data_8YTO
# 
_entry.id   8YTO 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.395 
_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   8YTO         pdb_00008yto 10.2210/pdb8yto/pdb 
WWPDB D_1300046353 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2024-07-03 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8YTO 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-26 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              hanazono.str@tmd.ac.jp 
_pdbx_contact_author.name_first         Yuya 
_pdbx_contact_author.name_last          Hanazono 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-3102-2945 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Yoshida, M.'  1 ? 
'Hanazono, Y.' 2 ? 
'Numoto, N.'   3 ? 
'Ito, N.'      4 ? 
'Oda, M.'      5 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Arch.Biochem.Biophys. 
_citation.journal_id_ASTM           ABBIA4 
_citation.journal_id_CSD            0158 
_citation.journal_id_ISSN           1096-0384 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                110068 
_citation.page_last                 110068 
_citation.title                     'Affinity-matured antibody with a disulfide bond in H-CDR3 loop.' 
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1016/j.abb.2024.110068 
_citation.pdbx_database_id_PubMed   38909835 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Yoshida, M.'   1  ? 
primary 'Hanazono, Y.'  2  ? 
primary 'Numoto, N.'    3  ? 
primary 'Nagao, S.'     4  ? 
primary 'Yabuno, S.'    5  ? 
primary 'Kitagawa, Y.'  6  ? 
primary 'Sekiguchi, H.' 7  ? 
primary 'Ito, N.'       8  ? 
primary 'Azuma, T.'     9  ? 
primary 'Oda, M.'       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 'Single-chain Fv antibody of E11'                             26157.059 1   ? ? ? ? 
2 non-polymer syn '2-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]ethanoic acid' 254.196   1   ? ? ? ? 
3 non-polymer syn GLYCEROL                                                      92.094    3   ? ? ? ? 
4 non-polymer syn '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'         238.305   1   ? ? ? ? 
5 water       nat water                                                         18.015    337 ? ? ? ? 
# 
_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       
;GSAQAVVTQESALTTSPGETVTLTCRSSTGAVISSNFVSWVQEKPDHLFTGLIGGNKNRAPGVPARFSGSLIGDKAVLTI
TGAQTEDEAIYFCALWYSNHWVFGGGTKLTVLGQGGGGSGGGGSGGGGSQVQLQQPGAELAKPGASVQLSCKGSGYTFPN
YWMHWVTQRPGRGLEWIGRIDPNSGFIRYDERFKTKATLTVDKPSSTAYMQLSSLTSDDSAVYFCARGCYGCIHFDYWGQ
GTTLTVSS
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GSAQAVVTQESALTTSPGETVTLTCRSSTGAVISSNFVSWVQEKPDHLFTGLIGGNKNRAPGVPARFSGSLIGDKAVLTI
TGAQTEDEAIYFCALWYSNHWVFGGGTKLTVLGQGGGGSGGGGSGGGGSQVQLQQPGAELAKPGASVQLSCKGSGYTFPN
YWMHWVTQRPGRGLEWIGRIDPNSGFIRYDERFKTKATLTVDKPSSTAYMQLSSLTSDDSAVYFCARGCYGCIHFDYWGQ
GTTLTVSS
;
_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 '2-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]ethanoic acid' A1LZO 
3 GLYCEROL                                                      GOL   
4 '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'         EPE   
5 water                                                         HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   SER n 
1 3   ALA n 
1 4   GLN n 
1 5   ALA n 
1 6   VAL n 
1 7   VAL n 
1 8   THR n 
1 9   GLN n 
1 10  GLU n 
1 11  SER n 
1 12  ALA n 
1 13  LEU n 
1 14  THR n 
1 15  THR n 
1 16  SER n 
1 17  PRO n 
1 18  GLY n 
1 19  GLU n 
1 20  THR n 
1 21  VAL n 
1 22  THR n 
1 23  LEU n 
1 24  THR n 
1 25  CYS n 
1 26  ARG n 
1 27  SER n 
1 28  SER n 
1 29  THR n 
1 30  GLY n 
1 31  ALA n 
1 32  VAL n 
1 33  ILE n 
1 34  SER n 
1 35  SER n 
1 36  ASN n 
1 37  PHE n 
1 38  VAL n 
1 39  SER n 
1 40  TRP n 
1 41  VAL n 
1 42  GLN n 
1 43  GLU n 
1 44  LYS n 
1 45  PRO n 
1 46  ASP n 
1 47  HIS n 
1 48  LEU n 
1 49  PHE n 
1 50  THR n 
1 51  GLY n 
1 52  LEU n 
1 53  ILE n 
1 54  GLY n 
1 55  GLY n 
1 56  ASN n 
1 57  LYS n 
1 58  ASN n 
1 59  ARG n 
1 60  ALA n 
1 61  PRO n 
1 62  GLY n 
1 63  VAL n 
1 64  PRO n 
1 65  ALA n 
1 66  ARG n 
1 67  PHE n 
1 68  SER n 
1 69  GLY n 
1 70  SER n 
1 71  LEU n 
1 72  ILE n 
1 73  GLY n 
1 74  ASP n 
1 75  LYS n 
1 76  ALA n 
1 77  VAL n 
1 78  LEU n 
1 79  THR n 
1 80  ILE n 
1 81  THR n 
1 82  GLY n 
1 83  ALA n 
1 84  GLN n 
1 85  THR n 
1 86  GLU n 
1 87  ASP n 
1 88  GLU n 
1 89  ALA n 
1 90  ILE n 
1 91  TYR n 
1 92  PHE n 
1 93  CYS n 
1 94  ALA n 
1 95  LEU n 
1 96  TRP n 
1 97  TYR n 
1 98  SER n 
1 99  ASN n 
1 100 HIS n 
1 101 TRP n 
1 102 VAL n 
1 103 PHE n 
1 104 GLY n 
1 105 GLY n 
1 106 GLY n 
1 107 THR n 
1 108 LYS n 
1 109 LEU n 
1 110 THR n 
1 111 VAL n 
1 112 LEU n 
1 113 GLY n 
1 114 GLN n 
1 115 GLY n 
1 116 GLY n 
1 117 GLY n 
1 118 GLY n 
1 119 SER n 
1 120 GLY n 
1 121 GLY n 
1 122 GLY n 
1 123 GLY n 
1 124 SER n 
1 125 GLY n 
1 126 GLY n 
1 127 GLY n 
1 128 GLY n 
1 129 SER n 
1 130 GLN n 
1 131 VAL n 
1 132 GLN n 
1 133 LEU n 
1 134 GLN n 
1 135 GLN n 
1 136 PRO n 
1 137 GLY n 
1 138 ALA n 
1 139 GLU n 
1 140 LEU n 
1 141 ALA n 
1 142 LYS n 
1 143 PRO n 
1 144 GLY n 
1 145 ALA n 
1 146 SER n 
1 147 VAL n 
1 148 GLN n 
1 149 LEU n 
1 150 SER n 
1 151 CYS n 
1 152 LYS n 
1 153 GLY n 
1 154 SER n 
1 155 GLY n 
1 156 TYR n 
1 157 THR n 
1 158 PHE n 
1 159 PRO n 
1 160 ASN n 
1 161 TYR n 
1 162 TRP n 
1 163 MET n 
1 164 HIS n 
1 165 TRP n 
1 166 VAL n 
1 167 THR n 
1 168 GLN n 
1 169 ARG n 
1 170 PRO n 
1 171 GLY n 
1 172 ARG n 
1 173 GLY n 
1 174 LEU n 
1 175 GLU n 
1 176 TRP n 
1 177 ILE n 
1 178 GLY n 
1 179 ARG n 
1 180 ILE n 
1 181 ASP n 
1 182 PRO n 
1 183 ASN n 
1 184 SER n 
1 185 GLY n 
1 186 PHE n 
1 187 ILE n 
1 188 ARG n 
1 189 TYR n 
1 190 ASP n 
1 191 GLU n 
1 192 ARG n 
1 193 PHE n 
1 194 LYS n 
1 195 THR n 
1 196 LYS n 
1 197 ALA n 
1 198 THR n 
1 199 LEU n 
1 200 THR n 
1 201 VAL n 
1 202 ASP n 
1 203 LYS n 
1 204 PRO n 
1 205 SER n 
1 206 SER n 
1 207 THR n 
1 208 ALA n 
1 209 TYR n 
1 210 MET n 
1 211 GLN n 
1 212 LEU n 
1 213 SER n 
1 214 SER n 
1 215 LEU n 
1 216 THR n 
1 217 SER n 
1 218 ASP n 
1 219 ASP n 
1 220 SER n 
1 221 ALA n 
1 222 VAL n 
1 223 TYR n 
1 224 PHE n 
1 225 CYS n 
1 226 ALA n 
1 227 ARG n 
1 228 GLY n 
1 229 CYS n 
1 230 TYR n 
1 231 GLY n 
1 232 CYS n 
1 233 ILE n 
1 234 HIS n 
1 235 PHE n 
1 236 ASP n 
1 237 TYR n 
1 238 TRP n 
1 239 GLY n 
1 240 GLN n 
1 241 GLY n 
1 242 THR n 
1 243 THR n 
1 244 LEU n 
1 245 THR n 
1 246 VAL n 
1 247 SER n 
1 248 SER 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                   248 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 ? 
_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      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1LZO non-polymer         . '2-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]ethanoic acid' ?                               
'C10 H10 N2 O6'  254.196 
ALA   'L-peptide linking' y ALANINE                                                       ?                               
'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE                                                      ?                               
'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE                                                    ?                               
'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID'                                               ?                               
'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE                                                      ?                               
'C3 H7 N O2 S'   121.158 
EPE   non-polymer         . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'         HEPES                           
'C8 H18 N2 O4 S' 238.305 
GLN   'L-peptide linking' y GLUTAMINE                                                     ?                               
'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'                                               ?                               
'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE                                                       ?                               
'C2 H5 N O2'     75.067  
GOL   non-polymer         . GLYCEROL                                                      'GLYCERIN; PROPANE-1,2,3-TRIOL' 
'C3 H8 O3'       92.094  
HIS   'L-peptide linking' y HISTIDINE                                                     ?                               
'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER                                                         ?                               'H2 O' 
18.015  
ILE   'L-peptide linking' y ISOLEUCINE                                                    ?                               
'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE                                                       ?                               
'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE                                                        ?                               
'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE                                                    ?                               
'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE                                                 ?                               
'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE                                                       ?                               
'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE                                                        ?                               
'C3 H7 N O3'     105.093 
THR   'L-peptide linking' y THREONINE                                                     ?                               
'C4 H9 N O3'     119.119 
TRP   'L-peptide linking' y TRYPTOPHAN                                                    ?                               
'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE                                                      ?                               
'C9 H11 N O3'    181.189 
VAL   'L-peptide linking' y VALINE                                                        ?                               
'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   1   1   GLY GLY A . n 
A 1 2   SER 2   2   2   SER SER A . n 
A 1 3   ALA 3   3   3   ALA ALA A . n 
A 1 4   GLN 4   4   4   GLN GLN A . n 
A 1 5   ALA 5   5   5   ALA ALA A . n 
A 1 6   VAL 6   6   6   VAL VAL A . n 
A 1 7   VAL 7   7   7   VAL VAL A . n 
A 1 8   THR 8   8   8   THR THR A . n 
A 1 9   GLN 9   9   9   GLN GLN A . n 
A 1 10  GLU 10  10  10  GLU GLU A . n 
A 1 11  SER 11  11  11  SER SER A . n 
A 1 12  ALA 12  12  12  ALA ALA A . n 
A 1 13  LEU 13  13  13  LEU LEU A . n 
A 1 14  THR 14  14  14  THR THR A . n 
A 1 15  THR 15  15  15  THR THR A . n 
A 1 16  SER 16  16  16  SER SER A . n 
A 1 17  PRO 17  17  17  PRO PRO A . n 
A 1 18  GLY 18  18  18  GLY GLY A . n 
A 1 19  GLU 19  19  19  GLU GLU A . n 
A 1 20  THR 20  20  20  THR THR A . n 
A 1 21  VAL 21  21  21  VAL VAL A . n 
A 1 22  THR 22  22  22  THR THR A . n 
A 1 23  LEU 23  23  23  LEU LEU A . n 
A 1 24  THR 24  24  24  THR THR A . n 
A 1 25  CYS 25  25  25  CYS CYS A . n 
A 1 26  ARG 26  26  26  ARG ARG A . n 
A 1 27  SER 27  27  27  SER SER A . n 
A 1 28  SER 28  28  28  SER SER A . n 
A 1 29  THR 29  29  29  THR THR A . n 
A 1 30  GLY 30  30  30  GLY GLY A . n 
A 1 31  ALA 31  31  31  ALA ALA A . n 
A 1 32  VAL 32  32  32  VAL VAL A . n 
A 1 33  ILE 33  33  33  ILE ILE A . n 
A 1 34  SER 34  34  34  SER SER A . n 
A 1 35  SER 35  35  35  SER SER A . n 
A 1 36  ASN 36  36  36  ASN ASN A . n 
A 1 37  PHE 37  37  37  PHE PHE A . n 
A 1 38  VAL 38  38  38  VAL VAL A . n 
A 1 39  SER 39  39  39  SER SER A . n 
A 1 40  TRP 40  40  40  TRP TRP A . n 
A 1 41  VAL 41  41  41  VAL VAL A . n 
A 1 42  GLN 42  42  42  GLN GLN A . n 
A 1 43  GLU 43  43  43  GLU GLU A . n 
A 1 44  LYS 44  44  44  LYS LYS A . n 
A 1 45  PRO 45  45  45  PRO PRO A . n 
A 1 46  ASP 46  46  46  ASP ASP A . n 
A 1 47  HIS 47  47  47  HIS HIS A . n 
A 1 48  LEU 48  48  48  LEU LEU A . n 
A 1 49  PHE 49  49  49  PHE PHE A . n 
A 1 50  THR 50  50  50  THR THR A . n 
A 1 51  GLY 51  51  51  GLY GLY A . n 
A 1 52  LEU 52  52  52  LEU LEU A . n 
A 1 53  ILE 53  53  53  ILE ILE A . n 
A 1 54  GLY 54  54  54  GLY GLY A . n 
A 1 55  GLY 55  55  55  GLY GLY A . n 
A 1 56  ASN 56  56  56  ASN ASN A . n 
A 1 57  LYS 57  57  57  LYS LYS A . n 
A 1 58  ASN 58  58  58  ASN ASN A . n 
A 1 59  ARG 59  59  59  ARG ARG A . n 
A 1 60  ALA 60  60  60  ALA ALA A . n 
A 1 61  PRO 61  61  61  PRO PRO A . n 
A 1 62  GLY 62  62  62  GLY GLY A . n 
A 1 63  VAL 63  63  63  VAL VAL A . n 
A 1 64  PRO 64  64  64  PRO PRO A . n 
A 1 65  ALA 65  65  65  ALA ALA A . n 
A 1 66  ARG 66  66  66  ARG ARG A . n 
A 1 67  PHE 67  67  67  PHE PHE A . n 
A 1 68  SER 68  68  68  SER SER A . n 
A 1 69  GLY 69  69  69  GLY GLY A . n 
A 1 70  SER 70  70  70  SER SER A . n 
A 1 71  LEU 71  71  71  LEU LEU A . n 
A 1 72  ILE 72  72  72  ILE ILE A . n 
A 1 73  GLY 73  73  73  GLY GLY A . n 
A 1 74  ASP 74  74  74  ASP ASP A . n 
A 1 75  LYS 75  75  75  LYS LYS A . n 
A 1 76  ALA 76  76  76  ALA ALA A . n 
A 1 77  VAL 77  77  77  VAL VAL A . n 
A 1 78  LEU 78  78  78  LEU LEU A . n 
A 1 79  THR 79  79  79  THR THR A . n 
A 1 80  ILE 80  80  80  ILE ILE A . n 
A 1 81  THR 81  81  81  THR THR A . n 
A 1 82  GLY 82  82  82  GLY GLY A . n 
A 1 83  ALA 83  83  83  ALA ALA A . n 
A 1 84  GLN 84  84  84  GLN GLN A . n 
A 1 85  THR 85  85  85  THR THR A . n 
A 1 86  GLU 86  86  86  GLU GLU A . n 
A 1 87  ASP 87  87  87  ASP ASP A . n 
A 1 88  GLU 88  88  88  GLU GLU A . n 
A 1 89  ALA 89  89  89  ALA ALA A . n 
A 1 90  ILE 90  90  90  ILE ILE A . n 
A 1 91  TYR 91  91  91  TYR TYR A . n 
A 1 92  PHE 92  92  92  PHE PHE A . n 
A 1 93  CYS 93  93  93  CYS CYS A . n 
A 1 94  ALA 94  94  94  ALA ALA A . n 
A 1 95  LEU 95  95  95  LEU LEU A . n 
A 1 96  TRP 96  96  96  TRP TRP A . n 
A 1 97  TYR 97  97  97  TYR TYR A . n 
A 1 98  SER 98  98  98  SER SER A . n 
A 1 99  ASN 99  99  99  ASN ASN A . n 
A 1 100 HIS 100 100 100 HIS HIS A . n 
