59434 1.000 45.85162  ? 220 LEU A N   1 
ATOM   1602 C CA  . LEU A 1 213 ? -14.46942 -17.65796 -14.94708 1.000 41.39460  ? 220 LEU A CA  1 
ATOM   1603 C C   . LEU A 1 213 ? -15.28038 -18.92765 -15.17475 1.000 43.24009  ? 220 LEU A C   1 
ATOM   1604 O O   . LEU A 1 213 ? -16.37217 -19.08362 -14.61845 1.000 46.27035  ? 220 LEU A O   1 
ATOM   1605 C CB  . LEU A 1 213 ? -14.27706 -17.38522 -13.45753 1.000 43.76692  ? 220 LEU A CB  1 
ATOM   1606 C CG  . LEU A 1 213 ? -13.67131 -18.52924 -12.64141 1.000 45.95237  ? 220 LEU A CG  1 
ATOM   1607 C CD1 . LEU A 1 213 ? -12.34225 -18.97491 -13.23308 1.000 43.04937  ? 220 LEU A CD1 1 
ATOM   1608 C CD2 . LEU A 1 213 ? -13.50307 -18.11490 -11.18863 1.000 46.27512  ? 220 LEU A CD2 1 
ATOM   1609 N N   . PHE A 1 214 ? -14.74642 -19.82807 -15.99471 1.000 43.41167  ? 221 PHE A N   1 
ATOM   1610 C CA  . PHE A 1 214 ? -15.39926 -21.10460 -16.23810 1.000 43.35290  ? 221 PHE A CA  1 
ATOM   1611 C C   . PHE A 1 214 ? -15.29345 -21.99222 -15.00223 1.000 46.40013  ? 221 PHE A C   1 
ATOM   1612 O O   . PHE A 1 214 ? -14.38500 -21.84615 -14.18041 1.000 49.48892  ? 221 PHE A O   1 
ATOM   1613 C CB  . PHE A 1 214 ? -14.76646 -21.81905 -17.43661 1.000 46.60572  ? 221 PHE A CB  1 
ATOM   1614 C CG  . PHE A 1 214 ? -15.10341 -21.21090 -18.77737 1.000 43.14135  ? 221 PHE A CG  1 
ATOM   1615 C CD1 . PHE A 1 214 ? -15.20808 -19.83852 -18.94027 1.000 41.53991  ? 221 PHE A CD1 1 
ATOM   1616 C CD2 . PHE A 1 214 ? -15.30597 -22.02376 -19.88126 1.000 40.97494  ? 221 PHE A CD2 1 
ATOM   1617 C CE1 . PHE A 1 214 ? -15.51018 -19.29037 -20.17101 1.000 41.46462  ? 221 PHE A CE1 1 
ATOM   1618 C CE2 . PHE A 1 214 ? -15.61055 -21.47925 -21.11579 1.000 41.99569  ? 221 PHE A CE2 1 
ATOM   1619 C CZ  . PHE A 1 214 ? -15.71220 -20.11098 -21.25922 1.000 41.25298  ? 221 PHE A CZ  1 
ATOM   1620 N N   . VAL A 1 215 ? -16.23838 -22.92045 -14.87338 1.000 45.42809  ? 222 VAL A N   1 
ATOM   1621 C CA  . VAL A 1 215 ? -16.20655 -23.93642 -13.83099 1.000 50.18364  ? 222 VAL A CA  1 
ATOM   1622 C C   . VAL A 1 215 ? -16.23123 -25.31032 -14.49646 1.000 52.79484  ? 222 VAL A C   1 
ATOM   1623 O O   . VAL A 1 215 ? -16.43582 -25.43545 -15.70436 1.000 51.34499  ? 222 VAL A O   1 
ATOM   1624 C CB  . VAL A 1 215 ? -17.35983 -23.77902 -12.82219 1.000 53.70254  ? 222 VAL A CB  1 
ATOM   1625 C CG1 . VAL A 1 215 ? -17.36253 -22.37594 -12.25235 1.000 53.82005  ? 222 VAL A CG1 1 
ATOM   1626 C CG2 . VAL A 1 215 ? -18.68347 -24.05077 -13.49525 1.000 49.27280  ? 222 VAL A CG2 1 
ATOM   1627 N N   . GLU A 1 216 ? -16.00230 -26.34656 -13.69332 1.000 53.63361  ? 223 GLU A N   1 
ATOM   1628 C CA  . GLU A 1 216 ? -15.83376 -27.69941 -14.21438 1.000 58.70118  ? 223 GLU A CA  1 
ATOM   1629 C C   . GLU A 1 216 ? -16.90624 -28.64015 -13.66170 1.000 66.87264  ? 223 GLU A C   1 
ATOM   1630 O O   . GLU A 1 216 ? -17.87348 -28.21744 -13.02360 1.000 71.62074  ? 223 GLU A O   1 
ATOM   1631 C CB  . GLU A 1 216 ? -14.43576 -28.23754 -13.90095 1.000 62.77125  ? 223 GLU A CB  1 
ATOM   1632 C CG  . GLU A 1 216 ? -13.35869 -27.18926 -13.71294 1.000 59.98951  ? 223 GLU A CG  1 
ATOM   1633 C CD  . GLU A 1 216 ? -12.02848 -27.81036 -13.33233 1.000 62.47991  ? 223 GLU A CD  1 
ATOM   1634 O OE1 . GLU A 1 216 ? -11.73971 -28.92395 -13.82059 1.000 58.36030  ? 223 GLU A OE1 1 
ATOM   1635 O OE2 . GLU A 1 216 ? -11.27675 -27.19448 -12.54628 1.000 66.60252  ? 223 GLU A OE2 1 
ATOM   1636 N N   . LYS A 1 217 ? -16.71210 -29.93343 -13.91433 1.000 71.34534  ? 224 LYS A N   1 
ATOM   1637 C CA  . LYS A 1 217 ? -17.67828 -30.97392 -13.56502 1.000 76.41788  ? 224 LYS A CA  1 
ATOM   1638 C C   . LYS A 1 217 ? -17.89058 -31.12824 -12.05573 1.000 82.05967  ? 224 LYS A C   1 
ATOM   1639 O O   . LYS A 1 217 ? -16.95087 -31.34061 -11.28780 1.000 82.76766  ? 224 LYS A O   1 
ATOM   1640 C CB  . LYS A 1 217 ? -17.24339 -32.31245 -14.18098 1.000 82.40035  ? 224 LYS A CB  1 
ATOM   1641 C CG  . LYS A 1 217 ? -15.91322 -32.85744 -13.67084 1.000 83.11217  ? 224 LYS A CG  1 
ATOM   1642 C CD  . LYS A 1 217 ? -15.95159 -34.37233 -13.53202 1.000 77.78387  ? 224 LYS A CD  1 
ATOM   1643 C CE  . LYS A 1 217 ? -16.63219 -34.79454 -12.23708 1.000 84.25870  ? 224 LYS A CE  1 
ATOM   1644 N NZ  . LYS A 1 217 ? -16.15994 -33.99770 -11.07733 1.000 84.56066  ? 224 LYS A NZ  1 
HETATM 1645 F F12 . FMQ B 2 .   ? -0.02663  -5.96008  -28.24066 0.852 41.13372  ? 301 FMQ A F12 1 
HETATM 1646 C C9  . FMQ B 2 .   ? -0.13059  -7.08603  -27.48396 0.852 40.95165  ? 301 FMQ A C9  1 
HETATM 1647 C C8  . FMQ B 2 .   ? -0.12058  -6.96184  -26.12079 0.852 42.54489  ? 301 FMQ A C8  1 
HETATM 1648 C C7  . FMQ B 2 .   ? -0.22421  -8.10429  -25.35042 0.852 42.52884  ? 301 FMQ A C7  1 
HETATM 1649 C C10 . FMQ B 2 .   ? -0.24052  -8.29385  -28.11855 0.852 42.60392  ? 301 FMQ A C10 1 
HETATM 1650 C C11 . FMQ B 2 .   ? -0.34730  -9.43806  -27.35166 0.852 41.77100  ? 301 FMQ A C11 1 
HETATM 1651 C C6  . FMQ B 2 .   ? -0.33811  -9.34511  -25.96537 0.852 41.56531  ? 301 FMQ A C6  1 
HETATM 1652 N N3  . FMQ B 2 .   ? -0.44808  -10.50832 -25.18717 0.852 41.77609  ? 301 FMQ A N3  1 
HETATM 1653 C C2  . FMQ B 2 .   ? 0.48194   -11.16742 -24.43541 0.852 36.86179  ? 301 FMQ A C2  1 
HETATM 1654 C C13 . FMQ B 2 .   ? 1.89487   -10.73039 -24.28800 0.852 39.07778  ? 301 FMQ A C13 1 
HETATM 1655 N N4  . FMQ B 2 .   ? -1.65814  -11.15456 -25.12930 0.852 42.51187  ? 301 FMQ A N4  1 
HETATM 1656 C C5  . FMQ B 2 .   ? -1.46565  -12.19871 -24.34045 0.852 40.05323  ? 301 FMQ A C5  1 
HETATM 1657 C C1  . FMQ B 2 .   ? -0.17163  -12.26770 -23.88255 0.852 37.00394  ? 301 FMQ A C1  1 
HETATM 1658 C C14 . FMQ B 2 .   ? 0.42648   -13.29613 -22.97586 0.852 35.50220  ? 301 FMQ A C14 1 
HETATM 1659 O O15 . FMQ B 2 .   ? 0.28876   -12.96073 -21.60380 0.852 34.35718  ? 301 FMQ A O15 1 
HETATM 1660 O O   . HOH C 3 .   ? 8.02591   -22.47844 -37.08271 1.000 51.62297  ? 401 HOH A O   1 
HETATM 1661 O O   . HOH C 3 .   ? -10.28303 -14.51183 0.36632   1.000 52.69038  ? 402 HOH A O   1 
HETATM 1662 O O   . HOH C 3 .   ? -1.65144  -28.98227 -5.28734  1.000 53.42163  ? 403 HOH A O   1 
HETATM 1663 O O   . HOH C 3 .   ? 0.97595   -21.11155 -4.76924  1.000 47.92449  ? 404 HOH A O   1 
HETATM 1664 O O   . HOH C 3 .   ? -0.48542  -14.84135 -36.01288 1.000 39.97874  ? 405 HOH A O   1 
HETATM 1665 O O   . HOH C 3 .   ? -4.93060  -18.28690 -42.40355 1.000 59.47291  ? 406 HOH A O   1 
HETATM 1666 O O   . HOH C 3 .   ? -2.75713  -30.08750 -33.68521 1.000 72.56695  ? 407 HOH A O   1 
HETATM 1667 O O   . HOH C 3 .   ? -4.66362  -2.62513  -20.41806 1.000 47.55826  ? 408 HOH A O   1 
HETATM 1668 O O   . HOH C 3 .   ? -5.28024  -31.64170 -11.54363 1.000 53.77477  ? 409 HOH A O   1 
HETATM 1669 O O   . HOH C 3 .   ? -15.40046 -13.50939 -20.94565 1.000 46.18717  ? 410 HOH A O   1 
HETATM 1670 O O   . HOH C 3 .   ? 10.16613  -17.33389 -7.04380  1.000 43.16711  ? 411 HOH A O   1 
HETATM 1671 O O   . HOH C 3 .   ? -7.12526  -25.23753 -19.29008 1.000 37.63957  ? 412 HOH A O   1 
HETATM 1672 O O   . HOH C 3 .   ? 8.49373   -18.56543 -6.14226  1.000 46.68068  ? 413 HOH A O   1 
HETATM 1673 O O   . HOH C 3 .   ? 8.96614   -28.16094 -23.05612 1.000 51.57134  ? 414 HOH A O   1 
HETATM 1674 O O   . HOH C 3 .   ? 8.77641   -23.18005 -13.90107 1.000 48.92910  ? 415 HOH A O   1 
HETATM 1675 O O   . HOH C 3 .   ? 3.86278   -6.10964  -11.61799 1.000 51.52918  ? 416 HOH A O   1 
HETATM 1676 O O   . HOH C 3 .   ? -3.70334  -11.12784 -27.70437 1.000 40.14446  ? 417 HOH A O   1 
HETATM 1677 O O   . HOH C 3 .   ? 13.56553  -28.17596 -34.23138 1.000 48.86787  ? 418 HOH A O   1 
HETATM 1678 O O   . HOH C 3 .   ? 12.01992  -25.72299 -22.89859 1.000 42.04523  ? 419 HOH A O   1 
HETATM 1679 O O   . HOH C 3 .   ? -4.72788  -8.71597  -35.26648 1.000 45.96591  ? 420 HOH A O   1 
HETATM 1680 O O   . HOH C 3 .   ? 14.89044  -20.69253 -20.11910 1.000 45.03974  ? 421 HOH A O   1 
HETATM 1681 O O   . HOH C 3 .   ? -6.69254  -12.79306 -37.51922 1.000 43.89212  ? 422 HOH A O   1 
HETATM 1682 O O   . HOH C 3 .   ? -5.85000  0.85482   -37.68485 1.000 48.49143  ? 423 HOH A O   1 
HETATM 1683 O O   . HOH C 3 .   ? -19.79147 -14.15028 -19.11422 1.000 47.93384  ? 424 HOH A O   1 
HETATM 1684 O O   . HOH C 3 .   ? -4.71953  -7.44645  -14.03225 1.000 40.85363  ? 425 HOH A O   1 
HETATM 1685 O O   . HOH C 3 .   ? -15.23467 -26.17326 -18.08864 1.000 47.95657  ? 426 HOH A O   1 
HETATM 1686 O O   . HOH C 3 .   ? 5.56795   -25.01118 -30.41689 1.000 41.03875  ? 427 HOH A O   1 
HETATM 1687 O O   . HOH C 3 .   ? 10.74556  -12.50421 -29.37925 1.000 54.69318  ? 428 HOH A O   1 
HETATM 1688 O O   . HOH C 3 .   ? -3.82619  -14.72005 -23.25688 1.000 38.01895  ? 429 HOH A O   1 
HETATM 1689 O O   . HOH C 3 .   ? -13.43636 -16.24968 -3.34785  1.000 48.86669  ? 430 HOH A O   1 
HETATM 1690 O O   . HOH C 3 .   ? 4.52453   -7.00461  -18.27948 1.000 46.94359  ? 431 HOH A O   1 
HETATM 1691 O O   . HOH C 3 .   ? 9.00321   -20.43927 -8.45909  1.000 48.94584  ? 432 HOH A O   1 
HETATM 1692 O O   . HOH C 3 .   ? 14.92641  -14.08185 -26.06733 1.000 38.83903  ? 433 HOH A O   1 
HETATM 1693 O O   . HOH C 3 .   ? -5.96743  -28.17127 -21.28506 1.000 56.43523  ? 434 HOH A O   1 
HETATM 1694 O O   . HOH C 3 .   ? -1.41804  -25.35739 -4.33239  1.000 52.01806  ? 435 HOH A O   1 
HETATM 1695 O O   . HOH C 3 .   ? -8.41289  -2.61501  -18.43079 1.000 48.60991  ? 436 HOH A O   1 
HETATM 1696 O O   . HOH C 3 .   ? 14.51670  -26.47435 -34.98103 1.000 39.90137  ? 437 HOH A O   1 
HETATM 1697 O O   . HOH C 3 .   ? -2.50838  -13.42048 -21.18244 1.000 41.74044  ? 438 HOH A O   1 
HETATM 1698 O O   . HOH C 3 .   ? 5.74392   -30.37339 -10.97725 1.000 57.90418  ? 439 HOH A O   1 
HETATM 1699 O O   . HOH C 3 .   ? -17.97715 -11.10142 -24.93198 1.000 50.07043  ? 440 HOH A O   1 
HETATM 1700 O O   . HOH C 3 .   ? 2.40526   -7.98798  -17.45408 1.000 41.00149  ? 441 HOH A O   1 
HETATM 1701 O O   . HOH C 3 .   ? -13.99787 -12.03157 -30.99116 1.000 51.88632  ? 442 HOH A O   1 
HETATM 1702 O O   . HOH C 3 .   ? 12.75888  -28.86966 -29.00255 1.000 51.50609  ? 443 HOH A O   1 
HETATM 1703 O O   . HOH C 3 .   ? -6.04270  -13.89703 0.29872   1.000 49.51251  ? 444 HOH A O   1 
HETATM 1704 O O   . HOH C 3 .   ? 10.28540  -16.27711 -27.38575 1.000 45.66370  ? 445 HOH A O   1 
HETATM 1705 O O   . HOH C 3 .   ? 10.63830  -26.51446 -16.15700 1.000 51.15604  ? 446 HOH A O   1 
HETATM 1706 O O   . HOH C 3 .   ? 5.42627   -12.26652 -38.70745 1.000 52.79733  ? 447 HOH A O   1 
HETATM 1707 O O   . HOH C 3 .   ? 4.67896   -9.24185  -20.46758 1.000 45.49426  ? 448 HOH A O   1 
HETATM 1708 O O   . HOH C 3 .   ? 19.64662  -19.88372 -23.88448 1.000 47.47875  ? 449 HOH A O   1 
HETATM 1709 O O   . HOH C 3 .   ? -7.88292  -5.21638  -42.32330 1.000 55.90494  ? 450 HOH A O   1 
HETATM 1710 O O   . HOH C 3 .   ? -17.39738 -15.20396 -14.02741 1.000 52.20871  ? 451 HOH A O   1 
HETATM 1711 O O   . HOH C 3 .   ? 11.97083  -26.16466 -26.02020 1.000 47.15371  ? 452 HOH A O   1 
HETATM 1712 O O   . HOH C 3 .   ? -12.91174 -26.98072 -18.17738 1.000 47.72810  ? 453 HOH A O   1 
HETATM 1713 O O   . HOH C 3 .   ? 14.39813  -15.45342 -1.02166  1.000 55.42135  ? 454 HOH A O   1 
HETATM 1714 O O   . HOH C 3 .   ? -14.88030 -6.96860  -15.60290 1.000 51.80953  ? 455 HOH A O   1 
HETATM 1715 O O   . HOH C 3 .   ? -3.15668  0.07120   -23.20290 1.000 49.16632  ? 456 HOH A O   1 
HETATM 1716 O O   . HOH C 3 .   ? -14.00616 -12.33197 -8.72981  1.000 52.32129  ? 457 HOH A O   1 
HETATM 1717 O O   . HOH C 3 .   ? -13.41843 -25.60222 -7.81136  1.000 52.29720  ? 458 HOH A O   1 
HETATM 1718 O O   . HOH C 3 .   ? 16.23883  -18.27080 -2.85137  1.000 55.68999  ? 459 HOH A O   1 
HETATM 1719 O O   . HOH C 3 .   ? -4.59468  -5.95341  -36.70655 1.000 45.07641  ? 460 HOH A O   1 
HETATM 1720 O O   . HOH C 3 .   ? -10.33098 -32.98221 -20.88349 1.000 58.38432  ? 461 HOH A O   1 
HETATM 1721 O O   . HOH C 3 .   ? -11.67993 -27.25363 -20.18182 1.000 45.48228  ? 462 HOH A O   1 
HETATM 1722 O O   . HOH C 3 .   ? -12.10756 -32.44168 -19.01186 1.000 58.45130  ? 463 HOH A O   1 
HETATM 1723 O O   . HOH C 3 .   ? -8.98074  -26.38916 -21.08023 1.000 49.99466  ? 464 HOH A O   1 
HETATM 1724 O O   . HOH C 3 .   ? -18.17527 -12.06815 -22.45093 1.000 50.33301  ? 465 HOH A O   1 
HETATM 1725 O O   . HOH C 3 .   ? -14.15011 -29.61533 -17.54270 1.000 56.83694  ? 466 HOH A O   1 
HETATM 1726 O O   . HOH C 3 .   ? 21.50127  -19.39619 -22.03184 1.000 56.17514  ? 467 HOH A O   1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . GLU A 9   ? 0.91299 0.94307 0.80996 -0.02071 -0.03863 -0.21174 16  GLU A N   
2    C CA  . GLU A 9   ? 0.90109 0.92432 0.78881 -0.00252 -0.03662 -0.19368 16  GLU A CA  
3    C C   . GLU A 9   ? 0.83239 0.85334 0.73629 0.00608  -0.03758 -0.17205 16  GLU A C   
4    O O   . GLU A 9   ? 0.77128 0.81769 0.68541 0.00836  -0.04754 -0.16280 16  GLU A O   
5    C CB  . GLU A 9   ? 0.96963 1.02416 0.84243 0.00429  -0.04605 -0.19163 16  GLU A CB  
6    C CG  . GLU A 9   ? 1.08784 1.13197 0.94381 0.01657  -0.03865 -0.18430 16  GLU A CG  
7    C CD  . GLU A 9   ? 1.15609 1.21378 1.01304 0.02845  -0.04253 -0.16091 16  GLU A CD  
8    O OE1 . GLU A 9   ? 1.02822 1.09221 0.90070 0.02960  -0.04862 -0.14850 16  GLU A OE1 
9    O OE2 . GLU A 9   ? 1.17554 1.23635 1.01712 0.03581  -0.03809 -0.15569 16  GLU A OE2 
10   N N   . VAL A 10  ? 0.77767 0.76814 0.68263 0.01218  -0.02743 -0.16472 17  VAL A N   
11   C CA  . VAL A 10  ? 0.70426 0.68966 0.62324 0.01856  -0.02720 -0.14739 17  VAL A CA  
12   C C   . VAL A 10  ? 0.64691 0.63187 0.56105 0.03273  -0.02498 -0.13368 17  VAL A C   
13   O O   . VAL A 10  ? 0.63736 0.60799 0.54130 0.03898  -0.01735 -0.13762 17  VAL A O   
14   C CB  . VAL A 10  ? 0.69894 0.65246 0.62268 0.01354  -0.01783 -0.14992 17  VAL A CB  
15   C CG1 . VAL A 10  ? 0.64938 0.59959 0.58477 0.02095  -0.01793 -0.13283 17  VAL A CG1 
16   C CG2 . VAL A 10  ? 0.72471 0.68046 0.65475 -0.00460 -0.01769 -0.16498 17  VAL A CG2 
17   N N   . GLU A 11  ? 0.59864 0.59955 0.52058 0.03751  -0.03075 -0.11873 18  GLU A N   
18   C CA  . GLU A 11  ? 0.59461 0.59731 0.51508 0.04692  -0.02773 -0.10625 18  GLU A CA  
19   C C   . GLU A 11  ? 0.59722 0.58789 0.53077 0.05028  -0.02503 -0.09714 18  GLU A C   
20   O O   . GLU A 11  ? 0.56246 0.55249 0.50664 0.04661  -0.02866 -0.09342 18  GLU A O   
21   C CB  . GLU A 11  ? 0.56239 0.58535 0.47839 0.04873  -0.03397 -0.09567 18  GLU A CB  
22   C CG  . GLU A 11  ? 0.63118 0.66812 0.52877 0.04816  -0.03625 -0.10209 18  GLU A CG  
23   C CD  . GLU A 11  ? 0.71162 0.76437 0.60071 0.05123  -0.04330 -0.08959 18  GLU A CD  
24   O OE1 . GLU A 11  ? 0.73032 0.79171 0.62577 0.05122  -0.05251 -0.08711 18  GLU A OE1 
25   O OE2 . GLU A 11  ? 0.79189 0.84792 0.66708 0.05435  -0.03880 -0.08196 18  GLU A OE2 
26   N N   . THR A 12  ? 0.53740 0.52209 0.47018 0.05803  -0.01886 -0.09452 19  THR A N   
27   C CA  . THR A 12  ? 0.55378 0.53096 0.49656 0.06275  -0.01714 -0.08702 19  THR A CA  
28   C C   . THR A 12  ? 0.57434 0.56872 0.52273 0.06519  -0.01742 -0.07740 19  THR A C   
29   O O   . THR A 12  ? 0.53952 0.54625 0.48275 0.06744  -0.01396 -0.07828 19  THR A O   
30   C CB  . THR A 12  ? 0.59455 0.55320 0.53236 0.07148  -0.01058 -0.09229 19  THR A CB  
31   O OG1 . THR A 12  ? 0.65254 0.58845 0.58277 0.06622  -0.00792 -0.10153 19  THR A OG1 
32   C CG2 . THR A 12  ? 0.53247 0.48697 0.47804 0.07803  -0.01052 -0.08421 19  THR A CG2 
33   N N   . PHE A 13  ? 0.50544 0.50019 0.46383 0.06325  -0.02020 -0.06944 20  PHE A N   
34   C CA  . PHE A 13  ? 0.53769 0.54484 0.50179 0.06204  -0.01941 -0.06174 20  PHE A CA  
35   C C   . PHE A 13  ? 0.58354 0.58949 0.55750 0.06531  -0.01902 -0.06011 20  PHE A C   
36   O O   . PHE A 13  ? 0.53915 0.53183 0.51422 0.06750  -0.02053 -0.06113 20  PHE A O   
37   C CB  . PHE A 13  ? 0.48622 0.49377 0.45016 0.05614  -0.02330 -0.05395 20  PHE A CB  
38   C CG  . PHE A 13  ? 0.52677 0.53788 0.47905 0.05498  -0.02624 -0.05436 20  PHE A CG  
39   C CD1 . PHE A 13  ? 0.52416 0.53299 0.47546 0.05443  -0.03117 -0.06079 20  PHE A CD1 
40   C CD2 . PHE A 13  ? 0.59840 0.61668 0.53972 0.05355  -0.02384 -0.04859 20  PHE A CD2 
41   C CE1 . PHE A 13  ? 0.56126 0.57907 0.50189 0.05383  -0.03571 -0.06271 20  PHE A CE1 
42   C CE2 . PHE A 13  ? 0.62551 0.64844 0.55243 0.05428  -0.02768 -0.04823 20  PHE A CE2 
43   C CZ  . PHE A 13  ? 0.57511 0.59990 0.50222 0.05509  -0.03469 -0.05586 20  PHE A CZ  
44   N N   . ALA A 14  ? 0.51197 0.53347 0.49222 0.06450  -0.01656 -0.05807 21  ALA A N   
45   C CA  . ALA A 14  ? 0.52971 0.55657 0.51960 0.06624  -0.01773 -0.05751 21  ALA A CA  
46   C C   . ALA A 14  ? 0.60218 0.62544 0.59664 0.05657  -0.01926 -0.05221 21  ALA A C   
47   O O   . ALA A 14  ? 0.61530 0.63968 0.60740 0.04899  -0.01685 -0.04817 21  ALA A O   
48   C CB  . ALA A 14  ? 0.44509 0.49692 0.44227 0.07004  -0.01438 -0.06147 21  ALA A CB  
49   N N   . PHE A 15  ? 0.52548 0.54127 0.52362 0.05758  -0.02230 -0.05197 22  PHE A N   
50   C CA  . PHE A 15  ? 0.57827 0.58995 0.58078 0.04959  -0.02276 -0.04916 22  PHE A CA  
51   C C   . PHE A 15  ? 0.55199 0.58029 0.56108 0.04180  -0.01922 -0.05095 22  PHE A C   
52   O O   . PHE A 15  ? 0.52334 0.57276 0.53767 0.04471  -0.01808 -0.05567 22  PHE A O   
53   C CB  . PHE A 15  ? 0.55621 0.56050 0.56035 0.05251  -0.02564 -0.05060 22  PHE A CB  
54   C CG  . PHE A 15  ? 0.54021 0.52785 0.54052 0.05452  -0.02688 -0.04898 22  PHE A CG  
55   C CD1 . PHE A 15  ? 0.58329 0.56330 0.58475 0.05070  -0.02741 -0.04593 22  PHE A CD1 
56   C CD2 . PHE A 15  ? 0.52501 0.50489 0.52032 0.06046  -0.02676 -0.05067 22  PHE A CD2 
57   C CE1 . PHE A 15  ? 0.49862 0.47135 0.50056 0.05219  -0.02859 -0.04645 22  PHE A CE1 
58   C CE2 . PHE A 15  ? 0.52700 0.49462 0.52081 0.05885  -0.02605 -0.05086 22  PHE A CE2 
59   C CZ  . PHE A 15  ? 0.50719 0.47516 0.50650 0.05439  -0.02737 -0.04969 22  PHE A CZ  
60   N N   . GLN A 16  ? 0.60536 0.62414 0.61441 0.03175  -0.01665 -0.04791 23  GLN A N   
61   C CA  . GLN A 16  ? 0.64768 0.67936 0.66399 0.02025  -0.01216 -0.05194 23  GLN A CA  
62   C C   . GLN A 16  ? 0.63690 0.68436 0.66204 0.02277  -0.01665 -0.05995 23  GLN A C   
63   O O   . GLN A 16  ? 0.63008 0.66735 0.65213 0.03054  -0.02161 -0.05975 23  GLN A O   
64   C CB  . GLN A 16  ? 0.71736 0.72614 0.72845 0.00917  -0.00741 -0.04737 23  GLN A CB  
65   C CG  . GLN A 16  ? 0.70591 0.70446 0.70611 0.00399  -0.00074 -0.03919 23  GLN A CG  
66   C CD  . GLN A 16  ? 0.83758 0.80691 0.82870 -0.00529 0.00531  -0.03322 23  GLN A CD  
67   O OE1 . GLN A 16  ? 0.86982 0.83763 0.86066 -0.02057 0.01452  -0.03466 23  GLN A OE1 
68   N NE2 . GLN A 16  ? 0.86140 0.80696 0.84500 0.00394  0.00110  -0.02707 23  GLN A NE2 
69   N N   . ALA A 17  ? 0.66385 0.73940 0.69957 0.01611  -0.01469 -0.06746 24  ALA A N   
70   C CA  . ALA A 17  ? 0.61987 0.71833 0.66320 0.02113  -0.02084 -0.07576 24  ALA A CA  
71   C C   . ALA A 17  ? 0.67235 0.75438 0.71216 0.01674  -0.02358 -0.07777 24  ALA A C   
72   O O   . ALA A 17  ? 0.67927 0.76497 0.71573 0.02708  -0.03004 -0.07972 24  ALA A O   
73   C CB  . ALA A 17  ? 0.63911 0.77692 0.69774 0.01196  -0.01830 -0.08568 24  ALA A CB  
74   N N   . GLU A 18  ? 0.63715 0.69808 0.67492 0.00255  -0.01783 -0.07693 25  GLU A N   
75   C CA  . GLU A 18  ? 0.66291 0.70673 0.69696 -0.00146 -0.01897 -0.08057 25  GLU A CA  
76   C C   . GLU A 18  ? 0.64175 0.66332 0.66648 0.01209  -0.02255 -0.07371 25  GLU A C   
77   O O   . GLU A 18  ? 0.67305 0.69227 0.69446 0.01555  -0.02578 -0.07771 25  GLU A O   
78   C CB  . GLU A 18  ? 0.71527 0.73553 0.74709 -0.01811 -0.01029 -0.08088 25  GLU A CB  
79   C CG  . GLU A 18  ? 0.78567 0.82628 0.82700 -0.03716 -0.00411 -0.09005 25  GLU A CG  
80   C CD  . GLU A 18  ? 0.92074 0.97073 0.96388 -0.04048 0.00194  -0.08401 25  GLU A CD  
81   O OE1 . GLU A 18  ? 0.85349 0.89006 0.88817 -0.02811 0.00090  -0.07264 25  GLU A OE1 
82   O OE2 . GLU A 18  ? 1.03798 1.11124 1.09115 -0.05644 0.00822  -0.09191 25  GLU A OE2 
83   N N   . ILE A 19  ? 0.63374 0.64134 0.65399 0.01873  -0.02153 -0.06450 26  ILE A N   
84   C CA  . ILE A 19  ? 0.60943 0.60080 0.62393 0.02886  -0.02395 -0.05989 26  ILE A CA  
85   C C   . ILE A 19  ? 0.59774 0.59970 0.60944 0.03934  -0.02823 -0.06108 26  ILE A C   
86   O O   . ILE A 19  ? 0.59108 0.58436 0.59770 0.04375  -0.02918 -0.06139 26  ILE A O   