A 1 101 TRP 101 101 101 TRP TRP A . n 
A 1 102 VAL 102 102 102 VAL VAL A . n 
A 1 103 PHE 103 103 103 PHE PHE A . n 
A 1 104 GLY 104 104 104 GLY GLY A . n 
A 1 105 GLY 105 105 105 GLY GLY A . n 
A 1 106 GLY 106 106 106 GLY GLY A . n 
A 1 107 THR 107 107 107 THR THR A . n 
A 1 108 LYS 108 108 108 LYS LYS A . n 
A 1 109 LEU 109 109 109 LEU LEU A . n 
A 1 110 THR 110 110 110 THR THR A . n 
A 1 111 VAL 111 111 111 VAL VAL A . n 
A 1 112 LEU 112 112 112 LEU LEU A . n 
A 1 113 GLY 113 113 113 GLY GLY A . n 
A 1 114 GLN 114 114 114 GLN GLN A . n 
A 1 115 GLY 115 115 115 GLY GLY A . n 
A 1 116 GLY 116 116 ?   ?   ?   A . n 
A 1 117 GLY 117 117 ?   ?   ?   A . n 
A 1 118 GLY 118 118 ?   ?   ?   A . n 
A 1 119 SER 119 119 ?   ?   ?   A . n 
A 1 120 GLY 120 120 ?   ?   ?   A . n 
A 1 121 GLY 121 121 ?   ?   ?   A . n 
A 1 122 GLY 122 122 ?   ?   ?   A . n 
A 1 123 GLY 123 123 ?   ?   ?   A . n 
A 1 124 SER 124 124 ?   ?   ?   A . n 
A 1 125 GLY 125 125 ?   ?   ?   A . n 
A 1 126 GLY 126 126 ?   ?   ?   A . n 
A 1 127 GLY 127 127 ?   ?   ?   A . n 
A 1 128 GLY 128 128 128 GLY GLY A . n 
A 1 129 SER 129 129 129 SER SER A . n 
A 1 130 GLN 130 130 130 GLN GLN A . n 
A 1 131 VAL 131 131 131 VAL VAL A . n 
A 1 132 GLN 132 132 132 GLN GLN A . n 
A 1 133 LEU 133 133 133 LEU LEU A . n 
A 1 134 GLN 134 134 134 GLN GLN A . n 
A 1 135 GLN 135 135 135 GLN GLN A . n 
A 1 136 PRO 136 136 136 PRO PRO A . n 
A 1 137 GLY 137 137 137 GLY GLY A . n 
A 1 138 ALA 138 138 138 ALA ALA A . n 
A 1 139 GLU 139 139 139 GLU GLU A . n 
A 1 140 LEU 140 140 140 LEU LEU A . n 
A 1 141 ALA 141 141 141 ALA ALA A . n 
A 1 142 LYS 142 142 142 LYS LYS A . n 
A 1 143 PRO 143 143 143 PRO PRO A . n 
A 1 144 GLY 144 144 144 GLY GLY A . n 
A 1 145 ALA 145 145 145 ALA ALA A . n 
A 1 146 SER 146 146 146 SER SER A . n 
A 1 147 VAL 147 147 147 VAL VAL A . n 
A 1 148 GLN 148 148 148 GLN GLN A . n 
A 1 149 LEU 149 149 149 LEU LEU A . n 
A 1 150 SER 150 150 150 SER SER A . n 
A 1 151 CYS 151 151 151 CYS CYS A . n 
A 1 152 LYS 152 152 152 LYS LYS A . n 
A 1 153 GLY 153 153 153 GLY GLY A . n 
A 1 154 SER 154 154 154 SER SER A . n 
A 1 155 GLY 155 155 155 GLY GLY A . n 
A 1 156 TYR 156 156 156 TYR TYR A . n 
A 1 157 THR 157 157 157 THR THR A . n 
A 1 158 PHE 158 158 158 PHE PHE A . n 
A 1 159 PRO 159 159 159 PRO PRO A . n 
A 1 160 ASN 160 160 160 ASN ASN A . n 
A 1 161 TYR 161 161 161 TYR TYR A . n 
A 1 162 TRP 162 162 162 TRP TRP A . n 
A 1 163 MET 163 163 163 MET MET A . n 
A 1 164 HIS 164 164 164 HIS HIS A . n 
A 1 165 TRP 165 165 165 TRP TRP A . n 
A 1 166 VAL 166 166 166 VAL VAL A . n 
A 1 167 THR 167 167 167 THR THR A . n 
A 1 168 GLN 168 168 168 GLN GLN A . n 
A 1 169 ARG 169 169 169 ARG ARG A . n 
A 1 170 PRO 170 170 170 PRO PRO A . n 
A 1 171 GLY 171 171 171 GLY GLY A . n 
A 1 172 ARG 172 172 172 ARG ARG A . n 
A 1 173 GLY 173 173 173 GLY GLY A . n 
A 1 174 LEU 174 174 174 LEU LEU A . n 
A 1 175 GLU 175 175 175 GLU GLU A . n 
A 1 176 TRP 176 176 176 TRP TRP A . n 
A 1 177 ILE 177 177 177 ILE ILE A . n 
A 1 178 GLY 178 178 178 GLY GLY A . n 
A 1 179 ARG 179 179 179 ARG ARG A . n 
A 1 180 ILE 180 180 180 ILE ILE A . n 
A 1 181 ASP 181 181 181 ASP ASP A . n 
A 1 182 PRO 182 182 182 PRO PRO A . n 
A 1 183 ASN 183 183 183 ASN ASN A . n 
A 1 184 SER 184 184 184 SER SER A . n 
A 1 185 GLY 185 185 185 GLY GLY A . n 
A 1 186 PHE 186 186 186 PHE PHE A . n 
A 1 187 ILE 187 187 187 ILE ILE A . n 
A 1 188 ARG 188 188 188 ARG ARG A . n 
A 1 189 TYR 189 189 189 TYR TYR A . n 
A 1 190 ASP 190 190 190 ASP ASP A . n 
A 1 191 GLU 191 191 191 GLU GLU A . n 
A 1 192 ARG 192 192 192 ARG ARG A . n 
A 1 193 PHE 193 193 193 PHE PHE A . n 
A 1 194 LYS 194 194 194 LYS LYS A . n 
A 1 195 THR 195 195 195 THR THR A . n 
A 1 196 LYS 196 196 196 LYS LYS A . n 
A 1 197 ALA 197 197 197 ALA ALA A . n 
A 1 198 THR 198 198 198 THR THR A . n 
A 1 199 LEU 199 199 199 LEU LEU A . n 
A 1 200 THR 200 200 200 THR THR A . n 
A 1 201 VAL 201 201 201 VAL VAL A . n 
A 1 202 ASP 202 202 202 ASP ASP A . n 
A 1 203 LYS 203 203 203 LYS LYS A . n 
A 1 204 PRO 204 204 204 PRO PRO A . n 
A 1 205 SER 205 205 205 SER SER A . n 
A 1 206 SER 206 206 206 SER SER A . n 
A 1 207 THR 207 207 207 THR THR A . n 
A 1 208 ALA 208 208 208 ALA ALA A . n 
A 1 209 TYR 209 209 209 TYR TYR A . n 
A 1 210 MET 210 210 210 MET MET A . n 
A 1 211 GLN 211 211 211 GLN GLN A . n 
A 1 212 LEU 212 212 212 LEU LEU A . n 
A 1 213 SER 213 213 213 SER SER A . n 
A 1 214 SER 214 214 214 SER SER A . n 
A 1 215 LEU 215 215 215 LEU LEU A . n 
A 1 216 THR 216 216 216 THR THR A . n 
A 1 217 SER 217 217 217 SER SER A . n 
A 1 218 ASP 218 218 218 ASP ASP A . n 
A 1 219 ASP 219 219 219 ASP ASP A . n 
A 1 220 SER 220 220 220 SER SER A . n 
A 1 221 ALA 221 221 221 ALA ALA A . n 
A 1 222 VAL 222 222 222 VAL VAL A . n 
A 1 223 TYR 223 223 223 TYR TYR A . n 
A 1 224 PHE 224 224 224 PHE PHE A . n 
A 1 225 CYS 225 225 225 CYS CYS A . n 
A 1 226 ALA 226 226 226 ALA ALA A . n 
A 1 227 ARG 227 227 227 ARG ARG A . n 
A 1 228 GLY 228 228 228 GLY GLY A . n 
A 1 229 CYS 229 229 229 CYS CYS A . n 
A 1 230 TYR 230 230 230 TYR TYR A . n 
A 1 231 GLY 231 231 231 GLY GLY A . n 
A 1 232 CYS 232 232 232 CYS CYS A . n 
A 1 233 ILE 233 233 233 ILE ILE A . n 
A 1 234 HIS 234 234 234 HIS HIS A . n 
A 1 235 PHE 235 235 235 PHE PHE A . n 
A 1 236 ASP 236 236 236 ASP ASP A . n 
A 1 237 TYR 237 237 237 TYR TYR A . n 
A 1 238 TRP 238 238 238 TRP TRP A . n 
A 1 239 GLY 239 239 239 GLY GLY A . n 
A 1 240 GLN 240 240 240 GLN GLN A . n 
A 1 241 GLY 241 241 241 GLY GLY A . n 
A 1 242 THR 242 242 242 THR THR A . n 
A 1 243 THR 243 243 243 THR THR A . n 
A 1 244 LEU 244 244 244 LEU LEU A . n 
A 1 245 THR 245 245 245 THR THR A . n 
A 1 246 VAL 246 246 246 VAL VAL A . n 
A 1 247 SER 247 247 247 SER SER A . n 
A 1 248 SER 248 248 248 SER SER A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 A1LZO 1   401 401 A1LZO LIG A . 
C 3 GOL   1   402 501 GOL   GOL A . 
D 3 GOL   1   403 502 GOL   GOL A . 
E 3 GOL   1   404 503 GOL   GOL A . 
F 4 EPE   1   405 601 EPE   EPE A . 
G 5 HOH   1   501 336 HOH   HOH A . 
G 5 HOH   2   502 296 HOH   HOH A . 
G 5 HOH   3   503 317 HOH   HOH A . 
G 5 HOH   4   504 337 HOH   HOH A . 
G 5 HOH   5   505 219 HOH   HOH A . 
G 5 HOH   6   506 245 HOH   HOH A . 
G 5 HOH   7   507 309 HOH   HOH A . 
G 5 HOH   8   508 90  HOH   HOH A . 
G 5 HOH   9   509 291 HOH   HOH A . 
G 5 HOH   10  510 35  HOH   HOH A . 
G 5 HOH   11  511 48  HOH   HOH A . 
G 5 HOH   12  512 298 HOH   HOH A . 
G 5 HOH   13  513 331 HOH   HOH A . 
G 5 HOH   14  514 83  HOH   HOH A . 
G 5 HOH   15  515 140 HOH   HOH A . 
G 5 HOH   16  516 328 HOH   HOH A . 
G 5 HOH   17  517 19  HOH   HOH A . 
G 5 HOH   18  518 211 HOH   HOH A . 
G 5 HOH   19  519 226 HOH   HOH A . 
G 5 HOH   20  520 307 HOH   HOH A . 
G 5 HOH   21  521 201 HOH   HOH A . 
G 5 HOH   22  522 319 HOH   HOH A . 
G 5 HOH   23  523 210 HOH   HOH A . 
G 5 HOH   24  524 150 HOH   HOH A . 
G 5 HOH   25  525 121 HOH   HOH A . 
G 5 HOH   26  526 222 HOH   HOH A . 
G 5 HOH   27  527 87  HOH   HOH A . 
G 5 HOH   28  528 26  HOH   HOH A . 
G 5 HOH   29  529 187 HOH   HOH A . 
G 5 HOH   30  530 194 HOH   HOH A . 
G 5 HOH   31  531 139 HOH   HOH A . 
G 5 HOH   32  532 36  HOH   HOH A . 
G 5 HOH   33  533 126 HOH   HOH A . 
G 5 HOH   34  534 102 HOH   HOH A . 
G 5 HOH   35  535 269 HOH   HOH A . 
G 5 HOH   36  536 275 HOH   HOH A . 
G 5 HOH   37  537 279 HOH   HOH A . 
G 5 HOH   38  538 64  HOH   HOH A . 
G 5 HOH   39  539 32  HOH   HOH A . 
G 5 HOH   40  540 205 HOH   HOH A . 
G 5 HOH   41  541 3   HOH   HOH A . 
G 5 HOH   42  542 79  HOH   HOH A . 
G 5 HOH   43  543 104 HOH   HOH A . 
G 5 HOH   44  544 155 HOH   HOH A . 
G 5 HOH   45  545 128 HOH   HOH A . 
G 5 HOH   46  546 165 HOH   HOH A . 
G 5 HOH   47  547 31  HOH   HOH A . 
G 5 HOH   48  548 17  HOH   HOH A . 
G 5 HOH   49  549 72  HOH   HOH A . 
G 5 HOH   50  550 145 HOH   HOH A . 
G 5 HOH   51  551 116 HOH   HOH A . 
G 5 HOH   52  552 158 HOH   HOH A . 
G 5 HOH   53  553 277 HOH   HOH A . 
G 5 HOH   54  554 73  HOH   HOH A . 
G 5 HOH   55  555 62  HOH   HOH A . 
G 5 HOH   56  556 10  HOH   HOH A . 
G 5 HOH   57  557 182 HOH   HOH A . 
G 5 HOH   58  558 27  HOH   HOH A . 
G 5 HOH   59  559 164 HOH   HOH A . 
G 5 HOH   60  560 46  HOH   HOH A . 
G 5 HOH   61  561 50  HOH   HOH A . 
G 5 HOH   62  562 221 HOH   HOH A . 
G 5 HOH   63  563 125 HOH   HOH A . 
G 5 HOH   64  564 225 HOH   HOH A . 
G 5 HOH   65  565 183 HOH   HOH A . 
G 5 HOH   66  566 94  HOH   HOH A . 
G 5 HOH   67  567 11  HOH   HOH A . 
G 5 HOH   68  568 101 HOH   HOH A . 
G 5 HOH   69  569 119 HOH   HOH A . 
G 5 HOH   70  570 71  HOH   HOH A . 
G 5 HOH   71  571 122 HOH   HOH A . 
G 5 HOH   72  572 297 HOH   HOH A . 
G 5 HOH   73  573 109 HOH   HOH A . 
G 5 HOH   74  574 247 HOH   HOH A . 
G 5 HOH   75  575 59  HOH   HOH A . 
G 5 HOH   76  576 91  HOH   HOH A . 
G 5 HOH   77  577 224 HOH   HOH A . 
G 5 HOH   78  578 160 HOH   HOH A . 
G 5 HOH   79  579 100 HOH   HOH A . 
G 5 HOH   80  580 246 HOH   HOH A . 
G 5 HOH   81  581 33  HOH   HOH A . 
G 5 HOH   82  582 1   HOH   HOH A . 
G 5 HOH   83  583 30  HOH   HOH A . 
G 5 HOH   84  584 301 HOH   HOH A . 
G 5 HOH   85  585 300 HOH   HOH A . 
G 5 HOH   86  586 57  HOH   HOH A . 
G 5 HOH   87  587 29  HOH   HOH A . 
G 5 HOH   88  588 93  HOH   HOH A . 
G 5 HOH   89  589 6   HOH   HOH A . 
G 5 HOH   90  590 28  HOH   HOH A . 
G 5 HOH   91  591 60  HOH   HOH A . 
G 5 HOH   92  592 86  HOH   HOH A . 
G 5 HOH   93  593 96  HOH   HOH A . 
G 5 HOH   94  594 112 HOH   HOH A . 
G 5 HOH   95  595 147 HOH   HOH A . 
G 5 HOH   96  596 58  HOH   HOH A . 
G 5 HOH   97  597 67  HOH   HOH A . 
G 5 HOH   98  598 196 HOH   HOH A . 
G 5 HOH   99  599 316 HOH   HOH A . 
G 5 HOH   100 600 195 HOH   HOH A . 
G 5 HOH   101 601 82  HOH   HOH A . 
G 5 HOH   102 602 98  HOH   HOH A . 
G 5 HOH   103 603 42  HOH   HOH A . 
G 5 HOH   104 604 124 HOH   HOH A . 
G 5 HOH   105 605 248 HOH   HOH A . 
G 5 HOH   106 606 88  HOH   HOH A . 
G 5 HOH   107 607 20  HOH   HOH A . 
G 5 HOH   108 608 43  HOH   HOH A . 
G 5 HOH   109 609 8   HOH   HOH A . 
G 5 HOH   110 610 250 HOH   HOH A . 
G 5 HOH   111 611 208 HOH   HOH A . 
G 5 HOH   112 612 242 HOH   HOH A . 
G 5 HOH   113 613 294 HOH   HOH A . 
G 5 HOH   114 614 281 HOH   HOH A . 
G 5 HOH   115 615 9   HOH   HOH A . 
G 5 HOH   116 616 34  HOH   HOH A . 
G 5 HOH   117 617 327 HOH   HOH A . 
G 5 HOH   118 618 21  HOH   HOH A . 
G 5 HOH   119 619 236 HOH   HOH A . 
G 5 HOH   120 620 142 HOH   HOH A . 
G 5 HOH   121 621 80  HOH   HOH A . 
G 5 HOH   122 622 262 HOH   HOH A . 
G 5 HOH   123 623 2   HOH   HOH A . 
G 5 HOH   124 624 45  HOH   HOH A . 
G 5 HOH   125 625 111 HOH   HOH A . 
G 5 HOH   126 626 61  HOH   HOH A . 
G 5 HOH   127 627 310 HOH   HOH A . 
G 5 HOH   128 628 105 HOH   HOH A . 
G 5 HOH   129 629 68  HOH   HOH A . 
G 5 HOH   130 630 218 HOH   HOH A . 
G 5 HOH   131 631 75  HOH   HOH A . 
G 5 HOH   132 632 5   HOH   HOH A . 
G 5 HOH   133 633 138 HOH   HOH A . 
G 5 HOH   134 634 69  HOH   HOH A . 
G 5 HOH   135 635 267 HOH   HOH A . 
G 5 HOH   136 636 295 HOH   HOH A . 
G 5 HOH   137 637 25  HOH   HOH A . 
G 5 HOH   138 638 189 HOH   HOH A . 
G 5 HOH   139 639 44  HOH   HOH A . 
G 5 HOH   140 640 39  HOH   HOH A . 
G 5 HOH   141 641 56  HOH   HOH A . 
G 5 HOH   142 642 47  HOH   HOH A . 
G 5 HOH   143 643 54  HOH   HOH A . 
G 5 HOH   144 644 123 HOH   HOH A . 
G 5 HOH   145 645 13  HOH   HOH A . 
G 5 HOH   146 646 37  HOH   HOH A . 
G 5 HOH   147 647 52  HOH   HOH A . 
G 5 HOH   148 648 76  HOH   HOH A . 
G 5 HOH   149 649 162 HOH   HOH A . 
G 5 HOH   150 650 40  HOH   HOH A . 
G 5 HOH   151 651 312 HOH   HOH A . 
G 5 HOH   152 652 89  HOH   HOH A . 
G 5 HOH   153 653 333 HOH   HOH A . 
G 5 HOH   154 654 168 HOH   HOH A . 
G 5 HOH   155 655 144 HOH   HOH A . 
G 5 HOH   156 656 7   HOH   HOH A . 
G 5 HOH   157 657 286 HOH   HOH A . 
G 5 HOH   158 658 4   HOH   HOH A . 
G 5 HOH   159 659 135 HOH   HOH A . 
G 5 HOH   160 660 159 HOH   HOH A . 
G 5 HOH   161 661 260 HOH   HOH A . 
G 5 HOH   162 662 304 HOH   HOH A . 
G 5 HOH   163 663 299 HOH   HOH A . 
G 5 HOH   164 664 207 HOH   HOH A . 
G 5 HOH   165 665 270 HOH   HOH A . 
G 5 HOH   166 666 193 HOH   HOH A . 
G 5 HOH   167 667 134 HOH   HOH A . 
G 5 HOH   168 668 110 HOH   HOH A . 
G 5 HOH   169 669 177 HOH   HOH A . 
G 5 HOH   170 670 24  HOH   HOH A . 
G 5 HOH   171 671 313 HOH   HOH A . 
G 5 HOH   172 672 133 HOH   HOH A . 
G 5 HOH   173 673 153 HOH   HOH A . 
G 5 HOH   174 674 51  HOH   HOH A . 
G 5 HOH   175 675 120 HOH   HOH A . 
G 5 HOH   176 676 238 HOH   HOH A . 
G 5 HOH   177 677 49  HOH   HOH A . 
G 5 HOH   178 678 141 HOH   HOH A . 
G 5 HOH   179 679 18  HOH   HOH A . 
G 5 HOH   180 680 167 HOH   HOH A . 
G 5 HOH   181 681 131 HOH   HOH A . 
G 5 HOH   182 682 136 HOH   HOH A . 
G 5 HOH   183 683 220 HOH   HOH A . 
G 5 HOH   184 684 55  HOH   HOH A . 
G 5 HOH   185 685 322 HOH   HOH A . 
G 5 HOH   186 686 77  HOH   HOH A . 
G 5 HOH   187 687 284 HOH   HOH A . 
G 5 HOH   188 688 117 HOH   HOH A . 
G 5 HOH   189 689 223 HOH   HOH A . 
G 5 HOH   190 690 66  HOH   HOH A . 
G 5 HOH   191 691 325 HOH   HOH A . 
G 5 HOH   192 692 38  HOH   HOH A . 
G 5 HOH   193 693 14  HOH   HOH A . 
G 5 HOH   194 694 65  HOH   HOH A . 
G 5 HOH   195 695 53  HOH   HOH A . 
G 5 HOH   196 696 74  HOH   HOH A . 
G 5 HOH   197 697 85  HOH   HOH A . 
G 5 HOH   198 698 23  HOH   HOH A . 
G 5 HOH   199 699 143 HOH   HOH A . 
G 5 HOH   200 700 229 HOH   HOH A . 
G 5 HOH   201 701 166 HOH   HOH A . 
G 5 HOH   202 702 199 HOH   HOH A . 
G 5 HOH   203 703 239 HOH   HOH A . 
G 5 HOH   204 704 115 HOH   HOH A . 
G 5 HOH   205 705 16  HOH   HOH A . 
G 5 HOH   206 706 200 HOH   HOH A . 
G 5 HOH   207 707 240 HOH   HOH A . 
G 5 HOH   208 708 118 HOH   HOH A . 
G 5 HOH   209 709 132 HOH   HOH A . 
G 5 HOH   210 710 22  HOH   HOH A . 
G 5 HOH   211 711 259 HOH   HOH A . 
G 5 HOH   212 712 253 HOH   HOH A . 
G 5 HOH   213 713 237 HOH   HOH A . 
G 5 HOH   214 714 321 HOH   HOH A . 
G 5 HOH   215 715 106 HOH   HOH A . 
G 5 HOH   216 716 241 HOH   HOH A . 
G 5 HOH   217 717 202 HOH   HOH A . 
G 5 HOH   218 718 15  HOH   HOH A . 
G 5 HOH   219 719 113 HOH   HOH A . 
G 5 HOH   220 720 152 HOH   HOH A . 
G 5 HOH   221 721 188 HOH   HOH A . 
G 5 HOH   222 722 292 HOH   HOH A . 
G 5 HOH   223 723 78  HOH   HOH A . 
G 5 HOH   224 724 108 HOH   HOH A . 
G 5 HOH   225 725 204 HOH   HOH A . 
G 5 HOH   226 726 70  HOH   HOH A . 
G 5 HOH   227 727 289 HOH   HOH A . 
G 5 HOH   228 728 265 HOH   HOH A . 
G 5 HOH   229 729 146 HOH   HOH A . 
G 5 HOH   230 730 280 HOH   HOH A . 
G 5 HOH   231 731 203 HOH   HOH A . 
G 5 HOH   232 732 192 HOH   HOH A . 
G 5 HOH   233 733 302 HOH   HOH A . 
G 5 HOH   234 734 81  HOH   HOH A . 
G 5 HOH   235 735 156 HOH   HOH A . 
G 5 HOH   236 736 149 HOH   HOH A . 
G 5 HOH   237 737 271 HOH   HOH A . 
G 5 HOH   238 738 234 HOH   HOH A . 
G 5 HOH   239 739 228 HOH   HOH A . 
G 5 HOH   240 740 185 HOH   HOH A . 
G 5 HOH   241 741 215 HOH   HOH A . 
G 5 HOH   242 742 92  HOH   HOH A . 
G 5 HOH   243 743 273 HOH   HOH A . 
G 5 HOH   244 744 97  HOH   HOH A . 
G 5 HOH   245 745 293 HOH   HOH A . 
G 5 HOH   246 746 172 HOH   HOH A . 
G 5 HOH   247 747 308 HOH   HOH A . 
G 5 HOH   248 748 129 HOH   HOH A . 
G 5 HOH   249 749 114 HOH   HOH A . 
G 5 HOH   250 750 320 HOH   HOH A . 
G 5 HOH   251 751 12  HOH   HOH A . 
G 5 HOH   252 752 324 HOH   HOH A . 
G 5 HOH   253 753 190 HOH   HOH A . 
G 5 HOH   254 754 330 HOH   HOH A . 
G 5 HOH   255 755 305 HOH   HOH A . 
G 5 HOH   256 756 323 HOH   HOH A . 
G 5 HOH   257 757 315 HOH   HOH A . 
G 5 HOH   258 758 282 HOH   HOH A . 
G 5 HOH   259 759 263 HOH   HOH A . 
G 5 HOH   260 760 276 HOH   HOH A . 
G 5 HOH   261 761 243 HOH   HOH A . 
G 5 HOH   262 762 326 HOH   HOH A . 
G 5 HOH   263 763 258 HOH   HOH A . 
G 5 HOH   264 764 261 HOH   HOH A . 
G 5 HOH   265 765 329 HOH   HOH A . 
G 5 HOH   266 766 214 HOH   HOH A . 
G 5 HOH   267 767 161 HOH   HOH A . 
G 5 HOH   268 768 249 HOH   HOH A . 
G 5 HOH   269 769 303 HOH   HOH A . 
G 5 HOH   270 770 244 HOH   HOH A . 
G 5 HOH   271 771 268 HOH   HOH A . 
G 5 HOH   272 772 285 HOH   HOH A . 
G 5 HOH   273 773 314 HOH   HOH A . 
G 5 HOH   274 774 169 HOH   HOH A . 
G 5 HOH   275 775 198 HOH   HOH A . 
G 5 HOH   276 776 264 HOH   HOH A . 
G 5 HOH   277 777 107 HOH   HOH A . 
G 5 HOH   278 778 216 HOH   HOH A . 
G 5 HOH   279 779 179 HOH   HOH A . 
G 5 HOH   280 780 173 HOH   HOH A . 
G 5 HOH   281 781 255 HOH   HOH A . 
G 5 HOH   282 782 186 HOH   HOH A . 
G 5 HOH   283 783 184 HOH   HOH A . 
G 5 HOH   284 784 232 HOH   HOH A . 
G 5 HOH   285 785 266 HOH   HOH A . 
G 5 HOH   286 786 154 HOH   HOH A . 
G 5 HOH   287 787 206 HOH   HOH A . 
G 5 HOH   288 788 278 HOH   HOH A . 
G 5 HOH   289 789 127 HOH   HOH A . 
G 5 HOH   290 790 251 HOH   HOH A . 
G 5 HOH   291 791 84  HOH   HOH A . 
G 5 HOH   292 792 283 HOH   HOH A . 
G 5 HOH   293 793 227 HOH   HOH A . 
G 5 HOH   294 794 231 HOH   HOH A . 
G 5 HOH   295 795 287 HOH   HOH A . 
G 5 HOH   296 796 334 HOH   HOH A . 
G 5 HOH   297 797 233 HOH   HOH A . 
G 5 HOH   298 798 163 HOH   HOH A . 
G 5 HOH   299 799 63  HOH   HOH A . 
G 5 HOH   300 800 274 HOH   HOH A . 
G 5 HOH   301 801 318 HOH   HOH A . 
G 5 HOH   302 802 290 HOH   HOH A . 
G 5 HOH   303 803 148 HOH   HOH A . 
G 5 HOH   304 804 95  HOH   HOH A . 
G 5 HOH   305 805 157 HOH   HOH A . 
G 5 HOH   306 806 174 HOH   HOH A . 
G 5 HOH   307 807 209 HOH   HOH A . 
G 5 HOH   308 808 170 HOH   HOH A . 
G 5 HOH   309 809 311 HOH   HOH A . 
G 5 HOH   310 810 176 HOH   HOH A . 
G 5 HOH   311 811 332 HOH   HOH A . 
G 5 HOH   312 812 306 HOH   HOH A . 
G 5 HOH   313 813 235 HOH   HOH A . 
G 5 HOH   314 814 99  HOH   HOH A . 
G 5 HOH   315 815 181 HOH   HOH A . 
G 5 HOH   316 816 151 HOH   HOH A . 
G 5 HOH   317 817 256 HOH   HOH A . 
G 5 HOH   318 818 137 HOH   HOH A . 
G 5 HOH   319 819 180 HOH   HOH A . 
G 5 HOH   320 820 252 HOH   HOH A . 
G 5 HOH   321 821 254 HOH   HOH A . 
G 5 HOH   322 822 178 HOH   HOH A . 
G 5 HOH   323 823 213 HOH   HOH A . 
G 5 HOH   324 824 171 HOH   HOH A . 
G 5 HOH   325 825 191 HOH   HOH A . 
G 5 HOH   326 826 335 HOH   HOH A . 
G 5 HOH   327 827 197 HOH   HOH A . 
G 5 HOH   328 828 257 HOH   HOH A . 
G 5 HOH   329 829 103 HOH   HOH A . 
G 5 HOH   330 830 230 HOH   HOH A . 
G 5 HOH   331 831 288 HOH   HOH A . 
G 5 HOH   332 832 130 HOH   HOH A . 
G 5 HOH   333 833 41  HOH   HOH A . 
G 5 HOH   334 834 217 HOH   HOH A . 
G 5 HOH   335 835 212 HOH   HOH A . 
G 5 HOH   336 836 175 HOH   HOH A . 
G 5 HOH   337 837 272 HOH   HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? '(1.20.1_4487: ???)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .                    2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .                    4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8YTO 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     33.590 
_cell.length_a_esd                 ? 
_cell.length_b                     41.570 
_cell.length_b_esd                 ? 
_cell.length_c                     161.720 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         8YTO 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8YTO 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.16 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          43.01 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.1 M HEPES sodium pH 7.5, 10% v/v 2-propanol, 20% w/v polyethylene glycol 4000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-05-19 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.0 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'SPRING-8 BEAMLINE BL45XU' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.0 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL45XU 
_diffrn_source.pdbx_synchrotron_site       SPring-8 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8YTO 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.04 
_reflns.d_resolution_low                               50 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     109128 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.1 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                70.4 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          23.1 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.216 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.04 
_reflns_shell.d_res_low                                     1.10 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           8.8 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             15999 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               54.6 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.727 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          95.2 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.444 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8YTO 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.04 
_refine.ls_d_res_low                             40.43 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     108777 
_refine.ls_number_reflns_R_free                  5431 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.89 
_refine.ls_percent_reflns_R_free                 4.99 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1077 
_refine.ls_R_factor_R_free                       0.1236 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1068 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.33 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      6K4Z 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 9.82 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.06 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1790 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         51 
_refine_hist.number_atoms_solvent             337 
_refine_hist.number_atoms_total               2178 
_refine_hist.d_res_high                       1.04 
_refine_hist.d_res_low                        40.43 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.011  ? 2349 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.285  ? 3255 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 15.542 ? 886  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.093  ? 345  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.012  ? 426  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.04 1.05  . . 158 2990 87.00  . . . . 0.1775 . . . . . . . . . . . 0.2070 
'X-RAY DIFFRACTION' 1.05 1.06  . . 167 3193 93.00  . . . . 0.1509 . . . . . . . . . . . 0.1723 
'X-RAY DIFFRACTION' 1.06 1.08  . . 174 3293 96.00  . . . . 0.1165 . . . . . . . . . . . 0.1609 
'X-RAY DIFFRACTION' 1.08 1.09  . . 177 3379 97.00  . . . . 0.1043 . . . . . . . . . . . 0.1228 
'X-RAY DIFFRACTION' 1.09 1.11  . . 175 3350 99.00  . . . . 0.0984 . . . . . . . . . . . 0.1217 
'X-RAY DIFFRACTION' 1.11 1.12  . . 179 3402 97.00  . . . . 0.0938 . . . . . . . . . . . 0.1165 
'X-RAY DIFFRACTION' 1.12 1.14  . . 179 3413 100.00 . . . . 0.0953 . . . . . . . . . . . 0.1189 
'X-RAY DIFFRACTION' 1.14 1.15  . . 180 3433 100.00 . . . . 0.0966 . . . . . . . . . . . 0.1088 
'X-RAY DIFFRACTION' 1.15 1.17  . . 178 3384 99.00  . . . . 0.0909 . . . . . . . . . . . 0.1200 
'X-RAY DIFFRACTION' 1.17 1.19  . . 184 3478 100.00 . . . . 0.0910 . . . . . . . . . . . 0.1052 
'X-RAY DIFFRACTION' 1.19 1.21  . . 179 3424 100.00 . . . . 0.0874 . . . . . . . . . . . 0.1092 
'X-RAY DIFFRACTION' 1.21 1.23  . . 180 3455 100.00 . . . . 0.0882 . . . . . . . . . . . 0.1018 
'X-RAY DIFFRACTION' 1.23 1.26  . . 182 3432 100.00 . . . . 0.0911 . . . . . . . . . . . 0.1186 
'X-RAY DIFFRACTION' 1.26 1.28  . . 180 3445 100.00 . . . . 0.0913 . . . . . . . . . . . 0.1137 
'X-RAY DIFFRACTION' 1.28 1.31  . . 180 3457 100.00 . . . . 0.0894 . . . . . . . . . . . 0.1325 
'X-RAY DIFFRACTION' 1.31 1.34  . . 185 3508 100.00 . . . . 0.0889 . . . . . . . . . . . 0.1076 
'X-RAY DIFFRACTION' 1.34 1.37  . . 179 3401 100.00 . . . . 0.0848 . . . . . . . . . . . 0.1133 
'X-RAY DIFFRACTION' 1.37 1.41  . . 184 3496 100.00 . . . . 0.0817 . . . . . . . . . . . 0.0977 
'X-RAY DIFFRACTION' 1.41 1.45  . . 183 3462 100.00 . . . . 0.0844 . . . . . . . . . . . 0.0960 
'X-RAY DIFFRACTION' 1.45 1.50  . . 181 3449 100.00 . . . . 0.0846 . . . . . . . . . . . 0.1071 
'X-RAY DIFFRACTION' 1.50 1.55  . . 184 3480 100.00 . . . . 0.0864 . . . . . . . . . . . 0.1199 
'X-RAY DIFFRACTION' 1.55 1.62  . . 183 3510 100.00 . . . . 0.0889 . . . . . . . . . . . 0.1030 
'X-RAY DIFFRACTION' 1.62 1.69  . . 183 3489 100.00 . . . . 0.0895 . . . . . . . . . . . 0.1221 
'X-RAY DIFFRACTION' 1.69 1.78  . . 185 3497 100.00 . . . . 0.0941 . . . . . . . . . . . 0.1168 
'X-RAY DIFFRACTION' 1.78 1.89  . . 184 3506 100.00 . . . . 0.0977 . . . . . . . . . . . 0.1128 
'X-RAY DIFFRACTION' 1.89 2.04  . . 184 3500 100.00 . . . . 0.0979 . . . . . . . . . . . 0.1248 
'X-RAY DIFFRACTION' 2.04 2.24  . . 188 3568 100.00 . . . . 0.1101 . . . . . . . . . . . 0.1179 
'X-RAY DIFFRACTION' 2.24 2.56  . . 188 3566 100.00 . . . . 0.1208 . . . . . . . . . . . 0.1329 
'X-RAY DIFFRACTION' 2.56 3.23  . . 189 3591 100.00 . . . . 0.1314 . . . . . . . . . . . 0.1448 
'X-RAY DIFFRACTION' 3.23 40.43 . . 199 3795 100.00 . . . . 0.1391 . . . . . . . . . . . 0.1350 
# 
_struct.entry_id                     8YTO 
_struct.title                        'Single-chain Fv antibody of E11 complex with NP-glycine' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        8YTO 
_struct_keywords.text            'ANTIGEN BINDING, AFFINITY MATURATION, SOMATIC HYPERMUTATION, IMMUNE SYSTEM' 
_struct_keywords.pdbx_keywords   'IMMUNE SYSTEM' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 3 ? 
E N N 3 ? 
F N N 4 ? 
G N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    PDB 
_struct_ref.db_code                    8YTO 
_struct_ref.pdbx_db_accession          8YTO 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   ? 
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8YTO 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 248 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             8YTO 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  248 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       248 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ILE A 33  ? PHE A 37  ? ILE A 33  PHE A 37  5 ? 5 
HELX_P HELX_P2 AA2 GLN A 84  ? GLU A 88  ? GLN A 84  GLU A 88  5 ? 5 
HELX_P HELX_P3 AA3 THR A 157 ? TYR A 161 ? THR A 157 TYR A 161 5 ? 5 
HELX_P HELX_P4 AA4 THR A 216 ? SER A 220 ? THR A 216 SER A 220 5 ? 5 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 25  SG A ? ? 1_555 A CYS 93  SG A ? A CYS 25  A CYS 93  1_555 ? ? ? ? ? ? ? 2.056 ? ? 
disulf2 disulf ? ? A CYS 25  SG B ? ? 1_555 A CYS 93  SG B ? A CYS 25  A CYS 93  1_555 ? ? ? ? ? ? ? 2.033 ? ? 
disulf3 disulf ? ? A CYS 151 SG ? ? ? 1_555 A CYS 225 SG ? ? A CYS 151 A CYS 225 1_555 ? ? ? ? ? ? ? 2.041 ? ? 
disulf4 disulf ? ? A CYS 229 SG A ? ? 1_555 A CYS 232 SG A ? A CYS 229 A CYS 232 1_555 ? ? ? ? ? ? ? 2.031 ? ? 
disulf5 disulf ? ? A CYS 229 SG B ? ? 1_555 A CYS 232 SG B ? A CYS 229 A CYS 232 1_555 ? ? ? ? ? ? ? 2.016 ? ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 4 ? 
AA2 ? 6 ? 
AA3 ? 4 ? 
AA4 ? 4 ? 
AA5 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA2 1 2 ? parallel      
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA3 1 2 ? parallel      
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? anti-parallel 
AA4 3 4 ? anti-parallel 
AA5 1 2 ? parallel      
AA5 2 3 ? anti-parallel 
AA5 3 4 ? anti-parallel 
AA5 4 5 ? anti-parallel 
AA5 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 VAL A 7   ? GLN A 9   ? VAL A 7   GLN A 9   
AA1 2 THR A 20  ? SER A 27  ? THR A 20  SER A 27  
AA1 3 LYS A 75  ? THR A 81  ? LYS A 75  THR A 81  
AA1 4 PHE A 67  ? ILE A 72  ? PHE A 67  ILE A 72  
AA2 1 ALA A 12  ? THR A 15  ? ALA A 12  THR A 15  
AA2 2 THR A 107 ? VAL A 111 ? THR A 107 VAL A 111 
AA2 3 ALA A 89  ? TRP A 96  ? ALA A 89  TRP A 96  
AA2 4 SER A 39  ? LYS A 44  ? SER A 39  LYS A 44  
AA2 5 LEU A 48  ? GLY A 54  ? LEU A 48  GLY A 54  
AA2 6 ASN A 58  ? ARG A 59  ? ASN A 58  ARG A 59  
AA3 1 ALA A 12  ? THR A 15  ? ALA A 12  THR A 15  
AA3 2 THR A 107 ? VAL A 111 ? THR A 107 VAL A 111 
AA3 3 ALA A 89  ? TRP A 96  ? ALA A 89  TRP A 96  
AA3 4 TRP A 101 ? PHE A 103 ? TRP A 101 PHE A 103 
AA4 1 GLN A 132 ? GLN A 134 ? GLN A 132 GLN A 134 
AA4 2 VAL A 147 ? SER A 154 ? VAL A 147 SER A 154 
AA4 3 THR A 207 ? LEU A 212 ? THR A 207 LEU A 212 
AA4 4 ALA A 197 ? ASP A 202 ? ALA A 197 ASP A 202 
AA5 1 ALA A 138 ? ALA A 141 ? ALA A 138 ALA A 141 
AA5 2 THR A 242 ? VAL A 246 ? THR A 242 VAL A 246 
AA5 3 ALA A 221 ? GLY A 228 ? ALA A 221 GLY A 228 
AA5 4 TRP A 162 ? GLN A 168 ? TRP A 162 GLN A 168 
AA5 5 LEU A 174 ? ILE A 180 ? LEU A 174 ILE A 180 
AA5 6 ILE A 187 ? TYR A 189 ? ILE A 187 TYR A 189 
# 
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 THR A 8   ? N THR A 8   O ARG A 26  ? O ARG A 26  
AA1 2 3 N LEU A 23  ? N LEU A 23  O LEU A 78  ? O LEU A 78  
AA1 3 4 O VAL A 77  ? O VAL A 77  N SER A 70  ? N SER A 70  
AA2 1 2 N THR A 15  ? N THR A 15  O THR A 110 ? O THR A 110 
AA2 2 3 O LEU A 109 ? O LEU A 109 N ALA A 89  ? N ALA A 89  
AA2 3 4 O ILE A 90  ? O ILE A 90  N GLU A 43  ? N GLU A 43  
AA2 4 5 N TRP A 40  ? N TRP A 40  O LEU A 52  ? O LEU A 52  
AA2 5 6 N GLY A 54  ? N GLY A 54  O ASN A 58  ? O ASN A 58  
AA3 1 2 N THR A 15  ? N THR A 15  O THR A 110 ? O THR A 110 
AA3 2 3 O LEU A 109 ? O LEU A 109 N ALA A 89  ? N ALA A 89  
AA3 3 4 N LEU A 95  ? N LEU A 95  O VAL A 102 ? O VAL A 102 
AA4 1 2 N GLN A 132 ? N GLN A 132 O SER A 154 ? O SER A 154 
AA4 2 3 N CYS A 151 ? N CYS A 151 O ALA A 208 ? O ALA A 208 
AA4 3 4 O TYR A 209 ? O TYR A 209 N THR A 200 ? N THR A 200 
AA5 1 2 N GLU A 139 ? N GLU A 139 O THR A 243 ? O THR A 243 
AA5 2 3 O LEU A 244 ? O LEU A 244 N ALA A 221 ? N ALA A 221 
AA5 3 4 O ALA A 226 ? O ALA A 226 N HIS A 164 ? N HIS A 164 
AA5 4 5 N TRP A 165 ? N TRP A 165 O ILE A 177 ? O ILE A 177 
AA5 5 6 N ARG A 179 ? N ARG A 179 O ARG A 188 ? O ARG A 188 
# 
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 46  ? B 106.31  22.16   
2 1 HIS A 47  ? ? 38.82   51.80   
3 1 ASN A 56  ? ? 73.25   -44.91  
4 1 SER A 98  ? ? 71.50   -51.35  
5 1 SER A 98  ? ? 66.69   -46.22  
6 1 ASN A 99  ? ? -149.55 11.01   
7 1 ARG A 172 ? ? -117.30 -163.43 
# 
_pdbx_entry_details.entry_id                 8YTO 
_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         ? 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 835 ? 6.79 . 