87   C CB  . ILE A 19  ? 0.62866 0.60783 0.63995 0.03202  -0.02269 -0.05189 26  ILE A CB  
88   C CG1 . ILE A 19  ? 0.67376 0.63612 0.68243 0.02488  -0.01822 -0.04814 26  ILE A CG1 
89   C CG2 . ILE A 19  ? 0.60658 0.57679 0.61569 0.04042  -0.02504 -0.04980 26  ILE A CG2 
90   C CD1 . ILE A 19  ? 0.68685 0.62955 0.69387 0.02806  -0.01790 -0.04757 26  ILE A CD1 
91   N N   . ALA A 20  ? 0.53766 0.55642 0.55073 0.04435  -0.02972 -0.06135 27  ALA A N   
92   C CA  . ALA A 20  ? 0.55586 0.57996 0.56268 0.05691  -0.03317 -0.06136 27  ALA A CA  
93   C C   . ALA A 20  ? 0.57139 0.60677 0.57600 0.05838  -0.03702 -0.06645 27  ALA A C   
94   O O   . ALA A 20  ? 0.54723 0.57433 0.54038 0.06756  -0.03869 -0.06418 27  ALA A O   
95   C CB  . ALA A 20  ? 0.53231 0.57354 0.54162 0.06428  -0.03370 -0.06189 27  ALA A CB  
96   N N   . GLN A 21  ? 0.61757 0.67148 0.63127 0.04822  -0.03778 -0.07387 28  GLN A N   
97   C CA  . GLN A 21  ? 0.63324 0.70131 0.64474 0.04747  -0.04223 -0.08140 28  GLN A CA  
98   C C   . GLN A 21  ? 0.60262 0.64629 0.60436 0.04557  -0.04028 -0.08065 28  GLN A C   
99   O O   . GLN A 21  ? 0.63839 0.68449 0.62897 0.05268  -0.04364 -0.08200 28  GLN A O   
100  C CB  . GLN A 21  ? 0.68087 0.77238 0.70575 0.03202  -0.04170 -0.09213 28  GLN A CB  
101  C CG  . GLN A 21  ? 0.90653 1.02653 0.93191 0.03143  -0.04849 -0.10340 28  GLN A CG  
102  C CD  . GLN A 21  ? 1.07676 1.22656 1.11880 0.01372  -0.04726 -0.11637 28  GLN A CD  
103  O OE1 . GLN A 21  ? 0.91633 1.05693 0.96657 -0.00043 -0.03909 -0.11579 28  GLN A OE1 
104  N NE2 . GLN A 21  ? 1.03920 1.22573 1.08519 0.01366  -0.05497 -0.12847 28  GLN A NE2 
105  N N   . LEU A 22  ? 0.56791 0.58889 0.57244 0.03757  -0.03459 -0.07830 29  LEU A N   
106  C CA  . LEU A 22  ? 0.60220 0.60290 0.60013 0.03725  -0.03170 -0.07859 29  LEU A CA  
107  C C   . LEU A 22  ? 0.63710 0.62754 0.62519 0.04818  -0.03114 -0.07170 29  LEU A C   
108  O O   . LEU A 22  ? 0.60930 0.59438 0.58757 0.05075  -0.03000 -0.07334 29  LEU A O   
109  C CB  . LEU A 22  ? 0.54100 0.52138 0.54450 0.03046  -0.02631 -0.07671 29  LEU A CB  
110  C CG  . LEU A 22  ? 0.61397 0.57613 0.61367 0.03260  -0.02265 -0.07770 29  LEU A CG  
111  C CD1 . LEU A 22  ? 0.60211 0.56714 0.59614 0.02812  -0.02246 -0.08822 29  LEU A CD1 
112  C CD2 . LEU A 22  ? 0.62172 0.56488 0.62632 0.03098  -0.01853 -0.07430 29  LEU A CD2 
113  N N   . MET A 23  ? 0.57807 0.56444 0.56722 0.05319  -0.03062 -0.06481 30  MET A N   
114  C CA  . MET A 23  ? 0.62987 0.60281 0.60947 0.06006  -0.02797 -0.05940 30  MET A CA  
115  C C   . MET A 23  ? 0.60316 0.57884 0.56702 0.06923  -0.03003 -0.05818 30  MET A C   
116  O O   . MET A 23  ? 0.62837 0.59241 0.57997 0.07092  -0.02638 -0.05664 30  MET A O   
117  C CB  . MET A 23  ? 0.56852 0.53701 0.55132 0.06216  -0.02709 -0.05490 30  MET A CB  
118  C CG  . MET A 23  ? 0.57620 0.53953 0.56930 0.05590  -0.02522 -0.05432 30  MET A CG  
119  S SD  . MET A 23  ? 0.62719 0.59081 0.62236 0.05723  -0.02562 -0.05150 30  MET A SD  
120  C CE  . MET A 23  ? 0.61681 0.56650 0.60752 0.05700  -0.02128 -0.05133 30  MET A CE  
121  N N   . SER A 24  ? 0.55397 0.54658 0.51702 0.07630  -0.03562 -0.05871 31  SER A N   
122  C CA  . SER A 24  ? 0.61025 0.60745 0.55618 0.08926  -0.03935 -0.05645 31  SER A CA  
123  C C   . SER A 24  ? 0.64929 0.65328 0.58689 0.08672  -0.04132 -0.06153 31  SER A C   
124  O O   . SER A 24  ? 0.67378 0.66983 0.59030 0.09608  -0.04121 -0.05713 31  SER A O   
125  C CB  . SER A 24  ? 0.62332 0.64640 0.57454 0.09874  -0.04630 -0.05837 31  SER A CB  
126  O OG  . SER A 24  ? 0.79060 0.83271 0.73080 0.10921  -0.05351 -0.06049 31  SER A OG  
127  N N   . LEU A 25  ? 0.57002 0.58565 0.52092 0.07408  -0.04220 -0.07083 32  LEU A N   
128  C CA  . LEU A 25  ? 0.61075 0.63051 0.55308 0.07013  -0.04298 -0.07815 32  LEU A CA  
129  C C   . LEU A 25  ? 0.61457 0.60877 0.54599 0.06909  -0.03454 -0.07433 32  LEU A C   
130  O O   . LEU A 25  ? 0.65990 0.65268 0.57330 0.07266  -0.03384 -0.07545 32  LEU A O   
131  C CB  . LEU A 25  ? 0.60406 0.63539 0.56237 0.05514  -0.04361 -0.09018 32  LEU A CB  
132  C CG  . LEU A 25  ? 0.69307 0.73430 0.64345 0.04955  -0.04575 -0.10222 32  LEU A CG  
133  C CD1 . LEU A 25  ? 0.74536 0.81887 0.70673 0.04136  -0.05274 -0.11469 32  LEU A CD1 
134  C CD2 . LEU A 25  ? 0.71587 0.73351 0.66868 0.03960  -0.03731 -0.10697 32  LEU A CD2 
135  N N   . ILE A 26  ? 0.60888 0.58607 0.55081 0.06439  -0.02798 -0.07040 33  ILE A N   
136  C CA  . ILE A 26  ? 0.62318 0.58279 0.55954 0.06254  -0.01925 -0.06845 33  ILE A CA  
137  C C   . ILE A 26  ? 0.62649 0.57297 0.54293 0.07018  -0.01513 -0.05935 33  ILE A C   
138  O O   . ILE A 26  ? 0.60018 0.53729 0.50177 0.06996  -0.00835 -0.05850 33  ILE A O   
139  C CB  . ILE A 26  ? 0.63912 0.59108 0.59433 0.05660  -0.01505 -0.06803 33  ILE A CB  
140  C CG1 . ILE A 26  ? 0.57597 0.53001 0.54298 0.05031  -0.01527 -0.07616 33  ILE A CG1 
141  C CG2 . ILE A 26  ? 0.63300 0.57319 0.58579 0.05573  -0.00618 -0.06507 33  ILE A CG2 
142  C CD1 . ILE A 26  ? 0.64073 0.58940 0.62397 0.04812  -0.01428 -0.07392 33  ILE A CD1 
143  N N   . ILE A 27  ? 0.69231 0.63532 0.60583 0.07703  -0.01776 -0.05250 34  ILE A N   
144  C CA  . ILE A 27  ? 0.69734 0.61918 0.58890 0.08422  -0.01198 -0.04312 34  ILE A CA  
145  C C   . ILE A 27  ? 0.68690 0.61048 0.55176 0.09624  -0.01562 -0.03943 34  ILE A C   
146  O O   . ILE A 27  ? 0.79385 0.69611 0.63403 0.09965  -0.00780 -0.03209 34  ILE A O   
147  C CB  . ILE A 27  ? 0.69886 0.61182 0.59376 0.08891  -0.01259 -0.03812 34  ILE A CB  
148  C CG1 . ILE A 27  ? 0.63906 0.55212 0.55692 0.07748  -0.00969 -0.04190 34  ILE A CG1 
149  C CG2 . ILE A 27  ? 0.78322 0.66635 0.65195 0.09623  -0.00493 -0.02847 34  ILE A CG2 
150  C CD1 . ILE A 27  ? 0.59877 0.52207 0.52913 0.08037  -0.01580 -0.04284 34  ILE A CD1 
151  N N   . ASN A 28  ? 0.67806 0.62814 0.54612 0.10230  -0.02707 -0.04467 35  ASN A N   
152  C CA  . ASN A 28  ? 0.72944 0.68770 0.57217 0.11740  -0.03366 -0.04118 35  ASN A CA  
153  C C   . ASN A 28  ? 0.72887 0.69936 0.56026 0.11362  -0.03520 -0.04850 35  ASN A C   
154  O O   . ASN A 28  ? 0.76610 0.73526 0.56806 0.12596  -0.03753 -0.04312 35  ASN A O   
155  C CB  . ASN A 28  ? 0.71988 0.70796 0.57268 0.12815  -0.04641 -0.04429 35  ASN A CB  
156  C CG  . ASN A 28  ? 0.78413 0.76175 0.64633 0.13369  -0.04470 -0.03847 35  ASN A CG  
157  O OD1 . ASN A 28  ? 0.80857 0.75255 0.65689 0.13712  -0.03595 -0.02890 35  ASN A OD1 
158  N ND2 . ASN A 28  ? 0.80044 0.80657 0.68561 0.13307  -0.05181 -0.04541 35  ASN A ND2 
159  N N   . THR A 29  ? 0.66923 0.64942 0.52008 0.09831  -0.03369 -0.06047 36  THR A N   
160  C CA  . THR A 29  ? 0.74563 0.73745 0.58609 0.09405  -0.03491 -0.07048 36  THR A CA  
161  C C   . THR A 29  ? 0.73111 0.69909 0.54895 0.09343  -0.02266 -0.06503 36  THR A C   
162  O O   . THR A 29  ? 0.76387 0.71148 0.59021 0.08644  -0.01132 -0.06100 36  THR A O   
163  C CB  . THR A 29  ? 0.69773 0.70023 0.56432 0.07834  -0.03504 -0.08523 36  THR A CB  
164  O OG1 . THR A 29  ? 0.68490 0.70895 0.57141 0.07624  -0.04405 -0.09005 36  THR A OG1 
165  C CG2 . THR A 29  ? 0.67113 0.68430 0.52587 0.07342  -0.03599 -0.09833 36  THR A CG2 
166  N N   . PHE A 30  ? 0.67071 0.64437 0.45953 0.10033  -0.02474 -0.06565 37  PHE A N   
167  C CA  . PHE A 30  ? 0.69534 0.64821 0.45944 0.09880  -0.01153 -0.06101 37  PHE A CA  
168  C C   . PHE A 30  ? 0.72966 0.68562 0.51007 0.08427  -0.00389 -0.07536 37  PHE A C   
169  O O   . PHE A 30  ? 0.67271 0.64779 0.45679 0.08030  -0.01039 -0.08997 37  PHE A O   
170  C CB  . PHE A 30  ? 0.79709 0.75522 0.52072 0.11221  -0.01638 -0.05658 37  PHE A CB  
171  C CG  . PHE A 30  ? 0.77698 0.71424 0.47102 0.10976  -0.00128 -0.05180 37  PHE A CG  
172  C CD1 . PHE A 30  ? 0.79406 0.69761 0.47053 0.11118  0.01287  -0.03545 37  PHE A CD1 
173  C CD2 . PHE A 30  ? 0.74677 0.69740 0.42967 0.10455  0.00030  -0.06476 37  PHE A CD2 
174  C CE1 . PHE A 30  ? 0.82521 0.71054 0.47441 0.10659  0.02913  -0.03120 37  PHE A CE1 
175  C CE2 . PHE A 30  ? 0.82846 0.76183 0.48339 0.10203  0.01583  -0.06078 37  PHE A CE2 
176  C CZ  . PHE A 30  ? 0.84202 0.74363 0.48048 0.10266  0.03063  -0.04351 37  PHE A CZ  
177  N N   . TYR A 31  ? 0.72480 0.66268 0.51504 0.07662  0.01026  -0.07239 38  TYR A N   
178  C CA  . TYR A 31  ? 0.69802 0.63859 0.50664 0.06632  0.01820  -0.08527 38  TYR A CA  
179  C C   . TYR A 31  ? 0.70181 0.62695 0.50942 0.06149  0.03520  -0.07954 38  TYR A C   
180  O O   . TYR A 31  ? 0.68019 0.59542 0.50005 0.05931  0.03882  -0.07096 38  TYR A O   
181  C CB  . TYR A 31  ? 0.68426 0.63165 0.52846 0.06088  0.01202  -0.09248 38  TYR A CB  
182  C CG  . TYR A 31  ? 0.70318 0.64965 0.56524 0.05423  0.01956  -0.10474 38  TYR A CG  
183  C CD1 . TYR A 31  ? 0.68713 0.62796 0.57365 0.05163  0.02601  -0.10276 38  TYR A CD1 
184  C CD2 . TYR A 31  ? 0.70357 0.65549 0.55745 0.05193  0.01981  -0.11926 38  TYR A CD2 
185  C CE1 . TYR A 31  ? 0.71958 0.66003 0.62191 0.04983  0.03234  -0.11326 38  TYR A CE1 
186  C CE2 . TYR A 31  ? 0.78188 0.72889 0.65063 0.04854  0.02760  -0.13068 38  TYR A CE2 
187  C CZ  . TYR A 31  ? 0.81899 0.76018 0.71200 0.04896  0.03371  -0.12683 38  TYR A CZ  
188  O OH  . TYR A 31  ? 0.89013 0.82698 0.79741 0.04971  0.04090  -0.13754 38  TYR A OH  
189  N N   . SER A 32  ? 0.68180 0.60721 0.47561 0.05858  0.04626  -0.08593 39  SER A N   
190  C CA  . SER A 32  ? 0.71035 0.62491 0.49851 0.05281  0.06449  -0.08084 39  SER A CA  
191  C C   . SER A 32  ? 0.67822 0.60141 0.50197 0.04547  0.07306  -0.09032 39  SER A C   
192  O O   . SER A 32  ? 0.67606 0.59587 0.50628 0.03867  0.08646  -0.08638 39  SER A O   
193  C CB  . SER A 32  ? 0.71419 0.62637 0.46586 0.05392  0.07424  -0.08205 39  SER A CB  
194  O OG  . SER A 32  ? 0.74520 0.64826 0.45939 0.06336  0.06721  -0.07018 39  SER A OG  
195  N N   . ASN A 33  ? 0.65011 0.58429 0.49639 0.04689  0.06621  -0.10297 40  ASN A N   
196  C CA  . ASN A 33  ? 0.66150 0.60429 0.53957 0.04475  0.07318  -0.11165 40  ASN A CA  
197  C C   . ASN A 33  ? 0.66401 0.60806 0.57016 0.04400  0.06664  -0.10542 40  ASN A C   
198  O O   . ASN A 33  ? 0.61738 0.56462 0.54531 0.04730  0.05858  -0.11001 40  ASN A O   
199  C CB  . ASN A 33  ? 0.66727 0.61380 0.55224 0.04840  0.07011  -0.12696 40  ASN A CB  
200  C CG  . ASN A 33  ? 0.67822 0.63274 0.59034 0.05080  0.07924  -0.13627 40  ASN A CG  
201  O OD1 . ASN A 33  ? 0.72530 0.68966 0.64333 0.04845  0.09243  -0.13623 40  ASN A OD1 
202  N ND2 . ASN A 33  ? 0.63339 0.58385 0.56170 0.05586  0.07300  -0.14455 40  ASN A ND2 
203  N N   . LYS A 34  ? 0.63812 0.59829 0.42225 0.02137  -0.05991 -0.03241 41  LYS A N   
204  C CA  . LYS A 34  ? 0.64659 0.59313 0.44782 0.01958  -0.05443 -0.02488 41  LYS A CA  
205  C C   . LYS A 34  ? 0.63885 0.58099 0.44804 0.01202  -0.04215 -0.02629 41  LYS A C   
206  O O   . LYS A 34  ? 0.57407 0.50795 0.40019 0.01035  -0.03819 -0.02384 41  LYS A O   
207  C CB  . LYS A 34  ? 0.67207 0.60290 0.45640 0.02284  -0.05548 -0.00809 41  LYS A CB  
208  C CG  . LYS A 34  ? 0.65111 0.58400 0.43465 0.03256  -0.06833 -0.00502 41  LYS A CG  
209  C CD  . LYS A 34  ? 0.69951 0.61319 0.46454 0.03645  -0.06879 0.01225  41  LYS A CD  
210  C CE  . LYS A 34  ? 0.71376 0.63039 0.47535 0.04820  -0.08286 0.01611  41  LYS A CE  
211  N NZ  . LYS A 34  ? 0.72284 0.64527 0.51561 0.05329  -0.08722 0.00975  41  LYS A NZ  
212  N N   . GLU A 35  ? 0.58984 0.53874 0.38729 0.00811  -0.03622 -0.03063 42  GLU A N   
213  C CA  . GLU A 35  ? 0.60402 0.55063 0.40873 0.00184  -0.02509 -0.03091 42  GLU A CA  
214  C C   . GLU A 35  ? 0.60591 0.55449 0.43885 0.00118  -0.02376 -0.04067 42  GLU A C   
215  O O   . GLU A 35  ? 0.54398 0.48885 0.38606 -0.00251 -0.01646 -0.03913 42  GLU A O   
216  C CB  . GLU A 35  ? 0.59204 0.54933 0.38064 -0.00103 -0.01873 -0.03535 42  GLU A CB  
217  C CG  . GLU A 35  ? 0.67317 0.64525 0.46565 0.00186  -0.02243 -0.05245 42  GLU A CG  
218  C CD  . GLU A 35  ? 0.71880 0.70248 0.49129 0.00032  -0.01569 -0.05729 42  GLU A CD  
219  O OE1 . GLU A 35  ? 0.69741 0.67955 0.44361 -0.00088 -0.01317 -0.04611 42  GLU A OE1 
220  O OE2 . GLU A 35  ? 0.86425 0.85797 0.64712 0.00052  -0.01229 -0.07212 42  GLU A OE2 
221  N N   . ILE A 36  ? 0.56911 0.52339 0.41643 0.00444  -0.03089 -0.05022 43  ILE A N   
222  C CA  . ILE A 36  ? 0.55940 0.51380 0.43286 0.00324  -0.02902 -0.05871 43  ILE A CA  
223  C C   . ILE A 36  ? 0.60710 0.55001 0.49391 0.00239  -0.02587 -0.04995 43  ILE A C   
224  O O   . ILE A 36  ? 0.58797 0.52866 0.49386 0.00119  -0.02299 -0.05392 43  ILE A O   
225  C CB  . ILE A 36  ? 0.56220 0.52527 0.44908 0.00533  -0.03732 -0.07117 43  ILE A CB  
226  C CG1 . ILE A 36  ? 0.58634 0.54898 0.47802 0.00855  -0.04491 -0.06571 43  ILE A CG1 
227  C CG2 . ILE A 36  ? 0.69764 0.67263 0.56897 0.00658  -0.04115 -0.08199 43  ILE A CG2 
228  C CD1 . ILE A 36  ? 0.67726 0.63706 0.59714 0.00729  -0.04398 -0.06728 43  ILE A CD1 
229  N N   . PHE A 37  ? 0.56376 0.49816 0.43992 0.00334  -0.02624 -0.03817 44  PHE A N   
230  C CA  . PHE A 37  ? 0.54526 0.46887 0.43104 0.00289  -0.02280 -0.03115 44  PHE A CA  
231  C C   . PHE A 37  ? 0.55088 0.47085 0.43963 -0.00115 -0.01550 -0.03009 44  PHE A C   
232  O O   . PHE A 37  ? 0.54797 0.46303 0.44967 -0.00139 -0.01288 -0.02915 44  PHE A O   
233  C CB  . PHE A 37  ? 0.54853 0.46216 0.42078 0.00515  -0.02461 -0.02030 44  PHE A CB  
234  C CG  . PHE A 37  ? 0.53879 0.44502 0.39266 0.00123  -0.02025 -0.01268 44  PHE A CG  
235  C CD1 . PHE A 37  ? 0.56440 0.47436 0.39956 0.00045  -0.02119 -0.01075 44  PHE A CD1 
236  C CD2 . PHE A 37  ? 0.52307 0.41937 0.37830 -0.00235 -0.01500 -0.00769 44  PHE A CD2 
237  C CE1 . PHE A 37  ? 0.55514 0.45866 0.37526 -0.00478 -0.01563 -0.00302 44  PHE A CE1 
238  C CE2 . PHE A 37  ? 0.53557 0.42613 0.37735 -0.00761 -0.01094 -0.00155 44  PHE A CE2 
239  C CZ  . PHE A 37  ? 0.55732 0.45128 0.38255 -0.00932 -0.01058 0.00125  44  PHE A CZ  
240  N N   . LEU A 38  ? 0.54690 0.47061 0.42380 -0.00411 -0.01209 -0.02997 45  LEU A N   
241  C CA  . LEU A 38  ? 0.62230 0.54573 0.50391 -0.00756 -0.00607 -0.02925 45  LEU A CA  
242  C C   . LEU A 38  ? 0.52006 0.44887 0.41981 -0.00606 -0.00487 -0.03825 45  LEU A C   
243  O O   . LEU A 38  ? 0.59897 0.52458 0.50824 -0.00645 -0.00228 -0.03646 45  LEU A O   
244  C CB  . LEU A 38  ? 0.51343 0.44264 0.38075 -0.01160 -0.00169 -0.02747 45  LEU A CB  
245  C CG  . LEU A 38  ? 0.55771 0.48838 0.43070 -0.01595 0.00389  -0.02543 45  LEU A CG  
246  C CD1 . LEU A 38  ? 0.55328 0.47060 0.42541 -0.01787 0.00285  -0.01686 45  LEU A CD1 
247  C CD2 . LEU A 38  ? 0.51969 0.45966 0.38168 -0.02088 0.00981  -0.02463 45  LEU A CD2 
248  N N   . ARG A 39  ? 0.54209 0.47812 0.44642 -0.00401 -0.00739 -0.04811 46  ARG A N   
249  C CA  . ARG A 39  ? 0.57276 0.51032 0.49556 -0.00241 -0.00648 -0.05706 46  ARG A CA  
250  C C   . ARG A 39  ? 0.58061 0.50836 0.51850 -0.00169 -0.00738 -0.05321 46  ARG A C   
251  O O   . ARG A 39  ? 0.55511 0.47837 0.50550 -0.00081 -0.00481 -0.05337 46  ARG A O   
252  C CB  . ARG A 39  ? 0.59211 0.53809 0.51622 -0.00097 -0.00970 -0.07011 46  ARG A CB  
253  C CG  . ARG A 39  ? 0.66452 0.60860 0.60936 0.00056  -0.00932 -0.08050 46  ARG A CG  
254  C CD  . ARG A 39  ? 0.66356 0.61453 0.61030 0.00128  -0.01408 -0.09504 46  ARG A CD  
255  N NE  . ARG A 39  ? 0.74859 0.70041 0.69539 0.00032  -0.02096 -0.09405 46  ARG A NE  
256  C CZ  . ARG A 39  ? 0.80414 0.76538 0.74418 0.00094  -0.02762 -0.10372 46  ARG A CZ  
257  N NH1 . ARG A 39  ? 0.71422 0.68397 0.64390 0.00229  -0.02759 -0.11544 46  ARG A NH1 
258  N NH2 . ARG A 39  ? 0.75261 0.71628 0.69634 0.00076  -0.03468 -0.10221 46  ARG A NH2 
259  N N   . GLU A 40  ? 0.53585 0.46055 0.47252 -0.00153 -0.01061 -0.04903 47  GLU A N   
260  C CA  . GLU A 40  ? 0.55325 0.47077 0.50424 -0.00130 -0.00975 -0.04546 47  GLU A CA  
261  C C   . GLU A 40  ? 0.54253 0.45129 0.48943 -0.00131 -0.00568 -0.03538 47  GLU A C   
262  O O   . GLU A 40  ? 0.52443 0.42707 0.48173 -0.00096 -0.00285 -0.03280 47  GLU A O   
263  C CB  . GLU A 40  ? 0.53849 0.45871 0.49128 -0.00042 -0.01390 -0.04485 47  GLU A CB  
264  C CG  . GLU A 40  ? 0.61841 0.54911 0.57546 -0.00024 -0.02007 -0.05574 47  GLU A CG  
265  C CD  . GLU A 40  ? 0.72020 0.65173 0.69551 -0.00222 -0.01952 -0.06633 47  GLU A CD  
266  O OE1 . GLU A 40  ? 0.71207 0.65117 0.68553 -0.00213 -0.02342 -0.07758 47  GLU A OE1 
267  O OE2 . GLU A 40  ? 0.63853 0.56210 0.62911 -0.00371 -0.01512 -0.06348 47  GLU A OE2 
268  N N   . LEU A 41  ? 0.51805 0.42525 0.44903 -0.00193 -0.00558 -0.02954 48  LEU A N   
269  C CA  . LEU A 41  ? 0.58107 0.48051 0.50712 -0.00234 -0.00299 -0.02192 48  LEU A CA  
270  C C   . LEU A 41  ? 0.55155 0.45268 0.48244 -0.00262 -0.00114 -0.02295 48  LEU A C   
271  O O   . LEU A 41  ? 0.51407 0.40954 0.44876 -0.00129 0.00011  -0.01876 48  LEU A O   
272  C CB  . LEU A 41  ? 0.53455 0.43051 0.44410 -0.00392 -0.00378 -0.01688 48  LEU A CB  
273  C CG  . LEU A 41  ? 0.54797 0.44045 0.45247 -0.00159 -0.00638 -0.01451 48  LEU A CG  
274  C CD1 . LEU A 41  ? 0.49194 0.37677 0.38003 -0.00298 -0.00696 -0.00874 48  LEU A CD1 
275  C CD2 . LEU A 41  ? 0.52922 0.41739 0.44297 0.00125  -0.00486 -0.01268 48  LEU A CD2 
276  N N   . ILE A 42  ? 0.52463 0.43453 0.45502 -0.00360 -0.00091 -0.02840 49  ILE A N   
277  C CA  . ILE A 42  ? 0.57799 0.49225 0.51671 -0.00235 0.00052  -0.03081 49  ILE A CA  
278  C C   . ILE A 42  ? 0.59806 0.50739 0.55221 0.00138  0.00052  -0.03326 49  ILE A C   
279  O O   . ILE A 42  ? 0.53608 0.44183 0.49624 0.00405  0.00069  -0.02980 49  ILE A O   
280  C CB  . ILE A 42  ? 0.55613 0.48300 0.49299 -0.00359 0.00226  -0.03772 49  ILE A CB  
281  C CG1 . ILE A 42  ? 0.60877 0.53896 0.53188 -0.00861 0.00374  -0.03273 49  ILE A CG1 
282  C CG2 . ILE A 42  ? 0.53737 0.47054 0.48832 -0.00004 0.00363  -0.04307 49  ILE A CG2 
283  C CD1 . ILE A 42  ? 0.49146 0.43406 0.40867 -0.01094 0.00719  -0.03783 49  ILE A CD1 
284  N N   . SER A 43  ? 0.56375 0.47219 0.52470 0.00149  -0.00018 -0.03892 50  SER A N   
285  C CA  . SER A 43  ? 0.56071 0.46177 0.53789 0.00344  0.00042  -0.04093 50  SER A CA  
286  C C   . SER A 43  ? 0.53096 0.42128 0.50891 0.00364  0.00218  -0.03028 50  SER A C   
287  O O   . SER A 43  ? 0.54814 0.43030 0.53481 0.00602  0.00360  -0.02680 50  SER A O   
288  C CB  . SER A 43  ? 0.54084 0.44407 0.52618 0.00182  -0.00134 -0.05012 50  SER A CB  
289  O OG  . SER A 43  ? 0.68312 0.57675 0.68508 0.00145  -0.00009 -0.05001 50  SER A OG  
290  N N   . ASN A 44  ? 0.55282 0.44240 0.52079 0.00182  0.00244  -0.02478 51  ASN A N   
291  C CA  . ASN A 44  ? 0.57316 0.45412 0.53865 0.00241  0.00530  -0.01531 51  ASN A CA  
292  C C   . ASN A 44  ? 0.57319 0.45102 0.53055 0.00484  0.00489  -0.00933 51  ASN A C   
293  O O   . ASN A 44  ? 0.53857 0.40850 0.49770 0.00706  0.00675  -0.00273 51  ASN A O   
294  C CB  . ASN A 44  ? 0.52592 0.40771 0.48212 0.00129  0.00568  -0.01253 51  ASN A CB  
295  C CG  . ASN A 44  ? 0.57990 0.46461 0.54818 -0.00002 0.00637  -0.01589 51  ASN A CG  
296  O OD1 . ASN A 44  ? 0.58135 0.46673 0.56507 -0.00143 0.00656  -0.02077 51  ASN A OD1 
297  N ND2 . ASN A 44  ? 0.54212 0.42878 0.50514 0.00060  0.00636  -0.01402 51  ASN A ND2 
298  N N   . SER A 45  ? 0.56357 0.44811 0.51209 0.00418  0.00227  -0.01125 52  SER A N   
299  C CA  . SER A 45  ? 0.55086 0.43594 0.49415 0.00601  0.00030  -0.00731 52  SER A CA  
300  C C   . SER A 45  ? 0.57960 0.46478 0.53540 0.01055  -0.00067 -0.00813 52  SER A C   
301  O O   . SER A 45  ? 0.55903 0.44030 0.51283 0.01428  -0.00246 -0.00191 52  SER A O   
302  C CB  . SER A 45  ? 0.54729 0.44132 0.48305 0.00265  -0.00166 -0.01038 52  SER A CB  
303  O OG  . SER A 45  ? 0.55388 0.44381 0.47724 -0.00065 -0.00124 -0.00828 52  SER A OG  
304  N N   . SER A 46  ? 0.58144 0.47049 0.54949 0.01116  -0.00001 -0.01608 53  SER A N   
305  C CA  . SER A 46  ? 0.57456 0.46200 0.55633 0.01664  -0.00084 -0.01819 53  SER A CA  
306  C C   . SER A 46  ? 0.59054 0.46227 0.57757 0.01924  0.00065  -0.01048 53  SER A C   
307  O O   . SER A 46  ? 0.56266 0.42880 0.55487 0.02514  -0.00110 -0.00594 53  SER A O   
308  C CB  . SER A 46  ? 0.54591 0.43981 0.53851 0.01669  0.00013  -0.03044 53  SER A CB  
309  O OG  . SER A 46  ? 0.58040 0.47060 0.58783 0.02300  -0.00043 -0.03369 53  SER A OG  
310  N N   . ASP A 47  ? 0.57197 0.43682 0.55848 0.01506  0.00408  -0.00830 54  ASP A N   
311  C CA  . ASP A 47  ? 0.58628 0.43649 0.57794 0.01576  0.00754  0.00024  54  ASP A CA  
312  C C   . ASP A 47  ? 0.62514 0.47030 0.60136 0.01834  0.00776  0.01278  54  ASP A C   
313  O O   . ASP A 47  ? 0.57875 0.41233 0.55585 0.02216  0.00877  0.02185  54  ASP A O   
314  C CB  . ASP A 47  ? 0.60467 0.45292 0.60276 0.00976  0.01177  -0.00176 54  ASP A CB  
315  C CG  . ASP A 47  ? 0.66417 0.51537 0.67840 0.00749  0.01058  -0.01445 54  ASP A CG  
316  O OD1 . ASP A 47  ? 0.77604 0.62441 0.79949 0.01108  0.00869  -0.01992 54  ASP A OD1 
317  O OD2 . ASP A 47  ? 0.69010 0.54710 0.70794 0.00277  0.01102  -0.01976 54  ASP A OD2 
318  N N   . ALA A 48  ? 0.56885 0.42138 0.52962 0.01651  0.00660  0.01343  55  ALA A N   
319  C CA  . ALA A 48  ? 0.60847 0.45731 0.55231 0.01902  0.00594  0.02291  55  ALA A CA  
320  C C   . ALA A 48  ? 0.58573 0.43676 0.52803 0.02512  -0.00056 0.02535  55  ALA A C   
321  O O   . ALA A 48  ? 0.61952 0.46345 0.55218 0.02963  -0.00176 0.03512  55  ALA A O   
322  C CB  . ALA A 48  ? 0.53228 0.38734 0.46162 0.01562  0.00553  0.02045  55  ALA A CB  
323  N N   . LEU A 49  ? 0.53471 0.39693 0.48637 0.02581  -0.00479 0.01666  56  LEU A N   
324  C CA  . LEU A 49  ? 0.58227 0.45013 0.53755 0.03236  -0.01128 0.01763  56  LEU A CA  
325  C C   . LEU A 49  ? 0.58978 0.44604 0.55700 0.03944  -0.01127 0.02256  56  LEU A C   
326  O O   . LEU A 49  ? 0.58351 0.43763 0.54842 0.04697  -0.01659 0.02964  56  LEU A O   
327  C CB  . LEU A 49  ? 0.58891 0.47395 0.55351 0.03071  -0.01376 0.00653  56  LEU A CB  
328  C CG  . LEU A 49  ? 0.60703 0.50232 0.55988 0.02417  -0.01512 0.00358  56  LEU A CG  
329  C CD1 . LEU A 49  ? 0.53014 0.43930 0.49166 0.01989  -0.01347 -0.00650 56  LEU A CD1 
330  C CD2 . LEU A 49  ? 0.51865 0.41985 0.46415 0.02685  -0.02225 0.00740  56  LEU A CD2 
331  N N   . ASP A 50  ? 0.58929 0.43723 0.56959 0.03737  -0.00609 0.01877  57  ASP A N   
332  C CA  . ASP A 50  ? 0.59159 0.42374 0.58394 0.04301  -0.00520 0.02379  57  ASP A CA  
333  C C   . ASP A 50  ? 0.59071 0.40707 0.57014 0.04472  -0.00306 0.04006  57  ASP A C   
334  O O   . ASP A 50  ? 0.58562 0.39155 0.56548 0.05279  -0.00623 0.04932  57  ASP A O   
335  C CB  . ASP A 50  ? 0.54582 0.37153 0.55448 0.03827  -0.00003 0.01510  57  ASP A CB  
336  C CG  . ASP A 50  ? 0.59196 0.43079 0.61309 0.03921  -0.00209 -0.00066 57  ASP A CG  
337  O OD1 . ASP A 50  ? 0.66192 0.51337 0.68341 0.04455  -0.00660 -0.00364 57  ASP A OD1 
338  O OD2 . ASP A 50  ? 0.61959 0.45766 0.65019 0.03449  0.00090  -0.01057 57  ASP A OD2 
339  N N   . LYS A 51  ? 0.57733 0.39205 0.54445 0.03788  0.00261  0.04410  58  LYS A N   
340  C CA  . LYS A 51  ? 0.66973 0.47001 0.62419 0.03845  0.00748  0.05928  58  LYS A CA  
341  C C   . LYS A 51  ? 0.69609 0.49775 0.63022 0.04584  0.00098  0.06879  58  LYS A C   
342  O O   . LYS A 51  ? 0.73508 0.52268 0.66147 0.05126  0.00143  0.08262  58  LYS A O   
343  C CB  . LYS A 51  ? 0.66931 0.47143 0.61694 0.03010  0.01568  0.05934  58  LYS A CB  
344  C CG  . LYS A 51  ? 0.84541 0.63303 0.78467 0.02896  0.02434  0.07411  58  LYS A CG  
345  C CD  . LYS A 51  ? 0.92402 0.71382 0.87034 0.02009  0.03419  0.07146  58  LYS A CD  
346  C CE  . LYS A 51  ? 0.91730 0.69612 0.85312 0.01847  0.04465  0.08659  58  LYS A CE  
347  N NZ  . LYS A 51  ? 1.07371 0.86150 1.00947 0.01195  0.05360  0.08377  58  LYS A NZ  
348  N N   . ILE A 52  ? 0.66518 0.48323 0.58997 0.04590  -0.00546 0.06181  59  ILE A N   
349  C CA  . ILE A 52  ? 0.68476 0.50648 0.59104 0.05242  -0.01340 0.06862  59  ILE A CA  
350  C C   . ILE A 52  ? 0.68362 0.50626 0.60094 0.06243  -0.02238 0.07068  59  ILE A C   
351  O O   . ILE A 52  ? 0.72228 0.54139 0.62628 0.07050  -0.02882 0.08119  59  ILE A O   
352  C CB  . ILE A 52  ? 0.67554 0.51366 0.57096 0.04815  -0.01778 0.05938  59  ILE A CB  
353  C CG1 . ILE A 52  ? 0.71384 0.55504 0.58733 0.05366  -0.02597 0.06564  59  ILE A CG1 
354  C CG2 . ILE A 52  ? 0.59359 0.44742 0.50736 0.04629  -0.02240 0.04609  59  ILE A CG2 
355  C CD1 . ILE A 52  ? 0.74352 0.56935 0.59583 0.05692  -0.02101 0.08037  59  ILE A CD1 
356  N N   . ARG A 53  ? 0.66518 0.49292 0.60638 0.06311  -0.02317 0.06061  60  ARG A N   
357  C CA  . ARG A 53  ? 0.67700 0.50592 0.63213 0.07403  -0.03094 0.06138  60  ARG A CA  
358  C C   . ARG A 53  ? 0.70166 0.50612 0.65817 0.08082  -0.02870 0.07535  60  ARG A C   
359  O O   . ARG A 53  ? 0.69947 0.49986 0.65400 0.09221  -0.03669 0.08434  60  ARG A O   
360  C CB  . ARG A 53  ? 0.60711 0.44804 0.58672 0.07310  -0.03050 0.04564  60  ARG A CB  
361  C CG  . ARG A 53  ? 0.65956 0.50616 0.65653 0.08531  -0.03827 0.04360  60  ARG A CG  
362  C CD  . ARG A 53  ? 0.74705 0.61410 0.76365 0.08368  -0.03778 0.02627  60  ARG A CD  
363  N NE  . ARG A 53  ? 0.88470 0.75121 0.92359 0.09535  -0.04086 0.02212  60  ARG A NE  
364  C CZ  . ARG A 53  ? 0.90876 0.77118 0.96532 0.09553  -0.03520 0.01108  60  ARG A CZ  
365  N NH1 . ARG A 53  ? 0.85042 0.71036 0.90499 0.08452  -0.02711 0.00328  60  ARG A NH1 
366  N NH2 . ARG A 53  ? 0.95530 0.81644 1.03200 0.10784  -0.03839 0.00702  60  ARG A NH2 
367  N N   . TYR A 54  ? 0.66197 0.44984 0.62278 0.07390  -0.01821 0.07773  61  TYR A N   
368  C CA  . TYR A 54  ? 0.75202 0.51386 0.71498 0.07805  -0.01431 0.09197  61  TYR A CA  
369  C C   . TYR A 54  ? 0.74834 0.50078 0.68347 0.08138  -0.01449 0.11093  61  TYR A C   
370  O O   . TYR A 54  ? 0.74553 0.48334 0.67582 0.09156  -0.01891 0.12491  61  TYR A O   
371  C CB  . TYR A 54  ? 0.69744 0.44666 0.67400 0.06751  -0.00278 0.08836  61  TYR A CB  
372  C CG  . TYR A 54  ? 0.82925 0.54998 0.80734 0.06788  0.00400  0.10433  61  TYR A CG  
373  C CD1 . TYR A 54  ? 0.84640 0.55791 0.80564 0.06242  0.01244  0.11917  61  TYR A CD1 
374  C CD2 . TYR A 54  ? 0.80549 0.50779 0.80415 0.07357  0.00281  0.10456  61  TYR A CD2 
375  C CE1 . TYR A 54  ? 0.91723 0.60232 0.87803 0.06142  0.02020  0.13518  61  TYR A CE1 
376  C CE2 . TYR A 54  ? 0.75448 0.42787 0.75538 0.07292  0.00948  0.12008  61  TYR A CE2 
377  C CZ  . TYR A 54  ? 0.94022 0.60523 0.92208 0.06626  0.01849  0.13611  61  TYR A CZ  
378  O OH  . TYR A 54  ? 0.98394 0.61966 0.96817 0.06437  0.02663  0.15301  61  TYR A OH  
379  N N   . GLU A 55  ? 0.73405 0.49418 0.64944 0.07367  -0.00967 0.11168  62  GLU A N   
380  C CA  . GLU A 55  ? 0.77411 0.52676 0.65978 0.07653  -0.00857 0.12820  62  GLU A CA  
381  C C   . GLU A 55  ? 0.81498 0.57569 0.68619 0.08865  -0.02306 0.13297  62  GLU A C   
382  O O   . GLU A 55  ? 0.81171 0.56027 0.66180 0.09593  -0.02507 0.15005  62  GLU A O   
383  C CB  . GLU A 55  ? 0.77093 0.53350 0.63974 0.06712  -0.00137 0.12408  62  GLU A CB  
384  C CG  . GLU A 55  ? 0.81992 0.57311 0.69760 0.05661  0.01373  0.12518  62  GLU A CG  
385  C CD  . GLU A 55  ? 0.94258 0.70352 0.80020 0.05053  0.02130  0.12485  62  GLU A CD  
386  O OE1 . GLU A 55  ? 0.93685 0.70369 0.76807 0.05525  0.01618  0.12822  62  GLU A OE1 
387  O OE2 . GLU A 55  ? 0.92916 0.69095 0.79802 0.04157  0.03189  0.12031  62  GLU A OE2 
388  N N   . SER A 56  ? 0.79919 0.58128 0.68150 0.09084  -0.03331 0.11841  63  SER A N   
389  C CA  . SER A 56  ? 0.79955 0.59386 0.67260 0.10171  -0.04835 0.12067  63  SER A CA  
390  C C   . SER A 56  ? 0.85207 0.63505 0.73707 0.11553  -0.05570 0.13033  63  SER A C   
391  O O   . SER A 56  ? 0.89669 0.68586 0.77070 0.12682  -0.06862 0.13716  63  SER A O   
392  C CB  . SER A 56  ? 0.76453 0.58628 0.65022 0.09842  -0.05579 0.10196  63  SER A CB  
393  O OG  . SER A 56  ? 0.77833 0.60580 0.69510 0.10082  -0.05683 0.09193  63  SER A OG  
394  N N   . LEU A 57  ? 0.82949 0.59603 0.73731 0.11550  -0.04870 0.13030  64  LEU A N   
395  C CA  . LEU A 57  ? 0.83903 0.59096 0.75937 0.12957  -0.05523 0.13947  64  LEU A CA  
396  C C   . LEU A 57  ? 0.88486 0.61415 0.77872 0.13696  -0.05600 0.16390  64  LEU A C   
397  O O   . LEU A 57  ? 0.94468 0.66977 0.83579 0.15210  -0.06779 0.17428  64  LEU A O   
398  C CB  . LEU A 57  ? 0.84228 0.57837 0.79170 0.12661  -0.04655 0.13276  64  LEU A CB  
399  C CG  . LEU A 57  ? 0.85478 0.61155 0.83038 0.12181  -0.04607 0.10922  64  LEU A CG  
400  C CD1 . LEU A 57  ? 0.78597 0.52404 0.78549 0.11837  -0.03718 0.10296  64  LEU A CD1 
401  C CD2 . LEU A 57  ? 0.87170 0.65052 0.86036 0.13410  -0.05938 0.10125  64  LEU A CD2 
402  N N   . THR A 58  ? 0.88773 0.60304 0.76178 0.12696  -0.04333 0.17383  65  THR A N   
403  C CA  . THR A 58  ? 0.94963 0.64370 0.79449 0.13202  -0.04104 0.19809  65  THR A CA  
404  C C   . THR A 58  ? 0.94826 0.65747 0.75650 0.13203  -0.04539 0.20195  65  THR A C   
405  O O   . THR A 58  ? 0.97136 0.66558 0.74940 0.13513  -0.04201 0.22157  65  THR A O   
406  C CB  . THR A 58  ? 0.97317 0.64179 0.82029 0.12084  -0.02246 0.20783  65  THR A CB  
407  O OG1 . THR A 58  ? 0.95804 0.63987 0.79806 0.10627  -0.01157 0.19833  65  THR A OG1 
408  C CG2 . THR A 58  ? 0.97977 0.63422 0.86448 0.11898  -0.01847 0.19997  65  THR A CG2 
409  N N   . ASP A 59  ? 0.93959 0.67721 0.74906 0.12842  -0.05241 0.18357  66  ASP A N   
410  C CA  . ASP A 59  ? 0.89297 0.64541 0.66979 0.12755  -0.05725 0.18316  66  ASP A CA  
411  C C   . ASP A 59  ? 0.90287 0.68557 0.69126 0.12648  -0.06964 0.16228  66  ASP A C   
412  O O   . ASP A 59  ? 0.90807 0.70262 0.70061 0.11459  -0.06344 0.14743  66  ASP A O   
413  C CB  . ASP A 59  ? 0.85662 0.60322 0.61656 0.11445  -0.04011 0.18413  66  ASP A CB  
414  C CG  . ASP A 59  ? 0.97031 0.72578 0.69102 0.11544  -0.04322 0.18693  66  ASP A CG  
415  O OD1 . ASP A 59  ? 1.01728 0.78438 0.72367 0.12533  -0.05985 0.18718  66  ASP A OD1 
416  O OD2 . ASP A 59  ? 0.97386 0.72574 0.67876 0.10664  -0.02924 0.18786  66  ASP A OD2 
417  N N   . PRO A 60  ? 0.90811 0.70392 0.70342 0.13854  -0.08692 0.16101  67  PRO A N   
418  C CA  . PRO A 60  ? 0.83949 0.66557 0.65052 0.13604  -0.09771 0.14095  67  PRO A CA  
419  C C   . PRO A 60  ? 0.85665 0.69685 0.64502 0.12655  -0.09830 0.13144  67  PRO A C   
420  O O   . PRO A 60  ? 0.86560 0.72586 0.66965 0.11867  -0.10080 0.11360  67  PRO A O   
421  C CB  . PRO A 60  ? 0.88808 0.72486 0.70313 0.15246  -0.11689 0.14588  67  PRO A CB  
422  C CG  . PRO A 60  ? 0.91323 0.72262 0.72667 0.16397  -0.11475 0.16603  67  PRO A CG  
423  C CD  . PRO A 60  ? 0.90410 0.68647 0.70575 0.15411  -0.09515 0.17579  67  PRO A CD  
424  N N   . SER A 61  ? 0.85712 0.68665 0.60862 0.12711  -0.09552 0.14270  68  SER A N   
425  C CA  . SER A 61  ? 0.84787 0.68980 0.57582 0.12003  -0.09747 0.13263  68  SER A CA  
426  C C   . SER A 61  ? 0.88712 0.72969 0.62498 0.10499  -0.08316 0.11920  68  SER A C   
427  O O   . SER A 61  ? 0.82071 0.67459 0.54730 0.09830  -0.08539 0.10679  68  SER A O   
428  C CB  . SER A 61  ? 0.92128 0.75073 0.60552 0.12503  -0.09590 0.14783  68  SER A CB  
429  O OG  . SER A 61  ? 0.92569 0.73494 0.60089 0.11846  -0.07575 0.15696  68  SER A OG  
430  N N   . LYS A 62  ? 0.87374 0.70405 0.63266 0.09990  -0.06944 0.12093  69  LYS A N   
431  C CA  . LYS A 62  ? 0.82098 0.65276 0.59036 0.08698  -0.05724 0.10878  69  LYS A CA  
432  C C   . LYS A 62  ? 0.75734 0.60890 0.54989 0.08125  -0.06383 0.09036  69  LYS A C   
433  O O   . LYS A 62  ? 0.74781 0.60192 0.54508 0.07110  -0.05618 0.07990  69  LYS A O   
434  C CB  . LYS A 62  ? 0.81111 0.62621 0.59783 0.08333  -0.04260 0.11501  69  LYS A CB  
435  C CG  . LYS A 62  ? 0.87246 0.66712 0.63835 0.08582  -0.03244 0.13364  69  LYS A CG  
436  C CD  . LYS A 62  ? 0.82937 0.61150 0.61180 0.07717  -0.01567 0.13516  69  LYS A CD  
437  C CE  . LYS A 62  ? 0.84206 0.60563 0.60437 0.07764  -0.00358 0.15387  69  LYS A CE  
438  N NZ  . LYS A 62  ? 0.90481 0.66112 0.68307 0.06708  0.01329  0.15292  69  LYS A NZ  
439  N N   . LEU A 63  ? 0.83545 0.70134 0.64313 0.08764  -0.07730 0.08675  70  LEU A N   
440  C CA  . LEU A 63  ? 0.80748 0.69464 0.63628 0.08174  -0.08334 0.07013  70  LEU A CA  
441  C C   . LEU A 63  ? 0.81232 0.71541 0.62616 0.08042  -0.09593 0.06248  70  LEU A C   
442  O O   . LEU A 63  ? 0.77074 0.69306 0.60271 0.07530  -0.10235 0.04951  70  LEU A O   
443  C CB  . LEU A 63  ? 0.77712 0.67422 0.63664 0.08865  -0.08920 0.06829  70  LEU A CB  
444  C CG  . LEU A 63  ? 0.80356 0.68388 0.67919 0.09149  -0.07897 0.07465  70  LEU A CG  
445  C CD1 . LEU A 63  ? 0.79730 0.68898 0.70311 0.09951  -0.08534 0.07018  70  LEU A CD1 
446  C CD2 . LEU A 63  ? 0.80435 0.67868 0.68604 0.07913  -0.06475 0.06730  70  LEU A CD2 
447  N N   . ASP A 64  ? 0.79959 0.69547 0.58068 0.08441  -0.09929 0.06974  71  ASP A N   
448  C CA  . ASP A 64  ? 0.78753 0.69732 0.55219 0.08246  -0.11157 0.06040  71  ASP A CA  
449  C C   . ASP A 64  ? 0.79212 0.70452 0.55846 0.06859  -0.10548 0.04528  71  ASP A C   
450  O O   . ASP A 64  ? 0.76554 0.69186 0.52995 0.06400  -0.11594 0.03325  71  ASP A O   
451  C CB  . ASP A 64  ? 0.79314 0.69296 0.51811 0.09004  -0.11489 0.07116  71  ASP A CB  
452  C CG  . ASP A 64  ? 0.87537 0.77551 0.59546 0.10496  -0.12622 0.08575  71  ASP A CG  
453  O OD1 . ASP A 64  ? 0.89877 0.80860 0.64867 0.10988  -0.13270 0.08550  71  ASP A OD1 
454  O OD2 . ASP A 64  ? 0.98794 0.87852 0.67378 0.11245  -0.12846 0.09767  71  ASP A OD2 
455  N N   . SER A 65  ? 0.82821 0.72719 0.59905 0.06195  -0.08948 0.04557  72  SER A N   
456  C CA  . SER A 65  ? 0.76107 0.66012 0.53572 0.05006  -0.08324 0.03286  72  SER A CA  
457  C C   . SER A 65  ? 0.77141 0.68191 0.57894 0.04313  -0.08243 0.02437  72  SER A C   
458  O O   . SER A 65  ? 0.73488 0.64141 0.54821 0.03397  -0.07422 0.01748  72  SER A O   
459  C CB  . SER A 65  ? 0.74305 0.62373 0.50541 0.04749  -0.06721 0.03744  72  SER A CB  
460  O OG  . SER A 65  ? 0.71042 0.58168 0.48137 0.05224  -0.05881 0.04971  72  SER A OG  
461  N N   . GLY A 66  ? 0.77141 0.69629 0.59989 0.04803  -0.09047 0.02497  73  GLY A N   
462  C CA  . GLY A 66  ? 0.66653 0.60454 0.52541 0.04213  -0.08857 0.01691  73  GLY A CA  
463  C C   . GLY A 66  ? 0.72889 0.66931 0.60889 0.05040  -0.08696 0.02279  73  GLY A C   
464  O O   . GLY A 66  ? 0.71444 0.63820 0.59150 0.05414  -0.07804 0.03124  73  GLY A O   
465  N N   . LYS A 67  ? 0.80418 0.76564 0.70735 0.05319  -0.09533 0.01750  74  LYS A N   
466  C CA  . LYS A 67  ? 0.75676 0.72155 0.68198 0.06255  -0.09460 0.02109  74  LYS A CA  
467  C C   . LYS A 67  ? 0.70442 0.67320 0.65176 0.05594  -0.08355 0.01345  74  LYS A C   
468  O O   . LYS A 67  ? 0.68587 0.64856 0.64621 0.06240  -0.07856 0.01621  74  LYS A O   
469  C CB  . LYS A 67  ? 0.75117 0.73893 0.69222 0.07132  -0.10942 0.01892  74  LYS A CB  
470  C CG  . LYS A 67  ? 0.76062 0.74392 0.68022 0.08235  -0.12204 0.02898  74  LYS A CG  
471  C CD  . LYS A 67  ? 0.93882 0.92345 0.87243 0.09877  -0.12876 0.03741  74  LYS A CD  
472  C CE  . LYS A 67  ? 0.95544 0.93037 0.86234 0.11067  -0.13996 0.05106  74  LYS A CE  
473  N NZ  . LYS A 67  ? 0.93864 0.89129 0.84413 0.12331  -0.13624 0.06638  74  LYS A NZ  
474  N N   . GLU A 68  ? 0.72281 0.70046 0.67352 0.04332  -0.07967 0.00397  75  GLU A N   
475  C CA  . GLU A 68  ? 0.70339 0.68712 0.67242 0.03718  -0.06974 -0.00297 75  GLU A CA  
476  C C   . GLU A 68  ? 0.63387 0.59581 0.59303 0.03503  -0.05811 0.00078  75  GLU A C   
477  O O   . GLU A 68  ? 0.63632 0.58238 0.57478 0.03120  -0.05521 0.00482  75  GLU A O   
478  C CB  . GLU A 68  ? 0.71467 0.71280 0.68850 0.02387  -0.06891 -0.01220 75  GLU A CB  
479  C CG  . GLU A 68  ? 0.78696 0.81347 0.78218 0.02392  -0.07787 -0.01898 75  GLU A CG  
480  C CD  . GLU A 68  ? 1.00325 1.03477 0.98720 0.02113  -0.09003 -0.02032 75  GLU A CD  
481  O OE1 . GLU A 68  ? 1.18732 1.20046 1.14583 0.02471  -0.09331 -0.01403 75  GLU A OE1 
482  O OE2 . GLU A 68  ? 1.09069 1.14542 1.09148 0.01498  -0.09602 -0.02837 75  GLU A OE2 
483  N N   . LEU A 69  ? 0.55729 0.51997 0.53257 0.03780  -0.05167 -0.00177 76  LEU A N   
484  C CA  . LEU A 69  ? 0.54965 0.49565 0.52040 0.03530  -0.04166 -0.00062 76  LEU A CA  
485  C C   . LEU A 69  ? 0.59141 0.54874 0.57309 0.02783  -0.03477 -0.01012 76  LEU A C   
486  O O   . LEU A 69  ? 0.59285 0.56258 0.59313 0.03171  -0.03334 -0.01610 76  LEU A O   
487  C CB  . LEU A 69  ? 0.53448 0.46815 0.51263 0.04547  -0.04054 0.00447  76  LEU A CB  
488  C CG  . LEU A 69  ? 0.61572 0.53654 0.58207 0.05391  -0.04649 0.01639  76  LEU A CG  
489  C CD1 . LEU A 69  ? 0.56858 0.47456 0.54486 0.06273  -0.04408 0.02164  76  LEU A CD1 
490  C CD2 . LEU A 69  ? 0.61345 0.52052 0.55504 0.04833  -0.04369 0.02278  76  LEU A CD2 
491  N N   . HIS A 70  ? 0.54768 0.50046 0.51699 0.01793  -0.03026 -0.01134 77  HIS A N   
492  C CA  . HIS A 70  ? 0.57885 0.54167 0.55411 0.01037  -0.02394 -0.01839 77  HIS A CA  
493  C C   . HIS A 70  ? 0.59864 0.54717 0.55776 0.00349  -0.01864 -0.01659 77  HIS A C   
494  O O   . HIS A 70  ? 0.53096 0.46412 0.47651 0.00425  -0.01952 -0.01107 77  HIS A O   
495  C CB  . HIS A 70  ? 0.54625 0.52871 0.52932 0.00402  -0.02658 -0.02286 77  HIS A CB  
496  C CG  . HIS A 70  ? 0.55481 0.53238 0.52442 -0.00192 -0.03203 -0.02018 77  HIS A CG  
497  N ND1 . HIS A 70  ? 0.63158 0.61955 0.60545 0.00018  -0.04151 -0.02058 77  HIS A ND1 
498  C CD2 . HIS A 70  ? 0.55595 0.51926 0.50812 -0.00927 -0.02994 -0.01819 77  HIS A CD2 
499  C CE1 . HIS A 70  ? 0.60593 0.58582 0.56460 -0.00639 -0.04484 -0.01990 77  HIS A CE1 
500  N NE2 . HIS A 70  ? 0.55427 0.51836 0.50002 -0.01192 -0.03749 -0.01839 77  HIS A NE2 
501  N N   . ILE A 71  ? 0.53101 0.48580 0.49163 -0.00258 -0.01288 -0.02117 78  ILE A N   
502  C CA  . ILE A 71  ? 0.54770 0.49136 0.49410 -0.00851 -0.00875 -0.01956 78  ILE A CA  
503  C C   . ILE A 71  ? 0.59236 0.54475 0.53655 -0.01801 -0.00610 -0.02137 78  ILE A C   
504  O O   . ILE A 71  ? 0.60602 0.57541 0.56182 -0.01988 -0.00315 -0.02598 78  ILE A O   
505  C CB  . ILE A 71  ? 0.57663 0.51645 0.52459 -0.00557 -0.00432 -0.02221 78  ILE A CB  
506  C CG1 . ILE A 71  ? 0.52347 0.45289 0.47591 0.00209  -0.00601 -0.01996 78  ILE A CG1 
507  C CG2 . ILE A 71  ? 0.53212 0.46312 0.46599 -0.01068 -0.00161 -0.02040 78  ILE A CG2 
508  C CD1 . ILE A 71  ? 0.54857 0.47586 0.50734 0.00456  -0.00274 -0.02497 78  ILE A CD1 
509  N N   . ASN A 72  ? 0.57560 0.51596 0.50563 -0.02398 -0.00634 -0.01770 79  ASN A N   
510  C CA  . ASN A 72  ? 0.54142 0.48478 0.46783 -0.03412 -0.00344 -0.01759 79  ASN A CA  
511  C C   . ASN A 72  ? 0.56623 0.49529 0.47751 -0.03659 0.00028  -0.01386 79  ASN A C   
512  O O   . ASN A 72  ? 0.51441 0.42818 0.41609 -0.03261 -0.00173 -0.01101 79  ASN A O   
513  C CB  . ASN A 72  ? 0.51860 0.45915 0.44313 -0.03967 -0.00858 -0.01720 79  ASN A CB  
514  C CG  . ASN A 72  ? 0.54593 0.50533 0.48694 -0.03849 -0.01338 -0.02131 79  ASN A CG  
515  O OD1 . ASN A 72  ? 0.52212 0.49939 0.47833 -0.03630 -0.01079 -0.02470 79  ASN A OD1 
516  N ND2 . ASN A 72  ? 0.49782 0.45423 0.43591 -0.03914 -0.02089 -0.02181 79  ASN A ND2 
517  N N   . LEU A 73  ? 0.53631 0.47149 0.44556 -0.04264 0.00588  -0.01354 80  LEU A N   
518  C CA  . LEU A 73  ? 0.53337 0.45593 0.42687 -0.04492 0.00867  -0.00873 80  LEU A CA  
519  C C   . LEU A 73  ? 0.57454 0.49089 0.46198 -0.05573 0.01092  -0.00435 80  LEU A C   
520  O O   . LEU A 73  ? 0.59607 0.52638 0.49115 -0.06331 0.01555  -0.00543 80  LEU A O   
521  C CB  . LEU A 73  ? 0.53895 0.47177 0.43091 -0.04271 0.01344  -0.01090 80  LEU A CB  
522  C CG  . LEU A 73  ? 0.49867 0.43914 0.40025 -0.03357 0.01201  -0.01740 80  LEU A CG  
523  C CD1 . LEU A 73  ? 0.52520 0.47695 0.42394 -0.03265 0.01687  -0.02177 80  LEU A CD1 
524  C CD2 . LEU A 73  ? 0.52960 0.45545 0.42734 -0.02722 0.00715  -0.01570 80  LEU A CD2 
525  N N   . ILE A 74  ? 0.57096 0.46637 0.44622 -0.05657 0.00823  0.00022  81  ILE A N   
526  C CA  . ILE A 74  ? 0.59746 0.48181 0.46825 -0.06692 0.00920  0.00371  81  ILE A CA  
527  C C   . ILE A 74  ? 0.63393 0.49761 0.48737 -0.06731 0.01077  0.01158  81  ILE A C   
528  O O   . ILE A 74  ? 0.68404 0.53078 0.52962 -0.06081 0.00657  0.01280  81  ILE A O   
529  C CB  . ILE A 74  ? 0.58723 0.46374 0.46122 -0.06754 0.00292  -0.00010 81  ILE A CB  
530  C CG1 . ILE A 74  ? 0.53157 0.42826 0.42100 -0.06468 -0.00045 -0.00662 81  ILE A CG1 
531  C CG2 . ILE A 74  ? 0.58134 0.44670 0.45365 -0.07977 0.00356  0.00135  81  ILE A CG2 