2 1 O ? A HOH 836 ? 8.10 . 
3 1 O ? A HOH 837 ? 8.16 . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 116 ? A GLY 116 
2  1 Y 1 A GLY 117 ? A GLY 117 
3  1 Y 1 A GLY 118 ? A GLY 118 
4  1 Y 1 A SER 119 ? A SER 119 
5  1 Y 1 A GLY 120 ? A GLY 120 
6  1 Y 1 A GLY 121 ? A GLY 121 
7  1 Y 1 A GLY 122 ? A GLY 122 
8  1 Y 1 A GLY 123 ? A GLY 123 
9  1 Y 1 A SER 124 ? A SER 124 
10 1 Y 1 A GLY 125 ? A GLY 125 
11 1 Y 1 A GLY 126 ? A GLY 126 
12 1 Y 1 A GLY 127 ? A GLY 127 
# 
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 
A1LZO C10  C N N 1   
A1LZO N12  N N N 2   
A1LZO C01  C Y N 3   
A1LZO C02  C Y N 4   
A1LZO C03  C Y N 5   
A1LZO C04  C Y N 6   
A1LZO C05  C Y N 7   
A1LZO C06  C Y N 8   
A1LZO C08  C N N 9   
A1LZO C09  C N N 10  
A1LZO C18  C N N 11  
A1LZO N11  N N N 12  
A1LZO O07  O N N 13  
A1LZO O13  O N N 14  
A1LZO O14  O N N 15  
A1LZO O15  O N N 16  
A1LZO O16  O N N 17  
A1LZO O17  O N N 18  
A1LZO H121 H N N 19  
A1LZO H011 H N N 20  
A1LZO H041 H N N 21  
A1LZO H061 H N N 22  
A1LZO H091 H N N 23  
A1LZO H092 H N N 24  
A1LZO H182 H N N 25  
A1LZO H181 H N N 26  
A1LZO H071 H N N 27  
A1LZO H1   H N N 28  
ALA   N    N N N 29  
ALA   CA   C N S 30  
ALA   C    C N N 31  
ALA   O    O N N 32  
ALA   CB   C N N 33  
ALA   OXT  O N N 34  
ALA   H    H N N 35  
ALA   H2   H N N 36  
ALA   HA   H N N 37  
ALA   HB1  H N N 38  
ALA   HB2  H N N 39  
ALA   HB3  H N N 40  
ALA   HXT  H N N 41  
ARG   N    N N N 42  
ARG   CA   C N S 43  
ARG   C    C N N 44  
ARG   O    O N N 45  
ARG   CB   C N N 46  
ARG   CG   C N N 47  
ARG   CD   C N N 48  
ARG   NE   N N N 49  
ARG   CZ   C N N 50  
ARG   NH1  N N N 51  
ARG   NH2  N N N 52  
ARG   OXT  O N N 53  
ARG   H    H N N 54  
ARG   H2   H N N 55  
ARG   HA   H N N 56  
ARG   HB2  H N N 57  
ARG   HB3  H N N 58  
ARG   HG2  H N N 59  
ARG   HG3  H N N 60  
ARG   HD2  H N N 61  
ARG   HD3  H N N 62  
ARG   HE   H N N 63  
ARG   HH11 H N N 64  
ARG   HH12 H N N 65  
ARG   HH21 H N N 66  
ARG   HH22 H N N 67  
ARG   HXT  H N N 68  
ASN   N    N N N 69  
ASN   CA   C N S 70  
ASN   C    C N N 71  
ASN   O    O N N 72  
ASN   CB   C N N 73  
ASN   CG   C N N 74  
ASN   OD1  O N N 75  
ASN   ND2  N N N 76  
ASN   OXT  O N N 77  
ASN   H    H N N 78  
ASN   H2   H N N 79  
ASN   HA   H N N 80  
ASN   HB2  H N N 81  
ASN   HB3  H N N 82  
ASN   HD21 H N N 83  
ASN   HD22 H N N 84  
ASN   HXT  H N N 85  
ASP   N    N N N 86  
ASP   CA   C N S 87  
ASP   C    C N N 88  
ASP   O    O N N 89  
ASP   CB   C N N 90  
ASP   CG   C N N 91  
ASP   OD1  O N N 92  
ASP   OD2  O N N 93  
ASP   OXT  O N N 94  
ASP   H    H N N 95  
ASP   H2   H N N 96  
ASP   HA   H N N 97  
ASP   HB2  H N N 98  
ASP   HB3  H N N 99  
ASP   HD2  H N N 100 
ASP   HXT  H N N 101 
CYS   N    N N N 102 
CYS   CA   C N R 103 
CYS   C    C N N 104 
CYS   O    O N N 105 
CYS   CB   C N N 106 
CYS   SG   S N N 107 
CYS   OXT  O N N 108 
CYS   H    H N N 109 
CYS   H2   H N N 110 
CYS   HA   H N N 111 
CYS   HB2  H N N 112 
CYS   HB3  H N N 113 
CYS   HG   H N N 114 
CYS   HXT  H N N 115 
EPE   N1   N N N 116 
EPE   C2   C N N 117 
EPE   C3   C N N 118 
EPE   N4   N N N 119 
EPE   C5   C N N 120 
EPE   C6   C N N 121 
EPE   C7   C N N 122 
EPE   C8   C N N 123 
EPE   O8   O N N 124 
EPE   C9   C N N 125 
EPE   C10  C N N 126 
EPE   S    S N N 127 
EPE   O1S  O N N 128 
EPE   O2S  O N N 129 
EPE   O3S  O N N 130 
EPE   H21  H N N 131 
EPE   H22  H N N 132 
EPE   H31  H N N 133 
EPE   H32  H N N 134 
EPE   H51  H N N 135 
EPE   H52  H N N 136 
EPE   H61  H N N 137 
EPE   H62  H N N 138 
EPE   H71  H N N 139 
EPE   H72  H N N 140 
EPE   H81  H N N 141 
EPE   H82  H N N 142 
EPE   HO8  H N N 143 
EPE   H91  H N N 144 
EPE   H92  H N N 145 
EPE   H101 H N N 146 
EPE   H102 H N N 147 
EPE   HOS3 H N N 148 
GLN   N    N N N 149 
GLN   CA   C N S 150 
GLN   C    C N N 151 
GLN   O    O N N 152 
GLN   CB   C N N 153 
GLN   CG   C N N 154 
GLN   CD   C N N 155 
GLN   OE1  O N N 156 
GLN   NE2  N N N 157 
GLN   OXT  O N N 158 
GLN   H    H N N 159 
GLN   H2   H N N 160 
GLN   HA   H N N 161 
GLN   HB2  H N N 162 
GLN   HB3  H N N 163 
GLN   HG2  H N N 164 
GLN   HG3  H N N 165 
GLN   HE21 H N N 166 
GLN   HE22 H N N 167 
GLN   HXT  H N N 168 
GLU   N    N N N 169 
GLU   CA   C N S 170 
GLU   C    C N N 171 
GLU   O    O N N 172 
GLU   CB   C N N 173 
GLU   CG   C N N 174 
GLU   CD   C N N 175 
GLU   OE1  O N N 176 
GLU   OE2  O N N 177 
GLU   OXT  O N N 178 
GLU   H    H N N 179 
GLU   H2   H N N 180 
GLU   HA   H N N 181 
GLU   HB2  H N N 182 
GLU   HB3  H N N 183 
GLU   HG2  H N N 184 
GLU   HG3  H N N 185 
GLU   HE2  H N N 186 
GLU   HXT  H N N 187 
GLY   N    N N N 188 
GLY   CA   C N N 189 
GLY   C    C N N 190 
GLY   O    O N N 191 
GLY   OXT  O N N 192 
GLY   H    H N N 193 
GLY   H2   H N N 194 
GLY   HA2  H N N 195 
GLY   HA3  H N N 196 
GLY   HXT  H N N 197 
GOL   C1   C N N 198 
GOL   O1   O N N 199 
GOL   C2   C N N 200 
GOL   O2   O N N 201 
GOL   C3   C N N 202 
GOL   O3   O N N 203 
GOL   H11  H N N 204 
GOL   H12  H N N 205 
GOL   HO1  H N N 206 
GOL   H2   H N N 207 
GOL   HO2  H N N 208 
GOL   H31  H N N 209 
GOL   H32  H N N 210 
GOL   HO3  H N N 211 
HIS   N    N N N 212 
HIS   CA   C N S 213 
HIS   C    C N N 214 
HIS   O    O N N 215 
HIS   CB   C N N 216 
HIS   CG   C Y N 217 
HIS   ND1  N Y N 218 
HIS   CD2  C Y N 219 
HIS   CE1  C Y N 220 
HIS   NE2  N Y N 221 
HIS   OXT  O N N 222 
HIS   H    H N N 223 
HIS   H2   H N N 224 
HIS   HA   H N N 225 
HIS   HB2  H N N 226 
HIS   HB3  H N N 227 
HIS   HD1  H N N 228 
HIS   HD2  H N N 229 
HIS   HE1  H N N 230 
HIS   HE2  H N N 231 
HIS   HXT  H N N 232 
HOH   O    O N N 233 
HOH   H1   H N N 234 
HOH   H2   H N N 235 
ILE   N    N N N 236 
ILE   CA   C N S 237 
ILE   C    C N N 238 
ILE   O    O N N 239 
ILE   CB   C N S 240 
ILE   CG1  C N N 241 
ILE   CG2  C N N 242 
ILE   CD1  C N N 243 
ILE   OXT  O N N 244 
ILE   H    H N N 245 
ILE   H2   H N N 246 
ILE   HA   H N N 247 
ILE   HB   H N N 248 
ILE   HG12 H N N 249 
ILE   HG13 H N N 250 
ILE   HG21 H N N 251 
ILE   HG22 H N N 252 
ILE   HG23 H N N 253 
ILE   HD11 H N N 254 
ILE   HD12 H N N 255 
ILE   HD13 H N N 256 
ILE   HXT  H N N 257 
LEU   N    N N N 258 
LEU   CA   C N S 259 
LEU   C    C N N 260 
LEU   O    O N N 261 
LEU   CB   C N N 262 
LEU   CG   C N N 263 
LEU   CD1  C N N 264 
LEU   CD2  C N N 265 
LEU   OXT  O N N 266 
LEU   H    H N N 267 
LEU   H2   H N N 268 
LEU   HA   H N N 269 
LEU   HB2  H N N 270 
LEU   HB3  H N N 271 
LEU   HG   H N N 272 
LEU   HD11 H N N 273 
LEU   HD12 H N N 274 
LEU   HD13 H N N 275 
LEU   HD21 H N N 276 
LEU   HD22 H N N 277 
LEU   HD23 H N N 278 
LEU   HXT  H N N 279 
LYS   N    N N N 280 
LYS   CA   C N S 281 
LYS   C    C N N 282 
LYS   O    O N N 283 
LYS   CB   C N N 284 
LYS   CG   C N N 285 
LYS   CD   C N N 286 
LYS   CE   C N N 287 
LYS   NZ   N N N 288 
LYS   OXT  O N N 289 
LYS   H    H N N 290 
LYS   H2   H N N 291 
LYS   HA   H N N 292 
LYS   HB2  H N N 293 
LYS   HB3  H N N 294 
LYS   HG2  H N N 295 
LYS   HG3  H N N 296 
LYS   HD2  H N N 297 
LYS   HD3  H N N 298 
LYS   HE2  H N N 299 
LYS   HE3  H N N 300 
LYS   HZ1  H N N 301 
LYS   HZ2  H N N 302 
LYS   HZ3  H N N 303 
LYS   HXT  H N N 304 
MET   N    N N N 305 
MET   CA   C N S 306 
MET   C    C N N 307 
MET   O    O N N 308 
MET   CB   C N N 309 
MET   CG   C N N 310 
MET   SD   S N N 311 
MET   CE   C N N 312 
MET   OXT  O N N 313 
MET   H    H N N 314 
MET   H2   H N N 315 
MET   HA   H N N 316 
MET   HB2  H N N 317 
MET   HB3  H N N 318 
MET   HG2  H N N 319 
MET   HG3  H N N 320 
MET   HE1  H N N 321 
MET   HE2  H N N 322 
MET   HE3  H N N 323 
MET   HXT  H N N 324 
PHE   N    N N N 325 
PHE   CA   C N S 326 
PHE   C    C N N 327 
PHE   O    O N N 328 
PHE   CB   C N N 329 
PHE   CG   C Y N 330 
PHE   CD1  C Y N 331 
PHE   CD2  C Y N 332 
PHE   CE1  C Y N 333 
PHE   CE2  C Y N 334 
PHE   CZ   C Y N 335 
PHE   OXT  O N N 336 
PHE   H    H N N 337 
PHE   H2   H N N 338 
PHE   HA   H N N 339 
PHE   HB2  H N N 340 
PHE   HB3  H N N 341 
PHE   HD1  H N N 342 
PHE   HD2  H N N 343 
PHE   HE1  H N N 344 
PHE   HE2  H N N 345 
PHE   HZ   H N N 346 
PHE   HXT  H N N 347 
PRO   N    N N N 348 
PRO   CA   C N S 349 
PRO   C    C N N 350 
PRO   O    O N N 351 
PRO   CB   C N N 352 
PRO   CG   C N N 353 
PRO   CD   C N N 354 
PRO   OXT  O N N 355 
PRO   H    H N N 356 
PRO   HA   H N N 357 
PRO   HB2  H N N 358 
PRO   HB3  H N N 359 
PRO   HG2  H N N 360 
PRO   HG3  H N N 361 
PRO   HD2  H N N 362 
PRO   HD3  H N N 363 
PRO   HXT  H N N 364 
SER   N    N N N 365 
SER   CA   C N S 366 
SER   C    C N N 367 
SER   O    O N N 368 
SER   CB   C N N 369 
SER   OG   O N N 370 
SER   OXT  O N N 371 
SER   H    H N N 372 
SER   H2   H N N 373 
SER   HA   H N N 374 
SER   HB2  H N N 375 
SER   HB3  H N N 376 
SER   HG   H N N 377 
SER   HXT  H N N 378 
THR   N    N N N 379 
THR   CA   C N S 380 
THR   C    C N N 381 
THR   O    O N N 382 
THR   CB   C N R 383 
THR   OG1  O N N 384 
THR   CG2  C N N 385 
THR   OXT  O N N 386 
THR   H    H N N 387 
THR   H2   H N N 388 
THR   HA   H N N 389 
THR   HB   H N N 390 
THR   HG1  H N N 391 
THR   HG21 H N N 392 
THR   HG22 H N N 393 
THR   HG23 H N N 394 
THR   HXT  H N N 395 
TRP   N    N N N 396 
TRP   CA   C N S 397 
TRP   C    C N N 398 
TRP   O    O N N 399 
TRP   CB   C N N 400 
TRP   CG   C Y N 401 
TRP   CD1  C Y N 402 
TRP   CD2  C Y N 403 
TRP   NE1  N Y N 404 
TRP   CE2  C Y N 405 
TRP   CE3  C Y N 406 
TRP   CZ2  C Y N 407 
TRP   CZ3  C Y N 408 
TRP   CH2  C Y N 409 
TRP   OXT  O N N 410 
TRP   H    H N N 411 
TRP   H2   H N N 412 
TRP   HA   H N N 413 
TRP   HB2  H N N 414 
TRP   HB3  H N N 415 
TRP   HD1  H N N 416 
TRP   HE1  H N N 417 
TRP   HE3  H N N 418 
TRP   HZ2  H N N 419 
TRP   HZ3  H N N 420 
TRP   HH2  H N N 421 
TRP   HXT  H N N 422 
TYR   N    N N N 423 
TYR   CA   C N S 424 
TYR   C    C N N 425 
TYR   O    O N N 426 
TYR   CB   C N N 427 
TYR   CG   C Y N 428 
TYR   CD1  C Y N 429 
TYR   CD2  C Y N 430 
TYR   CE1  C Y N 431 
TYR   CE2  C Y N 432 
TYR   CZ   C Y N 433 
TYR   OH   O N N 434 
TYR   OXT  O N N 435 
TYR   H    H N N 436 
TYR   H2   H N N 437 
TYR   HA   H N N 438 
TYR   HB2  H N N 439 
TYR   HB3  H N N 440 
TYR   HD1  H N N 441 
TYR   HD2  H N N 442 
TYR   HE1  H N N 443 
TYR   HE2  H N N 444 
TYR   HH   H N N 445 
TYR   HXT  H N N 446 
VAL   N    N N N 447 
VAL   CA   C N S 448 
VAL   C    C N N 449 
VAL   O    O N N 450 
VAL   CB   C N N 451 
VAL   CG1  C N N 452 
VAL   CG2  C N N 453 
VAL   OXT  O N N 454 
VAL   H    H N N 455 
VAL   H2   H N N 456 
VAL   HA   H N N 457 
VAL   HB   H N N 458 
VAL   HG11 H N N 459 
VAL   HG12 H N N 460 
VAL   HG13 H N N 461 
VAL   HG21 H N N 462 
VAL   HG22 H N N 463 
VAL   HG23 H N N 464 
VAL   HXT  H N N 465 
# 
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 
A1LZO O07 C02  sing N N 1   
A1LZO O16 N11  doub N N 2   
A1LZO C02 C01  doub Y N 3   
A1LZO C02 C03  sing Y N 4   
A1LZO C01 C06  sing Y N 5   
A1LZO N11 C03  sing N N 6   
A1LZO N11 O15  doub N N 7   
A1LZO C03 C04  doub Y N 8   
A1LZO C06 C05  doub Y N 9   
A1LZO C04 C05  sing Y N 10  
A1LZO C05 C09  sing N N 11  
A1LZO C09 C10  sing N N 12  
A1LZO C10 O17  doub N N 13  
A1LZO C10 N12  sing N N 14  
A1LZO N12 C18  sing N N 15  
A1LZO C18 C08  sing N N 16  
A1LZO O13 C08  doub N N 17  
A1LZO C08 O14  sing N N 18  
A1LZO N12 H121 sing N N 19  
A1LZO C01 H011 sing N N 20  
A1LZO C04 H041 sing N N 21  
A1LZO C06 H061 sing N N 22  
A1LZO C09 H091 sing N N 23  
A1LZO C09 H092 sing N N 24  
A1LZO C18 H182 sing N N 25  
A1LZO C18 H181 sing N N 26  
A1LZO O07 H071 sing N N 27  
A1LZO O14 H1   sing N N 28  
ALA   N   CA   sing N N 29  
ALA   N   H    sing N N 30  
ALA   N   H2   sing N N 31  
ALA   CA  C    sing N N 32  
ALA   CA  CB   sing N N 33  
ALA   CA  HA   sing N N 34  
ALA   C   O    doub N N 35  
ALA   C   OXT  sing N N 36  
ALA   CB  HB1  sing N N 37  
ALA   CB  HB2  sing N N 38  
ALA   CB  HB3  sing N N 39  
ALA   OXT HXT  sing N N 40  
ARG   N   CA   sing N N 41  
ARG   N   H    sing N N 42  
ARG   N   H2   sing N N 43  
ARG   CA  C    sing N N 44  
ARG   CA  CB   sing N N 45  
ARG   CA  HA   sing N N 46  
ARG   C   O    doub N N 47  
ARG   C   OXT  sing N N 48  
ARG   CB  CG   sing N N 49  
ARG   CB  HB2  sing N N 50  
ARG   CB  HB3  sing N N 51  
ARG   CG  CD   sing N N 52  
ARG   CG  HG2  sing N N 53  
ARG   CG  HG3  sing N N 54  
ARG   CD  NE   sing N N 55  
ARG   CD  HD2  sing N N 56  
ARG   CD  HD3  sing N N 57  
ARG   NE  CZ   sing N N 58  
ARG   NE  HE   sing N N 59  
ARG   CZ  NH1  sing N N 60  
ARG   CZ  NH2  doub N N 61  
ARG   NH1 HH11 sing N N 62  
ARG   NH1 HH12 sing N N 63  
ARG   NH2 HH21 sing N N 64  
ARG   NH2 HH22 sing N N 65  
ARG   OXT HXT  sing N N 66  
ASN   N   CA   sing N N 67  