532  C CD1 . ILE A 74  ? 0.56540 0.45590 0.45424 -0.06283 -0.00782 -0.01042 81  ILE A CD1 
533  N N   . PRO A 75  ? 0.63574 0.50037 0.48253 -0.07406 0.01691  0.01749  82  PRO A N   
534  C CA  . PRO A 75  ? 0.69360 0.53622 0.52246 -0.07423 0.01756  0.02689  82  PRO A CA  
535  C C   . PRO A 75  ? 0.72408 0.54680 0.55031 -0.08465 0.01836  0.03124  82  PRO A C   
536  O O   . PRO A 75  ? 0.70374 0.53414 0.54100 -0.09604 0.02139  0.02883  82  PRO A O   
537  C CB  . PRO A 75  ? 0.67073 0.52522 0.49153 -0.07647 0.02435  0.03172  82  PRO A CB  
538  C CG  . PRO A 75  ? 0.65459 0.53361 0.49145 -0.08393 0.03003  0.02577  82  PRO A CG  
539  C CD  . PRO A 75  ? 0.64459 0.53178 0.49908 -0.08024 0.02408  0.01616  82  PRO A CD  
540  N N   . ASN A 76  ? 0.72369 0.52041 0.53668 -0.08046 0.01526  0.03714  83  ASN A N   
541  C CA  . ASN A 76  ? 0.75041 0.52196 0.55956 -0.08903 0.01540  0.04109  83  ASN A CA  
542  C C   . ASN A 76  ? 0.81405 0.56249 0.60463 -0.08595 0.01638  0.05363  83  ASN A C   
543  O O   . ASN A 76  ? 0.82675 0.56309 0.60974 -0.07335 0.01093  0.05474  83  ASN A O   
544  C CB  . ASN A 76  ? 0.80027 0.55968 0.61400 -0.08468 0.00861  0.03255  83  ASN A CB  
545  C CG  . ASN A 76  ? 0.80476 0.54008 0.61793 -0.09526 0.00835  0.03276  83  ASN A CG  
546  O OD1 . ASN A 76  ? 0.84660 0.56567 0.65293 -0.10355 0.01277  0.04226  83  ASN A OD1 
547  N ND2 . ASN A 76  ? 0.84600 0.57797 0.66551 -0.09523 0.00314  0.02220  83  ASN A ND2 
548  N N   . LYS A 77  ? 0.85296 0.59583 0.63664 -0.09718 0.02345  0.06362  84  LYS A N   
549  C CA  . LYS A 77  ? 0.86511 0.58510 0.62845 -0.09401 0.02426  0.07790  84  LYS A CA  
550  C C   . LYS A 77  ? 0.92829 0.61208 0.68709 -0.09296 0.01997  0.08121  84  LYS A C   
551  O O   . LYS A 77  ? 0.88336 0.54676 0.62738 -0.08303 0.01638  0.09025  84  LYS A O   
552  C CB  . LYS A 77  ? 0.83753 0.56141 0.59286 -0.10700 0.03461  0.08907  84  LYS A CB  
553  C CG  . LYS A 77  ? 0.86922 0.62316 0.61980 -0.10362 0.03894  0.08879  84  LYS A CG  
554  C CD  . LYS A 77  ? 1.01245 0.76702 0.74995 -0.11546 0.05041  0.10183  84  LYS A CD  
555  C CE  . LYS A 77  ? 1.01146 0.79660 0.74251 -0.11167 0.05540  0.09966  84  LYS A CE  
556  N NZ  . LYS A 77  ? 0.99494 0.81203 0.75018 -0.11476 0.05814  0.08438  84  LYS A NZ  
557  N N   . GLN A 78  ? 0.93187 0.60737 0.70339 -0.10238 0.01960  0.07328  85  GLN A N   
558  C CA  . GLN A 78  ? 0.94480 0.58431 0.71259 -0.10180 0.01579  0.07410  85  GLN A CA  
559  C C   . GLN A 78  ? 0.93819 0.57053 0.70306 -0.08310 0.00768  0.06816  85  GLN A C   
560  O O   . GLN A 78  ? 0.98088 0.58548 0.73546 -0.07459 0.00460  0.07469  85  GLN A O   
561  C CB  . GLN A 78  ? 0.97438 0.61029 0.75727 -0.11626 0.01615  0.06376  85  GLN A CB  
562  C CG  . GLN A 78  ? 1.10552 0.70323 0.88461 -0.12660 0.01769  0.06970  85  GLN A CG  
563  C CD  . GLN A 78  ? 1.24576 0.83893 1.02046 -0.14188 0.02744  0.08494  85  GLN A CD  
564  O OE1 . GLN A 78  ? 1.31356 0.88096 1.07158 -0.13928 0.02971  0.10048  85  GLN A OE1 
565  N NE2 . GLN A 78  ? 1.22873 0.84778 1.01843 -0.15749 0.03352  0.08108  85  GLN A NE2 
566  N N   . ASP A 79  ? 0.85666 0.51390 0.63136 -0.07626 0.00460  0.05625  86  ASP A N   
567  C CA  . ASP A 79  ? 0.86758 0.52333 0.64175 -0.05950 -0.00120 0.05044  86  ASP A CA  
568  C C   . ASP A 79  ? 0.88813 0.55982 0.65754 -0.04747 -0.00268 0.05577  86  ASP A C   
569  O O   . ASP A 79  ? 0.93639 0.60710 0.70660 -0.03352 -0.00710 0.05262  86  ASP A O   
570  C CB  . ASP A 79  ? 0.86832 0.54078 0.65432 -0.05864 -0.00328 0.03580  86  ASP A CB  
571  C CG  . ASP A 79  ? 0.95648 0.61728 0.74750 -0.07072 -0.00358 0.02821  86  ASP A CG  
572  O OD1 . ASP A 79  ? 0.98458 0.61686 0.77056 -0.07664 -0.00306 0.03211  86  ASP A OD1 
573  O OD2 . ASP A 79  ? 0.93428 0.61394 0.73449 -0.07434 -0.00496 0.01828  86  ASP A OD2 
574  N N   . ARG A 80  ? 0.79420 0.48180 0.55943 -0.05274 0.00104  0.06265  87  ARG A N   
575  C CA  . ARG A 80  ? 0.75425 0.45907 0.51447 -0.04264 -0.00106 0.06585  87  ARG A CA  
576  C C   . ARG A 80  ? 0.70619 0.43383 0.47980 -0.03452 -0.00399 0.05394  87  ARG A C   
577  O O   . ARG A 80  ? 0.68240 0.41386 0.45675 -0.02207 -0.00869 0.05279  87  ARG A O   
578  C CB  . ARG A 80  ? 0.78065 0.46522 0.52744 -0.03129 -0.00601 0.07591  87  ARG A CB  
579  C CG  . ARG A 80  ? 0.81398 0.51498 0.55158 -0.02353 -0.00878 0.08132  87  ARG A CG  
580  C CD  . ARG A 80  ? 0.89108 0.56956 0.61060 -0.01619 -0.01294 0.09568  87  ARG A CD  
581  N NE  . ARG A 80  ? 0.93345 0.61039 0.65714 0.00090  -0.02188 0.09321  87  ARG A NE  
582  C CZ  . ARG A 80  ? 1.02231 0.67328 0.73948 0.01049  -0.02695 0.10094  87  ARG A CZ  
583  N NH1 . ARG A 80  ? 1.03783 0.65839 0.74197 0.00457  -0.02424 0.11282  87  ARG A NH1 
584  N NH2 . ARG A 80  ? 0.99318 0.64868 0.71860 0.02646  -0.03470 0.09672  87  ARG A NH2 
585  N N   . THR A 81  ? 0.68344 0.42652 0.46878 -0.04182 -0.00126 0.04543  88  THR A N   
586  C CA  . THR A 81  ? 0.64720 0.40949 0.44462 -0.03549 -0.00314 0.03565  88  THR A CA  
587  C C   . THR A 81  ? 0.68638 0.47424 0.49143 -0.04099 0.00017  0.03217  88  THR A C   
588  O O   . THR A 81  ? 0.63059 0.42286 0.43601 -0.05175 0.00456  0.03399  88  THR A O   
589  C CB  . THR A 81  ? 0.66535 0.42034 0.46929 -0.03582 -0.00441 0.02772  88  THR A CB  
590  O OG1 . THR A 81  ? 0.72860 0.48255 0.53543 -0.04864 -0.00217 0.02584  88  THR A OG1 
591  C CG2 . THR A 81  ? 0.75851 0.48881 0.55603 -0.02848 -0.00711 0.02882  88  THR A CG2 
592  N N   . LEU A 82  ? 0.66752 0.47220 0.48017 -0.03350 -0.00153 0.02684  89  LEU A N   
593  C CA  . LEU A 82  ? 0.59345 0.42081 0.41637 -0.03620 0.00085  0.02120  89  LEU A CA  
594  C C   . LEU A 82  ? 0.60522 0.43812 0.43991 -0.03168 -0.00119 0.01407  89  LEU A C   
595  O O   . LEU A 82  ? 0.56518 0.39546 0.40165 -0.02331 -0.00363 0.01277  89  LEU A O   
596  C CB  . LEU A 82  ? 0.63417 0.47511 0.45465 -0.03181 0.00086  0.02119  89  LEU A CB  
597  C CG  . LEU A 82  ? 0.59981 0.46256 0.43194 -0.03314 0.00344  0.01385  89  LEU A CG  
598  C CD1 . LEU A 82  ? 0.63003 0.50073 0.46361 -0.04323 0.00922  0.01444  89  LEU A CD1 
599  C CD2 . LEU A 82  ? 0.56529 0.43955 0.39539 -0.02750 0.00214  0.01100  89  LEU A CD2 
600  N N   . THR A 83  ? 0.59403 0.43544 0.43694 -0.03709 -0.00011 0.01001  90  THR A N   
601  C CA  . THR A 83  ? 0.55317 0.39814 0.40388 -0.03315 -0.00230 0.00497  90  THR A CA  
602  C C   . THR A 83  ? 0.58897 0.45339 0.45180 -0.03195 -0.00147 0.00102  90  THR A C   
603  O O   . THR A 83  ? 0.58396 0.46031 0.45182 -0.03748 0.00077  -0.00012 90  THR A O   
604  C CB  . THR A 83  ? 0.60166 0.43876 0.45089 -0.03881 -0.00405 0.00300  90  THR A CB  
605  O OG1 . THR A 83  ? 0.61313 0.42932 0.45160 -0.04011 -0.00452 0.00586  90  THR A OG1 
606  C CG2 . THR A 83  ? 0.58269 0.42211 0.43492 -0.03333 -0.00672 -0.00110 90  THR A CG2 
607  N N   . ILE A 84  ? 0.56632 0.43352 0.43479 -0.02468 -0.00260 -0.00098 91  ILE A N   
608  C CA  . ILE A 84  ? 0.56328 0.44444 0.44392 -0.02215 -0.00237 -0.00448 91  ILE A CA  
609  C C   . ILE A 84  ? 0.57709 0.45601 0.45978 -0.01949 -0.00476 -0.00475 91  ILE A C   
610  O O   . ILE A 84  ? 0.56838 0.43895 0.44753 -0.01471 -0.00477 -0.00318 91  ILE A O   
611  C CB  . ILE A 84  ? 0.57923 0.46419 0.46518 -0.01664 -0.00155 -0.00608 91  ILE A CB  
612  C CG1 . ILE A 84  ? 0.56150 0.45069 0.44248 -0.01866 -0.00029 -0.00646 91  ILE A CG1 
613  C CG2 . ILE A 84  ? 0.52064 0.41524 0.41989 -0.01347 -0.00140 -0.00969 91  ILE A CG2 
614  C CD1 . ILE A 84  ? 0.60980 0.48845 0.48056 -0.01663 -0.00187 -0.00264 91  ILE A CD1 
615  N N   . VAL A 85  ? 0.59540 0.48318 0.48364 -0.02230 -0.00673 -0.00667 92  VAL A N   
616  C CA  . VAL A 85  ? 0.54846 0.43575 0.43639 -0.01945 -0.01061 -0.00666 92  VAL A CA  
617  C C   . VAL A 85  ? 0.58272 0.48084 0.48303 -0.01399 -0.01146 -0.00722 92  VAL A C   
618  O O   . VAL A 85  ? 0.57283 0.48362 0.48445 -0.01510 -0.01046 -0.01025 92  VAL A O   
619  C CB  . VAL A 85  ? 0.59153 0.48116 0.47743 -0.02612 -0.01446 -0.00900 92  VAL A CB  
620  C CG1 . VAL A 85  ? 0.53651 0.42579 0.41848 -0.02219 -0.02003 -0.00943 92  VAL A CG1 
621  C CG2 . VAL A 85  ? 0.64550 0.52126 0.52051 -0.03211 -0.01314 -0.00855 92  VAL A CG2 
622  N N   . ASP A 86  ? 0.57949 0.47184 0.47738 -0.00775 -0.01260 -0.00408 93  ASP A N   
623  C CA  . ASP A 86  ? 0.56676 0.46506 0.47487 -0.00172 -0.01431 -0.00288 93  ASP A CA  
624  C C   . ASP A 86  ? 0.56415 0.45812 0.46314 0.00232  -0.01876 0.00128  93  ASP A C   
625  O O   . ASP A 86  ? 0.58157 0.46566 0.46591 0.00182  -0.01817 0.00319  93  ASP A O   
626  C CB  . ASP A 86  ? 0.49264 0.38609 0.40776 0.00229  -0.00986 -0.00161 93  ASP A CB  
627  C CG  . ASP A 86  ? 0.64837 0.52905 0.55466 0.00456  -0.00694 0.00362  93  ASP A CG  
628  O OD1 . ASP A 86  ? 0.66003 0.53589 0.56240 0.00892  -0.00776 0.00900  93  ASP A OD1 
629  O OD2 . ASP A 86  ? 0.63012 0.50642 0.53342 0.00240  -0.00357 0.00271  93  ASP A OD2 
630  N N   . THR A 87  ? 0.51146 0.41330 0.41844 0.00724  -0.02344 0.00238  94  THR A N   
631  C CA  . THR A 87  ? 0.58474 0.48304 0.48174 0.01296  -0.02866 0.00777  94  THR A CA  
632  C C   . THR A 87  ? 0.60277 0.49120 0.50085 0.02016  -0.02536 0.01548  94  THR A C   
633  O O   . THR A 87  ? 0.64122 0.53026 0.54022 0.02716  -0.03015 0.02063  94  THR A O   
634  C CB  . THR A 87  ? 0.52951 0.44310 0.43432 0.01473  -0.03767 0.00509  94  THR A CB  
635  O OG1 . THR A 87  ? 0.55767 0.48288 0.48369 0.01653  -0.03674 0.00169  94  THR A OG1 
636  C CG2 . THR A 87  ? 0.52205 0.44262 0.42254 0.00627  -0.04149 -0.00147 94  THR A CG2 
637  N N   . GLY A 88  ? 0.58816 0.46725 0.48710 0.01847  -0.01749 0.01673  95  GLY A N   
638  C CA  . GLY A 88  ? 0.59614 0.46497 0.49883 0.02298  -0.01301 0.02374  95  GLY A CA  
639  C C   . GLY A 88  ? 0.62688 0.48538 0.51164 0.02603  -0.01116 0.03292  95  GLY A C   
640  O O   . GLY A 88  ? 0.61638 0.47683 0.48495 0.02693  -0.01592 0.03354  95  GLY A O   
641  N N   . ILE A 89  ? 0.64846 0.49633 0.53580 0.02712  -0.00383 0.03967  96  ILE A N   
642  C CA  . ILE A 89  ? 0.64631 0.48462 0.51607 0.03002  0.00008  0.04998  96  ILE A CA  
643  C C   . ILE A 89  ? 0.62092 0.45907 0.47525 0.02662  0.00478  0.04731  96  ILE A C   
644  O O   . ILE A 89  ? 0.67626 0.51021 0.51001 0.02939  0.00618  0.05287  96  ILE A O   
645  C CB  . ILE A 89  ? 0.64304 0.46985 0.52299 0.03078  0.00796  0.05860  96  ILE A CB  
646  C CG1 . ILE A 89  ? 0.67189 0.48842 0.53224 0.03455  0.01228  0.07218  96  ILE A CG1 
647  C CG2 . ILE A 89  ? 0.62877 0.45595 0.52244 0.02429  0.01613  0.05328  96  ILE A CG2 
648  C CD1 . ILE A 89  ? 0.69780 0.50061 0.56806 0.03593  0.01827  0.08336  96  ILE A CD1 
649  N N   . GLY A 90  ? 0.66106 0.50350 0.52357 0.02158  0.00690  0.03870  97  GLY A N   
650  C CA  . GLY A 90  ? 0.62777 0.46900 0.47816 0.01972  0.01104  0.03543  97  GLY A CA  
651  C C   . GLY A 90  ? 0.62865 0.46533 0.48159 0.01954  0.02213  0.04029  97  GLY A C   
652  O O   . GLY A 90  ? 0.61957 0.45290 0.48385 0.01948  0.02693  0.04667  97  GLY A O   
653  N N   . MET A 91  ? 0.62859 0.46516 0.47246 0.01931  0.02664  0.03671  98  MET A N   
654  C CA  . MET A 91  ? 0.65951 0.49549 0.50765 0.01923  0.03803  0.03987  98  MET A CA  
655  C C   . MET A 91  ? 0.68977 0.52292 0.51477 0.02275  0.04339  0.04115  98  MET A C   
656  O O   . MET A 91  ? 0.67197 0.50397 0.48207 0.02418  0.03818  0.03436  98  MET A O   
657  C CB  . MET A 91  ? 0.64249 0.48414 0.50829 0.01672  0.03959  0.03246  98  MET A CB  
658  C CG  . MET A 91  ? 0.65683 0.50234 0.54453 0.01331  0.03562  0.03014  98  MET A CG  
659  S SD  . MET A 91  ? 0.66988 0.52245 0.57000 0.01164  0.03202  0.02048  98  MET A SD  
660  C CE  . MET A 91  ? 0.59632 0.44541 0.47825 0.01214  0.02359  0.01591  98  MET A CE  
661  N N   . THR A 92  ? 0.67279 0.50450 0.49489 0.02369  0.05445  0.04946  99  THR A N   
662  C CA  . THR A 92  ? 0.71901 0.54951 0.51870 0.02740  0.06229  0.05065  99  THR A CA  
663  C C   . THR A 92  ? 0.73864 0.57484 0.54722 0.02786  0.06977  0.04268  99  THR A C   
664  O O   . THR A 92  ? 0.73326 0.57459 0.56542 0.02530  0.06866  0.03801  99  THR A O   
665  C CB  . THR A 92  ? 0.74317 0.57019 0.53510 0.02798  0.07272  0.06437  99  THR A CB  
666  O OG1 . THR A 92  ? 0.76528 0.59663 0.58181 0.02372  0.08411  0.06759  99  THR A OG1 
667  C CG2 . THR A 92  ? 0.69595 0.51623 0.48491 0.02855  0.06459  0.07339  99  THR A CG2 
668  N N   . LYS A 93  ? 0.74217 0.57800 0.53083 0.03216  0.07704  0.04062  100 LYS A N   
669  C CA  . LYS A 93  ? 0.77010 0.61178 0.56743 0.03459  0.08495  0.03283  100 LYS A CA  
670  C C   . LYS A 93  ? 0.74430 0.59577 0.56799 0.03165  0.09673  0.03797  100 LYS A C   
671  O O   . LYS A 93  ? 0.68811 0.54757 0.53303 0.03215  0.09821  0.03134  100 LYS A O   
672  C CB  . LYS A 93  ? 0.75799 0.59749 0.52775 0.04054  0.09176  0.02887  100 LYS A CB  
673  C CG  . LYS A 93  ? 0.72866 0.57165 0.50506 0.04526  0.09652  0.01747  100 LYS A CG  
674  C CD  . LYS A 93  ? 0.76593 0.60906 0.51777 0.05157  0.10763  0.01388  100 LYS A CD  
675  C CE  . LYS A 93  ? 0.82724 0.66987 0.58264 0.05805  0.10907  -0.00004 100 LYS A CE  
676  N NZ  . LYS A 93  ? 0.88727 0.73365 0.62439 0.06503  0.12363  -0.00450 100 LYS A NZ  
677  N N   . ALA A 94  ? 0.70296 0.55381 0.52650 0.02846  0.10475  0.05004  101 ALA A N   
678  C CA  . ALA A 94  ? 0.78136 0.64116 0.63247 0.02357  0.11629  0.05509  101 ALA A CA  
679  C C   . ALA A 94  ? 0.76934 0.63241 0.65084 0.01859  0.10728  0.05126  101 ALA A C   
680  O O   . ALA A 94  ? 0.76089 0.63551 0.66979 0.01585  0.11223  0.04784  101 ALA A O   
681  C CB  . ALA A 94  ? 0.66477 0.51913 0.50726 0.02035  0.12661  0.07036  101 ALA A CB  
682  N N   . ASP A 95  ? 0.75312 0.60780 0.63052 0.01762  0.09394  0.05101  102 ASP A N   
683  C CA  . ASP A 95  ? 0.74801 0.60598 0.65004 0.01376  0.08499  0.04566  102 ASP A CA  
684  C C   . ASP A 95  ? 0.72626 0.59273 0.63788 0.01629  0.08042  0.03438  102 ASP A C   
685  O O   . ASP A 95  ? 0.72018 0.59627 0.65715 0.01370  0.07997  0.03022  102 ASP A O   
686  C CB  . ASP A 95  ? 0.70251 0.55153 0.59577 0.01361  0.07251  0.04631  102 ASP A CB  
687  C CG  . ASP A 95  ? 0.70594 0.54578 0.59398 0.01229  0.07512  0.05792  102 ASP A CG  
688  O OD1 . ASP A 95  ? 0.72170 0.56115 0.62206 0.00856  0.08563  0.06524  102 ASP A OD1 
689  O OD2 . ASP A 95  ? 0.77531 0.60834 0.64804 0.01501  0.06655  0.06006  102 ASP A OD2 
690  N N   . LEU A 96  ? 0.72342 0.58574 0.61485 0.02157  0.07633  0.02925  103 LEU A N   
691  C CA  . LEU A 96  ? 0.65503 0.52098 0.55277 0.02484  0.07059  0.01992  103 LEU A CA  
692  C C   . LEU A 96  ? 0.69904 0.57740 0.61479 0.02770  0.07963  0.01687  103 LEU A C   
693  O O   . LEU A 96  ? 0.72639 0.61109 0.65710 0.02989  0.07424  0.01072  103 LEU A O   
694  C CB  . LEU A 96  ? 0.60841 0.46415 0.48073 0.02925  0.06547  0.01533  103 LEU A CB  
695  C CG  . LEU A 96  ? 0.62736 0.47396 0.48488 0.02649  0.05484  0.01609  103 LEU A CG  
696  C CD1 . LEU A 96  ? 0.60232 0.43963 0.43773 0.02965  0.05044  0.01003  103 LEU A CD1 
697  C CD2 . LEU A 96  ? 0.63037 0.47933 0.50331 0.02259  0.04566  0.01426  103 LEU A CD2 
698  N N   . ILE A 97  ? 0.67566 0.55882 0.59060 0.02807  0.09336  0.02136  104 ILE A N   
699  C CA  . ILE A 97  ? 0.73977 0.63662 0.66997 0.03214  0.10364  0.01740  104 ILE A CA  
700  C C   . ILE A 97  ? 0.82004 0.73218 0.78281 0.02587  0.11089  0.02050  104 ILE A C   
701  O O   . ILE A 97  ? 0.96361 0.89012 0.95182 0.02747  0.10945  0.01423  104 ILE A O   
702  C CB  . ILE A 97  ? 0.76271 0.65715 0.66988 0.03732  0.11590  0.01838  104 ILE A CB  
703  C CG1 . ILE A 97  ? 0.74000 0.62121 0.62109 0.04399  0.10742  0.01093  104 ILE A CG1 
704  C CG2 . ILE A 97  ? 0.80143 0.71337 0.72792 0.04094  0.12990  0.01524  104 ILE A CG2 
705  C CD1 . ILE A 97  ? 0.70059 0.57599 0.55195 0.04857  0.11621  0.01056  104 ILE A CD1 
706  N N   . ASN A 98  ? 0.75149 0.66061 0.71524 0.01860  0.11811  0.03011  105 ASN A N   
707  C CA  . ASN A 98  ? 0.86045 0.78330 0.85715 0.01122  0.12641  0.03256  105 ASN A CA  
708  C C   . ASN A 98  ? 0.84552 0.76066 0.85341 0.00217  0.12134  0.03775  105 ASN A C   
709  O O   . ASN A 98  ? 0.86118 0.78707 0.90063 -0.00423 0.12128  0.03483  105 ASN A O   
710  C CB  . ASN A 98  ? 0.88512 0.81516 0.88116 0.01005  0.14645  0.03956  105 ASN A CB  
711  C CG  . ASN A 98  ? 0.98491 0.89981 0.94158 0.01360  0.15179  0.04737  105 ASN A CG  
712  O OD1 . ASN A 98  ? 1.17994 1.07945 1.12077 0.01033  0.14746  0.05582  105 ASN A OD1 
713  N ND2 . ASN A 98  ? 0.95812 0.87798 0.89894 0.02104  0.16098  0.04401  105 ASN A ND2 
714  N N   . ASN A 99  ? 0.96815 0.63445 0.56961 0.04982  0.11481  0.16968  106 ASN A N   
715  C CA  . ASN A 99  ? 0.98387 0.67451 0.63915 0.05700  0.11224  0.18960  106 ASN A CA  
716  C C   . ASN A 99  ? 0.97268 0.68020 0.69359 0.04398  0.10206  0.17338  106 ASN A C   
717  O O   . ASN A 99  ? 0.98802 0.69578 0.76618 0.04685  0.11743  0.17878  106 ASN A O   
718  C CB  . ASN A 99  ? 0.93205 0.65054 0.55397 0.06510  0.08870  0.20420  106 ASN A CB  
719  C CG  . ASN A 99  ? 0.98447 0.69082 0.54363 0.08509  0.10163  0.22900  106 ASN A CG  
720  O OD1 . ASN A 99  ? 1.04561 0.72064 0.59988 0.09460  0.13526  0.24197  106 ASN A OD1 
721  N ND2 . ASN A 99  ? 0.96573 0.70425 0.47717 0.09189  0.07530  0.23654  106 ASN A ND2 
722  N N   . LEU A 100 ? 0.92754 0.64800 0.63838 0.02713  0.07807  0.15200  107 LEU A N   
723  C CA  . LEU A 100 ? 0.96734 0.70676 0.73130 0.01649  0.06920  0.13867  107 LEU A CA  
724  C C   . LEU A 100 ? 0.95085 0.67607 0.74446 0.01536  0.08506  0.12800  107 LEU A C   
725  O O   . LEU A 100 ? 0.92690 0.66941 0.77190 0.01255  0.08502  0.12142  107 LEU A O   
726  C CB  . LEU A 100 ? 0.89964 0.65532 0.64257 -0.00370 0.04473  0.12145  107 LEU A CB  
727  C CG  . LEU A 100 ? 0.90343 0.69699 0.62948 -0.00522 0.02302  0.12855  107 LEU A CG  
728  C CD1 . LEU A 100 ? 0.89013 0.70856 0.61088 -0.03315 0.00191  0.10840  107 LEU A CD1 
729  C CD2 . LEU A 100 ? 0.90119 0.72408 0.67416 0.01634  0.02446  0.14948  107 LEU A CD2 
730  N N   . GLY A 101 ? 0.97377 0.67249 0.73508 0.01979  0.09850  0.12507  108 GLY A N   
731  C CA  . GLY A 101 ? 0.91118 0.61027 0.70428 0.02474  0.11217  0.11803  108 GLY A CA  
732  C C   . GLY A 101 ? 0.96807 0.68265 0.81419 0.03102  0.13304  0.12776  108 GLY A C   
733  O O   . GLY A 101 ? 0.95186 0.69028 0.84800 0.02860  0.13607  0.11803  108 GLY A O   
734  N N   . THR A 102 ? 0.92781 0.63060 0.76243 0.03751  0.14839  0.14693  109 THR A N   
735  C CA  . THR A 102 ? 0.91225 0.62109 0.79858 0.03774  0.17373  0.15800  109 THR A CA  
736  C C   . THR A 102 ? 0.91744 0.63852 0.85804 0.02738  0.16656  0.15211  109 THR A C   
737  O O   . THR A 102 ? 0.93178 0.66765 0.93054 0.01667  0.17860  0.14176  109 THR A O   
738  C CB  . THR A 102 ? 0.93636 0.62079 0.78671 0.04936  0.19558  0.18551  109 THR A CB  
739  O OG1 . THR A 102 ? 1.05536 0.72596 0.84650 0.05957  0.20314  0.18599  109 THR A OG1 
740  C CG2 . THR A 102 ? 0.94167 0.62402 0.84551 0.04516  0.22974  0.19889  109 THR A CG2 
741  N N   . ILE A 103 ? 0.92093 0.63977 0.84450 0.03002  0.14764  0.15594  110 ILE A N   
742  C CA  . ILE A 103 ? 0.95506 0.68211 0.92487 0.02484  0.14264  0.14778  110 ILE A CA  
743  C C   . ILE A 103 ? 0.92904 0.68284 0.93141 0.01091  0.13026  0.11809  110 ILE A C   
744  O O   . ILE A 103 ? 0.96694 0.72832 1.01898 0.00093  0.13773  0.10314  110 ILE A O   
745  C CB  . ILE A 103 ? 0.95834 0.69151 0.90422 0.03521  0.12344  0.15772  110 ILE A CB  
746  C CG1 . ILE A 103 ? 1.01318 0.72502 0.93618 0.05504  0.13672  0.19110  110 ILE A CG1 
747  C CG2 . ILE A 103 ? 0.96864 0.71639 0.95766 0.03163  0.11618  0.14194  110 ILE A CG2 
748  C CD1 . ILE A 103 ? 1.03226 0.76773 0.91443 0.06809  0.11167  0.20331  110 ILE A CD1 
749  N N   . ALA A 104 ? 0.85797 0.62329 0.82814 0.00973  0.11240  0.10881  111 ALA A N   
750  C CA  . ALA A 104 ? 0.86280 0.65300 0.85047 0.00192  0.09899  0.08681  111 ALA A CA  
751  C C   . ALA A 104 ? 0.85012 0.66112 0.87171 0.00013  0.10815  0.07610  111 ALA A C   
752  O O   . ALA A 104 ? 0.82857 0.66834 0.86602 -0.00345 0.09595  0.05870  111 ALA A O   
753  C CB  . ALA A 104 ? 0.86437 0.64947 0.80251 0.00175  0.08256  0.08534  111 ALA A CB  
754  N N   . LYS A 105 ? 0.82062 0.62571 0.85425 0.00333  0.12936  0.08678  112 LYS A N   
755  C CA  . LYS A 105 ? 0.80380 0.64567 0.88160 0.00051  0.13798  0.07592  112 LYS A CA  
756  C C   . LYS A 105 ? 0.80427 0.67310 0.94410 -0.01964 0.13851  0.05444  112 LYS A C   
757  O O   . LYS A 105 ? 0.74537 0.66281 0.91757 -0.02526 0.12783  0.03391  112 LYS A O   
758  C CB  . LYS A 105 ? 0.87389 0.70780 0.95379 0.00703  0.16565  0.09309  112 LYS A CB  
759  C CG  . LYS A 105 ? 0.88725 0.77435 1.02099 0.00539  0.17595  0.08320  112 LYS A CG  
760  C CD  . LYS A 105 ? 0.88120 0.76386 0.99576 0.02356  0.19998  0.10098  112 LYS A CD  
761  C CE  . LYS A 105 ? 0.92518 0.85691 1.11146 0.01247  0.22591  0.09901  112 LYS A CE  
762  N NZ  . LYS A 105 ? 0.87137 0.87462 1.09606 0.02454  0.21642  0.08599  112 LYS A NZ  
763  N N   . SER A 106 ? 0.75413 0.59103 0.90827 -0.02931 0.15116  0.05803  113 SER A N   
764  C CA  . SER A 106 ? 0.70326 0.55000 0.91132 -0.05118 0.15615  0.03299  113 SER A CA  
765  C C   . SER A 106 ? 0.73624 0.59706 0.93611 -0.05232 0.13180  0.00997  113 SER A C   
766  O O   . SER A 106 ? 0.68872 0.58293 0.92311 -0.06882 0.12472  -0.02126 113 SER A O   
767  C CB  . SER A 106 ? 0.78247 0.57523 1.00380 -0.05660 0.18434  0.04781  113 SER A CB  
768  O OG  . SER A 106 ? 0.86283 0.62083 1.04594 -0.03870 0.17707  0.06309  113 SER A OG  
769  N N   . GLY A 107 ? 0.73256 0.57389 0.88701 -0.03674 0.11945  0.02333  114 GLY A N   
770  C CA  . GLY A 107 ? 0.70883 0.56717 0.85336 -0.03693 0.10063  0.00460  114 GLY A CA  
771  C C   . GLY A 107 ? 0.67535 0.57842 0.80929 -0.03654 0.08114  -0.00915 114 GLY A C   
772  O O   . GLY A 107 ? 0.68440 0.61460 0.82497 -0.04262 0.06968  -0.03337 114 GLY A O   
773  N N   . THR A 108 ? 0.67690 0.58588 0.78935 -0.02565 0.07889  0.00723  115 THR A N   
774  C CA  . THR A 108 ? 0.68582 0.63390 0.78692 -0.01718 0.06327  0.00074  115 THR A CA  
775  C C   . THR A 108 ? 0.64855 0.65249 0.80195 -0.02768 0.06026  -0.02348 115 THR A C   
776  O O   . THR A 108 ? 0.61344 0.66101 0.76611 -0.02688 0.04208  -0.04143 115 THR A O   
777  C CB  . THR A 108 ? 0.68050 0.61182 0.74648 0.00151  0.06720  0.02430  115 THR A CB  
778  O OG1 . THR A 108 ? 0.74078 0.62150 0.76330 0.00318  0.07129  0.04146  115 THR A OG1 
779  C CG2 . THR A 108 ? 0.69450 0.64904 0.73359 0.01833  0.05263  0.02549  115 THR A CG2 
780  N N   . LYS A 109 ? 0.60984 0.61788 0.80828 -0.03926 0.07831  -0.02445 116 LYS A N   
781  C CA  . LYS A 109 ? 0.59870 0.66742 0.85744 -0.05805 0.07659  -0.05182 116 LYS A CA  
782  C C   . LYS A 109 ? 0.65330 0.73234 0.92784 -0.07982 0.06669  -0.08770 116 LYS A C   
783  O O   . LYS A 109 ? 0.64754 0.78961 0.93463 -0.08496 0.04593  -0.11397 116 LYS A O   
784  C CB  . LYS A 109 ? 0.59821 0.65742 0.90428 -0.07414 0.10546  -0.04564 116 LYS A CB  
785  C CG  . LYS A 109 ? 0.62733 0.76541 1.00227 -0.09336 0.10574  -0.06851 116 LYS A CG  
786  C CD  . LYS A 109 ? 0.66680 0.78400 1.09378 -0.12122 0.14095  -0.06701 116 LYS A CD  
787  C CE  . LYS A 109 ? 0.67342 0.84053 1.17239 -0.16437 0.14141  -0.11001 116 LYS A CE  
788  N NZ  . LYS A 109 ? 0.61581 0.89590 1.16670 -0.16755 0.12612  -0.12521 116 LYS A NZ  
789  N N   . ALA A 110 ? 0.61775 0.63619 0.88703 -0.08890 0.08139  -0.08904 117 ALA A N   
790  C CA  . ALA A 110 ? 0.63741 0.65360 0.91757 -0.10657 0.07800  -0.12516 117 ALA A CA  
791  C C   . ALA A 110 ? 0.63736 0.68224 0.87294 -0.09193 0.05279  -0.13406 117 ALA A C   
792  O O   . ALA A 110 ? 0.70821 0.78880 0.95041 -0.10495 0.04071  -0.17082 117 ALA A O   
793  C CB  . ALA A 110 ? 0.56600 0.50585 0.84567 -0.10835 0.10257  -0.11731 117 ALA A CB  
794  N N   . PHE A 111 ? 0.61573 0.64441 0.80262 -0.06726 0.04636  -0.10200 118 PHE A N   
795  C CA  . PHE A 111 ? 0.64693 0.69370 0.78859 -0.05502 0.02920  -0.10473 118 PHE A CA  
796  C C   . PHE A 111 ? 0.64340 0.75694 0.77784 -0.04849 0.00723  -0.11523 118 PHE A C   
797  O O   . PHE A 111 ? 0.61444 0.75768 0.72397 -0.04680 -0.00638 -0.13341 118 PHE A O   
798  C CB  . PHE A 111 ? 0.63720 0.64721 0.73292 -0.03722 0.03106  -0.06863 118 PHE A CB  
799  C CG  . PHE A 111 ? 0.64581 0.66871 0.69487 -0.02776 0.01960  -0.06592 118 PHE A CG  
800  C CD1 . PHE A 111 ? 0.63726 0.67112 0.68174 -0.03364 0.01946  -0.08903 118 PHE A CD1 
801  C CD2 . PHE A 111 ? 0.64657 0.66385 0.65331 -0.01259 0.01376  -0.03953 118 PHE A CD2 
802  C CE1 . PHE A 111 ? 0.69060 0.73743 0.69017 -0.02564 0.01368  -0.08374 118 PHE A CE1 
803  C CE2 . PHE A 111 ? 0.64458 0.66605 0.60637 -0.00612 0.00876  -0.03306 118 PHE A CE2 
804  C CZ  . PHE A 111 ? 0.72233 0.76234 0.68097 -0.01319 0.00877  -0.05401 118 PHE A CZ  
805  N N   . MET A 112 ? 0.62934 0.77191 0.78360 -0.04109 0.00432  -0.10268 119 MET A N   
806  C CA  . MET A 112 ? 0.64184 0.85632 0.79021 -0.02588 -0.01797 -0.10626 119 MET A CA  
807  C C   . MET A 112 ? 0.62294 0.90998 0.81990 -0.04959 -0.03138 -0.15011 119 MET A C   
808  O O   . MET A 112 ? 0.63059 0.98475 0.81147 -0.03982 -0.05604 -0.16347 119 MET A O   
809  C CB  . MET A 112 ? 0.59185 0.81395 0.74360 -0.00221 -0.01405 -0.07479 119 MET A CB  
810  C CG  . MET A 112 ? 0.59609 0.76259 0.68229 0.02545  -0.00976 -0.03764 119 MET A CG  
811  S SD  . MET A 112 ? 0.86973 0.99820 0.95426 0.04500  0.00996  -0.00510 119 MET A SD  
812  C CE  . MET A 112 ? 0.71963 0.83679 0.73812 0.08644  0.00233  0.02459  119 MET A CE  
813  N N   . GLU A 113 ? 0.61396 0.88846 0.86738 -0.08178 -0.01507 -0.17305 120 GLU A N   
814  C CA  . GLU A 113 ? 0.64471 0.97654 0.94342 -0.11500 -0.02499 -0.22363 120 GLU A CA  
815  C C   . GLU A 113 ? 0.66435 0.98806 0.92441 -0.12188 -0.03473 -0.25554 120 GLU A C   
816  O O   . GLU A 113 ? 0.69149 1.08684 0.95304 -0.13286 -0.05815 -0.29304 120 GLU A O   
817  C CB  . GLU A 113 ? 0.66376 0.95989 1.02543 -0.15145 0.00315  -0.23912 120 GLU A CB  
818  C CG  . GLU A 113 ? 0.64938 0.94279 1.04368 -0.14430 0.02095  -0.20445 120 GLU A CG  
819  C CD  . GLU A 113 ? 0.77808 1.07499 1.24719 -0.18641 0.04462  -0.22656 120 GLU A CD  
820  O OE1 . GLU A 113 ? 0.87196 1.18867 1.37394 -0.22438 0.04161  -0.27482 120 GLU A OE1 
821  O OE2 . GLU A 113 ? 0.73130 1.00736 1.22370 -0.18361 0.06904  -0.19680 120 GLU A OE2 
822  N N   . ALA A 114 ? 0.66059 0.90449 0.88522 -0.11423 -0.01708 -0.24206 121 ALA A N   
823  C CA  . ALA A 114 ? 0.68213 0.91698 0.86832 -0.11599 -0.02063 -0.26953 121 ALA A CA  
824  C C   . ALA A 114 ? 0.70815 0.99727 0.83602 -0.08986 -0.04625 -0.25940 121 ALA A C   
825  O O   . ALA A 114 ? 0.72392 1.04957 0.82546 -0.09515 -0.05928 -0.29399 121 ALA A O   
826  C CB  . ALA A 114 ? 0.60798 0.75753 0.77640 -0.10783 0.00510  -0.25097 121 ALA A CB  
827  N N   . LEU A 115 ? 0.70047 0.99019 0.80217 -0.06064 -0.05123 -0.21203 122 LEU A N   
828  C CA  . LEU A 115 ? 0.69651 1.02434 0.73769 -0.03213 -0.07017 -0.19402 122 LEU A CA  
829  C C   . LEU A 115 ? 0.77298 1.20043 0.82206 -0.03115 -0.10037 -0.22089 122 LEU A C   
830  O O   . LEU A 115 ? 0.83066 1.29860 0.82981 -0.02009 -0.11698 -0.23215 122 LEU A O   
831  C CB  . LEU A 115 ? 0.64477 0.94015 0.65959 -0.00288 -0.06470 -0.13969 122 LEU A CB  
832  C CG  . LEU A 115 ? 0.71196 0.92574 0.69575 -0.00077 -0.04267 -0.11259 122 LEU A CG  
833  C CD1 . LEU A 115 ? 0.65364 0.83015 0.61487 0.02070  -0.03623 -0.06749 122 LEU A CD1 
834  C CD2 . LEU A 115 ? 0.72448 0.93613 0.65533 0.00302  -0.04185 -0.11658 122 LEU A CD2 
835  N N   . GLN A 116 ? 0.74216 1.21804 0.85395 -0.04274 -0.10784 -0.23154 123 GLN A N   
836  C CA  . GLN A 116 ? 0.68292 1.27145 0.81548 -0.04694 -0.13970 -0.26296 123 GLN A CA  
837  C C   . GLN A 116 ? 0.72662 1.33888 0.87622 -0.08924 -0.14579 -0.32889 123 GLN A C   
838  O O   . GLN A 116 ? 0.71333 1.42289 0.86171 -0.09500 -0.17681 -0.36312 123 GLN A O   
839  C CB  . GLN A 116 ? 0.69034 1.33382 0.89476 -0.04888 -0.14304 -0.25514 123 GLN A CB  
840  C CG  . GLN A 116 ? 0.74541 1.41909 0.92709 0.00299  -0.15231 -0.20250 123 GLN A CG  
841  C CD  . GLN A 116 ? 0.91391 1.69337 1.06258 0.03401  -0.18988 -0.20341 123 GLN A CD  
842  O OE1 . GLN A 116 ? 0.91091 1.72108 1.02185 0.02426  -0.20805 -0.23424 123 GLN A OE1 
843  N NE2 . GLN A 116 ? 0.93632 1.77310 1.09548 0.07595  -0.20056 -0.16807 123 GLN A NE2 
844  N N   . ALA A 117 ? 0.71727 1.24290 0.87989 -0.11690 -0.11683 -0.34818 124 ALA A N   
845  C CA  . ALA A 117 ? 0.72236 1.24720 0.89418 -0.15540 -0.11501 -0.41245 124 ALA A CA  
846  C C   . ALA A 117 ? 0.75495 1.26636 0.84906 -0.14058 -0.11784 -0.42556 124 ALA A C   
847  O O   . ALA A 117 ? 0.83127 1.35718 0.91767 -0.16706 -0.12157 -0.48413 124 ALA A O   
848  C CB  . ALA A 117 ? 0.71438 1.14463 0.93504 -0.18627 -0.07750 -0.42462 124 ALA A CB  
849  N N   . GLY A 118 ? 0.79103 1.27313 0.82697 -0.10173 -0.11305 -0.37500 125 GLY A N   
850  C CA  . GLY A 118 ? 0.77500 1.25228 0.73666 -0.08646 -0.11227 -0.38193 125 GLY A CA  
851  C C   . GLY A 118 ? 0.81962 1.21101 0.75411 -0.06942 -0.08133 -0.34327 125 GLY A C   
852  O O   . GLY A 118 ? 0.90709 1.29393 0.78105 -0.05396 -0.07519 -0.33880 125 GLY A O   
853  N N   . ALA A 119 ? 0.81623 1.14604 0.79525 -0.07284 -0.06142 -0.31543 126 ALA A N   
854  C CA  . ALA A 119 ? 0.81836 1.07954 0.78005 -0.05920 -0.03587 -0.27994 126 ALA A CA  
855  C C   . ALA A 119 ? 0.85808 1.12630 0.76687 -0.03080 -0.04172 -0.22881 126 ALA A C   
856  O O   . ALA A 119 ? 0.88113 1.19427 0.77191 -0.01573 -0.06277 -0.21201 126 ALA A O   
857  C CB  . ALA A 119 ? 0.72194 0.92417 0.73920 -0.06845 -0.01716 -0.26265 126 ALA A CB  
858  N N   . ASP A 120 ? 0.82058 1.04373 0.70623 -0.02317 -0.02089 -0.20352 127 ASP A N   
859  C CA  . ASP A 120 ? 0.83926 1.05168 0.67684 -0.00405 -0.01853 -0.15586 127 ASP A CA  
860  C C   . ASP A 120 ? 0.80319 0.95817 0.66402 -0.00739 -0.00168 -0.12314 127 ASP A C   
861  O O   . ASP A 120 ? 0.74749 0.87531 0.65416 -0.01913 0.00913  -0.13455 127 ASP A O   
862  C CB  . ASP A 120 ? 0.90654 1.13303 0.68536 0.00373  -0.00904 -0.15725 127 ASP A CB  
863  C CG  . ASP A 120 ? 0.91019 1.10099 0.70028 -0.00380 0.01881  -0.15487 127 ASP A CG  
864  O OD1 . ASP A 120 ? 0.92436 1.10324 0.75582 -0.01397 0.02841  -0.18666 127 ASP A OD1 
865  O OD2 . ASP A 120 ? 0.88436 1.06015 0.64352 0.00090  0.03268  -0.12053 127 ASP A OD2 
866  N N   . ILE A 121 ? 0.77851 0.91322 0.60260 0.00370  0.00097  -0.08194 128 ILE A N   
867  C CA  . ILE A 121 ? 0.77269 0.85784 0.61092 -0.00136 0.01175  -0.05270 128 ILE A CA  
868  C C   . ILE A 121 ? 0.80127 0.86879 0.66069 -0.01453 0.02930  -0.05642 128 ILE A C   
869  O O   . ILE A 121 ? 0.70867 0.74736 0.59488 -0.02121 0.03414  -0.04387 128 ILE A O   
870  C CB  . ILE A 121 ? 0.79112 0.85182 0.57649 0.01065  0.01410  -0.01343 128 ILE A CB  
871  C CG1 . ILE A 121 ? 0.80632 0.87441 0.58952 0.02980  -0.00106 -0.00261 128 ILE A CG1 
872  C CG2 . ILE A 121 ? 0.85487 0.86478 0.63890 -0.00292 0.02961  0.01055  128 ILE A CG2 
873  C CD1 . ILE A 121 ? 0.80036 0.87456 0.52264 0.05511  -0.00482 0.02354  128 ILE A CD1 
874  N N   . SER A 122 ? 0.79359 0.88436 0.64238 -0.01546 0.03887  -0.07461 129 SER A N   
875  C CA  . SER A 122 ? 0.75310 0.83918 0.62327 -0.02197 0.05735  -0.07409 129 SER A CA  
876  C C   . SER A 122 ? 0.73884 0.81123 0.66550 -0.02292 0.06068  -0.09060 129 SER A C   
877  O O   . SER A 122 ? 0.70828 0.77810 0.65924 -0.02295 0.07252  -0.08145 129 SER A O   
878  C CB  . SER A 122 ? 0.72966 0.84686 0.57335 -0.01829 0.07119  -0.09034 129 SER A CB  
879  O OG  . SER A 122 ? 0.85831 0.98772 0.72202 -0.01443 0.07266  -0.13188 129 SER A OG  
880  N N   . MET A 123 ? 0.69473 0.76065 0.64417 -0.02345 0.05192  -0.11272 130 MET A N   
881  C CA  . MET A 123 ? 0.68933 0.72875 0.68784 -0.02419 0.05993  -0.12290 130 MET A CA  
882  C C   . MET A 123 ? 0.67291 0.68586 0.68914 -0.02653 0.05351  -0.09728 130 MET A C   
883  O O   . MET A 123 ? 0.63026 0.61970 0.68148 -0.02839 0.05869  -0.10477 130 MET A O   
884  C CB  . MET A 123 ? 0.72396 0.76360 0.74063 -0.02994 0.06130  -0.16590 130 MET A CB  
885  C CG  . MET A 123 ? 0.74464 0.81044 0.73422 -0.02815 0.06658  -0.19931 130 MET A CG  
886  S SD  . MET A 123 ? 0.91778 0.99111 0.91922 -0.04480 0.05957  -0.25639 130 MET A SD  
887  C CE  . MET A 123 ? 0.86009 0.99859 0.80704 -0.04417 0.03157  -0.25926 130 MET A CE  
888  N N   . ILE A 124 ? 0.65624 0.66669 0.64519 -0.02696 0.04601  -0.06764 131 ILE A N   
889  C CA  . ILE A 124 ? 0.61923 0.60327 0.61545 -0.02772 0.04173  -0.04598 131 ILE A CA  
890  C C   . ILE A 124 ? 0.65309 0.61746 0.67705 -0.02531 0.05036  -0.03501 131 ILE A C   
891  O O   . ILE A 124 ? 0.66342 0.60439 0.70157 -0.02397 0.05136  -0.02479 131 ILE A O   
892  C CB  . ILE A 124 ? 0.65551 0.63094 0.60884 -0.02861 0.03583  -0.02072 131 ILE A CB  
893  C CG1 . ILE A 124 ? 0.66166 0.60614 0.61471 -0.02780 0.03389  -0.00217 131 ILE A CG1 
894  C CG2 . ILE A 124 ? 0.59067 0.57126 0.52632 -0.03596 0.04253  -0.00944 131 ILE A CG2 
895  C CD1 . ILE A 124 ? 0.63690 0.55836 0.54431 -0.02752 0.03205  0.01827  131 ILE A CD1 
896  N N   . GLY A 125 ? 0.68675 0.66552 0.71872 -0.02149 0.05782  -0.03499 132 GLY A N   
897  C CA  . GLY A 125 ? 0.64334 0.61474 0.70052 -0.01232 0.06327  -0.02027 132 GLY A CA  
898  C C   . GLY A 125 ? 0.71584 0.65782 0.80585 -0.00185 0.07486  -0.02912 132 GLY A C   
899  O O   . GLY A 125 ? 0.65954 0.58155 0.76107 0.00745  0.07789  -0.00891 132 GLY A O   
900  N N   . GLN A 126 ? 0.67429 0.61032 0.77594 -0.00455 0.08289  -0.05973 133 GLN A N   
901  C CA  . GLN A 126 ? 0.71037 0.60695 0.84355 -0.00124 0.09898  -0.07260 133 GLN A CA  
902  C C   . GLN A 126 ? 0.67536 0.54599 0.81654 -0.01043 0.09805  -0.05993 133 GLN A C   
903  O O   . GLN A 126 ? 0.72273 0.55284 0.89004 -0.00940 0.11578  -0.06145 133 GLN A O   
904  C CB  . GLN A 126 ? 0.71719 0.61405 0.85656 -0.01104 0.10587  -0.11642 133 GLN A CB  
905  C CG  . GLN A 126 ? 0.67329 0.59943 0.79697 -0.00245 0.10961  -0.13341 133 GLN A CG  
906  C CD  . GLN A 126 ? 0.76969 0.69020 0.89329 -0.01165 0.11813  -0.18195 133 GLN A CD  
907  O OE1 . GLN A 126 ? 0.85316 0.81063 0.94707 -0.01555 0.11109  -0.20186 133 GLN A OE1 
908  N NE2 . GLN A 126 ? 0.77537 0.64640 0.92813 -0.01671 0.13502  -0.20206 133 GLN A NE2 
909  N N   . PHE A 127 ? 0.67058 0.55923 0.78925 -0.01828 0.08221  -0.04676 134 PHE A N   
910  C CA  . PHE A 127 ? 0.67653 0.54833 0.80189 -0.02442 0.08390  -0.03457 134 PHE A CA  
911  C C   . PHE A 127 ? 0.64577 0.50610 0.74730 -0.01479 0.08042  0.00072  134 PHE A C   
912  O O   . PHE A 127 ? 0.64784 0.49534 0.74592 -0.01694 0.08346  0.01336  134 PHE A O   
913  C CB  . PHE A 127 ? 0.66026 0.56306 0.77987 -0.03610 0.07103  -0.04990 134 PHE A CB  
914  C CG  . PHE A 127 ? 0.69636 0.62166 0.83444 -0.04820 0.06949  -0.08896 134 PHE A CG  
915  C CD1 . PHE A 127 ? 0.66863 0.62040 0.78270 -0.04535 0.06045  -0.10503 134 PHE A CD1 
916  C CD2 . PHE A 127 ? 0.64753 0.56915 0.82522 -0.06540 0.07852  -0.11168 134 PHE A CD2 
917  C CE1 . PHE A 127 ? 0.63654 0.61126 0.75863 -0.05633 0.05782  -0.14463 134 PHE A CE1 
918  C CE2 . PHE A 127 ? 0.62622 0.57202 0.81829 -0.08153 0.07471  -0.15454 134 PHE A CE2 
919  C CZ  . PHE A 127 ? 0.65416 0.62670 0.81483 -0.07541 0.06308  -0.17183 134 PHE A CZ  
920  N N   . GLY A 128 ? 0.68689 0.55743 0.77246 -0.00540 0.07451  0.01445  135 GLY A N   
921  C CA  . GLY A 128 ? 0.63989 0.50581 0.70231 0.00124  0.06876  0.04253  135 GLY A CA  
922  C C   . GLY A 128 ? 0.65107 0.52211 0.67418 -0.00930 0.05558  0.04852  135 GLY A C   
923  O O   . GLY A 128 ? 0.67626 0.54013 0.67403 -0.00781 0.05055  0.06616  135 GLY A O   
924  N N   . VAL A 129 ? 0.70125 0.58155 0.71373 -0.01813 0.05065  0.03446  136 VAL A N   
925  C CA  . VAL A 129 ? 0.66320 0.53334 0.63539 -0.02379 0.04369  0.04192  136 VAL A CA  
926  C C   . VAL A 129 ? 0.64260 0.52779 0.59270 -0.03338 0.03724  0.03852  136 VAL A C   
927  O O   . VAL A 129 ? 0.61338 0.48668 0.53251 -0.03609 0.03563  0.04035  136 VAL A O   
928  C CB  . VAL A 129 ? 0.59869 0.46406 0.57299 -0.01953 0.04655  0.03659  136 VAL A CB  
929  C CG1 . VAL A 129 ? 0.67793 0.52611 0.66786 -0.01422 0.05755  0.04511  136 VAL A CG1 
930  C CG2 . VAL A 129 ? 0.62455 0.51954 0.62678 -0.02078 0.04476  0.01486  136 VAL A CG2 
931  N N   . GLY A 130 ? 0.61642 0.55033 0.60904 -0.04443 -0.02689 -0.02748 137 GLY A N   
932  C CA  . GLY A 130 ? 0.55099 0.48711 0.53476 -0.03481 -0.02766 -0.02963 137 GLY A CA  
933  C C   . GLY A 130 ? 0.55090 0.49013 0.53030 -0.02565 -0.02640 -0.01970 137 GLY A C   
934  O O   . GLY A 130 ? 0.61684 0.56210 0.59011 -0.01926 -0.02680 -0.01874 137 GLY A O   
935  N N   . PHE A 131 ? 0.53394 0.46947 0.51616 -0.02569 -0.02451 -0.01263 138 PHE A N   
936  C CA  . PHE A 131 ? 0.50986 0.44603 0.48912 -0.01834 -0.02325 -0.00695 138 PHE A CA  
937  C C   . PHE A 131 ? 0.54431 0.49455 0.52340 -0.01275 -0.02463 -0.00582 138 PHE A C   
938  O O   . PHE A 131 ? 0.53461 0.48091 0.51078 -0.00631 -0.02388 -0.00205 138 PHE A O   
939  C CB  . PHE A 131 ? 0.48622 0.42142 0.46722 -0.01997 -0.02118 -0.00274 138 PHE A CB  
940  C CG  . PHE A 131 ? 0.48758 0.42660 0.46731 -0.01369 -0.01993 -0.00166 138 PHE A CG  
941  C CD1 . PHE A 131 ? 0.49216 0.42168 0.46900 -0.01063 -0.01946 -0.00113 138 PHE A CD1 
942  C CD2 . PHE A 131 ? 0.47505 0.42771 0.45852 -0.01097 -0.01898 -0.00266 138 PHE A CD2 
943  C CE1 . PHE A 131 ? 0.47810 0.40730 0.45532 -0.00652 -0.01814 -0.00288 138 PHE A CE1 
944  C CE2 . PHE A 131 ? 0.46779 0.41983 0.45155 -0.00405 -0.01722 -0.00423 138 PHE A CE2 
945  C CZ  . PHE A 131 ? 0.50633 0.44444 0.48671 -0.00261 -0.01682 -0.00497 138 PHE A CZ  
946  N N   . TYR A 132 ? 0.51336 0.48066 0.49720 -0.01515 -0.02671 -0.00801 139 TYR A N   
947  C CA  . TYR A 132 ? 0.48665 0.47064 0.47249 -0.00722 -0.02877 -0.00510 139 TYR A CA  
948  C C   . TYR A 132 ? 0.55856 0.54754 0.53737 -0.00258 -0.03173 -0.00315 139 TYR A C   
949  O O   . TYR A 132 ? 0.53627 0.53659 0.51560 0.00635  -0.03367 0.00326  139 TYR A O   
950  C CB  . TYR A 132 ? 0.50385 0.51161 0.49900 -0.01132 -0.03065 -0.00817 139 TYR A CB  
951  C CG  . TYR A 132 ? 0.56606 0.57497 0.56733 -0.01466 -0.02628 -0.00769 139 TYR A CG  
952  C CD1 . TYR A 132 ? 0.57886 0.58671 0.58120 -0.00531 -0.02301 -0.00529 139 TYR A CD1 
953  C CD2 . TYR A 132 ? 0.60894 0.61939 0.61453 -0.02759 -0.02475 -0.00975 139 TYR A CD2 
954  C CE1 . TYR A 132 ? 0.61877 0.63267 0.62421 -0.00808 -0.01838 -0.00618 139 TYR A CE1 
955  C CE2 . TYR A 132 ? 0.63407 0.64941 0.64317 -0.03109 -0.01988 -0.00679 139 TYR A CE2 
956  C CZ  . TYR A 132 ? 0.65661 0.67630 0.66449 -0.02099 -0.01672 -0.00562 139 TYR A CZ  
957  O OH  . TYR A 132 ? 0.78721 0.81680 0.79624 -0.02421 -0.01132 -0.00405 139 TYR A OH  
958  N N   . SER A 133 ? 0.52056 0.50271 0.49279 -0.00725 -0.03171 -0.00781 140 SER A N   
959  C CA  . SER A 133 ? 0.54860 0.53740 0.51142 -0.00276 -0.03277 -0.00518 140 SER A CA  
960  C C   . SER A 133 ? 0.54986 0.52628 0.50997 0.00440  -0.02926 0.00612  140 SER A C   
961  O O   . SER A 133 ? 0.57069 0.55421 0.52329 0.00871  -0.02926 0.01323  140 SER A O   
962  C CB  . SER A 133 ? 0.50724 0.49169 0.46461 -0.00851 -0.03180 -0.01535 140 SER A CB  
963  O OG  . SER A 133 ? 0.52858 0.49226 0.48704 -0.00849 -0.02716 -0.01424 140 SER A OG  
964  N N   . ALA A 134 ? 0.50975 0.46914 0.47565 0.00457  -0.02613 0.00784  141 ALA A N   
965  C CA  . ALA A 134 ? 0.52457 0.47043 0.49096 0.00904  -0.02292 0.01625  141 ALA A CA  
966  C C   . ALA A 134 ? 0.51402 0.46506 0.48157 0.01827  -0.02427 0.02644  141 ALA A C   
967  O O   . ALA A 134 ? 0.46781 0.40882 0.43386 0.02160  -0.02177 0.03671  141 ALA A O   
968  C CB  . ALA A 134 ? 0.44904 0.38058 0.42163 0.00698  -0.02059 0.01242  141 ALA A CB  
969  N N   . TYR A 135 ? 0.49546 0.46285 0.46730 0.02263  -0.02803 0.02508  142 TYR A N   
970  C CA  . TYR A 135 ? 0.51942 0.49452 0.49490 0.03462  -0.03015 0.03560  142 TYR A CA  
971  C C   . TYR A 135 ? 0.58201 0.57730 0.54822 0.03821  -0.03431 0.04471  142 TYR A C   
972  O O   . TYR A 135 ? 0.55144 0.55983 0.52023 0.04955  -0.03781 0.05541  142 TYR A O   
973  C CB  . TYR A 135 ? 0.48681 0.47731 0.47319 0.03896  -0.03222 0.02996  142 TYR A CB  
974  C CG  . TYR A 135 ? 0.52752 0.50042 0.52115 0.03880  -0.02722 0.02331  142 TYR A CG  
975  C CD1 . TYR A 135 ? 0.48666 0.44295 0.48697 0.04941  -0.02422 0.02724  142 TYR A CD1 
976  C CD2 . TYR A 135 ? 0.50954 0.48162 0.50266 0.02809  -0.02535 0.01307  142 TYR A CD2 