ASN   N   H    sing N N 68  
ASN   N   H2   sing N N 69  
ASN   CA  C    sing N N 70  
ASN   CA  CB   sing N N 71  
ASN   CA  HA   sing N N 72  
ASN   C   O    doub N N 73  
ASN   C   OXT  sing N N 74  
ASN   CB  CG   sing N N 75  
ASN   CB  HB2  sing N N 76  
ASN   CB  HB3  sing N N 77  
ASN   CG  OD1  doub N N 78  
ASN   CG  ND2  sing N N 79  
ASN   ND2 HD21 sing N N 80  
ASN   ND2 HD22 sing N N 81  
ASN   OXT HXT  sing N N 82  
ASP   N   CA   sing N N 83  
ASP   N   H    sing N N 84  
ASP   N   H2   sing N N 85  
ASP   CA  C    sing N N 86  
ASP   CA  CB   sing N N 87  
ASP   CA  HA   sing N N 88  
ASP   C   O    doub N N 89  
ASP   C   OXT  sing N N 90  
ASP   CB  CG   sing N N 91  
ASP   CB  HB2  sing N N 92  
ASP   CB  HB3  sing N N 93  
ASP   CG  OD1  doub N N 94  
ASP   CG  OD2  sing N N 95  
ASP   OD2 HD2  sing N N 96  
ASP   OXT HXT  sing N N 97  
CYS   N   CA   sing N N 98  
CYS   N   H    sing N N 99  
CYS   N   H2   sing N N 100 
CYS   CA  C    sing N N 101 
CYS   CA  CB   sing N N 102 
CYS   CA  HA   sing N N 103 
CYS   C   O    doub N N 104 
CYS   C   OXT  sing N N 105 
CYS   CB  SG   sing N N 106 
CYS   CB  HB2  sing N N 107 
CYS   CB  HB3  sing N N 108 
CYS   SG  HG   sing N N 109 
CYS   OXT HXT  sing N N 110 
EPE   N1  C2   sing N N 111 
EPE   N1  C6   sing N N 112 
EPE   N1  C9   sing N N 113 
EPE   C2  C3   sing N N 114 
EPE   C2  H21  sing N N 115 
EPE   C2  H22  sing N N 116 
EPE   C3  N4   sing N N 117 
EPE   C3  H31  sing N N 118 
EPE   C3  H32  sing N N 119 
EPE   N4  C5   sing N N 120 
EPE   N4  C7   sing N N 121 
EPE   C5  C6   sing N N 122 
EPE   C5  H51  sing N N 123 
EPE   C5  H52  sing N N 124 
EPE   C6  H61  sing N N 125 
EPE   C6  H62  sing N N 126 
EPE   C7  C8   sing N N 127 
EPE   C7  H71  sing N N 128 
EPE   C7  H72  sing N N 129 
EPE   C8  O8   sing N N 130 
EPE   C8  H81  sing N N 131 
EPE   C8  H82  sing N N 132 
EPE   O8  HO8  sing N N 133 
EPE   C9  C10  sing N N 134 
EPE   C9  H91  sing N N 135 
EPE   C9  H92  sing N N 136 
EPE   C10 S    sing N N 137 
EPE   C10 H101 sing N N 138 
EPE   C10 H102 sing N N 139 
EPE   S   O1S  doub N N 140 
EPE   S   O2S  doub N N 141 
EPE   S   O3S  sing N N 142 
EPE   O3S HOS3 sing N N 143 
GLN   N   CA   sing N N 144 
GLN   N   H    sing N N 145 
GLN   N   H2   sing N N 146 
GLN   CA  C    sing N N 147 
GLN   CA  CB   sing N N 148 
GLN   CA  HA   sing N N 149 
GLN   C   O    doub N N 150 
GLN   C   OXT  sing N N 151 
GLN   CB  CG   sing N N 152 
GLN   CB  HB2  sing N N 153 
GLN   CB  HB3  sing N N 154 
GLN   CG  CD   sing N N 155 
GLN   CG  HG2  sing N N 156 
GLN   CG  HG3  sing N N 157 
GLN   CD  OE1  doub N N 158 
GLN   CD  NE2  sing N N 159 
GLN   NE2 HE21 sing N N 160 
GLN   NE2 HE22 sing N N 161 
GLN   OXT HXT  sing N N 162 
GLU   N   CA   sing N N 163 
GLU   N   H    sing N N 164 
GLU   N   H2   sing N N 165 
GLU   CA  C    sing N N 166 
GLU   CA  CB   sing N N 167 
GLU   CA  HA   sing N N 168 
GLU   C   O    doub N N 169 
GLU   C   OXT  sing N N 170 
GLU   CB  CG   sing N N 171 
GLU   CB  HB2  sing N N 172 
GLU   CB  HB3  sing N N 173 
GLU   CG  CD   sing N N 174 
GLU   CG  HG2  sing N N 175 
GLU   CG  HG3  sing N N 176 
GLU   CD  OE1  doub N N 177 
GLU   CD  OE2  sing N N 178 
GLU   OE2 HE2  sing N N 179 
GLU   OXT HXT  sing N N 180 
GLY   N   CA   sing N N 181 
GLY   N   H    sing N N 182 
GLY   N   H2   sing N N 183 
GLY   CA  C    sing N N 184 
GLY   CA  HA2  sing N N 185 
GLY   CA  HA3  sing N N 186 
GLY   C   O    doub N N 187 
GLY   C   OXT  sing N N 188 
GLY   OXT HXT  sing N N 189 
GOL   C1  O1   sing N N 190 
GOL   C1  C2   sing N N 191 
GOL   C1  H11  sing N N 192 
GOL   C1  H12  sing N N 193 
GOL   O1  HO1  sing N N 194 
GOL   C2  O2   sing N N 195 
GOL   C2  C3   sing N N 196 
GOL   C2  H2   sing N N 197 
GOL   O2  HO2  sing N N 198 
GOL   C3  O3   sing N N 199 
GOL   C3  H31  sing N N 200 
GOL   C3  H32  sing N N 201 
GOL   O3  HO3  sing N N 202 
HIS   N   CA   sing N N 203 
HIS   N   H    sing N N 204 
HIS   N   H2   sing N N 205 
HIS   CA  C    sing N N 206 
HIS   CA  CB   sing N N 207 
HIS   CA  HA   sing N N 208 
HIS   C   O    doub N N 209 
HIS   C   OXT  sing N N 210 
HIS   CB  CG   sing N N 211 
HIS   CB  HB2  sing N N 212 
HIS   CB  HB3  sing N N 213 
HIS   CG  ND1  sing Y N 214 
HIS   CG  CD2  doub Y N 215 
HIS   ND1 CE1  doub Y N 216 
HIS   ND1 HD1  sing N N 217 
HIS   CD2 NE2  sing Y N 218 
HIS   CD2 HD2  sing N N 219 
HIS   CE1 NE2  sing Y N 220 
HIS   CE1 HE1  sing N N 221 
HIS   NE2 HE2  sing N N 222 
HIS   OXT HXT  sing N N 223 
HOH   O   H1   sing N N 224 
HOH   O   H2   sing N N 225 
ILE   N   CA   sing N N 226 
ILE   N   H    sing N N 227 
ILE   N   H2   sing N N 228 
ILE   CA  C    sing N N 229 
ILE   CA  CB   sing N N 230 
ILE   CA  HA   sing N N 231 
ILE   C   O    doub N N 232 
ILE   C   OXT  sing N N 233 
ILE   CB  CG1  sing N N 234 
ILE   CB  CG2  sing N N 235 
ILE   CB  HB   sing N N 236 
ILE   CG1 CD1  sing N N 237 
ILE   CG1 HG12 sing N N 238 
ILE   CG1 HG13 sing N N 239 
ILE   CG2 HG21 sing N N 240 
ILE   CG2 HG22 sing N N 241 
ILE   CG2 HG23 sing N N 242 
ILE   CD1 HD11 sing N N 243 
ILE   CD1 HD12 sing N N 244 
ILE   CD1 HD13 sing N N 245 
ILE   OXT HXT  sing N N 246 
LEU   N   CA   sing N N 247 
LEU   N   H    sing N N 248 
LEU   N   H2   sing N N 249 
LEU   CA  C    sing N N 250 
LEU   CA  CB   sing N N 251 
LEU   CA  HA   sing N N 252 
LEU   C   O    doub N N 253 
LEU   C   OXT  sing N N 254 
LEU   CB  CG   sing N N 255 
LEU   CB  HB2  sing N N 256 
LEU   CB  HB3  sing N N 257 
LEU   CG  CD1  sing N N 258 
LEU   CG  CD2  sing N N 259 
LEU   CG  HG   sing N N 260 
LEU   CD1 HD11 sing N N 261 
LEU   CD1 HD12 sing N N 262 
LEU   CD1 HD13 sing N N 263 
LEU   CD2 HD21 sing N N 264 
LEU   CD2 HD22 sing N N 265 
LEU   CD2 HD23 sing N N 266 
LEU   OXT HXT  sing N N 267 
LYS   N   CA   sing N N 268 
LYS   N   H    sing N N 269 
LYS   N   H2   sing N N 270 
LYS   CA  C    sing N N 271 
LYS   CA  CB   sing N N 272 
LYS   CA  HA   sing N N 273 
LYS   C   O    doub N N 274 
LYS   C   OXT  sing N N 275 
LYS   CB  CG   sing N N 276 
LYS   CB  HB2  sing N N 277 
LYS   CB  HB3  sing N N 278 
LYS   CG  CD   sing N N 279 
LYS   CG  HG2  sing N N 280 
LYS   CG  HG3  sing N N 281 
LYS   CD  CE   sing N N 282 
LYS   CD  HD2  sing N N 283 
LYS   CD  HD3  sing N N 284 
LYS   CE  NZ   sing N N 285 
LYS   CE  HE2  sing N N 286 
LYS   CE  HE3  sing N N 287 
LYS   NZ  HZ1  sing N N 288 
LYS   NZ  HZ2  sing N N 289 
LYS   NZ  HZ3  sing N N 290 
LYS   OXT HXT  sing N N 291 
MET   N   CA   sing N N 292 
MET   N   H    sing N N 293 
MET   N   H2   sing N N 294 
MET   CA  C    sing N N 295 
MET   CA  CB   sing N N 296 
MET   CA  HA   sing N N 297 
MET   C   O    doub N N 298 
MET   C   OXT  sing N N 299 
MET   CB  CG   sing N N 300 
MET   CB  HB2  sing N N 301 
MET   CB  HB3  sing N N 302 
MET   CG  SD   sing N N 303 
MET   CG  HG2  sing N N 304 
MET   CG  HG3  sing N N 305 
MET   SD  CE   sing N N 306 
MET   CE  HE1  sing N N 307 
MET   CE  HE2  sing N N 308 
MET   CE  HE3  sing N N 309 
MET   OXT HXT  sing N N 310 
PHE   N   CA   sing N N 311 
PHE   N   H    sing N N 312 
PHE   N   H2   sing N N 313 
PHE   CA  C    sing N N 314 
PHE   CA  CB   sing N N 315 
PHE   CA  HA   sing N N 316 
PHE   C   O    doub N N 317 
PHE   C   OXT  sing N N 318 
PHE   CB  CG   sing N N 319 
PHE   CB  HB2  sing N N 320 
PHE   CB  HB3  sing N N 321 
PHE   CG  CD1  doub Y N 322 
PHE   CG  CD2  sing Y N 323 
PHE   CD1 CE1  sing Y N 324 
PHE   CD1 HD1  sing N N 325 
PHE   CD2 CE2  doub Y N 326 
PHE   CD2 HD2  sing N N 327 
PHE   CE1 CZ   doub Y N 328 
PHE   CE1 HE1  sing N N 329 
PHE   CE2 CZ   sing Y N 330 
PHE   CE2 HE2  sing N N 331 
PHE   CZ  HZ   sing N N 332 
PHE   OXT HXT  sing N N 333 
PRO   N   CA   sing N N 334 
PRO   N   CD   sing N N 335 
PRO   N   H    sing N N 336 
PRO   CA  C    sing N N 337 
PRO   CA  CB   sing N N 338 
PRO   CA  HA   sing N N 339 
PRO   C   O    doub N N 340 
PRO   C   OXT  sing N N 341 
PRO   CB  CG   sing N N 342 
PRO   CB  HB2  sing N N 343 
PRO   CB  HB3  sing N N 344 
PRO   CG  CD   sing N N 345 
PRO   CG  HG2  sing N N 346 
PRO   CG  HG3  sing N N 347 
PRO   CD  HD2  sing N N 348 
PRO   CD  HD3  sing N N 349 
PRO   OXT HXT  sing N N 350 
SER   N   CA   sing N N 351 
SER   N   H    sing N N 352 
SER   N   H2   sing N N 353 
SER   CA  C    sing N N 354 
SER   CA  CB   sing N N 355 
SER   CA  HA   sing N N 356 
SER   C   O    doub N N 357 
SER   C   OXT  sing N N 358 
SER   CB  OG   sing N N 359 
SER   CB  HB2  sing N N 360 
SER   CB  HB3  sing N N 361 
SER   OG  HG   sing N N 362 
SER   OXT HXT  sing N N 363 
THR   N   CA   sing N N 364 
THR   N   H    sing N N 365 
THR   N   H2   sing N N 366 
THR   CA  C    sing N N 367 
THR   CA  CB   sing N N 368 
THR   CA  HA   sing N N 369 
THR   C   O    doub N N 370 
THR   C   OXT  sing N N 371 
THR   CB  OG1  sing N N 372 
THR   CB  CG2  sing N N 373 
THR   CB  HB   sing N N 374 
THR   OG1 HG1  sing N N 375 
THR   CG2 HG21 sing N N 376 
THR   CG2 HG22 sing N N 377 
THR   CG2 HG23 sing N N 378 
THR   OXT HXT  sing N N 379 
TRP   N   CA   sing N N 380 
TRP   N   H    sing N N 381 
TRP   N   H2   sing N N 382 
TRP   CA  C    sing N N 383 
TRP   CA  CB   sing N N 384 
TRP   CA  HA   sing N N 385 
TRP   C   O    doub N N 386 
TRP   C   OXT  sing N N 387 
TRP   CB  CG   sing N N 388 
TRP   CB  HB2  sing N N 389 
TRP   CB  HB3  sing N N 390 
TRP   CG  CD1  doub Y N 391 
TRP   CG  CD2  sing Y N 392 
TRP   CD1 NE1  sing Y N 393 
TRP   CD1 HD1  sing N N 394 
TRP   CD2 CE2  doub Y N 395 
TRP   CD2 CE3  sing Y N 396 
TRP   NE1 CE2  sing Y N 397 
TRP   NE1 HE1  sing N N 398 
TRP   CE2 CZ2  sing Y N 399 
TRP   CE3 CZ3  doub Y N 400 
TRP   CE3 HE3  sing N N 401 
TRP   CZ2 CH2  doub Y N 402 
TRP   CZ2 HZ2  sing N N 403 
TRP   CZ3 CH2  sing Y N 404 
TRP   CZ3 HZ3  sing N N 405 
TRP   CH2 HH2  sing N N 406 
TRP   OXT HXT  sing N N 407 
TYR   N   CA   sing N N 408 
TYR   N   H    sing N N 409 
TYR   N   H2   sing N N 410 
TYR   CA  C    sing N N 411 
TYR   CA  CB   sing N N 412 
TYR   CA  HA   sing N N 413 
TYR   C   O    doub N N 414 
TYR   C   OXT  sing N N 415 
TYR   CB  CG   sing N N 416 
TYR   CB  HB2  sing N N 417 
TYR   CB  HB3  sing N N 418 
TYR   CG  CD1  doub Y N 419 
TYR   CG  CD2  sing Y N 420 
TYR   CD1 CE1  sing Y N 421 
TYR   CD1 HD1  sing N N 422 
TYR   CD2 CE2  doub Y N 423 
TYR   CD2 HD2  sing N N 424 
TYR   CE1 CZ   doub Y N 425 
TYR   CE1 HE1  sing N N 426 
TYR   CE2 CZ   sing Y N 427 
TYR   CE2 HE2  sing N N 428 
TYR   CZ  OH   sing N N 429 
TYR   OH  HH   sing N N 430 
TYR   OXT HXT  sing N N 431 
VAL   N   CA   sing N N 432 
VAL   N   H    sing N N 433 
VAL   N   H2   sing N N 434 
VAL   CA  C    sing N N 435 
VAL   CA  CB   sing N N 436 
VAL   CA  HA   sing N N 437 
VAL   C   O    doub N N 438 
VAL   C   OXT  sing N N 439 
VAL   CB  CG1  sing N N 440 
VAL   CB  CG2  sing N N 441 
VAL   CB  HB   sing N N 442 
VAL   CG1 HG11 sing N N 443 
VAL   CG1 HG12 sing N N 444 
VAL   CG1 HG13 sing N N 445 
VAL   CG2 HG21 sing N N 446 
VAL   CG2 HG22 sing N N 447 
VAL   CG2 HG23 sing N N 448 
VAL   OXT HXT  sing N N 449 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1LZO 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1LZO 
_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        ? 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   6K4Z 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8YTO 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.029771 
_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]   0.024056 
_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]   0.006184 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C 
H 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N    A GLY   A 1 1   ? 7.834   21.241  -27.641 0.41 23.43 ? 1   GLY   A N    1 
ATOM   2    N N    B GLY   A 1 1   ? 10.052  20.941  -30.296 0.59 41.24 ? 1   GLY   A N    1 
ATOM   3    C CA   A GLY   A 1 1   ? 7.050   20.849  -28.842 0.41 17.75 ? 1   GLY   A CA   1 
ATOM   4    C CA   B GLY   A 1 1   ? 9.120   21.591  -29.330 0.59 40.29 ? 1   GLY   A CA   1 
ATOM   5    C C    A GLY   A 1 1   ? 6.128   19.671  -28.603 0.41 13.16 ? 1   GLY   A C    1 
ATOM   6    C C    B GLY   A 1 1   ? 8.285   20.582  -28.567 0.59 39.17 ? 1   GLY   A C    1 
ATOM   7    O O    A GLY   A 1 1   ? 6.413   18.794  -27.782 0.41 13.40 ? 1   GLY   A O    1 
ATOM   8    O O    B GLY   A 1 1   ? 8.127   20.676  -27.348 0.59 42.25 ? 1   GLY   A O    1 
ATOM   9    H H1   A GLY   A 1 1   ? 8.410   21.883  -27.859 0.41 28.11 ? 1   GLY   A H1   1 
ATOM   10   H H1   B GLY   A 1 1   ? 10.690  21.518  -30.526 0.59 49.48 ? 1   GLY   A H1   1 
ATOM   11   H H2   A GLY   A 1 1   ? 7.281   21.541  -27.011 0.41 28.11 ? 1   GLY   A H2   1 
ATOM   12   H H2   B GLY   A 1 1   ? 10.422  20.226  -29.916 0.59 49.48 ? 1   GLY   A H2   1 
ATOM   13   H H3   A GLY   A 1 1   ? 8.279   20.535  -27.333 0.41 28.11 ? 1   GLY   A H3   1 
ATOM   14   H H3   B GLY   A 1 1   ? 9.601   20.692  -31.021 0.59 49.48 ? 1   GLY   A H3   1 
ATOM   15   H HA2  A GLY   A 1 1   ? 6.510   21.602  -29.127 0.41 21.31 ? 1   GLY   A HA2  1 
ATOM   16   H HA2  B GLY   A 1 1   ? 9.632   22.111  -28.690 0.59 48.34 ? 1   GLY   A HA2  1 
ATOM   17   H HA3  A GLY   A 1 1   ? 7.663   20.612  -29.556 0.41 21.31 ? 1   GLY   A HA3  1 
ATOM   18   H HA3  B GLY   A 1 1   ? 8.521   22.183  -29.811 0.59 48.34 ? 1   GLY   A HA3  1 
ATOM   19   N N    A SER   A 1 2   ? 5.025   19.649  -29.359 0.41 11.36 ? 2   SER   A N    1 
ATOM   20   N N    B SER   A 1 2   ? 7.752   19.602  -29.296 0.59 34.78 ? 2   SER   A N    1 
ATOM   21   C CA   A SER   A 1 2   ? 3.986   18.647  -29.154 0.41 11.02 ? 2   SER   A CA   1 
ATOM   22   C CA   B SER   A 1 2   ? 6.870   18.609  -28.706 0.59 28.24 ? 2   SER   A CA   1 
ATOM   23   C C    A SER   A 1 2   ? 4.492   17.236  -29.395 0.41 8.78  ? 2   SER   A C    1 
ATOM   24   C C    B SER   A 1 2   ? 7.192   17.185  -29.133 0.59 19.64 ? 2   SER   A C    1 
ATOM   25   O O    A SER   A 1 2   ? 4.022   16.306  -28.736 0.41 8.25  ? 2   SER   A O    1 
ATOM   26   O O    B SER   A 1 2   ? 6.466   16.270  -28.738 0.59 15.01 ? 2   SER   A O    1 
ATOM   27   C CB   A SER   A 1 2   ? 2.786   18.950  -30.061 0.41 11.38 ? 2   SER   A CB   1 
ATOM   28   C CB   B SER   A 1 2   ? 5.403   18.924  -29.048 0.59 30.68 ? 2   SER   A CB   1 
ATOM   29   O OG   A SER   A 1 2   ? 2.712   18.119  -31.207 0.41 16.29 ? 2   SER   A OG   1 
ATOM   30   O OG   B SER   A 1 2   ? 4.515   18.038  -28.388 0.59 32.86 ? 2   SER   A OG   1 
ATOM   31   H H    A SER   A 1 2   ? 4.858   20.204  -29.995 0.41 13.63 ? 2   SER   A H    1 
ATOM   32   H H    B SER   A 1 2   ? 7.890   19.493  -30.138 0.59 41.74 ? 2   SER   A H    1 
ATOM   33   H HA   A SER   A 1 2   ? 3.690   18.694  -28.232 0.41 13.22 ? 2   SER   A HA   1 
ATOM   34   H HA   B SER   A 1 2   ? 6.961   18.652  -27.741 0.59 33.89 ? 2   SER   A HA   1 
ATOM   35   H HB2  A SER   A 1 2   ? 1.975   18.827  -29.544 0.41 13.65 ? 2   SER   A HB2  1 
ATOM   36   H HB2  B SER   A 1 2   ? 5.204   19.831  -28.771 0.59 36.82 ? 2   SER   A HB2  1 
ATOM   37   H HB3  A SER   A 1 2   ? 2.854   19.872  -30.357 0.41 13.65 ? 2   SER   A HB3  1 
ATOM   38   H HB3  B SER   A 1 2   ? 5.278   18.835  -30.006 0.59 36.82 ? 2   SER   A HB3  1 
ATOM   39   H HG   A SER   A 1 2   ? 3.411   18.199  -31.666 0.41 19.55 ? 2   SER   A HG   1 
ATOM   40   H HG   B SER   A 1 2   ? 4.625   17.256  -28.674 0.59 39.43 ? 2   SER   A HG   1 
ATOM   41   N N    A ALA   A 1 3   ? 5.454   17.053  -30.313 0.41 8.65  ? 3   ALA   A N    1 
ATOM   42   N N    B ALA   A 1 3   ? 8.253   16.964  -29.911 0.59 15.39 ? 3   ALA   A N    1 
ATOM   43   C CA   A ALA   A 1 3   ? 5.853   15.699  -30.696 0.41 9.86  ? 3   ALA   A CA   1 
ATOM   44   C CA   B ALA   A 1 3   ? 8.592   15.615  -30.349 0.59 13.08 ? 3   ALA   A CA   1 
ATOM   45   C C    A ALA   A 1 3   ? 6.582   14.976  -29.566 0.41 9.10  ? 3   ALA   A C    1 
ATOM   46   C C    B ALA   A 1 3   ? 9.046   14.731  -29.198 0.59 9.34  ? 3   ALA   A C    1 
ATOM   47   O O    A ALA   A 1 3   ? 6.338   13.782  -29.339 0.41 12.12 ? 3   ALA   A O    1 
ATOM   48   O O    B ALA   A 1 3   ? 9.118   13.510  -29.373 0.59 11.72 ? 3   ALA   A O    1 
ATOM   49   C CB   A ALA   A 1 3   ? 6.710   15.725  -31.962 0.41 12.22 ? 3   ALA   A CB   1 
ATOM   50   C CB   B ALA   A 1 3   ? 9.669   15.675  -31.434 0.59 15.63 ? 3   ALA   A CB   1 
ATOM   51   H H    A ALA   A 1 3   ? 5.878   17.683  -30.717 0.41 10.38 ? 3   ALA   A H    1 
ATOM   52   H H    B ALA   A 1 3   ? 8.786   17.576  -30.197 0.59 18.47 ? 3   ALA   A H    1 
ATOM   53   H HA   A ALA   A 1 3   ? 5.048   15.197  -30.895 0.41 11.83 ? 3   ALA   A HA   1 
ATOM   54   H HA   B ALA   A 1 3   ? 7.808   15.202  -30.742 0.59 15.70 ? 3   ALA   A HA   1 
ATOM   55   H HB1  A ALA   A 1 3   ? 6.952   14.816  -32.199 0.41 14.66 ? 3   ALA   A HB1  1 
ATOM   56   H HB1  B ALA   A 1 3   ? 9.885   14.772  -31.715 0.59 18.75 ? 3   ALA   A HB1  1 
ATOM   57   H HB2  A ALA   A 1 3   ? 6.199   16.129  -32.681 0.41 14.66 ? 3   ALA   A HB2  1 
ATOM   58   H HB2  B ALA   A 1 3   ? 9.331   16.184  -32.187 0.59 18.75 ? 3   ALA   A HB2  1 
ATOM   59   H HB3  A ALA   A 1 3   ? 7.510   16.246  -31.792 0.41 14.66 ? 3   ALA   A HB3  1 
ATOM   60   H HB3  B ALA   A 1 3   ? 10.459  16.107  -31.072 0.59 18.75 ? 3   ALA   A HB3  1 
ATOM   61   N N    A GLN   A 1 4   ? 7.491   15.663  -28.863 0.41 9.77  ? 4   GLN   A N    1 
ATOM   62   N N    B GLN   A 1 4   ? 9.360   15.310  -28.043 0.59 8.69  ? 4   GLN   A N    1 
ATOM   63   C CA   A GLN   A 1 4   ? 8.376   15.017  -27.899 0.41 11.35 ? 4   GLN   A CA   1 
ATOM   64   C CA   B GLN   A 1 4   ? 9.737   14.536  -26.871 0.59 8.13  ? 4   GLN   A CA   1 
ATOM   65   C C    A GLN   A 1 4   ? 7.944   15.220  -26.444 0.41 8.90  ? 4   GLN   A C    1 
ATOM   66   C C    B GLN   A 1 4   ? 8.813   14.854  -25.703 0.59 8.60  ? 4   GLN   A C    1 
ATOM   67   O O    A GLN   A 1 4   ? 8.757   15.032  -25.534 0.41 11.41 ? 4   GLN   A O    1 
ATOM   68   O O    B GLN   A 1 4   ? 9.241   14.832  -24.549 0.59 9.81  ? 4   GLN   A O    1 
ATOM   69   C CB   A GLN   A 1 4   ? 9.823   15.476  -28.090 0.41 11.37 ? 4   GLN   A CB   1 
ATOM   70   C CB   B GLN   A 1 4   ? 11.206  14.756  -26.502 0.59 10.05 ? 4   GLN   A CB   1 
ATOM   71   C CG   A GLN   A 1 4   ? 10.291  15.492  -29.526 0.41 13.68 ? 4   GLN   A CG   1 
ATOM   72   C CG   B GLN   A 1 4   ? 12.233  14.238  -27.523 0.59 10.46 ? 4   GLN   A CG   1 
ATOM   73   C CD   A GLN   A 1 4   ? 11.545  16.318  -29.704 0.41 16.14 ? 4   GLN   A CD   1 
ATOM   74   C CD   B GLN   A 1 4   ? 12.513  15.226  -28.610 0.59 8.95  ? 4   GLN   A CD   1 
ATOM   75   O OE1  A GLN   A 1 4   ? 11.523  17.350  -30.365 0.41 19.43 ? 4   GLN   A OE1  1 
ATOM   76   O OE1  B GLN   A 1 4   ? 12.617  16.424  -28.368 0.59 12.02 ? 4   GLN   A OE1  1 
ATOM   77   N NE2  A GLN   A 1 4   ? 12.651  15.853  -29.142 0.41 20.10 ? 4   GLN   A NE2  1 
ATOM   78   N NE2  B GLN   A 1 4   ? 12.708  14.727  -29.816 0.59 9.74  ? 4   GLN   A NE2  1 
ATOM   79   H H    A GLN   A 1 4   ? 7.611   16.512  -28.931 0.41 11.73 ? 4   GLN   A H    1 
ATOM   80   H H    B GLN   A 1 4   ? 9.361   16.161  -27.915 0.59 10.43 ? 4   GLN   A H    1 
ATOM   81   H HA   A GLN   A 1 4   ? 8.343   14.064  -28.077 0.41 13.62 ? 4   GLN   A HA   1 
ATOM   82   H HA   B GLN   A 1 4   ? 9.646   13.592  -27.074 0.59 9.76  ? 4   GLN   A HA   1 
ATOM   83   H HB2  A GLN   A 1 4   ? 9.909   16.379  -27.745 0.41 13.64 ? 4   GLN   A HB2  1 
ATOM   84   H HB2  B GLN   A 1 4   ? 11.355  15.709  -26.402 0.59 12.06 ? 4   GLN   A HB2  1 
ATOM   85   H HB3  A GLN   A 1 4   ? 10.405  14.876  -27.599 0.41 13.64 ? 4   GLN   A HB3  1 
ATOM   86   H HB3  B GLN   A 1 4   ? 11.380  14.302  -25.663 0.59 12.06 ? 4   GLN   A HB3  1 
ATOM   87   H HG2  A GLN   A 1 4   ? 10.484  14.584  -29.809 0.41 16.41 ? 4   GLN   A HG2  1 
ATOM   88   H HG2  B GLN   A 1 4   ? 13.068  14.051  -27.066 0.59 12.55 ? 4   GLN   A HG2  1 
ATOM   89   H HG3  A GLN   A 1 4   ? 9.596   15.872  -30.085 0.41 16.41 ? 4   GLN   A HG3  1 
ATOM   90   H HG3  B GLN   A 1 4   ? 11.891  13.429  -27.934 0.59 12.55 ? 4   GLN   A HG3  1 
ATOM   91   H HE21 A GLN   A 1 4   ? 13.388  16.289  -29.217 0.41 24.12 ? 4   GLN   A HE21 1 
ATOM   92   H HE21 B GLN   A 1 4   ? 12.671  13.877  -29.940 0.59 11.68 ? 4   GLN   A HE21 1 
ATOM   93   H HE22 A GLN   A 1 4   ? 12.632  15.114  -28.703 0.41 24.12 ? 4   GLN   A HE22 1 
ATOM   94   H HE22 B GLN   A 1 4   ? 12.873  15.252  -30.477 0.59 11.68 ? 4   GLN   A HE22 1 
ATOM   95   N N    A ALA   A 1 5   ? 6.685   15.570  -26.203 0.41 7.76  ? 5   ALA   A N    1 
ATOM   96   N N    B ALA   A 1 5   ? 7.557   15.186  -26.003 0.59 8.01  ? 5   ALA   A N    1 
ATOM   97   C CA   A ALA   A 1 5   ? 6.216   15.787  -24.837 0.41 8.05  ? 5   ALA   A CA   1 
ATOM   98   C CA   B ALA   A 1 5   ? 6.604   15.532  -24.961 0.59 9.71  ? 5   ALA   A CA   1 
ATOM   99   C C    A ALA   A 1 5   ? 6.228   14.506  -23.995 0.41 7.32  ? 5   ALA   A C    1 
ATOM   100  C C    B ALA   A 1 5   ? 6.449   14.367  -24.008 0.59 10.10 ? 5   ALA   A C    1 
ATOM   101  O O    A ALA   A 1 5   ? 5.858   13.425  -24.461 0.41 9.62  ? 5   ALA   A O    1 
ATOM   102  O O    B ALA   A 1 5   ? 6.125   13.243  -24.412 0.59 10.00 ? 5   ALA   A O    1 
ATOM   103  C CB   A ALA   A 1 5   ? 4.807   16.376  -24.863 0.41 8.88  ? 5   ALA   A CB   1 
ATOM   104  C CB   B ALA   A 1 5   ? 5.250   15.893  -25.568 0.59 9.69  ? 5   ALA   A CB   1 
ATOM   105  H H    A ALA   A 1 5   ? 6.085   15.689  -26.807 0.41 9.32  ? 5   ALA   A H    1 
ATOM   106  H H    B ALA   A 1 5   ? 7.236   15.217  -26.801 0.59 9.62  ? 5   ALA   A H    1 
ATOM   107  H HA   A ALA   A 1 5   ? 6.821   16.410  -24.404 0.41 9.66  ? 5   ALA   A HA   1 
ATOM   108  H HA   B ALA   A 1 5   ? 6.927   16.305  -24.473 0.59 11.66 ? 5   ALA   A HA   1 
ATOM   109  H HB1  A ALA   A 1 5   ? 4.533   16.580  -23.955 0.41 10.66 ? 5   ALA   A HB1  1 
ATOM   110  H HB1  B ALA   A 1 5   ? 4.631   16.108  -24.853 0.59 11.63 ? 5   ALA   A HB1  1 
ATOM   111  H HB2  A ALA   A 1 5   ? 4.813   17.186  -25.397 0.41 10.66 ? 5   ALA   A HB2  1 
ATOM   112  H HB2  B ALA   A 1 5   ? 5.360   16.659  -26.153 0.59 11.63 ? 5   ALA   A HB2  1 
ATOM   113  H HB3  A ALA   A 1 5   ? 4.201   15.727  -25.254 0.41 10.66 ? 5   ALA   A HB3  1 
ATOM   114  H HB3  B ALA   A 1 5   ? 4.919   15.135  -26.074 0.59 11.63 ? 5   ALA   A HB3  1 
ATOM   115  N N    . VAL   A 1 6   ? 6.663   14.653  -22.734 1.00 8.12  ? 6   VAL   A N    1 
ATOM   116  C CA   . VAL   A 1 6   ? 6.616   13.637  -21.685 1.00 8.38  ? 6   VAL   A CA   1 
ATOM   117  C C    . VAL   A 1 6   ? 5.771   14.189  -20.538 1.00 7.17  ? 6   VAL   A C    1 
ATOM   118  O O    . VAL   A 1 6   ? 5.962   15.329  -20.118 1.00 7.40  ? 6   VAL   A O    1 
ATOM   119  C CB   . VAL   A 1 6   ? 8.045   13.286  -21.219 1.00 10.56 ? 6   VAL   A CB   1 
ATOM   120  C CG1  . VAL   A 1 6   ? 8.024   12.423  -19.977 1.00 12.77 ? 6   VAL   A CG1  1 
ATOM   121  C CG2  . VAL   A 1 6   ? 8.785   12.582  -22.339 1.00 15.79 ? 6   VAL   A CG2  1 
ATOM   122  H H    A VAL   A 1 6   ? 7.014   15.384  -22.449 0.41 9.74  ? 6   VAL   A H    1 
ATOM   123  H H    B VAL   A 1 6   ? 6.843   15.442  -22.443 0.59 9.74  ? 6   VAL   A H    1 
ATOM   124  H HA   . VAL   A 1 6   ? 6.186   12.827  -22.001 1.00 10.06 ? 6   VAL   A HA   1 
ATOM   125  H HB   . VAL   A 1 6   ? 8.510   14.107  -20.994 1.00 12.68 ? 6   VAL   A HB   1 
ATOM   126  H HG11 . VAL   A 1 6   ? 8.915   12.073  -19.821 1.00 15.33 ? 6   VAL   A HG11 1 
ATOM   127  H HG12 . VAL   A 1 6   ? 7.743   12.963  -19.222 1.00 15.33 ? 6   VAL   A HG12 1 
ATOM   128  H HG13 . VAL   A 1 6   ? 7.400   11.692  -20.111 1.00 15.33 ? 6   VAL   A HG13 1 
ATOM   129  H HG21 . VAL   A 1 6   ? 9.724   12.516  -22.104 1.00 18.94 ? 6   VAL   A HG21 1 
ATOM   130  H HG22 . VAL   A 1 6   ? 8.411   11.695  -22.456 1.00 18.94 ? 6   VAL   A HG22 1 
ATOM   131  H HG23 . VAL   A 1 6   ? 8.683   13.094  -23.156 1.00 18.94 ? 6   VAL   A HG23 1 
ATOM   132  N N    . VAL   A 1 7   ? 4.861   13.370  -20.031 1.00 5.94  ? 7   VAL   A N    1 
ATOM   133  C CA   . VAL   A 1 7   ? 3.937   13.743  -18.973 1.00 4.87  ? 7   VAL   A CA   1 
ATOM   134  C C    . VAL   A 1 7   ? 4.299   12.940  -17.743 1.00 4.65  ? 7   VAL   A C    1 
ATOM   135  O O    . VAL   A 1 7   ? 4.374   11.708  -17.794 1.00 6.05  ? 7   VAL   A O    1 
ATOM   136  C CB   . VAL   A 1 7   ? 2.502   13.463  -19.408 1.00 4.96  ? 7   VAL   A CB   1 
ATOM   137  C CG1  . VAL   A 1 7   ? 1.525   13.744  -18.285 1.00 5.75  ? 7   VAL   A CG1  1 
ATOM   138  C CG2  . VAL   A 1 7   ? 2.151   14.308  -20.636 1.00 6.53  ? 7   VAL   A CG2  1 
ATOM   139  H H    . VAL   A 1 7   ? 4.755   12.558  -20.295 1.00 7.13  ? 7   VAL   A H    1 
ATOM   140  H HA   . VAL   A 1 7   ? 4.024   14.685  -18.759 1.00 5.84  ? 7   VAL   A HA   1 
ATOM   141  H HB   . VAL   A 1 7   ? 2.427   12.524  -19.638 1.00 5.95  ? 7   VAL   A HB   1 
ATOM   142  H HG11 . VAL   A 1 7   ? 0.624   13.575  -18.601 1.00 6.90  ? 7   VAL   A HG11 1 
ATOM   143  H HG12 . VAL   A 1 7   ? 1.728   13.160  -17.537 1.00 6.90  ? 7   VAL   A HG12 1 
ATOM   144  H HG13 . VAL   A 1 7   ? 1.613   14.671  -18.015 1.00 6.90  ? 7   VAL   A HG13 1 
ATOM   145  H HG21 . VAL   A 1 7   ? 1.228   14.140  -20.882 1.00 7.83  ? 7   VAL   A HG21 1 
ATOM   146  H HG22 . VAL   A 1 7   ? 2.270   15.246  -20.419 1.00 7.83  ? 7   VAL   A HG22 1 
ATOM   147  H HG23 . VAL   A 1 7   ? 2.738   14.061  -21.368 1.00 7.83  ? 7   VAL   A HG23 1 