977  C CE1 . TYR A 135 ? 0.49536 0.43840 0.50072 0.04878  -0.01971 0.01754  142 TYR A CE1 
978  C CE2 . TYR A 135 ? 0.51440 0.47592 0.51113 0.02785  -0.02115 0.00699  142 TYR A CE2 
979  C CZ  . TYR A 135 ? 0.56000 0.50864 0.56227 0.03789  -0.01842 0.00749  142 TYR A CZ  
980  O OH  . TYR A 135 ? 0.53673 0.47774 0.54124 0.03728  -0.01430 -0.00213 142 TYR A OH  
981  N N   . LEU A 136 ? 0.56316 0.56377 0.51850 0.03002  -0.03403 0.04045  143 LEU A N   
982  C CA  . LEU A 136 ? 0.57032 0.58917 0.51318 0.03334  -0.03613 0.05016  143 LEU A CA  
983  C C   . LEU A 136 ? 0.55305 0.55383 0.49299 0.03790  -0.03090 0.06808  143 LEU A C   
984  O O   . LEU A 136 ? 0.49772 0.51135 0.43015 0.04535  -0.03257 0.08456  143 LEU A O   
985  C CB  . LEU A 136 ? 0.56740 0.59787 0.49980 0.02370  -0.03598 0.03697  143 LEU A CB  
986  C CG  . LEU A 136 ? 0.56025 0.60965 0.49421 0.01693  -0.04140 0.01919  143 LEU A CG  
987  C CD1 . LEU A 136 ? 0.50885 0.55715 0.43515 0.00832  -0.03891 0.00423  143 LEU A CD1 
988  C CD2 . LEU A 136 ? 0.48223 0.56699 0.41240 0.02227  -0.04940 0.02294  143 LEU A CD2 
989  N N   . VAL A 137 ? 0.50984 0.48245 0.45602 0.03274  -0.02477 0.06604  144 VAL A N   
990  C CA  . VAL A 137 ? 0.54645 0.50041 0.49234 0.03245  -0.01881 0.08092  144 VAL A CA  
991  C C   . VAL A 137 ? 0.61967 0.54293 0.57964 0.03484  -0.01588 0.08292  144 VAL A C   
992  O O   . VAL A 137 ? 0.65637 0.56024 0.61932 0.03455  -0.01117 0.09649  144 VAL A O   
993  C CB  . VAL A 137 ? 0.58218 0.53571 0.52289 0.02159  -0.01340 0.07564  144 VAL A CB  
994  C CG1 . VAL A 137 ? 0.53342 0.51693 0.45902 0.02078  -0.01475 0.07356  144 VAL A CG1 
995  C CG2 . VAL A 137 ? 0.50773 0.45055 0.45642 0.01475  -0.01294 0.05746  144 VAL A CG2 
996  N N   . ALA A 138 ? 0.53665 0.45511 0.50548 0.03629  -0.01783 0.06938  145 ALA A N   
997  C CA  . ALA A 138 ? 0.58823 0.48008 0.56922 0.03801  -0.01467 0.06583  145 ALA A CA  
998  C C   . ALA A 138 ? 0.57711 0.47000 0.56658 0.05255  -0.01721 0.06862  145 ALA A C   
999  O O   . ALA A 138 ? 0.56915 0.48734 0.55818 0.05740  -0.02195 0.06443  145 ALA A O   
1000 C CB  . ALA A 138 ? 0.54894 0.43738 0.53275 0.02889  -0.01376 0.04742  145 ALA A CB  
1001 N N   . GLU A 139 ? 0.58050 0.44611 0.57971 0.05944  -0.01376 0.07519  146 GLU A N   
1002 C CA  . GLU A 139 ? 0.65788 0.52025 0.66899 0.07506  -0.01469 0.07372  146 GLU A CA  
1003 C C   . GLU A 139 ? 0.60763 0.46438 0.62610 0.07248  -0.01224 0.05167  146 GLU A C   
1004 O O   . GLU A 139 ? 0.63074 0.49648 0.65815 0.08459  -0.01275 0.04548  146 GLU A O   
1005 C CB  . GLU A 139 ? 0.60857 0.44000 0.62846 0.08563  -0.01154 0.09031  146 GLU A CB  
1006 C CG  . GLU A 139 ? 0.72734 0.52118 0.75162 0.07349  -0.00499 0.08779  146 GLU A CG  
1007 C CD  . GLU A 139 ? 0.96289 0.72224 0.99664 0.08186  -0.00128 0.10758  146 GLU A CD  
1008 O OE1 . GLU A 139 ? 0.94704 0.71592 0.97812 0.09508  -0.00416 0.13009  146 GLU A OE1 
1009 O OE2 . GLU A 139 ? 0.96893 0.69179 1.01324 0.07492  0.00427  0.10089  146 GLU A OE2 
1010 N N   . LYS A 140 ? 0.57448 0.42119 0.58924 0.05761  -0.00961 0.04010  147 LYS A N   
1011 C CA  . LYS A 140 ? 0.57033 0.41557 0.58854 0.05381  -0.00757 0.02005  147 LYS A CA  
1012 C C   . LYS A 140 ? 0.57107 0.42160 0.58058 0.03733  -0.00792 0.01301  147 LYS A C   
1013 O O   . LYS A 140 ? 0.58570 0.42805 0.59186 0.02891  -0.00729 0.02038  147 LYS A O   
1014 C CB  . LYS A 140 ? 0.57862 0.39257 0.60814 0.05852  -0.00297 0.01240  147 LYS A CB  
1015 C CG  . LYS A 140 ? 0.61672 0.42985 0.64668 0.05164  -0.00069 -0.01034 147 LYS A CG  
1016 C CD  . LYS A 140 ? 0.65468 0.43882 0.69717 0.05926  0.00386  -0.02181 147 LYS A CD  
1017 C CE  . LYS A 140 ? 0.62624 0.38781 0.67006 0.04371  0.00587  -0.03339 147 LYS A CE  
1018 N NZ  . LYS A 140 ? 0.76035 0.48443 0.81871 0.04941  0.01056  -0.04275 147 LYS A NZ  
1019 N N   . VAL A 141 ? 0.56004 0.42673 0.56653 0.03353  -0.00859 0.00029  148 VAL A N   
1020 C CA  . VAL A 141 ? 0.51557 0.38959 0.51467 0.02083  -0.00970 -0.00465 148 VAL A CA  
1021 C C   . VAL A 141 ? 0.56195 0.43642 0.56137 0.01743  -0.00819 -0.02006 148 VAL A C   
1022 O O   . VAL A 141 ? 0.57000 0.45566 0.57060 0.02339  -0.00686 -0.02756 148 VAL A O   
1023 C CB  . VAL A 141 ? 0.53565 0.43192 0.52829 0.01839  -0.01276 -0.00115 148 VAL A CB  
1024 C CG1 . VAL A 141 ? 0.47836 0.37852 0.46539 0.00814  -0.01369 -0.00484 148 VAL A CG1 
1025 C CG2 . VAL A 141 ? 0.54657 0.44709 0.53680 0.02122  -0.01479 0.01087  148 VAL A CG2 
1026 N N   . THR A 142 ? 0.55563 0.42284 0.55397 0.00772  -0.00837 -0.02515 149 THR A N   
1027 C CA  . THR A 142 ? 0.52887 0.40256 0.52475 0.00276  -0.00839 -0.04003 149 THR A CA  
1028 C C   . THR A 142 ? 0.53858 0.42935 0.52685 -0.00530 -0.01187 -0.03721 149 THR A C   
1029 O O   . THR A 142 ? 0.56860 0.45713 0.55770 -0.01001 -0.01336 -0.02921 149 THR A O   
1030 C CB  . THR A 142 ? 0.59880 0.45239 0.60199 -0.00231 -0.00678 -0.05061 149 THR A CB  
1031 O OG1 . THR A 142 ? 0.65933 0.49043 0.67171 0.00683  -0.00315 -0.05049 149 THR A OG1 
1032 C CG2 . THR A 142 ? 0.58078 0.44626 0.57982 -0.00686 -0.00746 -0.06945 149 THR A CG2 
1033 N N   . VAL A 143 ? 0.51399 0.42299 0.49524 -0.00584 -0.01264 -0.04269 150 VAL A N   
1034 C CA  . VAL A 143 ? 0.49713 0.42143 0.47154 -0.01107 -0.01605 -0.03721 150 VAL A CA  
1035 C C   . VAL A 143 ? 0.54734 0.48614 0.51585 -0.01505 -0.01765 -0.04827 150 VAL A C   
1036 O O   . VAL A 143 ? 0.55700 0.50849 0.51961 -0.01249 -0.01546 -0.05511 150 VAL A O   
1037 C CB  . VAL A 143 ? 0.54489 0.47970 0.51512 -0.00878 -0.01571 -0.02768 150 VAL A CB  
1038 C CG1 . VAL A 143 ? 0.43216 0.37670 0.39701 -0.01291 -0.01890 -0.02014 150 VAL A CG1 
1039 C CG2 . VAL A 143 ? 0.51744 0.44274 0.49265 -0.00558 -0.01520 -0.01990 150 VAL A CG2 
1040 N N   . ILE A 144 ? 0.57072 0.51243 0.54084 -0.02139 -0.02144 -0.05058 151 ILE A N   
1041 C CA  . ILE A 144 ? 0.53215 0.49479 0.49553 -0.02591 -0.02515 -0.05974 151 ILE A CA  
1042 C C   . ILE A 144 ? 0.57588 0.55601 0.53311 -0.02529 -0.02940 -0.04526 151 ILE A C   
1043 O O   . ILE A 144 ? 0.59902 0.57363 0.56256 -0.02505 -0.03121 -0.03503 151 ILE A O   
1044 C CB  . ILE A 144 ? 0.59322 0.55234 0.56488 -0.03421 -0.02760 -0.07223 151 ILE A CB  
1045 C CG1 . ILE A 144 ? 0.55557 0.48527 0.53812 -0.03460 -0.02259 -0.07926 151 ILE A CG1 
1046 C CG2 . ILE A 144 ? 0.57072 0.55347 0.53447 -0.03890 -0.03126 -0.08843 151 ILE A CG2 
1047 C CD1 . ILE A 144 ? 0.58610 0.50907 0.56633 -0.02938 -0.01838 -0.09397 151 ILE A CD1 
1048 N N   . THR A 145 ? 0.52597 0.52723 0.47115 -0.02419 -0.03038 -0.04367 152 THR A N   
1049 C CA  . THR A 145 ? 0.57477 0.58863 0.51444 -0.02221 -0.03380 -0.02628 152 THR A CA  
1050 C C   . THR A 145 ? 0.56555 0.61037 0.49173 -0.02350 -0.03762 -0.02789 152 THR A C   
1051 O O   . THR A 145 ? 0.61482 0.67235 0.53271 -0.02518 -0.03527 -0.04197 152 THR A O   
1052 C CB  . THR A 145 ? 0.55001 0.55370 0.48868 -0.01911 -0.02932 -0.01276 152 THR A CB  
1053 O OG1 . THR A 145 ? 0.54251 0.54925 0.47959 -0.01725 -0.03236 0.00482  152 THR A OG1 
1054 C CG2 . THR A 145 ? 0.54487 0.56157 0.47460 -0.01925 -0.02431 -0.01667 152 THR A CG2 
1055 N N   . LYS A 146 ? 0.57334 0.63210 0.49724 -0.02144 -0.04354 -0.01343 153 LYS A N   
1056 C CA  . LYS A 146 ? 0.54796 0.64122 0.45779 -0.02157 -0.04890 -0.01079 153 LYS A CA  
1057 C C   . LYS A 146 ? 0.59182 0.68926 0.49804 -0.01555 -0.05134 0.01613  153 LYS A C   
1058 O O   . LYS A 146 ? 0.57745 0.66631 0.49478 -0.01092 -0.05533 0.02637  153 LYS A O   
1059 C CB  . LYS A 146 ? 0.55830 0.67141 0.47205 -0.02557 -0.05677 -0.02479 153 LYS A CB  
1060 C CG  . LYS A 146 ? 0.54318 0.69833 0.44246 -0.02472 -0.06475 -0.02019 153 LYS A CG  
1061 C CD  . LYS A 146 ? 0.55876 0.73514 0.43845 -0.02749 -0.06136 -0.03117 153 LYS A CD  
1062 C CE  . LYS A 146 ? 0.61107 0.83596 0.47473 -0.02836 -0.07051 -0.03238 153 LYS A CE  
1063 N NZ  . LYS A 146 ? 0.53509 0.77691 0.38952 -0.02023 -0.07462 0.00007  153 LYS A NZ  
1064 N N   . HIS A 147 ? 0.59200 0.70233 0.48377 -0.01533 -0.04818 0.02784  154 HIS A N   
1065 C CA  . HIS A 147 ? 0.54073 0.65359 0.42797 -0.01055 -0.04971 0.05602  154 HIS A CA  
1066 C C   . HIS A 147 ? 0.60050 0.75472 0.47134 -0.00834 -0.05695 0.06400  154 HIS A C   
1067 O O   . HIS A 147 ? 0.68499 0.86816 0.54336 -0.01264 -0.05810 0.04637  154 HIS A O   
1068 C CB  . HIS A 147 ? 0.60281 0.70322 0.48610 -0.01394 -0.04045 0.06736  154 HIS A CB  
1069 C CG  . HIS A 147 ? 0.63903 0.72957 0.52239 -0.01100 -0.04030 0.09725  154 HIS A CG  
1070 N ND1 . HIS A 147 ? 0.63593 0.75267 0.50363 -0.00938 -0.04233 0.11821  154 HIS A ND1 
1071 C CD2 . HIS A 147 ? 0.61330 0.66908 0.51071 -0.00956 -0.03804 0.10965  154 HIS A CD2 
1072 C CE1 . HIS A 147 ? 0.59950 0.69417 0.47312 -0.00686 -0.04106 0.14444  154 HIS A CE1 
1073 N NE2 . HIS A 147 ? 0.58221 0.63883 0.47440 -0.00721 -0.03843 0.13784  154 HIS A NE2 
1074 N N   . ASN A 148 ? 0.60351 0.76100 0.47451 -0.00075 -0.06211 0.09033  155 ASN A N   
1075 C CA  . ASN A 148 ? 0.63112 0.83174 0.48664 0.00341  -0.07079 0.10182  155 ASN A CA  
1076 C C   . ASN A 148 ? 0.62412 0.85505 0.45500 -0.00198 -0.06627 0.10435  155 ASN A C   
1077 O O   . ASN A 148 ? 0.57866 0.85399 0.39279 -0.00244 -0.07267 0.09800  155 ASN A O   
1078 C CB  . ASN A 148 ? 0.63964 0.83379 0.50085 0.01507  -0.07598 0.13461  155 ASN A CB  
1079 C CG  . ASN A 148 ? 0.64722 0.83728 0.52858 0.02347  -0.08410 0.13041  155 ASN A CG  
1080 O OD1 . ASN A 148 ? 0.66589 0.87135 0.55313 0.01917  -0.08826 0.10566  155 ASN A OD1 
1081 N ND2 . ASN A 148 ? 0.60227 0.77189 0.49582 0.03539  -0.08581 0.15445  155 ASN A ND2 
1082 N N   . ASP A 149 ? 0.65815 0.87020 0.48667 -0.00672 -0.05518 0.11213  156 ASP A N   
1083 C CA  . ASP A 149 ? 0.65768 0.90038 0.46397 -0.01154 -0.04882 0.11949  156 ASP A CA  
1084 C C   . ASP A 149 ? 0.63768 0.89077 0.43902 -0.01850 -0.04123 0.08739  156 ASP A C   
1085 O O   . ASP A 149 ? 0.73269 1.00634 0.52000 -0.02280 -0.03246 0.09066  156 ASP A O   
1086 C CB  . ASP A 149 ? 0.71592 0.93647 0.52436 -0.01362 -0.04052 0.15060  156 ASP A CB  
1087 C CG  . ASP A 149 ? 0.77143 0.97779 0.58532 -0.00502 -0.04714 0.18384  156 ASP A CG  
1088 O OD1 . ASP A 149 ? 0.76886 0.99838 0.57844 0.00367  -0.05847 0.18727  156 ASP A OD1 
1089 O OD2 . ASP A 149 ? 0.79118 0.96331 0.61546 -0.00671 -0.04122 0.20561  156 ASP A OD2 
1090 N N   . ASP A 150 ? 0.62096 0.86074 0.43455 -0.01923 -0.04370 0.05734  157 ASP A N   
1091 C CA  . ASP A 150 ? 0.58907 0.83033 0.40215 -0.02343 -0.03612 0.02732  157 ASP A CA  
1092 C C   . ASP A 150 ? 0.62849 0.86787 0.44916 -0.02447 -0.04263 -0.00328 157 ASP A C   
1093 O O   . ASP A 150 ? 0.61963 0.85998 0.44665 -0.02320 -0.05256 -0.00076 157 ASP A O   
1094 C CB  . ASP A 150 ? 0.56406 0.76864 0.39342 -0.02477 -0.02654 0.02884  157 ASP A CB  
1095 C CG  . ASP A 150 ? 0.64601 0.86477 0.47014 -0.02679 -0.01607 0.01093  157 ASP A CG  
1096 O OD1 . ASP A 150 ? 0.64833 0.89649 0.45936 -0.02669 -0.01605 -0.01099 157 ASP A OD1 
1097 O OD2 . ASP A 150 ? 0.64445 0.84709 0.47862 -0.02823 -0.00790 0.01728  157 ASP A OD2 
1098 N N   . GLU A 151 ? 0.64347 0.88017 0.46548 -0.02682 -0.03647 -0.03217 158 GLU A N   
1099 C CA  . GLU A 151 ? 0.65485 0.88283 0.48646 -0.02977 -0.04061 -0.06252 158 GLU A CA  
1100 C C   . GLU A 151 ? 0.61784 0.79808 0.47399 -0.02920 -0.03910 -0.06300 158 GLU A C   
1101 O O   . GLU A 151 ? 0.65509 0.81199 0.51959 -0.02623 -0.03560 -0.04271 158 GLU A O   
1102 C CB  . GLU A 151 ? 0.64829 0.89138 0.47123 -0.03107 -0.03409 -0.09381 158 GLU A CB  
1103 C CG  . GLU A 151 ? 0.80945 1.10505 0.60522 -0.03165 -0.03402 -0.09608 158 GLU A CG  
1104 C CD  . GLU A 151 ? 0.97105 1.30041 0.75539 -0.03469 -0.04720 -0.09246 158 GLU A CD  
1105 O OE1 . GLU A 151 ? 1.09090 1.41277 0.88679 -0.03933 -0.05506 -0.11166 158 GLU A OE1 
1106 O OE2 . GLU A 151 ? 0.96580 1.33115 0.73043 -0.03272 -0.04980 -0.06927 158 GLU A OE2 
1107 N N   . GLN A 152 ? 0.56921 0.73584 0.43681 -0.03313 -0.04164 -0.08672 159 GLN A N   
1108 C CA  . GLN A 152 ? 0.59637 0.72082 0.48525 -0.03307 -0.03923 -0.08815 159 GLN A CA  
1109 C C   . GLN A 152 ? 0.56075 0.66448 0.45441 -0.02950 -0.02938 -0.10087 159 GLN A C   
1110 O O   . GLN A 152 ? 0.62313 0.73883 0.51018 -0.02938 -0.02575 -0.12335 159 GLN A O   
1111 C CB  . GLN A 152 ? 0.58103 0.69999 0.48182 -0.04034 -0.04554 -0.10481 159 GLN A CB  
1112 C CG  . GLN A 152 ? 0.58251 0.66490 0.50371 -0.04104 -0.04429 -0.09815 159 GLN A CG  
1113 C CD  . GLN A 152 ? 0.68208 0.76901 0.61531 -0.04967 -0.05128 -0.10617 159 GLN A CD  
1114 O OE1 . GLN A 152 ? 0.70312 0.81612 0.63480 -0.05015 -0.05909 -0.09613 159 GLN A OE1 
1115 N NE2 . GLN A 152 ? 0.65142 0.71382 0.59846 -0.05650 -0.04833 -0.12329 159 GLN A NE2 
1116 N N   . TYR A 153 ? 0.52526 0.60029 0.43087 -0.02557 -0.02526 -0.08741 160 TYR A N   
1117 C CA  . TYR A 153 ? 0.58198 0.64163 0.49376 -0.01990 -0.01680 -0.09455 160 TYR A CA  
1118 C C   . TYR A 153 ? 0.58909 0.61160 0.51885 -0.01825 -0.01611 -0.09258 160 TYR A C   
1119 O O   . TYR A 153 ? 0.53914 0.54941 0.47517 -0.02110 -0.02046 -0.07971 160 TYR A O   
1120 C CB  . TYR A 153 ? 0.52558 0.59843 0.43138 -0.01649 -0.01160 -0.07725 160 TYR A CB  
1121 C CG  . TYR A 153 ? 0.63479 0.74613 0.52233 -0.01717 -0.00881 -0.08039 160 TYR A CG  
1122 C CD1 . TYR A 153 ? 0.60480 0.73854 0.47914 -0.02057 -0.01204 -0.05982 160 TYR A CD1 
1123 C CD2 . TYR A 153 ? 0.60360 0.72962 0.48687 -0.01349 -0.00248 -0.10357 160 TYR A CD2 
1124 C CE1 . TYR A 153 ? 0.66134 0.83389 0.51667 -0.02151 -0.00906 -0.05984 160 TYR A CE1 
1125 C CE2 . TYR A 153 ? 0.60989 0.77627 0.47441 -0.01413 0.00103  -0.10733 160 TYR A CE2 
1126 C CZ  . TYR A 153 ? 0.70763 0.89864 0.55715 -0.01878 -0.00231 -0.08427 160 TYR A CZ  
1127 O OH  . TYR A 153 ? 0.79558 1.03031 0.62419 -0.01972 0.00162  -0.08524 160 TYR A OH  
1128 N N   . ALA A 154 ? 0.58847 0.59530 0.52637 -0.01234 -0.01023 -0.10487 161 ALA A N   
1129 C CA  . ALA A 154 ? 0.57343 0.54679 0.52701 -0.00918 -0.00899 -0.10165 161 ALA A CA  
1130 C C   . ALA A 154 ? 0.54044 0.51208 0.49873 0.00015  -0.00382 -0.09309 161 ALA A C   
1131 O O   . ALA A 154 ? 0.59077 0.57174 0.54945 0.00740  0.00169  -0.10473 161 ALA A O   
1132 C CB  . ALA A 154 ? 0.54428 0.49647 0.50695 -0.00977 -0.00752 -0.12281 161 ALA A CB  
1133 N N   . TRP A 155 ? 0.50018 0.46336 0.46275 0.00006  -0.00562 -0.07446 162 TRP A N   
1134 C CA  . TRP A 155 ? 0.50740 0.47135 0.47629 0.00713  -0.00252 -0.06588 162 TRP A CA  
1135 C C   . TRP A 155 ? 0.58480 0.52225 0.56566 0.01289  -0.00273 -0.06363 162 TRP A C   
1136 O O   . TRP A 155 ? 0.59774 0.51715 0.58070 0.00806  -0.00570 -0.05978 162 TRP A O   
1137 C CB  . TRP A 155 ? 0.51493 0.48898 0.47993 0.00189  -0.00473 -0.04839 162 TRP A CB  
1138 C CG  . TRP A 155 ? 0.45368 0.43437 0.42558 0.00571  -0.00261 -0.04074 162 TRP A CG  
1139 C CD1 . TRP A 155 ? 0.50276 0.50757 0.47404 0.00495  0.00124  -0.03840 162 TRP A CD1 
1140 C CD2 . TRP A 155 ? 0.47143 0.43931 0.45203 0.00947  -0.00456 -0.03399 162 TRP A CD2 
1141 N NE1 . TRP A 155 ? 0.46170 0.46991 0.44286 0.00739  0.00123  -0.03225 162 TRP A NE1 
1142 C CE2 . TRP A 155 ? 0.50480 0.49132 0.49061 0.01088  -0.00282 -0.02965 162 TRP A CE2 
1143 C CE3 . TRP A 155 ? 0.53863 0.48473 0.52276 0.01111  -0.00743 -0.03060 162 TRP A CE3 
1144 C CZ2 . TRP A 155 ? 0.53236 0.51800 0.52610 0.01446  -0.00522 -0.02359 162 TRP A CZ2 
1145 C CZ3 . TRP A 155 ? 0.50926 0.45380 0.49914 0.01540  -0.00895 -0.02281 162 TRP A CZ3 
1146 C CH2 . TRP A 155 ? 0.54778 0.51269 0.54206 0.01734  -0.00853 -0.02008 162 TRP A CH2 
1147 N N   . GLU A 156 ? 0.50238 0.44037 0.49163 0.02370  0.00067  -0.06471 163 GLU A N   
1148 C CA  . GLU A 156 ? 0.52591 0.44000 0.52606 0.03154  0.00048  -0.06006 163 GLU A CA  
1149 C C   . GLU A 156 ? 0.56272 0.49009 0.57083 0.04311  0.00174  -0.05355 163 GLU A C   
1150 O O   . GLU A 156 ? 0.57759 0.52746 0.58766 0.04851  0.00546  -0.06100 163 GLU A O   
1151 C CB  . GLU A 156 ? 0.67367 0.56420 0.68054 0.03575  0.00343  -0.07508 163 GLU A CB  
1152 C CG  . GLU A 156 ? 0.66402 0.52280 0.68125 0.04026  0.00308  -0.06581 163 GLU A CG  
1153 C CD  . GLU A 156 ? 0.75049 0.57954 0.77463 0.03761  0.00554  -0.07993 163 GLU A CD  
1154 O OE1 . GLU A 156 ? 0.80977 0.63055 0.84129 0.04769  0.00985  -0.09551 163 GLU A OE1 
1155 O OE2 . GLU A 156 ? 0.74511 0.55985 0.76878 0.02507  0.00356  -0.07682 163 GLU A OE2 
1156 N N   . SER A 157 ? 0.48262 0.40044 0.49542 0.04685  -0.00132 -0.03964 164 SER A N   
1157 C CA  . SER A 157 ? 0.58309 0.51669 0.60470 0.05856  -0.00188 -0.03263 164 SER A CA  
1158 C C   . SER A 157 ? 0.57485 0.49090 0.60043 0.06491  -0.00512 -0.01832 164 SER A C   
1159 O O   . SER A 157 ? 0.56461 0.47090 0.58275 0.05574  -0.00797 -0.00949 164 SER A O   
1160 C CB  . SER A 157 ? 0.53856 0.50276 0.55671 0.05108  -0.00402 -0.02746 164 SER A CB  
1161 O OG  . SER A 157 ? 0.53929 0.52513 0.56802 0.06132  -0.00520 -0.02268 164 SER A OG  
1162 N N   . SER A 158 ? 0.52982 0.44420 0.56727 0.08177  -0.00429 -0.01526 165 SER A N   
1163 C CA  . SER A 158 ? 0.55986 0.46720 0.60086 0.09077  -0.00804 0.00260  165 SER A CA  
1164 C C   . SER A 158 ? 0.50212 0.44673 0.54711 0.09782  -0.01271 0.01017  165 SER A C   
1165 O O   . SER A 158 ? 0.52727 0.47575 0.58010 0.11304  -0.01555 0.02239  165 SER A O   
1166 C CB  . SER A 158 ? 0.61814 0.49487 0.67123 0.10632  -0.00473 0.00441  165 SER A CB  
1167 O OG  . SER A 158 ? 0.63881 0.47933 0.68927 0.09653  -0.00147 -0.00025 165 SER A OG  
1168 N N   . ALA A 159 ? 0.49907 0.47186 0.53981 0.08656  -0.01378 0.00374  166 ALA A N   
1169 C CA  . ALA A 159 ? 0.53996 0.55259 0.58714 0.08913  -0.01781 0.00665  166 ALA A CA  
1170 C C   . ALA A 159 ? 0.54823 0.57679 0.61269 0.10850  -0.01512 0.00289  166 ALA A C   
1171 O O   . ALA A 159 ? 0.61156 0.62630 0.68058 0.11460  -0.00848 -0.00854 166 ALA A O   
1172 C CB  . ALA A 159 ? 0.48091 0.50164 0.52250 0.08821  -0.02522 0.02056  166 ALA A CB  
1173 N N   . GLY A 160 ? 0.52469 0.58499 0.59961 0.11919  -0.02030 0.01094  167 GLY A N   
1174 C CA  . GLY A 160 ? 0.48563 0.56699 0.57986 0.13959  -0.01782 0.00745  167 GLY A CA  
1175 C C   . GLY A 160 ? 0.47415 0.58801 0.57618 0.13436  -0.01187 -0.00761 167 GLY A C   
1176 O O   . GLY A 160 ? 0.52806 0.65946 0.64661 0.15189  -0.00741 -0.01415 167 GLY A O   
1177 N N   . GLY A 161 ? 0.46107 0.58349 0.55231 0.11145  -0.01087 -0.01252 168 GLY A N   
1178 C CA  . GLY A 161 ? 0.42189 0.57950 0.51972 0.10332  -0.00513 -0.02230 168 GLY A CA  
1179 C C   . GLY A 161 ? 0.50021 0.64381 0.58946 0.09774  0.00409  -0.03467 168 GLY A C   
1180 O O   . GLY A 161 ? 0.50463 0.67939 0.59718 0.09002  0.01003  -0.04086 168 GLY A O   
1181 N N   . SER A 162 ? 0.48574 0.58703 0.56401 0.10008  0.00549  -0.03824 169 SER A N   
1182 C CA  . SER A 162 ? 0.48959 0.58215 0.55931 0.09601  0.01320  -0.05223 169 SER A CA  
1183 C C   . SER A 162 ? 0.47170 0.52432 0.52429 0.08435  0.01082  -0.05149 169 SER A C   
1184 O O   . SER A 162 ? 0.49434 0.51919 0.54484 0.08540  0.00541  -0.04253 169 SER A O   
1185 C CB  . SER A 162 ? 0.46548 0.55630 0.54702 0.11743  0.01986  -0.06642 169 SER A CB  
1186 O OG  . SER A 162 ? 0.50044 0.54858 0.58430 0.12908  0.01729  -0.06482 169 SER A OG  
1187 N N   . PHE A 163 ? 0.50679 0.56121 0.54735 0.07339  0.01508  -0.06027 170 PHE A N   
1188 C CA  . PHE A 163 ? 0.50964 0.53352 0.53592 0.06351  0.01319  -0.06252 170 PHE A CA  
1189 C C   . PHE A 163 ? 0.51465 0.54335 0.53436 0.06424  0.01952  -0.08053 170 PHE A C   
1190 O O   . PHE A 163 ? 0.53008 0.58919 0.55305 0.06949  0.02604  -0.08927 170 PHE A O   
1191 C CB  . PHE A 163 ? 0.49585 0.52080 0.51055 0.04547  0.00880  -0.05063 170 PHE A CB  
1192 C CG  . PHE A 163 ? 0.54729 0.60311 0.55703 0.03523  0.01256  -0.04931 170 PHE A CG  
1193 C CD1 . PHE A 163 ? 0.51358 0.59736 0.53273 0.03261  0.01338  -0.04247 170 PHE A CD1 
1194 C CD2 . PHE A 163 ? 0.54468 0.60360 0.54066 0.02718  0.01510  -0.05362 170 PHE A CD2 
1195 C CE1 . PHE A 163 ? 0.51875 0.62927 0.53464 0.02093  0.01793  -0.03888 170 PHE A CE1 
1196 C CE2 . PHE A 163 ? 0.52025 0.60724 0.51072 0.01756  0.01918  -0.04836 170 PHE A CE2 
1197 C CZ  . PHE A 163 ? 0.51025 0.62112 0.51116 0.01380  0.02120  -0.04038 170 PHE A CZ  
1198 N N   . THR A 164 ? 0.51109 0.51357 0.52161 0.05834  0.01769  -0.08706 171 THR A N   
1199 C CA  . THR A 164 ? 0.54279 0.55017 0.54497 0.05730  0.02212  -0.10665 171 THR A CA  