ATOM   148  N N    . THR   A 1 8   ? 4.531   13.630  -16.630 1.00 5.02  ? 8   THR   A N    1 
ATOM   149  C CA   A THR   A 1 8   ? 5.029   13.003  -15.414 0.54 6.58  ? 8   THR   A CA   1 
ATOM   150  C CA   B THR   A 1 8   ? 5.014   12.976  -15.421 0.46 6.16  ? 8   THR   A CA   1 
ATOM   151  C C    . THR   A 1 8   ? 4.028   13.108  -14.266 1.00 5.13  ? 8   THR   A C    1 
ATOM   152  O O    . THR   A 1 8   ? 3.455   14.169  -14.019 1.00 6.63  ? 8   THR   A O    1 
ATOM   153  C CB   A THR   A 1 8   ? 6.388   13.609  -15.034 0.54 8.60  ? 8   THR   A CB   1 
ATOM   154  C CB   B THR   A 1 8   ? 6.406   13.476  -14.999 0.46 7.82  ? 8   THR   A CB   1 
ATOM   155  O OG1  A THR   A 1 8   ? 7.275   13.458  -16.146 0.54 9.62  ? 8   THR   A OG1  1 
ATOM   156  O OG1  B THR   A 1 8   ? 6.399   14.898  -14.915 0.46 8.08  ? 8   THR   A OG1  1 
ATOM   157  C CG2  A THR   A 1 8   ? 6.963   12.911  -13.812 0.54 10.63 ? 8   THR   A CG2  1 
ATOM   158  C CG2  B THR   A 1 8   ? 7.461   13.028  -15.996 0.46 8.99  ? 8   THR   A CG2  1 
ATOM   159  H H    A THR   A 1 8   ? 4.404   14.477  -16.556 0.54 6.02  ? 8   THR   A H    1 
ATOM   160  H H    B THR   A 1 8   ? 4.415   14.478  -16.552 0.46 6.02  ? 8   THR   A H    1 
ATOM   161  H HA   A THR   A 1 8   ? 5.142   12.051  -15.562 0.54 7.90  ? 8   THR   A HA   1 
ATOM   162  H HA   B THR   A 1 8   ? 5.087   12.029  -15.617 0.46 7.40  ? 8   THR   A HA   1 
ATOM   163  H HB   A THR   A 1 8   ? 6.290   14.549  -14.815 0.54 10.32 ? 8   THR   A HB   1 
ATOM   164  H HB   B THR   A 1 8   ? 6.634   13.105  -14.132 0.46 9.39  ? 8   THR   A HB   1 
ATOM   165  H HG1  A THR   A 1 8   ? 6.988   13.893  -16.804 0.54 11.55 ? 8   THR   A HG1  1 
ATOM   166  H HG1  B THR   A 1 8   ? 5.841   15.149  -14.339 0.46 9.69  ? 8   THR   A HG1  1 
ATOM   167  H HG21 A THR   A 1 8   ? 7.891   13.167  -13.690 0.54 12.76 ? 8   THR   A HG21 1 
ATOM   168  H HG21 B THR   A 1 8   ? 8.342   13.293  -15.688 0.46 10.79 ? 8   THR   A HG21 1 
ATOM   169  H HG22 A THR   A 1 8   ? 6.461   13.160  -13.021 0.54 12.76 ? 8   THR   A HG22 1 
ATOM   170  H HG22 B THR   A 1 8   ? 7.439   12.063  -16.091 0.46 10.79 ? 8   THR   A HG22 1 
ATOM   171  H HG23 A THR   A 1 8   ? 6.915   11.949  -13.926 0.54 12.76 ? 8   THR   A HG23 1 
ATOM   172  H HG23 B THR   A 1 8   ? 7.294   13.433  -16.861 0.46 10.79 ? 8   THR   A HG23 1 
ATOM   173  N N    . GLN   A 1 9   ? 3.876   12.001  -13.549 1.00 5.29  ? 9   GLN   A N    1 
ATOM   174  C CA   . GLN   A 1 9   ? 3.001   11.857  -12.400 1.00 5.53  ? 9   GLN   A CA   1 
ATOM   175  C C    . GLN   A 1 9   ? 3.772   11.280  -11.222 1.00 5.69  ? 9   GLN   A C    1 
ATOM   176  O O    . GLN   A 1 9   ? 4.803   10.634  -11.395 1.00 7.20  ? 9   GLN   A O    1 
ATOM   177  C CB   . GLN   A 1 9   ? 1.864   10.879  -12.748 1.00 5.21  ? 9   GLN   A CB   1 
ATOM   178  C CG   . GLN   A 1 9   ? 0.930   11.389  -13.823 1.00 4.81  ? 9   GLN   A CG   1 
ATOM   179  C CD   . GLN   A 1 9   ? -0.190  10.415  -14.087 1.00 4.31  ? 9   GLN   A CD   1 
ATOM   180  O OE1  . GLN   A 1 9   ? -0.245  9.751   -15.123 1.00 4.98  ? 9   GLN   A OE1  1 
ATOM   181  N NE2  . GLN   A 1 9   ? -1.086  10.306  -13.126 1.00 5.96  ? 9   GLN   A NE2  1 
ATOM   182  H H    . GLN   A 1 9   ? 4.299   11.272  -13.722 1.00 6.35  ? 9   GLN   A H    1 
ATOM   183  H HA   . GLN   A 1 9   ? 2.652   12.725  -12.142 1.00 6.64  ? 9   GLN   A HA   1 
ATOM   184  H HB2  . GLN   A 1 9   ? 2.253   10.048  -13.064 1.00 6.25  ? 9   GLN   A HB2  1 
ATOM   185  H HB3  . GLN   A 1 9   ? 1.337   10.716  -11.951 1.00 6.25  ? 9   GLN   A HB3  1 
ATOM   186  H HG2  . GLN   A 1 9   ? 0.542   12.231  -13.539 1.00 5.77  ? 9   GLN   A HG2  1 
ATOM   187  H HG3  . GLN   A 1 9   ? 1.426   11.514  -14.647 1.00 5.77  ? 9   GLN   A HG3  1 
ATOM   188  H HE21 . GLN   A 1 9   ? -1.007  10.774  -12.409 1.00 7.16  ? 9   GLN   A HE21 1 
ATOM   189  H HE22 . GLN   A 1 9   ? -1.750  9.766   -13.216 1.00 7.16  ? 9   GLN   A HE22 1 
ATOM   190  N N    . GLU   A 1 10  ? 3.250   11.457  -10.013 1.00 5.69  ? 10  GLU   A N    1 
ATOM   191  C CA   . GLU   A 1 10  ? 3.831   10.817  -8.844  1.00 6.37  ? 10  GLU   A CA   1 
ATOM   192  C C    . GLU   A 1 10  ? 3.887   9.311   -9.048  1.00 6.30  ? 10  GLU   A C    1 
ATOM   193  O O    . GLU   A 1 10  ? 2.971   8.701   -9.599  1.00 6.95  ? 10  GLU   A O    1 
ATOM   194  C CB   . GLU   A 1 10  ? 2.948   11.056  -7.614  1.00 6.97  ? 10  GLU   A CB   1 
ATOM   195  C CG   . GLU   A 1 10  ? 2.945   12.441  -7.031  1.00 8.64  ? 10  GLU   A CG   1 
ATOM   196  C CD   . GLU   A 1 10  ? 2.020   13.418  -7.731  1.00 7.96  ? 10  GLU   A CD   1 
ATOM   197  O OE1  . GLU   A 1 10  ? 1.255   13.007  -8.619  1.00 8.01  ? 10  GLU   A OE1  1 
ATOM   198  O OE2  . GLU   A 1 10  ? 2.096   14.626  -7.389  1.00 9.21  ? 10  GLU   A OE2  1 
ATOM   199  H H    . GLU   A 1 10  ? 2.560   11.943  -9.845  1.00 6.83  ? 10  GLU   A H    1 
ATOM   200  H HA   . GLU   A 1 10  ? 4.718   11.181  -8.700  1.00 7.65  ? 10  GLU   A HA   1 
ATOM   201  H HB2  . GLU   A 1 10  ? 2.032   10.852  -7.860  1.00 8.36  ? 10  GLU   A HB2  1 
ATOM   202  H HB3  . GLU   A 1 10  ? 3.244   10.455  -6.912  1.00 8.36  ? 10  GLU   A HB3  1 
ATOM   203  H HG2  . GLU   A 1 10  ? 2.665   12.386  -6.104  1.00 10.37 ? 10  GLU   A HG2  1 
ATOM   204  H HG3  . GLU   A 1 10  ? 3.845   12.801  -7.084  1.00 10.37 ? 10  GLU   A HG3  1 
ATOM   205  N N    . SER   A 1 11  ? 4.928   8.679   -8.521  1.00 5.76  ? 11  SER   A N    1 
ATOM   206  C CA   A SER   A 1 11  ? 5.012   7.232   -8.648  0.59 5.77  ? 11  SER   A CA   1 
ATOM   207  C CA   B SER   A 1 11  ? 5.005   7.231   -8.654  0.41 5.52  ? 11  SER   A CA   1 
ATOM   208  C C    . SER   A 1 11  ? 3.929   6.534   -7.836  1.00 5.93  ? 11  SER   A C    1 
ATOM   209  O O    . SER   A 1 11  ? 3.223   5.658   -8.346  1.00 6.65  ? 11  SER   A O    1 
ATOM   210  C CB   A SER   A 1 11  ? 6.396   6.758   -8.222  0.59 8.78  ? 11  SER   A CB   1 
ATOM   211  C CB   B SER   A 1 11  ? 6.386   6.751   -8.250  0.41 6.90  ? 11  SER   A CB   1 
ATOM   212  O OG   A SER   A 1 11  ? 6.476   5.349   -8.292  0.59 10.59 ? 11  SER   A OG   1 
ATOM   213  O OG   B SER   A 1 11  ? 7.335   7.235   -9.175  0.41 8.01  ? 11  SER   A OG   1 
ATOM   214  H H    A SER   A 1 11  ? 5.577   9.051   -8.099  0.59 6.92  ? 11  SER   A H    1 
ATOM   215  H H    B SER   A 1 11  ? 5.578   9.049   -8.098  0.41 6.92  ? 11  SER   A H    1 
ATOM   216  H HA   A SER   A 1 11  ? 4.880   6.993   -9.579  0.59 6.93  ? 11  SER   A HA   1 
ATOM   217  H HA   B SER   A 1 11  ? 4.861   6.997   -9.585  0.41 6.62  ? 11  SER   A HA   1 
ATOM   218  H HB2  A SER   A 1 11  ? 7.060   7.144   -8.815  0.59 10.54 ? 11  SER   A HB2  1 
ATOM   219  H HB2  B SER   A 1 11  ? 6.598   7.088   -7.365  0.41 8.28  ? 11  SER   A HB2  1 
ATOM   220  H HB3  A SER   A 1 11  ? 6.562   7.041   -7.309  0.59 10.54 ? 11  SER   A HB3  1 
ATOM   221  H HB3  B SER   A 1 11  ? 6.403   5.781   -8.249  0.41 8.28  ? 11  SER   A HB3  1 
ATOM   222  H HG   A SER   A 1 11  ? 7.228   5.090   -8.023  0.59 12.70 ? 11  SER   A HG   1 
ATOM   223  H HG   B SER   A 1 11  ? 8.107   6.996   -8.947  0.41 9.61  ? 11  SER   A HG   1 
ATOM   224  N N    . ALA   A 1 12  ? 3.820   6.877   -6.564  1.00 5.44  ? 12  ALA   A N    1 
ATOM   225  C CA   . ALA   A 1 12  ? 2.887   6.209   -5.680  1.00 5.92  ? 12  ALA   A CA   1 
ATOM   226  C C    . ALA   A 1 12  ? 2.437   7.180   -4.608  1.00 5.67  ? 12  ALA   A C    1 
ATOM   227  O O    . ALA   A 1 12  ? 3.154   8.112   -4.233  1.00 6.79  ? 12  ALA   A O    1 
ATOM   228  C CB   . ALA   A 1 12  ? 3.513   4.969   -5.034  1.00 8.37  ? 12  ALA   A CB   1 
ATOM   229  H H    . ALA   A 1 12  ? 4.280   7.499   -6.187  1.00 6.52  ? 12  ALA   A H    1 
ATOM   230  H HA   . ALA   A 1 12  ? 2.107   5.932   -6.186  1.00 7.11  ? 12  ALA   A HA   1 
ATOM   231  H HB1  . ALA   A 1 12  ? 2.852   4.540   -4.468  1.00 10.04 ? 12  ALA   A HB1  1 
ATOM   232  H HB2  . ALA   A 1 12  ? 3.796   4.359   -5.733  1.00 10.04 ? 12  ALA   A HB2  1 
ATOM   233  H HB3  . ALA   A 1 12  ? 4.277   5.242   -4.503  1.00 10.04 ? 12  ALA   A HB3  1 
ATOM   234  N N    . LEU   A 1 13  ? 1.235   6.928   -4.105  1.00 5.35  ? 13  LEU   A N    1 
ATOM   235  C CA   . LEU   A 1 13  ? 0.686   7.648   -2.973  1.00 5.22  ? 13  LEU   A CA   1 
ATOM   236  C C    . LEU   A 1 13  ? -0.052  6.646   -2.090  1.00 5.50  ? 13  LEU   A C    1 
ATOM   237  O O    . LEU   A 1 13  ? -0.565  5.631   -2.577  1.00 6.12  ? 13  LEU   A O    1 
ATOM   238  C CB   . LEU   A 1 13  ? -0.295  8.743   -3.413  1.00 6.36  ? 13  LEU   A CB   1 
ATOM   239  C CG   . LEU   A 1 13  ? 0.334   9.857   -4.253  1.00 7.10  ? 13  LEU   A CG   1 
ATOM   240  C CD1  . LEU   A 1 13  ? -0.762  10.691  -4.868  1.00 9.20  ? 13  LEU   A CD1  1 
ATOM   241  C CD2  . LEU   A 1 13  ? 1.275   10.733  -3.433  1.00 8.00  ? 13  LEU   A CD2  1 
ATOM   242  H H    . LEU   A 1 13  ? 0.704   6.326   -4.415  1.00 6.42  ? 13  LEU   A H    1 
ATOM   243  H HA   . LEU   A 1 13  ? 1.402   8.066   -2.470  1.00 6.27  ? 13  LEU   A HA   1 
ATOM   244  H HB2  . LEU   A 1 13  ? -0.996  8.334   -3.945  1.00 7.63  ? 13  LEU   A HB2  1 
ATOM   245  H HB3  . LEU   A 1 13  ? -0.677  9.152   -2.621  1.00 7.63  ? 13  LEU   A HB3  1 
ATOM   246  H HG   . LEU   A 1 13  ? 0.872   9.456   -4.954  1.00 8.52  ? 13  LEU   A HG   1 
ATOM   247  H HD11 . LEU   A 1 13  ? -0.369  11.314  -5.499  1.00 11.04 ? 13  LEU   A HD11 1 
ATOM   248  H HD12 . LEU   A 1 13  ? -1.385  10.105  -5.327  1.00 11.04 ? 13  LEU   A HD12 1 
ATOM   249  H HD13 . LEU   A 1 13  ? -1.222  11.177  -4.166  1.00 11.04 ? 13  LEU   A HD13 1 
ATOM   250  H HD21 . LEU   A 1 13  ? 1.616   11.445  -3.997  1.00 9.59  ? 13  LEU   A HD21 1 
ATOM   251  H HD22 . LEU   A 1 13  ? 0.785   11.109  -2.685  1.00 9.59  ? 13  LEU   A HD22 1 
ATOM   252  H HD23 . LEU   A 1 13  ? 2.010   10.189  -3.108  1.00 9.59  ? 13  LEU   A HD23 1 
ATOM   253  N N    . THR   A 1 14  ? -0.113  6.949   -0.793  1.00 5.90  ? 14  THR   A N    1 
ATOM   254  C CA   . THR   A 1 14  ? -0.811  6.126   0.175   1.00 5.98  ? 14  THR   A CA   1 
ATOM   255  C C    . THR   A 1 14  ? -1.797  7.011   0.916   1.00 5.80  ? 14  THR   A C    1 
ATOM   256  O O    . THR   A 1 14  ? -1.460  8.116   1.331   1.00 7.95  ? 14  THR   A O    1 
ATOM   257  C CB   . THR   A 1 14  ? 0.155   5.507   1.181   1.00 7.92  ? 14  THR   A CB   1 
ATOM   258  O OG1  . THR   A 1 14  ? 1.223   4.876   0.496   1.00 8.72  ? 14  THR   A OG1  1 
ATOM   259  C CG2  . THR   A 1 14  ? -0.546  4.496   2.074   1.00 8.03  ? 14  THR   A CG2  1 
ATOM   260  H H    . THR   A 1 14  ? 0.255   7.645   -0.448  1.00 7.08  ? 14  THR   A H    1 
ATOM   261  H HA   . THR   A 1 14  ? -1.283  5.407   -0.275  1.00 7.17  ? 14  THR   A HA   1 
ATOM   262  H HB   . THR   A 1 14  ? 0.506   6.210   1.750   1.00 9.51  ? 14  THR   A HB   1 
ATOM   263  H HG1  . THR   A 1 14  ? 0.927   4.261   0.007   1.00 10.47 ? 14  THR   A HG1  1 
ATOM   264  H HG21 . THR   A 1 14  ? 0.057   4.197   2.773   1.00 9.63  ? 14  THR   A HG21 1 
ATOM   265  H HG22 . THR   A 1 14  ? -1.327  4.901   2.484   1.00 9.63  ? 14  THR   A HG22 1 
ATOM   266  H HG23 . THR   A 1 14  ? -0.826  3.729   1.551   1.00 9.63  ? 14  THR   A HG23 1 
ATOM   267  N N    . THR   A 1 15  ? -3.006  6.512   1.116   1.00 5.66  ? 15  THR   A N    1 
ATOM   268  C CA   . THR   A 1 15  ? -4.044  7.257   1.800   1.00 5.77  ? 15  THR   A CA   1 
ATOM   269  C C    . THR   A 1 15  ? -4.890  6.303   2.634   1.00 5.47  ? 15  THR   A C    1 
ATOM   270  O O    . THR   A 1 15  ? -4.616  5.103   2.713   1.00 5.95  ? 15  THR   A O    1 
ATOM   271  C CB   . THR   A 1 15  ? -4.845  8.077   0.786   1.00 6.28  ? 15  THR   A CB   1 
ATOM   272  O OG1  . THR   A 1 15  ? -5.636  9.057   1.441   1.00 7.11  ? 15  THR   A OG1  1 
ATOM   273  C CG2  . THR   A 1 15  ? -5.760  7.210   -0.050  1.00 7.18  ? 15  THR   A CG2  1 
ATOM   274  H H    . THR   A 1 15  ? -3.252  5.729   0.859   1.00 6.79  ? 15  THR   A H    1 
ATOM   275  H HA   . THR   A 1 15  ? -3.654  7.876   2.438   1.00 6.92  ? 15  THR   A HA   1 
ATOM   276  H HB   . THR   A 1 15  ? -4.207  8.508   0.196   1.00 7.54  ? 15  THR   A HB   1 
ATOM   277  H HG1  . THR   A 1 15  ? -5.151  9.539   1.929   1.00 8.53  ? 15  THR   A HG1  1 
ATOM   278  H HG21 . THR   A 1 15  ? -6.160  7.737   -0.760  1.00 8.62  ? 15  THR   A HG21 1 
ATOM   279  H HG22 . THR   A 1 15  ? -5.257  6.481   -0.445  1.00 8.62  ? 15  THR   A HG22 1 
ATOM   280  H HG23 . THR   A 1 15  ? -6.466  6.842   0.504   1.00 8.62  ? 15  THR   A HG23 1 
ATOM   281  N N    . SER   A 1 16  ? -5.938  6.846   3.248   1.00 6.08  ? 16  SER   A N    1 
ATOM   282  C CA   . SER   A 1 16  ? -6.891  6.060   4.029   1.00 6.03  ? 16  SER   A CA   1 
ATOM   283  C C    . SER   A 1 16  ? -8.228  6.772   3.979   1.00 5.22  ? 16  SER   A C    1 