1200 C C   . THR A 164 ? 0.54534 0.55498 0.53037 0.04071  0.01818  -0.10321 171 THR A C   
1201 O O   . THR A 164 ? 0.51681 0.51155 0.49925 0.03211  0.01211  -0.08884 171 THR A O   
1202 C CB  . THR A 164 ? 0.51194 0.48671 0.52245 0.06694  0.02359  -0.12322 171 THR A CB  
1203 O OG1 . THR A 164 ? 0.60156 0.54199 0.61206 0.05920  0.01754  -0.11434 171 THR A OG1 
1204 C CG2 . THR A 164 ? 0.51539 0.48660 0.54458 0.08699  0.02744  -0.12505 171 THR A CG2 
1205 N N   . VAL A 165 ? 0.55268 0.58454 0.52594 0.03761  0.02181  -0.11676 172 VAL A N   
1206 C CA  . VAL A 165 ? 0.57567 0.61574 0.53208 0.02437  0.01769  -0.11441 172 VAL A CA  
1207 C C   . VAL A 165 ? 0.56199 0.60883 0.51028 0.02511  0.01991  -0.14007 172 VAL A C   
1208 O O   . VAL A 165 ? 0.52106 0.58621 0.46970 0.03380  0.02734  -0.15698 172 VAL A O   
1209 C CB  . VAL A 165 ? 0.59277 0.66513 0.53859 0.01681  0.01909  -0.09778 172 VAL A CB  
1210 C CG1 . VAL A 165 ? 0.53165 0.61901 0.45885 0.00713  0.01570  -0.09687 172 VAL A CG1 
1211 C CG2 . VAL A 165 ? 0.44559 0.50626 0.39873 0.01237  0.01523  -0.07517 172 VAL A CG2 
1212 N N   . ARG A 166 ? 0.60396 0.63868 0.54601 0.01599  0.01355  -0.14492 173 ARG A N   
1213 C CA  . ARG A 166 ? 0.63986 0.68371 0.57342 0.01365  0.01400  -0.17147 173 ARG A CA  
1214 C C   . ARG A 166 ? 0.65545 0.71123 0.57581 0.00041  0.00553  -0.16648 173 ARG A C   
1215 O O   . ARG A 166 ? 0.59138 0.63706 0.51399 -0.00521 -0.00040 -0.14503 173 ARG A O   
1216 C CB  . ARG A 166 ? 0.64715 0.65383 0.59635 0.01858  0.01540  -0.19279 173 ARG A CB  
1217 C CG  . ARG A 166 ? 0.72534 0.69850 0.68335 0.00920  0.00830  -0.18522 173 ARG A CG  
1218 C CD  . ARG A 166 ? 0.80161 0.73217 0.77829 0.01451  0.01123  -0.19883 173 ARG A CD  
1219 N NE  . ARG A 166 ? 1.03089 0.94054 1.02119 0.02651  0.01410  -0.18058 173 ARG A NE  
1220 C CZ  . ARG A 166 ? 1.04229 0.91633 1.04959 0.03630  0.01778  -0.18622 173 ARG A CZ  
1221 N NH1 . ARG A 166 ? 1.00794 0.85718 1.02269 0.03458  0.01994  -0.21093 173 ARG A NH1 
1222 N NH2 . ARG A 166 ? 0.92092 0.78388 0.93856 0.04810  0.01904  -0.16661 173 ARG A NH2 
1223 N N   . THR A 167 ? 0.62511 0.70580 0.53188 -0.00349 0.00489  -0.18769 174 THR A N   
1224 C CA  . THR A 167 ? 0.61717 0.71214 0.51360 -0.01510 -0.00448 -0.18742 174 THR A CA  
1225 C C   . THR A 167 ? 0.70060 0.76004 0.61339 -0.02162 -0.00952 -0.19734 174 THR A C   
1226 O O   . THR A 167 ? 0.81289 0.84909 0.73636 -0.02007 -0.00590 -0.22162 174 THR A O   
1227 C CB  . THR A 167 ? 0.70355 0.83991 0.57997 -0.01770 -0.00431 -0.20985 174 THR A CB  
1228 O OG1 . THR A 167 ? 0.70389 0.87914 0.56227 -0.01532 -0.00117 -0.19165 174 THR A OG1 
1229 C CG2 . THR A 167 ? 0.73542 0.88432 0.60604 -0.02962 -0.01527 -0.21795 174 THR A CG2 
1230 N N   . ASP A 168 ? 0.72029 0.77487 0.63661 -0.02879 -0.01706 -0.17820 175 ASP A N   
1231 C CA  . ASP A 168 ? 0.78047 0.80477 0.71378 -0.03650 -0.02078 -0.18326 175 ASP A CA  
1232 C C   . ASP A 168 ? 0.89945 0.94079 0.82984 -0.04838 -0.02687 -0.20835 175 ASP A C   
1233 O O   . ASP A 168 ? 0.86105 0.94246 0.77623 -0.05256 -0.03346 -0.20725 175 ASP A O   
1234 C CB  . ASP A 168 ? 0.68417 0.70138 0.62358 -0.03886 -0.02543 -0.15493 175 ASP A CB  
1235 C CG  . ASP A 168 ? 0.83460 0.82324 0.79235 -0.04704 -0.02730 -0.15731 175 ASP A CG  
1236 O OD1 . ASP A 168 ? 0.92147 0.87659 0.89162 -0.04528 -0.02177 -0.16603 175 ASP A OD1 
1237 O OD2 . ASP A 168 ? 0.90515 0.90599 0.86592 -0.05479 -0.03388 -0.14928 175 ASP A OD2 
1238 N N   . THR A 169 ? 1.00891 1.02006 0.95467 -0.05422 -0.02498 -0.23040 176 THR A N   
1239 C CA  . THR A 169 ? 1.04947 1.07217 0.99693 -0.06852 -0.03066 -0.25839 176 THR A CA  
1240 C C   . THR A 169 ? 1.04466 1.05083 1.01084 -0.08248 -0.03596 -0.25202 176 THR A C   
1241 O O   . THR A 169 ? 1.04931 1.05941 1.02302 -0.09733 -0.04030 -0.27605 176 THR A O   
1242 C CB  . THR A 169 ? 1.07055 1.07120 1.02334 -0.06722 -0.02390 -0.29343 176 THR A CB  
1243 O OG1 . THR A 169 ? 1.06706 1.01779 1.03730 -0.05779 -0.01548 -0.28528 176 THR A OG1 
1244 C CG2 . THR A 169 ? 0.91622 0.95261 0.84721 -0.05758 -0.02029 -0.30886 176 THR A CG2 
1245 N N   . GLY A 170 ? 0.97861 0.96931 0.95298 -0.07905 -0.03534 -0.22170 177 GLY A N   
1246 C CA  . GLY A 170 ? 0.97959 0.95851 0.97190 -0.09135 -0.03856 -0.21342 177 GLY A CA  
1247 C C   . GLY A 170 ? 0.96965 0.99347 0.95809 -0.09969 -0.04902 -0.20902 177 GLY A C   
1248 O O   . GLY A 170 ? 0.92113 0.98453 0.89369 -0.09974 -0.05516 -0.21940 177 GLY A O   
1249 N N   . GLU A 171 ? 0.96769 0.98806 0.97113 -0.10580 -0.05087 -0.19252 178 GLU A N   
1250 C CA  . GLU A 171 ? 0.92800 0.99159 0.93262 -0.11154 -0.06069 -0.18611 178 GLU A CA  
1251 C C   . GLU A 171 ? 0.84746 0.93845 0.83337 -0.09603 -0.06424 -0.16475 178 GLU A C   
1252 O O   . GLU A 171 ? 0.77630 0.84661 0.75870 -0.08391 -0.05857 -0.14386 178 GLU A O   
1253 C CB  . GLU A 171 ? 0.92468 0.97842 0.95101 -0.11916 -0.05954 -0.17184 178 GLU A CB  
1254 C CG  . GLU A 171 ? 0.94838 1.04863 0.98208 -0.12482 -0.06924 -0.16659 178 GLU A CG  
1255 C CD  . GLU A 171 ? 1.11472 1.24345 1.15690 -0.14369 -0.07701 -0.19426 178 GLU A CD  
1256 O OE1 . GLU A 171 ? 1.05141 1.16340 1.11493 -0.16125 -0.07404 -0.20565 178 GLU A OE1 
1257 O OE2 . GLU A 171 ? 1.04390 1.21391 1.07179 -0.14207 -0.08627 -0.20401 178 GLU A OE2 
1258 N N   . PRO A 172 ? 0.79497 0.93217 0.76863 -0.09624 -0.07359 -0.16848 179 PRO A N   
1259 C CA  . PRO A 172 ? 0.74689 0.90746 0.70453 -0.08185 -0.07683 -0.14386 179 PRO A CA  
1260 C C   . PRO A 172 ? 0.74031 0.89429 0.71047 -0.07520 -0.07712 -0.11727 179 PRO A C   
1261 O O   . PRO A 172 ? 0.75783 0.91978 0.74627 -0.08257 -0.08044 -0.11804 179 PRO A O   
1262 C CB  . PRO A 172 ? 0.78239 0.99720 0.72809 -0.08560 -0.08830 -0.15341 179 PRO A CB  
1263 C CG  . PRO A 172 ? 0.74101 0.95621 0.68866 -0.10028 -0.08842 -0.18969 179 PRO A CG  
1264 C CD  . PRO A 172 ? 0.75493 0.92487 0.72717 -0.10970 -0.08147 -0.19659 179 PRO A CD  
1265 N N   . MET A 173 ? 0.72998 0.87086 0.69106 -0.06168 -0.07306 -0.09504 180 MET A N   
1266 C CA  . MET A 173 ? 0.70424 0.83205 0.67583 -0.05367 -0.07139 -0.07252 180 MET A CA  
1267 C C   . MET A 173 ? 0.69483 0.85316 0.66248 -0.04352 -0.07914 -0.05296 180 MET A C   
1268 O O   . MET A 173 ? 0.75275 0.90603 0.73267 -0.03674 -0.07902 -0.03815 180 MET A O   
1269 C CB  . MET A 173 ? 0.67024 0.76086 0.63725 -0.04608 -0.06198 -0.06184 180 MET A CB  
1270 C CG  . MET A 173 ? 0.73238 0.78833 0.71281 -0.05057 -0.05457 -0.06671 180 MET A CG  
1271 S SD  . MET A 173 ? 0.82127 0.84449 0.79652 -0.04041 -0.04622 -0.05212 180 MET A SD  
1272 C CE  . MET A 173 ? 0.67395 0.71316 0.62920 -0.03487 -0.04694 -0.04969 180 MET A CE  
1273 N N   . GLY A 174 ? 0.66621 0.85615 0.61696 -0.04109 -0.08541 -0.05185 181 GLY A N   
1274 C CA  . GLY A 174 ? 0.66210 0.87845 0.60804 -0.02933 -0.09267 -0.02887 181 GLY A CA  
1275 C C   . GLY A 174 ? 0.62001 0.81190 0.55637 -0.01815 -0.08665 -0.00582 181 GLY A C   
1276 O O   . GLY A 174 ? 0.61012 0.81724 0.52784 -0.01435 -0.08781 0.00457  181 GLY A O   
1277 N N   . ARG A 175 ? 0.57710 0.73291 0.52605 -0.01411 -0.07992 0.00191  182 ARG A N   
1278 C CA  . ARG A 175 ? 0.59797 0.72634 0.54178 -0.00625 -0.07377 0.02042  182 ARG A CA  
1279 C C   . ARG A 175 ? 0.54689 0.63963 0.50575 -0.00557 -0.06686 0.01881  182 ARG A C   
1280 O O   . ARG A 175 ? 0.54356 0.63895 0.51803 -0.00415 -0.06861 0.01644  182 ARG A O   
1281 C CB  . ARG A 175 ? 0.51525 0.65710 0.45671 0.00603  -0.07940 0.04581  182 ARG A CB  
1282 C CG  . ARG A 175 ? 0.48976 0.60081 0.42740 0.01166  -0.07285 0.06491  182 ARG A CG  
1283 C CD  . ARG A 175 ? 0.54253 0.65254 0.48723 0.02563  -0.07721 0.08936  182 ARG A CD  
1284 N NE  . ARG A 175 ? 0.55521 0.65468 0.52106 0.03242  -0.07779 0.08542  182 ARG A NE  
1285 C CZ  . ARG A 175 ? 0.56069 0.68801 0.53797 0.04054  -0.08574 0.08775  182 ARG A CZ  
1286 N NH1 . ARG A 175 ? 0.56193 0.72979 0.53124 0.04323  -0.09534 0.09480  182 ARG A NH1 
1287 N NH2 . ARG A 175 ? 0.57239 0.69117 0.56964 0.04639  -0.08405 0.08267  182 ARG A NH2 
1288 N N   . GLY A 176 ? 0.50388 0.56839 0.45803 -0.00677 -0.05905 0.01985  183 GLY A N   
1289 C CA  . GLY A 176 ? 0.55478 0.58927 0.51985 -0.00566 -0.05308 0.01927  183 GLY A CA  
1290 C C   . GLY A 176 ? 0.56969 0.58588 0.53121 -0.01214 -0.04643 0.00780  183 GLY A C   
1291 O O   . GLY A 176 ? 0.55956 0.58296 0.51050 -0.01571 -0.04520 0.00185  183 GLY A O   
1292 N N   . THR A 177 ? 0.53086 0.52606 0.50140 -0.01234 -0.04204 0.00493  184 THR A N   
1293 C CA  . THR A 177 ? 0.56325 0.54084 0.53232 -0.01570 -0.03633 -0.00243 184 THR A CA  
1294 C C   . THR A 177 ? 0.52347 0.49173 0.50247 -0.01894 -0.03416 -0.00979 184 THR A C   
1295 O O   . THR A 177 ? 0.52807 0.49720 0.51539 -0.01721 -0.03446 -0.00608 184 THR A O   
1296 C CB  . THR A 177 ? 0.54265 0.50440 0.50998 -0.01254 -0.03267 0.00618  184 THR A CB  
1297 O OG1 . THR A 177 ? 0.56521 0.53480 0.52420 -0.01181 -0.03340 0.01518  184 THR A OG1 
1298 C CG2 . THR A 177 ? 0.54650 0.49611 0.51383 -0.01445 -0.02801 -0.00054 184 THR A CG2 
1299 N N   . LYS A 178 ? 0.53611 0.49575 0.51481 -0.02305 -0.03127 -0.01947 185 LYS A N   
1300 C CA  . LYS A 178 ? 0.52579 0.47303 0.51342 -0.02714 -0.02823 -0.02377 185 LYS A CA  
1301 C C   . LYS A 178 ? 0.56879 0.49742 0.55443 -0.02395 -0.02355 -0.02286 185 LYS A C   
1302 O O   . LYS A 178 ? 0.54427 0.46983 0.52620 -0.02275 -0.02233 -0.02954 185 LYS A O   
1303 C CB  . LYS A 178 ? 0.59371 0.54651 0.58616 -0.03551 -0.02989 -0.03658 185 LYS A CB  
1304 C CG  . LYS A 178 ? 0.60830 0.54623 0.61212 -0.04230 -0.02613 -0.03905 185 LYS A CG  
1305 C CD  . LYS A 178 ? 0.68091 0.63261 0.69435 -0.05353 -0.02931 -0.04931 185 LYS A CD  
1306 C CE  . LYS A 178 ? 0.74674 0.69444 0.75817 -0.05902 -0.03034 -0.06706 185 LYS A CE  
1307 N NZ  . LYS A 178 ? 0.79393 0.72446 0.81922 -0.07113 -0.02729 -0.07652 185 LYS A NZ  
1308 N N   . VAL A 179 ? 0.50021 0.42026 0.48832 -0.02157 -0.02105 -0.01518 186 VAL A N   
1309 C CA  . VAL A 179 ? 0.50587 0.41371 0.49225 -0.01742 -0.01799 -0.01217 186 VAL A CA  
1310 C C   . VAL A 179 ? 0.50839 0.40383 0.50108 -0.02006 -0.01482 -0.01032 186 VAL A C   
1311 O O   . VAL A 179 ? 0.50469 0.40263 0.50074 -0.02306 -0.01338 -0.00495 186 VAL A O   
1312 C CB  . VAL A 179 ? 0.51846 0.42871 0.50115 -0.01334 -0.01804 -0.00519 186 VAL A CB  
1313 C CG1 . VAL A 179 ? 0.50006 0.40468 0.48127 -0.00912 -0.01639 -0.00238 186 VAL A CG1 
1314 C CG2 . VAL A 179 ? 0.50209 0.42000 0.48071 -0.01252 -0.02040 -0.00471 186 VAL A CG2 
1315 N N   . ILE A 180 ? 0.57018 0.45226 0.56525 -0.01842 -0.01296 -0.01396 187 ILE A N   
1316 C CA  . ILE A 180 ? 0.54705 0.41142 0.54946 -0.02096 -0.00942 -0.01015 187 ILE A CA  
1317 C C   . ILE A 180 ? 0.56698 0.42384 0.56696 -0.01151 -0.00784 0.00015  187 ILE A C   
1318 O O   . ILE A 180 ? 0.51969 0.37421 0.51916 -0.00355 -0.00823 -0.00333 187 ILE A O   
1319 C CB  . ILE A 180 ? 0.59353 0.44417 0.60308 -0.02546 -0.00850 -0.02285 187 ILE A CB  
1320 C CG1 . ILE A 180 ? 0.54992 0.41710 0.55944 -0.03391 -0.01212 -0.03496 187 ILE A CG1 
1321 C CG2 . ILE A 180 ? 0.57553 0.40351 0.59541 -0.03098 -0.00424 -0.01715 187 ILE A CG2 
1322 C CD1 . ILE A 180 ? 0.59300 0.45315 0.60602 -0.03784 -0.01229 -0.05291 187 ILE A CD1 
1323 N N   . LEU A 181 ? 0.53055 0.38839 0.52901 -0.01183 -0.00609 0.01284  188 LEU A N   
1324 C CA  . LEU A 181 ? 0.50516 0.36192 0.49976 -0.00288 -0.00574 0.02464  188 LEU A CA  
1325 C C   . LEU A 181 ? 0.56575 0.40019 0.56736 -0.00226 -0.00187 0.03473  188 LEU A C   
1326 O O   . LEU A 181 ? 0.54496 0.37491 0.54897 -0.01025 0.00177  0.04327  188 LEU A O   
1327 C CB  . LEU A 181 ? 0.47869 0.35350 0.46474 -0.00312 -0.00618 0.03201  188 LEU A CB  
1328 C CG  . LEU A 181 ? 0.52075 0.41197 0.50182 -0.00419 -0.00922 0.02311  188 LEU A CG  
1329 C CD1 . LEU A 181 ? 0.59151 0.49698 0.56568 -0.00451 -0.00828 0.02748  188 LEU A CD1 
1330 C CD2 . LEU A 181 ? 0.47314 0.36946 0.45233 0.00159  -0.01268 0.01837  188 LEU A CD2 
1331 N N   . HIS A 182 ? 0.52935 0.34993 0.53567 0.00751  -0.00200 0.03461  189 HIS A N   
1332 C CA  . HIS A 182 ? 0.63003 0.42517 0.64398 0.01154  0.00157  0.04738  189 HIS A CA  
1333 C C   . HIS A 182 ? 0.60853 0.41561 0.61464 0.02062  0.00039  0.06789  189 HIS A C   
1334 O O   . HIS A 182 ? 0.61189 0.43158 0.61549 0.03333  -0.00346 0.06958  189 HIS A O   
1335 C CB  . HIS A 182 ? 0.57699 0.35220 0.60094 0.02094  0.00216  0.03718  189 HIS A CB  
1336 C CG  . HIS A 182 ? 0.66505 0.43603 0.69323 0.01254  0.00255  0.01419  189 HIS A CG  
1337 N ND1 . HIS A 182 ? 0.64261 0.38810 0.68116 0.00242  0.00593  0.00606  189 HIS A ND1 
1338 C CD2 . HIS A 182 ? 0.60819 0.39966 0.63097 0.01180  -0.00021 -0.00195 189 HIS A CD2 
1339 C CE1 . HIS A 182 ? 0.68208 0.43570 0.72025 -0.00345 0.00441  -0.01580 189 HIS A CE1 
1340 N NE2 . HIS A 182 ? 0.58670 0.36824 0.61457 0.00269  0.00094  -0.01940 189 HIS A NE2 
1341 N N   . LEU A 183 ? 0.56646 0.37442 0.56861 0.01362  0.00369  0.08323  190 LEU A N   
1342 C CA  . LEU A 183 ? 0.62866 0.45829 0.61844 0.01975  0.00223  0.10053  190 LEU A CA  
1343 C C   . LEU A 183 ? 0.61964 0.43740 0.61177 0.03396  0.00165  0.12029  190 LEU A C   
1344 O O   . LEU A 183 ? 0.68946 0.47417 0.69345 0.03516  0.00566  0.12799  190 LEU A O   
1345 C CB  . LEU A 183 ? 0.57414 0.41299 0.55808 0.00777  0.00736  0.11049  190 LEU A CB  
1346 C CG  . LEU A 183 ? 0.60243 0.46033 0.58358 -0.00257 0.00748  0.09382  190 LEU A CG  
1347 C CD1 . LEU A 183 ? 0.57169 0.44270 0.54912 -0.01236 0.01383  0.10429  190 LEU A CD1 
1348 C CD2 . LEU A 183 ? 0.57896 0.46126 0.55012 0.00412  0.00139  0.08243  190 LEU A CD2 
1349 N N   . LYS A 184 ? 0.65181 0.49706 0.63362 0.04497  -0.00375 0.12825  191 LYS A N   
1350 C CA  . LYS A 184 ? 0.67545 0.51801 0.65744 0.06012  -0.00546 0.15158  191 LYS A CA  
1351 C C   . LYS A 184 ? 0.65565 0.48462 0.63399 0.05453  0.00087  0.17692  191 LYS A C   
1352 O O   . LYS A 184 ? 0.64533 0.48196 0.61696 0.03955  0.00561  0.17631  191 LYS A O   
1353 C CB  . LYS A 184 ? 0.66205 0.54642 0.63184 0.07005  -0.01349 0.15449  191 LYS A CB  
1354 C CG  . LYS A 184 ? 0.62008 0.52263 0.59382 0.07225  -0.01906 0.13089  191 LYS A CG  
1355 C CD  . LYS A 184 ? 0.58473 0.53058 0.54788 0.07839  -0.02714 0.13274  191 LYS A CD  
1356 C CE  . LYS A 184 ? 0.71773 0.68127 0.68836 0.07953  -0.03198 0.11202  191 LYS A CE  
1357 N NZ  . LYS A 184 ? 0.71014 0.71612 0.67051 0.07755  -0.03933 0.10688  191 LYS A NZ  
1358 N N   . GLU A 185 ? 0.68950 0.49933 0.67345 0.06741  0.00142  0.20079  192 GLU A N   
1359 C CA  . GLU A 185 ? 0.81061 0.59994 0.79416 0.06135  0.00883  0.22842  192 GLU A CA  
1360 C C   . GLU A 185 ? 0.76239 0.59026 0.72438 0.05432  0.01006  0.24305  192 GLU A C   
1361 O O   . GLU A 185 ? 0.78978 0.60988 0.75020 0.04032  0.01853  0.25648  192 GLU A O   
1362 C CB  . GLU A 185 ? 0.77484 0.53829 0.76751 0.08013  0.00815  0.25471  192 GLU A CB  
1363 C CG  . GLU A 185 ? 0.89691 0.62644 0.89429 0.07294  0.01718  0.28482  192 GLU A CG  
1364 C CD  . GLU A 185 ? 1.06898 0.75998 1.08124 0.09256  0.01717  0.30770  192 GLU A CD  
1365 O OE1 . GLU A 185 ? 1.11204 0.80964 1.13007 0.11368  0.00969  0.30029  192 GLU A OE1 
1366 O OE2 . GLU A 185 ? 1.05628 0.71048 1.07607 0.08715  0.02505  0.33370  192 GLU A OE2 
1367 N N   . ASP A 186 ? 0.69153 0.56326 0.63744 0.06273  0.00225  0.23909  193 ASP A N   
1368 C CA  . ASP A 186 ? 0.70849 0.62080 0.63184 0.05870  0.00290  0.25121  193 ASP A CA  
1369 C C   . ASP A 186 ? 0.71949 0.65739 0.63448 0.04488  0.00405  0.22393  193 ASP A C   
1370 O O   . ASP A 186 ? 0.69022 0.66622 0.58597 0.04269  0.00410  0.22640  193 ASP A O   
1371 C CB  . ASP A 186 ? 0.72769 0.67619 0.63752 0.07638  -0.00696 0.26409  193 ASP A CB  
1372 C CG  . ASP A 186 ? 0.78667 0.75445 0.70047 0.08325  -0.01689 0.23681  193 ASP A CG  
1373 O OD1 . ASP A 186 ? 0.79969 0.74688 0.72736 0.07685  -0.01572 0.21177  193 ASP A OD1 
1374 O OD2 . ASP A 186 ? 0.93199 0.93858 0.83498 0.09410  -0.02590 0.24093  193 ASP A OD2 
1375 N N   . GLN A 187 ? 0.61916 0.53788 0.54793 0.03657  0.00507  0.19810  194 GLN A N   
1376 C CA  . GLN A 187 ? 0.64668 0.58520 0.57065 0.02592  0.00583  0.17327  194 GLN A CA  
1377 C C   . GLN A 187 ? 0.64609 0.56740 0.58030 0.01034  0.01472  0.16859  194 GLN A C   
1378 O O   . GLN A 187 ? 0.60076 0.52820 0.53838 0.00341  0.01470  0.14610  194 GLN A O   
1379 C CB  . GLN A 187 ? 0.58492 0.52462 0.51497 0.02973  -0.00170 0.14728  194 GLN A CB  
1380 C CG  . GLN A 187 ? 0.59181 0.55398 0.51547 0.04303  -0.01093 0.14839  194 GLN A CG  
1381 C CD  . GLN A 187 ? 0.65739 0.66152 0.56075 0.04342  -0.01386 0.14951  194 GLN A CD  
1382 O OE1 . GLN A 187 ? 0.64675 0.66451 0.54194 0.03401  -0.00998 0.13789  194 GLN A OE1 
1383 N NE2 . GLN A 187 ? 0.60386 0.63128 0.49947 0.05525  -0.02104 0.16210  194 GLN A NE2 
1384 N N   . THR A 188 ? 0.64251 0.54369 0.58294 0.00438  0.02221  0.19038  195 THR A N   
1385 C CA  . THR A 188 ? 0.64913 0.53674 0.60263 -0.01249 0.03041  0.18594  195 THR A CA  
1386 C C   . THR A 188 ? 0.69284 0.61653 0.63680 -0.02153 0.03629  0.18253  195 THR A C   
1387 O O   . THR A 188 ? 0.69665 0.61774 0.65266 -0.03559 0.04310  0.17851  195 THR A O   
1388 C CB  . THR A 188 ? 0.70604 0.56031 0.67115 -0.01856 0.03743  0.21077  195 THR A CB  
1389 O OG1 . THR A 188 ? 0.69482 0.56555 0.64489 -0.01469 0.04128  0.24138  195 THR A OG1 
1390 C CG2 . THR A 188 ? 0.76767 0.58228 0.74590 -0.00852 0.03262  0.20951  195 THR A CG2 
1391 N N   . GLU A 189 ? 0.67912 0.63875 0.60295 -0.01380 0.03392  0.18228  196 GLU A N   
1392 C CA  . GLU A 189 ? 0.68155 0.67691 0.59647 -0.01999 0.03995  0.17429  196 GLU A CA  
1393 C C   . GLU A 189 ? 0.64883 0.64515 0.57500 -0.02392 0.03838  0.14487  196 GLU A C   
1394 O O   . GLU A 189 ? 0.64911 0.66717 0.57710 -0.03055 0.04522  0.13810  196 GLU A O   
1395 C CB  . GLU A 189 ? 0.63339 0.66658 0.52372 -0.01012 0.03663  0.17498  196 GLU A CB  
1396 C CG  . GLU A 189 ? 0.67873 0.71771 0.56517 -0.00120 0.02590  0.14970  196 GLU A CG  
1397 C CD  . GLU A 189 ? 0.68069 0.75667 0.54397 0.00713  0.02122  0.14995  196 GLU A CD  
1398 O OE1 . GLU A 189 ? 0.74906 0.82694 0.60512 0.01558  0.01529  0.16724  196 GLU A OE1 
1399 O OE2 . GLU A 189 ? 0.68311 0.78767 0.53610 0.00586  0.02318  0.13177  196 GLU A OE2 
1400 N N   . TYR A 190 ? 0.58069 0.55643 0.51474 -0.01907 0.02992  0.12866  197 TYR A N   
1401 C CA  . TYR A 190 ? 0.61603 0.59123 0.55995 -0.02141 0.02752  0.10427  197 TYR A CA  
1402 C C   . TYR A 190 ? 0.64902 0.60534 0.61281 -0.03242 0.03070  0.10214  197 TYR A C   
1403 O O   . TYR A 190 ? 0.61241 0.56532 0.58538 -0.03333 0.02699  0.08436  197 TYR A O   
1404 C CB  . TYR A 190 ? 0.56925 0.53515 0.51137 -0.01257 0.01769  0.08975  197 TYR A CB  
1405 C CG  . TYR A 190 ? 0.54313 0.53123 0.46782 -0.00404 0.01356  0.08883  197 TYR A CG  
1406 C CD1 . TYR A 190 ? 0.54097 0.55595 0.45576 -0.00348 0.01536  0.07663  197 TYR A CD1 
1407 C CD2 . TYR A 190 ? 0.55023 0.53497 0.46929 0.00381  0.00781  0.09909  197 TYR A CD2 
1408 C CE1 . TYR A 190 ? 0.57199 0.60956 0.47059 0.00253  0.01109  0.07243  197 TYR A CE1 
1409 C CE2 . TYR A 190 ? 0.54295 0.55400 0.44664 0.01040  0.00283  0.09722  197 TYR A CE2 
1410 C CZ  . TYR A 190 ? 0.58287 0.62018 0.47573 0.00861  0.00434  0.08298  197 TYR A CZ  
1411 O OH  . TYR A 190 ? 0.55141 0.61664 0.42887 0.01345  -0.00115 0.07762  197 TYR A OH  
1412 N N   . LEU A 191 ? 0.69938 0.64431 0.67012 -0.04144 0.03725  0.12040  198 LEU A N   
1413 C CA  . LEU A 191 ? 0.68582 0.61962 0.67639 -0.05575 0.04146  0.11790  198 LEU A CA  
1414 C C   . LEU A 191 ? 0.70693 0.67055 0.70154 -0.06625 0.05114  0.12342  198 LEU A C   
1415 O O   . LEU A 191 ? 0.71925 0.68469 0.73212 -0.07875 0.05399  0.11734  198 LEU A O   
1416 C CB  . LEU A 191 ? 0.62506 0.52213 0.62550 -0.06163 0.04320  0.13256  198 LEU A CB  
1417 C CG  . LEU A 191 ? 0.68740 0.55421 0.68890 -0.05140 0.03507  0.12519  198 LEU A CG  
1418 C CD1 . LEU A 191 ? 0.65464 0.48276 0.66821 -0.05628 0.03838  0.13896  198 LEU A CD1 
1419 C CD2 . LEU A 191 ? 0.60649 0.47330 0.61520 -0.05171 0.02866  0.09897  198 LEU A CD2 
1420 N N   . GLU A 192 ? 0.61722 0.60847 0.59553 -0.06163 0.05625  0.13372  199 GLU A N   
1421 C CA  . GLU A 192 ? 0.63706 0.66202 0.61804 -0.07066 0.06726  0.13988  199 GLU A CA  
1422 C C   . GLU A 192 ? 0.62270 0.67612 0.60814 -0.06598 0.06651  0.11604  199 GLU A C   
1423 O O   . GLU A 192 ? 0.58811 0.64404 0.56340 -0.05277 0.05951  0.09993  199 GLU A O   
1424 C CB  . GLU A 192 ? 0.70660 0.75403 0.66574 -0.06654 0.07353  0.15989  199 GLU A CB  
1425 C CG  . GLU A 192 ? 0.77208 0.79138 0.72393 -0.06517 0.07207  0.18543  199 GLU A CG  
1426 C CD  . GLU A 192 ? 0.94806 0.95450 0.91281 -0.08196 0.08250  0.21096  199 GLU A CD  
1427 O OE1 . GLU A 192 ? 0.95037 0.97919 0.92715 -0.09572 0.09181  0.20983  199 GLU A OE1 
1428 O OE2 . GLU A 192 ? 1.00067 0.97453 0.96552 -0.08146 0.08167  0.23239  199 GLU A OE2 
1429 N N   . GLU A 193 ? 0.59684 0.67178 0.59967 -0.07701 0.07395  0.11439  200 GLU A N   
1430 C CA  . GLU A 193 ? 0.60108 0.70277 0.61301 -0.07101 0.07324  0.09312  200 GLU A CA  
1431 C C   . GLU A 193 ? 0.57791 0.70866 0.57172 -0.05711 0.07653  0.08503  200 GLU A C   
1432 O O   . GLU A 193 ? 0.51944 0.65079 0.51125 -0.04427 0.07038  0.06521  200 GLU A O   
1433 C CB  . GLU A 193 ? 0.61416 0.74104 0.64976 -0.08561 0.08142  0.09526  200 GLU A CB  
1434 C CG  . GLU A 193 ? 0.59073 0.74757 0.63996 -0.07759 0.08027  0.07498  200 GLU A CG  
1435 C CD  . GLU A 193 ? 0.76541 0.95775 0.83905 -0.09161 0.08927  0.07807  200 GLU A CD  
1436 O OE1 . GLU A 193 ? 0.79809 0.98679 0.87922 -0.11059 0.09608  0.09542  200 GLU A OE1 
1437 O OE2 . GLU A 193 ? 0.91626 1.14057 1.00338 -0.08367 0.08978  0.06373  200 GLU A OE2 
1438 N N   . ARG A 194 ? 0.53319 0.68819 0.51334 -0.05990 0.08655  0.10002  201 ARG A N   
1439 C CA  . ARG A 194 ? 0.55618 0.74432 0.51836 -0.04772 0.09077  0.08918  201 ARG A CA  
1440 C C   . ARG A 194 ? 0.56177 0.73192 0.50385 -0.03475 0.08021  0.07900  201 ARG A C   
1441 O O   . ARG A 194 ? 0.59720 0.78473 0.52984 -0.02343 0.07977  0.05923  201 ARG A O   
1442 C CB  . ARG A 194 ? 0.56523 0.78757 0.51447 -0.05459 0.10414  0.10936  201 ARG A CB  
1443 C CG  . ARG A 194 ? 0.70184 0.90363 0.63631 -0.06056 0.10314  0.13780  201 ARG A CG  
1444 C CD  . ARG A 194 ? 0.70865 0.94597 0.63124 -0.06892 0.11749  0.16244  201 ARG A CD  
1445 N NE  . ARG A 194 ? 0.78293 1.00127 0.68872 -0.07056 0.11548  0.19153  201 ARG A NE  
1446 C CZ  . ARG A 194 ? 0.96640 1.21352 0.85231 -0.07338 0.12487  0.21665  201 ARG A CZ  
1447 N NH1 . ARG A 194 ? 0.77184 1.07048 0.65108 -0.07630 0.13824  0.21543  201 ARG A NH1 
1448 N NH2 . ARG A 194 ? 0.87265 1.09874 0.74496 -0.07212 0.12104  0.24452  201 ARG A NH2 
1449 N N   . ARG A 195 ? 0.55709 0.69332 0.49439 -0.03631 0.07192  0.09069  202 ARG A N   
1450 C CA  . ARG A 195 ? 0.53763 0.66025 0.45950 -0.02541 0.06145  0.08093  202 ARG A CA  
1451 C C   . ARG A 195 ? 0.56550 0.66730 0.49941 -0.01954 0.05262  0.05830  202 ARG A C   
1452 O O   . ARG A 195 ? 0.52310 0.62730 0.44800 -0.01056 0.04765  0.04096  202 ARG A O   
1453 C CB  . ARG A 195 ? 0.51295 0.61085 0.42778 -0.02699 0.05612  0.10190  202 ARG A CB  
1454 C CG  . ARG A 195 ? 0.57009 0.65941 0.47150 -0.01659 0.04500  0.09323  202 ARG A CG  
1455 C CD  . ARG A 195 ? 0.61921 0.74456 0.49656 -0.01028 0.04616  0.08988  202 ARG A CD  
1456 N NE  . ARG A 195 ? 0.62765 0.74883 0.49339 -0.00284 0.03508  0.08575  202 ARG A NE  
1457 C CZ  . ARG A 195 ? 0.57971 0.71254 0.43786 0.00242  0.02950  0.06164  202 ARG A CZ  
1458 N NH1 . ARG A 195 ? 0.53411 0.67991 0.39402 0.00328  0.03409  0.03907  202 ARG A NH1 
1459 N NH2 . ARG A 195 ? 0.51638 0.64782 0.36700 0.00691  0.01921  0.05954  202 ARG A NH2 
1460 N N   . ILE A 196 ? 0.51641 0.59860 0.47048 -0.02539 0.05059  0.05838  203 ILE A N   
1461 C CA  . ILE A 196 ? 0.55544 0.62057 0.51982 -0.01986 0.04250  0.04062  203 ILE A CA  
1462 C C   . ILE A 196 ? 0.54900 0.63606 0.51862 -0.01203 0.04589  0.02294  203 ILE A C   
1463 O O   . ILE A 196 ? 0.49090 0.56884 0.45860 -0.00298 0.04040  0.00719  203 ILE A O   
1464 C CB  . ILE A 196 ? 0.52683 0.57197 0.50955 -0.02822 0.03937  0.04476  203 ILE A CB  
1465 C CG1 . ILE A 196 ? 0.56527 0.58262 0.54391 -0.03277 0.03551  0.05793  203 ILE A CG1 
1466 C CG2 . ILE A 196 ? 0.50785 0.54296 0.49989 -0.02209 0.03185  0.02888  203 ILE A CG2 
1467 C CD1 . ILE A 196 ? 0.61340 0.61610 0.60896 -0.04500 0.03668  0.06468  203 ILE A CD1 
1468 N N   . LYS A 197 ? 0.49803 0.61393 0.47632 -0.01534 0.05558  0.02552  204 LYS A N   
1469 C CA  . LYS A 197 ? 0.51805 0.65928 0.50227 -0.00531 0.06059  0.00857  204 LYS A CA  
1470 C C   . LYS A 197 ? 0.57345 0.71996 0.53829 0.00498  0.06059  -0.00569 204 LYS A C   
1471 O O   . LYS A 197 ? 0.57363 0.71501 0.54252 0.01603  0.05805  -0.02509 204 LYS A O   
1472 C CB  . LYS A 197 ? 0.51547 0.69505 0.50882 -0.01126 0.07314  0.01574  204 LYS A CB  
1473 C CG  . LYS A 197 ? 0.58390 0.77061 0.60416 -0.01814 0.07356  0.01874  204 LYS A CG  
1474 C CD  . LYS A 197 ? 0.54642 0.77817 0.57680 -0.02412 0.08733  0.02421  204 LYS A CD  
1475 C CE  . LYS A 197 ? 0.65203 0.89794 0.71181 -0.03279 0.08736  0.02622  204 LYS A CE  
1476 N NZ  . LYS A 197 ? 0.59441 0.87963 0.66421 -0.04665 0.10118  0.03873  204 LYS A NZ  
1477 N N   . GLU A 198 ? 0.55473 0.71129 0.49874 0.00124  0.06306  0.00395  205 GLU A N   
1478 C CA  . GLU A 198 ? 0.56596 0.73524 0.48982 0.00903  0.06290  -0.01097 205 GLU A CA  
1479 C C   . GLU A 198 ? 0.57854 0.71639 0.50039 0.01376  0.05111  -0.02485 205 GLU A C   
1480 O O   . GLU A 198 ? 0.56064 0.70024 0.47909 0.02164  0.05033  -0.04747 205 GLU A O   
1481 C CB  . GLU A 198 ? 0.50306 0.69257 0.40441 0.00359  0.06628  0.00662  205 GLU A CB  
1482 C CG  . GLU A 198 ? 0.54645 0.75400 0.42408 0.00985  0.06421  -0.00806 205 GLU A CG  
1483 C CD  . GLU A 198 ? 0.65655 0.88204 0.51157 0.00538  0.06435  0.01430  205 GLU A CD  
1484 O OE1 . GLU A 198 ? 0.66153 0.86261 0.51838 0.00101  0.05764  0.03459  205 GLU A OE1 
1485 O OE2 . GLU A 198 ? 0.58436 0.84954 0.41969 0.00733  0.07130  0.01194  205 GLU A OE2 
1486 N N   . ILE A 199 ? 0.54378 0.65277 0.46889 0.00850  0.04259  -0.01247 206 ILE A N   
1487 C CA  . ILE A 199 ? 0.59326 0.67592 0.51777 0.01113  0.03237  -0.02340 206 ILE A CA  
1488 C C   . ILE A 199 ? 0.59192 0.65735 0.53373 0.01682  0.03061  -0.03819 206 ILE A C   
1489 O O   . ILE A 199 ? 0.61141 0.66521 0.55234 0.02147  0.02690  -0.05532 206 ILE A O   
1490 C CB  . ILE A 199 ? 0.57430 0.63494 0.49914 0.00531  0.02520  -0.00639 206 ILE A CB  
1491 C CG1 . ILE A 199 ? 0.54167 0.61771 0.45032 0.00246  0.02651  0.01083  206 ILE A CG1 
1492 C CG2 . ILE A 199 ? 0.53364 0.57229 0.45946 0.00687  0.01584  -0.01689 206 ILE A CG2 
1493 C CD1 . ILE A 199 ? 0.54249 0.59638 0.45460 -0.00094 0.02118  0.02851  206 ILE A CD1 
1494 N N   . VAL A 200 ? 0.54942 0.61363 0.50803 0.01624  0.03301  -0.03118 207 VAL A N   
1495 C CA  . VAL A 200 ? 0.52347 0.57361 0.49891 0.02328  0.03030  -0.04081 207 VAL A CA  
1496 C C   . VAL A 200 ? 0.59672 0.65931 0.57473 0.03467  0.03591  -0.06035 207 VAL A C   
1497 O O   . VAL A 200 ? 0.56006 0.60213 0.54371 0.04201  0.03229  -0.07344 207 VAL A O   
1498 C CB  . VAL A 200 ? 0.51957 0.57456 0.51216 0.01997  0.03096  -0.02932 207 VAL A CB  
1499 C CG1 . VAL A 200 ? 0.57828 0.63038 0.58829 0.03055  0.02930  -0.03805 207 VAL A CG1 
1500 C CG2 . VAL A 200 ? 0.46952 0.50404 0.46144 0.01040  0.02415  -0.01599 207 VAL A CG2 
1501 N N   . LYS A 201 ? 0.57080 0.66677 0.54526 0.03635  0.04567  -0.06266 208 LYS A N   
1502 C CA  . LYS A 201 ? 0.58904 0.70069 0.56607 0.04871  0.05259  -0.08406 208 LYS A CA  
1503 C C   . LYS A 201 ? 0.64926 0.74935 0.61070 0.05101  0.04980  -0.10329 208 LYS A C   
1504 O O   . LYS A 201 ? 0.61627 0.71071 0.58356 0.06190  0.05220  -0.12542 208 LYS A O   
1505 C CB  . LYS A 201 ? 0.62374 0.77984 0.59793 0.04844  0.06485  -0.08155 208 LYS A CB  
1506 C CG  . LYS A 201 ? 0.60184 0.78044 0.58317 0.06334  0.07403  -0.10431 208 LYS A CG  
1507 C CD  . LYS A 201 ? 0.69369 0.92047 0.66252 0.06122  0.08686  -0.10413 208 LYS A CD  
1508 C CE  . LYS A 201 ? 0.80093 1.04786 0.76670 0.07612  0.09531  -0.13397 208 LYS A CE  
1509 N NZ  . LYS A 201 ? 0.80037 1.05025 0.73765 0.07319  0.09396  -0.14772 208 LYS A NZ  
1510 N N   . LYS A 202 ? 0.63270 0.72910 0.57615 0.04109  0.04439  -0.09608 209 LYS A N   
1511 C CA  . LYS A 202 ? 0.64615 0.73968 0.57449 0.04075  0.04097  -0.11498 209 LYS A CA  
1512 C C   . LYS A 202 ? 0.68826 0.74174 0.62517 0.03911  0.03145  -0.12181 209 LYS A C   
1513 O O   . LYS A 202 ? 0.63731 0.67993 0.57341 0.04166  0.03031  -0.14494 209 LYS A O   
1514 C CB  . LYS A 202 ? 0.63432 0.74993 0.53997 0.03205  0.03909  -0.10297 209 LYS A CB  
1515 C CG  . LYS A 202 ? 0.65902 0.78008 0.54804 0.02994  0.03384  -0.12198 209 LYS A CG  
1516 C CD  . LYS A 202 ? 0.68804 0.83345 0.55605 0.02324  0.03031  -0.10474 209 LYS A CD  
1517 C CE  . LYS A 202 ? 0.70191 0.86464 0.55213 0.02108  0.02473  -0.12523 209 LYS A CE  
1518 N NZ  . LYS A 202 ? 0.80291 0.99942 0.63068 0.01774  0.02203  -0.10711 209 LYS A NZ  
1519 N N   . HIS A 203 ? 0.67566 0.70739 0.62121 0.03401  0.02521  -0.10280 210 HIS A N   
1520 C CA  . HIS A 203 ? 0.63885 0.63790 0.59001 0.02992  0.01681  -0.10481 210 HIS A CA  
1521 C C   . HIS A 203 ? 0.65582 0.62830 0.62633 0.03473  0.01504  -0.09873 210 HIS A C   
1522 O O   . HIS A 203 ? 0.67641 0.62117 0.65285 0.03261  0.01004  -0.10247 210 HIS A O   
1523 C CB  . HIS A 203 ? 0.63111 0.62994 0.57319 0.01983  0.01014  -0.08842 210 HIS A CB  
1524 C CG  . HIS A 203 ? 0.67283 0.69562 0.59608 0.01562  0.00877  -0.09313 210 HIS A CG  
1525 N ND1 . HIS A 203 ? 0.77256 0.79794 0.68932 0.01365  0.00614  -0.11509 210 HIS A ND1 
1526 C CD2 . HIS A 203 ? 0.70685 0.75334 0.61654 0.01308  0.00920  -0.07801 210 HIS A CD2 
1527 C CE1 . HIS A 203 ? 0.75183 0.80644 0.65057 0.01044  0.00419  -0.11375 210 HIS A CE1 
1528 N NE2 . HIS A 203 ? 0.76526 0.83217 0.65921 0.01094  0.00614  -0.08962 210 HIS A NE2 
1529 N N   . SER A 204 ? 0.63811 0.62081 0.61893 0.04044  0.01880  -0.08865 211 SER A N   
1530 C CA  . SER A 204 ? 0.63658 0.60044 0.63408 0.04514  0.01547  -0.07985 211 SER A CA  
1531 C C   . SER A 204 ? 0.66664 0.64394 0.67940 0.05853  0.02119  -0.08427 211 SER A C   
1532 O O   . SER A 204 ? 0.67789 0.65964 0.70316 0.06145  0.01935  -0.07182 211 SER A O   
1533 C CB  . SER A 204 ? 0.60686 0.57141 0.60401 0.03654  0.01089  -0.05956 211 SER A CB  
1534 O OG  . SER A 204 ? 0.58054 0.53630 0.56543 0.02654  0.00634  -0.05563 211 SER A OG  
1535 N N   . GLN A 205 ? 0.62177 0.60864 0.63448 0.06740  0.02795  -0.10339 212 GLN A N   
1536 C CA  . GLN A 205 ? 0.74226 0.74970 0.77032 0.08173  0.03499  -0.10901 212 GLN A CA  
1537 C C   . GLN A 205 ? 0.71207 0.69520 0.76066 0.09587  0.03184  -0.10918 212 GLN A C   
1538 O O   . GLN A 205 ? 0.66772 0.66981 0.73340 0.10831  0.03495  -0.10666 212 GLN A O   
1539 C CB  . GLN A 205 ? 0.70770 0.73562 0.72847 0.08827  0.04436  -0.13192 212 GLN A CB  
1540 C CG  . GLN A 205 ? 0.85501 0.85598 0.86976 0.09065  0.04341  -0.15563 212 GLN A CG  
1541 C CD  . GLN A 205 ? 0.93326 0.92093 0.92915 0.07402  0.03640  -0.15427 212 GLN A CD  
1542 O OE1 . GLN A 205 ? 0.91830 0.89675 0.91135 0.06352  0.02948  -0.13406 212 GLN A OE1 
1543 N NE2 . GLN A 205 ? 0.88115 0.87138 0.86476 0.07208  0.03819  -0.17764 212 GLN A NE2 
1544 N N   . PHE A 206 ? 0.74522 0.68881 0.79371 0.09434  0.02585  -0.11053 213 PHE A N   
1545 C CA  . PHE A 206 ? 0.71019 0.62567 0.77733 0.10868  0.02355  -0.10943 213 PHE A CA  
1546 C C   . PHE A 206 ? 0.67879 0.57586 0.74883 0.10326  0.01447  -0.08589 213 PHE A C   
1547 O O   . PHE A 206 ? 0.69533 0.56077 0.77581 0.11077  0.01130  -0.08128 213 PHE A O   
1548 C CB  . PHE A 206 ? 0.72365 0.60515 0.79142 0.11221  0.02569  -0.13107 213 PHE A CB  
1549 C CG  . PHE A 206 ? 0.75680 0.65635 0.82504 0.12279  0.03525  -0.15781 213 PHE A CG  
1550 C CD1 . PHE A 206 ? 0.72269 0.64804 0.80641 0.14132  0.04175  -0.16092 213 PHE A CD1 
1551 C CD2 . PHE A 206 ? 0.79249 0.68835 0.84574 0.11427  0.03777  -0.18095 213 PHE A CD2 
1552 C CE1 . PHE A 206 ? 0.78446 0.73043 0.86823 0.15186  0.05190  -0.18698 213 PHE A CE1 
1553 C CE2 . PHE A 206 ? 0.80113 0.71753 0.85236 0.12405  0.04699  -0.20770 213 PHE A CE2 
1554 C CZ  . PHE A 206 ? 0.82542 0.76645 0.89163 0.14319  0.05473  -0.21089 213 PHE A CZ  
1555 N N   . ILE A 207 ? 0.62855 0.54435 0.68932 0.09042  0.01073  -0.07092 214 ILE A N   
1556 C CA  . ILE A 207 ? 0.58222 0.48774 0.64429 0.08579  0.00276  -0.05072 214 ILE A CA  
1557 C C   . ILE A 207 ? 0.59150 0.50854 0.67189 0.10153  0.00058  -0.04065 214 ILE A C   
1558 O O   . ILE A 207 ? 0.61926 0.56927 0.70892 0.10833  0.00393  -0.04314 214 ILE A O   
1559 C CB  . ILE A 207 ? 0.54389 0.46740 0.59294 0.06960  0.00017  -0.04129 214 ILE A CB  
1560 C CG1 . ILE A 207 ? 0.59974 0.51329 0.63214 0.05663  0.00110  -0.04884 214 ILE A CG1 
1561 C CG2 . ILE A 207 ? 0.59098 0.50982 0.64084 0.06584  -0.00737 -0.02364 214 ILE A CG2 
1562 C CD1 . ILE A 207 ? 0.52277 0.40476 0.55189 0.05094  -0.00319 -0.04689 214 ILE A CD1 
1563 N N   . GLY A 208 ? 0.55529 0.44834 0.64161 0.10728  -0.00506 -0.02782 215 GLY A N   
1564 C CA  . GLY A 208 ? 0.58775 0.49075 0.69192 0.12519  -0.00838 -0.01644 215 GLY A CA  
1565 C C   . GLY A 208 ? 0.62216 0.55791 0.72649 0.12091  -0.01531 -0.00037 215 GLY A C   
1566 O O   . GLY A 208 ? 0.59916 0.53813 0.71230 0.13148  -0.02179 0.01535  215 GLY A O   
1567 N N   . TYR A 209 ? 0.54499 0.50531 0.63985 0.10549  -0.01426 -0.00410 216 TYR A N   
1568 C CA  . TYR A 209 ? 0.51365 0.50511 0.60930 0.09843  -0.02027 0.00616  216 TYR A CA  
1569 C C   . TYR A 209 ? 0.51092 0.53388 0.60858 0.08932  -0.01489 -0.00303 216 TYR A C   
1570 O O   . TYR A 209 ? 0.54817 0.56407 0.63694 0.08243  -0.00775 -0.01342 216 TYR A O   
1571 C CB  . TYR A 209 ? 0.51564 0.49331 0.59414 0.08328  -0.02590 0.01530  216 TYR A CB  
1572 C CG  . TYR A 209 ? 0.58021 0.53078 0.65603 0.08960  -0.03052 0.02817  216 TYR A CG  
1573 C CD1 . TYR A 209 ? 0.49940 0.46346 0.58217 0.09990  -0.03800 0.04398  216 TYR A CD1 
1574 C CD2 . TYR A 209 ? 0.54942 0.46344 0.61623 0.08444  -0.02748 0.02581  216 TYR A CD2 
1575 C CE1 . TYR A 209 ? 0.48957 0.42878 0.56909 0.10535  -0.04147 0.05968  216 TYR A CE1 
1576 C CE2 . TYR A 209 ? 0.52923 0.41766 0.59498 0.08786  -0.03050 0.03962  216 TYR A CE2 
1577 C CZ  . TYR A 209 ? 0.53749 0.43730 0.60897 0.09854  -0.03705 0.05783  216 TYR A CZ  
1578 O OH  . TYR A 209 ? 0.56298 0.43735 0.63258 0.10165  -0.03936 0.07538  216 TYR A OH  
1579 N N   . PRO A 210 ? 0.48686 0.54675 0.59645 0.08833  -0.01816 0.00126  217 PRO A N   
1580 C CA  . PRO A 210 ? 0.47972 0.56978 0.59399 0.07744  -0.01205 -0.00551 217 PRO A CA  
1581 C C   . PRO A 210 ? 0.50580 0.58232 0.60217 0.05655  -0.01071 -0.00602 217 PRO A C   
1582 O O   . PRO A 210 ? 0.48771 0.55490 0.57546 0.04721  -0.01741 -0.00035 217 PRO A O   
1583 C CB  . PRO A 210 ? 0.45092 0.58212 0.58346 0.07870  -0.01814 -0.00001 217 PRO A CB  
1584 C CG  . PRO A 210 ? 0.42433 0.54638 0.55500 0.08679  -0.02907 0.01114  217 PRO A CG  
1585 C CD  . PRO A 210 ? 0.42551 0.50401 0.54595 0.09708  -0.02773 0.01313  217 PRO A CD  
1586 N N   . ILE A 211 ? 0.47155 0.54876 0.56226 0.05062  -0.00173 -0.01263 218 ILE A N   
1587 C CA  . ILE A 211 ? 0.50240 0.56805 0.57806 0.03344  0.00049  -0.01131 218 ILE A CA  
1588 C C   . ILE A 211 ? 0.48649 0.58254 0.57192 0.02221  0.00614  -0.01014 218 ILE A C   
1589 O O   . ILE A 211 ? 0.46682 0.58320 0.55763 0.02550  0.01491  -0.01387 218 ILE A O   
1590 C CB  . ILE A 211 ? 0.52219 0.56571 0.58179 0.03467  0.00560  -0.01681 218 ILE A CB  
1591 C CG1 . ILE A 211 ? 0.55706 0.56955 0.60954 0.04200  0.00022  -0.01798 218 ILE A CG1 
1592 C CG2 . ILE A 211 ? 0.51307 0.54967 0.55924 0.01955  0.00781  -0.01272 218 ILE A CG2 
1593 C CD1 . ILE A 211 ? 0.49005 0.48333 0.52837 0.04142  0.00373  -0.02580 218 ILE A CD1 
1594 N N   . THR A 212 ? 0.48115 0.58114 0.56938 0.00808  0.00184  -0.00579 219 THR A N   
1595 C CA  . THR A 212 ? 0.45838 0.58336 0.55829 -0.00653 0.00691  -0.00397 219 THR A CA  
1596 C C   . THR A 212 ? 0.50787 0.61029 0.59414 -0.02105 0.01126  0.00061  219 THR A C   
1597 O O   . THR A 212 ? 0.47792 0.55287 0.55298 -0.02542 0.00586  0.00153  219 THR A O   
1598 C CB  . THR A 212 ? 0.51049 0.65639 0.62586 -0.01414 -0.00095 -0.00445 219 THR A CB  
1599 O OG1 . THR A 212 ? 0.51685 0.68333 0.64380 0.00240  -0.00673 -0.00570 219 THR A OG1 
1600 C CG2 . THR A 212 ? 0.39281 0.56768 0.52508 -0.03100 0.00508  -0.00376 219 THR A CG2 
1601 N N   . LEU A 213 ? 0.51287 0.62876 0.60052 -0.02746 0.02142  0.00455  220 LEU A N   
1602 C CA  . LEU A 213 ? 0.46666 0.56336 0.54279 -0.03987 0.02629  0.01292  220 LEU A CA  
1603 C C   . LEU A 213 ? 0.48088 0.58900 0.57305 -0.05926 0.02924  0.01800  220 LEU A C   
1604 O O   . LEU A 213 ? 0.50377 0.64411 0.61017 -0.06528 0.03690  0.02057  220 LEU A O   
1605 C CB  . LEU A 213 ? 0.49833 0.60237 0.56224 -0.03473 0.03575  0.01651  220 LEU A CB  
1606 C CG  . LEU A 213 ? 0.53469 0.62462 0.58667 -0.04584 0.04135  0.02968  220 LEU A CG  
1607 C CD1 . LEU A 213 ? 0.51466 0.56619 0.55482 -0.04630 0.03356  0.03167  220 LEU A CD1 
1608 C CD2 . LEU A 213 ? 0.53875 0.64373 0.57576 -0.03907 0.04965  0.03241  220 LEU A CD2 
1609 N N   . PHE A 214 ? 0.49192 0.57441 0.58311 -0.06959 0.02377  0.01814  221 PHE A N   
1610 C CA  . PHE A 214 ? 0.48496 0.57034 0.59191 -0.09025 0.02638  0.02079  221 PHE A CA  
1611 C C   . PHE A 214 ? 0.52774 0.60439 0.63086 -0.10019 0.03764  0.03581  221 PHE A C   
1612 O O   . PHE A 214 ? 0.57868 0.63883 0.66284 -0.09122 0.04054  0.04365  221 PHE A O   
1613 C CB  . PHE A 214 ? 0.53612 0.59288 0.64180 -0.09715 0.01796  0.01373  221 PHE A CB  
1614 C CG  . PHE A 214 ? 0.48487 0.55779 0.59651 -0.09258 0.00710  0.00078  221 PHE A CG  
1615 C CD1 . PHE A 214 ? 0.46003 0.55039 0.56790 -0.07464 0.00288  -0.00140 221 PHE A CD1 
1616 C CD2 . PHE A 214 ? 0.45530 0.52557 0.57599 -0.10611 0.00103  -0.00913 221 PHE A CD2 
1617 C CE1 . PHE A 214 ? 0.45240 0.55839 0.56468 -0.06942 -0.00732 -0.00914 221 PHE A CE1 
1618 C CE2 . PHE A 214 ? 0.46057 0.55098 0.58410 -0.10168 -0.00957 -0.01975 221 PHE A CE2 
1619 C CZ  . PHE A 214 ? 0.44654 0.55540 0.56548 -0.08285 -0.01384 -0.01771 221 PHE A CZ  
1620 N N   . VAL A 215 ? 0.50473 0.59480 0.62652 -0.11970 0.04384  0.04084  222 VAL A N   
1621 C CA  . VAL A 215 ? 0.56907 0.64810 0.68958 -0.13256 0.05492  0.05877  222 VAL A CA  
1622 C C   . VAL A 215 ? 0.60722 0.65718 0.74156 -0.15319 0.05390  0.05931  222 VAL A C   
1623 O O   . VAL A 215 ? 0.58589 0.63350 0.73148 -0.15872 0.04521  0.04328  222 VAL A O   
1624 C CB  . VAL A 215 ? 0.59533 0.71867 0.72645 -0.13887 0.06695  0.06737  222 VAL A CB  
1625 C CG1 . VAL A 215 ? 0.59173 0.74245 0.71074 -0.11697 0.06777  0.06150  222 VAL A CG1 
1626 C CG2 . VAL A 215 ? 0.51867 0.67386 0.67961 -0.15546 0.06681  0.05926  222 VAL A CG2 
1627 N N   . GLU A 216 ? 0.62594 0.65304 0.75885 -0.16423 0.06286  0.07790  223 GLU A N   
1628 C CA  . GLU A 216 ? 0.69923 0.68697 0.84418 -0.18189 0.06285  0.07928  223 GLU A CA  
1629 C C   . GLU A 216 ? 0.79194 0.79023 0.95868 -0.20797 0.07455  0.09296  223 GLU A C   
1630 O O   . GLU A 216 ? 0.83450 0.87776 1.00900 -0.21295 0.08209  0.09891  223 GLU A O   
1631 C CB  . GLU A 216 ? 0.77297 0.71258 0.89947 -0.17108 0.06225  0.09082  223 GLU A CB  
1632 C CG  . GLU A 216 ? 0.74582 0.68653 0.84698 -0.14506 0.05604  0.08832  223 GLU A CG  
1633 C CD  . GLU A 216 ? 0.79584 0.69582 0.88229 -0.13515 0.05568  0.10144  223 GLU A CD  
1634 O OE1 . GLU A 216 ? 0.75303 0.61483 0.84957 -0.14357 0.05556  0.10197  223 GLU A OE1 
1635 O OE2 . GLU A 216 ? 0.85245 0.75957 0.91856 -0.11866 0.05531  0.11014  223 GLU A OE2 
1636 N N   . LYS A 217 ? 0.85911 0.81466 1.03703 -0.22478 0.07675  0.09767  224 LYS A N   
1637 C CA  . LYS A 217 ? 0.91493 0.87113 1.11747 -0.25409 0.08754  0.10974  224 LYS A CA  
1638 C C   . LYS A 217 ? 0.98418 0.95416 1.17956 -0.25693 0.10222  0.14185  224 LYS A C   
1639 O O   . LYS A 217 ? 1.00927 0.95181 1.18371 -0.24402 0.10531  0.16219  224 LYS A O   
1640 C CB  . LYS A 217 ? 1.00649 0.90307 1.22127 -0.26888 0.08638  0.10658  224 LYS A CB  
1641 C CG  . LYS A 217 ? 1.03979 0.88264 1.23546 -0.25346 0.08802  0.12504  224 LYS A CG  
1642 C CD  . LYS A 217 ? 0.98336 0.77446 1.19760 -0.27486 0.09618  0.13927  224 LYS A CD  
1643 C CE  . LYS A 217 ? 1.05900 0.86364 1.27880 -0.29067 0.11156  0.17371  224 LYS A CE  
1644 N NZ  . LYS A 217 ? 1.06335 0.89555 1.25402 -0.26805 0.11496  0.19619  224 LYS A NZ  
# 