ATOM   284  O O    . SER   A 1 16  ? -8.302  7.933   3.574   1.00 5.78  ? 16  SER   A O    1 
ATOM   285  C CB   . SER   A 1 16  ? -6.401  5.860   5.460   1.00 7.76  ? 16  SER   A CB   1 
ATOM   286  O OG   . SER   A 1 16  ? -6.388  7.076   6.178   1.00 7.94  ? 16  SER   A OG   1 
ATOM   287  H H    . SER   A 1 16  ? -6.124  7.686   3.227   1.00 7.30  ? 16  SER   A H    1 
ATOM   288  H HA   . SER   A 1 16  ? -7.010  5.181   3.636   1.00 7.24  ? 16  SER   A HA   1 
ATOM   289  H HB2  . SER   A 1 16  ? -6.994  5.237   5.909   1.00 9.32  ? 16  SER   A HB2  1 
ATOM   290  H HB3  . SER   A 1 16  ? -5.500  5.501   5.435   1.00 9.32  ? 16  SER   A HB3  1 
ATOM   291  H HG   . SER   A 1 16  ? -5.920  7.644   5.772   1.00 9.52  ? 16  SER   A HG   1 
ATOM   292  N N    . PRO   A 1 17  ? -9.302  6.103   4.377   1.00 5.88  ? 17  PRO   A N    1 
ATOM   293  C CA   . PRO   A 1 17  ? -10.618 6.716   4.222   1.00 6.00  ? 17  PRO   A CA   1 
ATOM   294  C C    . PRO   A 1 17  ? -10.716 8.037   4.958   1.00 5.22  ? 17  PRO   A C    1 
ATOM   295  O O    . PRO   A 1 17  ? -10.326 8.182   6.117   1.00 6.27  ? 17  PRO   A O    1 
ATOM   296  C CB   . PRO   A 1 17  ? -11.575 5.647   4.745   1.00 8.49  ? 17  PRO   A CB   1 
ATOM   297  C CG   . PRO   A 1 17  ? -10.862 4.372   4.441   1.00 8.37  ? 17  PRO   A CG   1 
ATOM   298  C CD   . PRO   A 1 17  ? -9.415  4.689   4.748   1.00 7.42  ? 17  PRO   A CD   1 
ATOM   299  H HA   . PRO   A 1 17  ? -10.818 6.876   3.286   1.00 7.19  ? 17  PRO   A HA   1 
ATOM   300  H HB2  . PRO   A 1 17  ? -11.713 5.757   5.699   1.00 10.19 ? 17  PRO   A HB2  1 
ATOM   301  H HB3  . PRO   A 1 17  ? -12.424 5.698   4.279   1.00 10.19 ? 17  PRO   A HB3  1 
ATOM   302  H HG2  . PRO   A 1 17  ? -11.194 3.659   5.009   1.00 10.04 ? 17  PRO   A HG2  1 
ATOM   303  H HG3  . PRO   A 1 17  ? -10.980 4.136   3.508   1.00 10.04 ? 17  PRO   A HG3  1 
ATOM   304  H HD2  . PRO   A 1 17  ? -9.225  4.562   5.690   1.00 8.90  ? 17  PRO   A HD2  1 
ATOM   305  H HD3  . PRO   A 1 17  ? -8.820  4.141   4.212   1.00 8.90  ? 17  PRO   A HD3  1 
ATOM   306  N N    . GLY   A 1 18  ? -11.266 9.018   4.257   1.00 5.37  ? 18  GLY   A N    1 
ATOM   307  C CA   . GLY   A 1 18  ? -11.470 10.324  4.803   1.00 5.66  ? 18  GLY   A CA   1 
ATOM   308  C C    . GLY   A 1 18  ? -10.336 11.297  4.622   1.00 5.35  ? 18  GLY   A C    1 
ATOM   309  O O    . GLY   A 1 18  ? -10.498 12.471  4.966   1.00 6.51  ? 18  GLY   A O    1 
ATOM   310  H H    . GLY   A 1 18  ? -11.531 8.938   3.442   1.00 6.44  ? 18  GLY   A H    1 
ATOM   311  H HA2  . GLY   A 1 18  ? -12.255 10.711  4.385   1.00 6.79  ? 18  GLY   A HA2  1 
ATOM   312  H HA3  . GLY   A 1 18  ? -11.631 10.236  5.755   1.00 6.79  ? 18  GLY   A HA3  1 
ATOM   313  N N    . GLU   A 1 19  ? -9.187  10.851  4.127   1.00 5.19  ? 19  GLU   A N    1 
ATOM   314  C CA   . GLU   A 1 19  ? -8.097  11.756  3.822   1.00 4.97  ? 19  GLU   A CA   1 
ATOM   315  C C    . GLU   A 1 19  ? -8.340  12.439  2.489   1.00 4.79  ? 19  GLU   A C    1 
ATOM   316  O O    . GLU   A 1 19  ? -9.148  12.003  1.669   1.00 6.11  ? 19  GLU   A O    1 
ATOM   317  C CB   . GLU   A 1 19  ? -6.762  11.016  3.733   1.00 5.66  ? 19  GLU   A CB   1 
ATOM   318  C CG   . GLU   A 1 19  ? -6.226  10.440  5.018   1.00 7.05  ? 19  GLU   A CG   1 
ATOM   319  C CD   . GLU   A 1 19  ? -4.781  9.935   4.923   1.00 6.83  ? 19  GLU   A CD   1 
ATOM   320  O OE1  . GLU   A 1 19  ? -3.918  10.601  4.300   1.00 8.11  ? 19  GLU   A OE1  1 
ATOM   321  O OE2  . GLU   A 1 19  ? -4.508  8.879   5.516   1.00 8.44  ? 19  GLU   A OE2  1 
ATOM   322  H H    . GLU   A 1 19  ? -9.017  10.025  3.959   1.00 6.22  ? 19  GLU   A H    1 
ATOM   323  H HA   . GLU   A 1 19  ? -8.042  12.414  4.532   1.00 5.96  ? 19  GLU   A HA   1 
ATOM   324  H HB2  . GLU   A 1 19  ? -6.867  10.278  3.112   1.00 6.79  ? 19  GLU   A HB2  1 
ATOM   325  H HB3  . GLU   A 1 19  ? -6.095  11.637  3.400   1.00 6.79  ? 19  GLU   A HB3  1 
ATOM   326  H HG2  . GLU   A 1 19  ? -6.253  11.128  5.702   1.00 8.46  ? 19  GLU   A HG2  1 
ATOM   327  H HG3  . GLU   A 1 19  ? -6.784  9.691   5.279   1.00 8.46  ? 19  GLU   A HG3  1 
ATOM   328  N N    . THR   A 1 20  ? -7.615  13.517  2.256   1.00 5.41  ? 20  THR   A N    1 
ATOM   329  C CA   . THR   A 1 20  ? -7.587  14.158  0.950   1.00 5.42  ? 20  THR   A CA   1 
ATOM   330  C C    . THR   A 1 20  ? -6.321  13.706  0.244   1.00 5.29  ? 20  THR   A C    1 
ATOM   331  O O    . THR   A 1 20  ? -5.242  13.639  0.851   1.00 7.18  ? 20  THR   A O    1 
ATOM   332  C CB   . THR   A 1 20  ? -7.641  15.659  1.098   1.00 6.99  ? 20  THR   A CB   1 
ATOM   333  O OG1  . THR   A 1 20  ? -8.906  15.978  1.676   1.00 8.96  ? 20  THR   A OG1  1 
ATOM   334  C CG2  . THR   A 1 20  ? -7.510  16.386  -0.229  1.00 7.77  ? 20  THR   A CG2  1 
ATOM   335  H H    . THR   A 1 20  ? -7.122  13.904  2.845   1.00 6.49  ? 20  THR   A H    1 
ATOM   336  H HA   . THR   A 1 20  ? -8.351  13.908  0.406   1.00 6.50  ? 20  THR   A HA   1 
ATOM   337  H HB   . THR   A 1 20  ? -6.900  15.958  1.648   1.00 8.39  ? 20  THR   A HB   1 
ATOM   338  H HG1  . THR   A 1 20  ? -9.024  16.810  1.670   1.00 10.75 ? 20  THR   A HG1  1 
ATOM   339  H HG21 . THR   A 1 20  ? -7.693  17.331  -0.109  1.00 9.32  ? 20  THR   A HG21 1 
ATOM   340  H HG22 . THR   A 1 20  ? -6.610  16.282  -0.577  1.00 9.32  ? 20  THR   A HG22 1 
ATOM   341  H HG23 . THR   A 1 20  ? -8.140  16.022  -0.870  1.00 9.32  ? 20  THR   A HG23 1 
ATOM   342  N N    . VAL   A 1 21  ? -6.466  13.378  -1.039  1.00 5.95  ? 21  VAL   A N    1 
ATOM   343  C CA   . VAL   A 1 21  ? -5.386  12.944  -1.915  1.00 6.51  ? 21  VAL   A CA   1 
ATOM   344  C C    . VAL   A 1 21  ? -5.229  13.973  -3.015  1.00 5.65  ? 21  VAL   A C    1 
ATOM   345  O O    . VAL   A 1 21  ? -6.211  14.347  -3.644  1.00 7.06  ? 21  VAL   A O    1 
ATOM   346  C CB   . VAL   A 1 21  ? -5.709  11.583  -2.585  1.00 8.19  ? 21  VAL   A CB   1 
ATOM   347  C CG1  . VAL   A 1 21  ? -4.468  11.054  -3.339  1.00 10.35 ? 21  VAL   A CG1  1 
ATOM   348  C CG2  . VAL   A 1 21  ? -6.186  10.588  -1.574  1.00 9.60  ? 21  VAL   A CG2  1 
ATOM   349  H H    . VAL   A 1 21  ? -7.224  13.402  -1.444  1.00 7.14  ? 21  VAL   A H    1 
ATOM   350  H HA   . VAL   A 1 21  ? -4.573  12.878  -1.390  1.00 7.81  ? 21  VAL   A HA   1 
ATOM   351  H HB   . VAL   A 1 21  ? -6.425  11.711  -3.228  1.00 9.82  ? 21  VAL   A HB   1 
ATOM   352  H HG11 . VAL   A 1 21  ? -4.636  10.142  -3.623  1.00 12.42 ? 21  VAL   A HG11 1 
ATOM   353  H HG12 . VAL   A 1 21  ? -4.304  11.616  -4.112  1.00 12.42 ? 21  VAL   A HG12 1 
ATOM   354  H HG13 . VAL   A 1 21  ? -3.702  11.079  -2.744  1.00 12.42 ? 21  VAL   A HG13 1 
ATOM   355  H HG21 . VAL   A 1 21  ? -6.343  9.739   -2.015  1.00 11.52 ? 21  VAL   A HG21 1 
ATOM   356  H HG22 . VAL   A 1 21  ? -5.507  10.484  -0.889  1.00 11.52 ? 21  VAL   A HG22 1 
ATOM   357  H HG23 . VAL   A 1 21  ? -7.010  10.912  -1.176  1.00 11.52 ? 21  VAL   A HG23 1 
ATOM   358  N N    . THR   A 1 22  ? -3.996  14.373  -3.283  1.00 5.56  ? 22  THR   A N    1 
ATOM   359  C CA   . THR   A 1 22  ? -3.639  15.237  -4.403  1.00 6.25  ? 22  THR   A CA   1 
ATOM   360  C C    . THR   A 1 22  ? -2.726  14.489  -5.356  1.00 5.73  ? 22  THR   A C    1 
ATOM   361  O O    . THR   A 1 22  ? -1.644  14.070  -4.968  1.00 7.33  ? 22  THR   A O    1 
ATOM   362  C CB   . THR   A 1 22  ? -2.920  16.472  -3.848  1.00 8.70  ? 22  THR   A CB   1 
ATOM   363  O OG1  . THR   A 1 22  ? -3.772  17.127  -2.902  1.00 10.87 ? 22  THR   A OG1  1 
ATOM   364  C CG2  . THR   A 1 22  ? -2.540  17.417  -4.939  1.00 10.90 ? 22  THR   A CG2  1 
ATOM   365  H H    . THR   A 1 22  ? -3.315  14.148  -2.809  1.00 6.67  ? 22  THR   A H    1 
ATOM   366  H HA   . THR   A 1 22  ? -4.431  15.491  -4.902  1.00 7.50  ? 22  THR   A HA   1 
ATOM   367  H HB   . THR   A 1 22  ? -2.100  16.199  -3.410  1.00 10.44 ? 22  THR   A HB   1 
ATOM   368  H HG1  . THR   A 1 22  ? -4.449  17.437  -3.291  1.00 13.04 ? 22  THR   A HG1  1 
ATOM   369  H HG21 . THR   A 1 22  ? -2.287  18.274  -4.562  1.00 13.08 ? 22  THR   A HG21 1 
ATOM   370  H HG22 . THR   A 1 22  ? -1.791  17.060  -5.441  1.00 13.08 ? 22  THR   A HG22 1 
ATOM   371  H HG23 . THR   A 1 22  ? -3.290  17.547  -5.541  1.00 13.08 ? 22  THR   A HG23 1 
ATOM   372  N N    . LEU   A 1 23  ? -3.167  14.323  -6.592  1.00 5.46  ? 23  LEU   A N    1 
ATOM   373  C CA   . LEU   A 1 23  ? -2.397  13.697  -7.661  1.00 5.40  ? 23  LEU   A CA   1 
ATOM   374  C C    . LEU   A 1 23  ? -2.099  14.774  -8.689  1.00 5.72  ? 23  LEU   A C    1 
ATOM   375  O O    . LEU   A 1 23  ? -2.986  15.557  -9.047  1.00 7.27  ? 23  LEU   A O    1 
ATOM   376  C CB   . LEU   A 1 23  ? -3.234  12.597  -8.312  1.00 6.50  ? 23  LEU   A CB   1 
ATOM   377  C CG   . LEU   A 1 23  ? -3.679  11.475  -7.353  1.00 8.38  ? 23  LEU   A CG   1 
ATOM   378  C CD1  . LEU   A 1 23  ? -5.104  11.720  -6.739  1.00 10.93 ? 23  LEU   A CD1  1 
ATOM   379  C CD2  . LEU   A 1 23  ? -3.609  10.136  -8.061  1.00 11.80 ? 23  LEU   A CD2  1 
ATOM   380  H H    . LEU   A 1 23  ? -3.947  14.577  -6.851  1.00 6.55  ? 23  LEU   A H    1 
ATOM   381  H HA   . LEU   A 1 23  ? -1.570  13.310  -7.334  1.00 6.48  ? 23  LEU   A HA   1 
ATOM   382  H HB2  . LEU   A 1 23  ? -4.035  12.999  -8.685  1.00 7.79  ? 23  LEU   A HB2  1 
ATOM   383  H HB3  . LEU   A 1 23  ? -2.709  12.188  -9.018  1.00 7.79  ? 23  LEU   A HB3  1 
ATOM   384  H HG   . LEU   A 1 23  ? -3.070  11.466  -6.598  1.00 10.05 ? 23  LEU   A HG   1 
ATOM   385  H HD11 . LEU   A 1 23  ? -5.330  10.978  -6.157  1.00 13.12 ? 23  LEU   A HD11 1 
ATOM   386  H HD12 . LEU   A 1 23  ? -5.092  12.547  -6.232  1.00 13.12 ? 23  LEU   A HD12 1 
ATOM   387  H HD13 . LEU   A 1 23  ? -5.752  11.784  -7.459  1.00 13.12 ? 23  LEU   A HD13 1 
ATOM   388  H HD21 . LEU   A 1 23  ? -3.921  9.443   -7.457  1.00 14.16 ? 23  LEU   A HD21 1 
ATOM   389  H HD22 . LEU   A 1 23  ? -4.173  10.166  -8.849  1.00 14.16 ? 23  LEU   A HD22 1 
ATOM   390  H HD23 . LEU   A 1 23  ? -2.690  9.962   -8.317  1.00 14.16 ? 23  LEU   A HD23 1 
ATOM   391  N N    . THR   A 1 24  ? -0.868  14.833  -9.165  1.00 5.52  ? 24  THR   A N    1 
ATOM   392  C CA   . THR   A 1 24  ? -0.481  15.862  -10.111 1.00 6.37  ? 24  THR   A CA   1 
ATOM   393  C C    . THR   A 1 24  ? 0.087   15.275  -11.397 1.00 5.23  ? 24  THR   A C    1 
ATOM   394  O O    . THR   A 1 24  ? 0.462   14.111  -11.498 1.00 6.09  ? 24  THR   A O    1 
ATOM   395  C CB   . THR   A 1 24  ? 0.496   16.869  -9.494  1.00 7.36  ? 24  THR   A CB   1 
ATOM   396  O OG1  . THR   A 1 24  ? 1.788   16.293  -9.376  1.00 8.39  ? 24  THR   A OG1  1 
ATOM   397  C CG2  . THR   A 1 24  ? 0.030   17.371  -8.137  1.00 9.51  ? 24  THR   A CG2  1 
ATOM   398  H H    . THR   A 1 24  ? -0.238  14.286  -8.955  1.00 6.63  ? 24  THR   A H    1 
ATOM   399  H HA   . THR   A 1 24  ? -1.283  16.344  -10.367 1.00 7.64  ? 24  THR   A HA   1 
ATOM   400  H HB   . THR   A 1 24  ? 0.541   17.640  -10.081 1.00 8.83  ? 24  THR   A HB   1 
ATOM   401  H HG1  . THR   A 1 24  ? 1.762   15.634  -8.856  1.00 10.07 ? 24  THR   A HG1  1 
ATOM   402  H HG21 . THR   A 1 24  ? 0.585   18.113  -7.849  1.00 11.41 ? 24  THR   A HG21 1 
ATOM   403  H HG22 . THR   A 1 24  ? -0.891  17.671  -8.193  1.00 11.41 ? 24  THR   A HG22 1 
ATOM   404  H HG23 . THR   A 1 24  ? 0.090   16.659  -7.481  1.00 11.41 ? 24  THR   A HG23 1 
ATOM   405  N N    . CYS   A 1 25  ? 0.134   16.149  -12.385 1.00 5.82  ? 25  CYS   A N    1 
ATOM   406  C CA   A CYS   A 1 25  ? 0.424   15.761  -13.758 0.93 6.00  ? 25  CYS   A CA   1 
ATOM   407  C CA   B CYS   A 1 25  ? 0.427   15.777  -13.762 0.07 6.68  ? 25  CYS   A CA   1 
ATOM   408  C C    . CYS   A 1 25  ? 1.131   16.943  -14.411 1.00 6.08  ? 25  CYS   A C    1 
ATOM   409  O O    . CYS   A 1 25  ? 0.539   18.018  -14.541 1.00 7.01  ? 25  CYS   A O    1 
ATOM   410  C CB   A CYS   A 1 25  ? -0.926  15.441  -14.389 0.93 6.35  ? 25  CYS   A CB   1 
ATOM   411  C CB   B CYS   A 1 25  ? -0.858  15.539  -14.511 0.07 8.10  ? 25  CYS   A CB   1 
ATOM   412  S SG   A CYS   A 1 25  ? -0.917  15.094  -16.138 0.93 6.43  ? 25  CYS   A SG   1 
ATOM   413  S SG   B CYS   A 1 25  ? -0.906  13.978  -15.235 0.07 8.36  ? 25  CYS   A SG   1 
ATOM   414  H H    . CYS   A 1 25  ? -0.001  16.992  -12.288 1.00 6.98  ? 25  CYS   A H    1 
ATOM   415  H HA   . CYS   A 1 25  ? 1.021   15.002  -13.854 1.00 8.02  ? 25  CYS   A HA   1 
ATOM   416  H HB2  A CYS   A 1 25  ? -1.289  14.658  -13.944 0.93 7.62  ? 25  CYS   A HB2  1 
ATOM   417  H HB2  B CYS   A 1 25  ? -1.604  15.610  -13.895 0.07 9.71  ? 25  CYS   A HB2  1 
ATOM   418  H HB3  A CYS   A 1 25  ? -1.512  16.202  -14.251 0.93 7.62  ? 25  CYS   A HB3  1 
ATOM   419  H HB3  B CYS   A 1 25  ? -0.944  16.202  -15.214 0.07 9.71  ? 25  CYS   A HB3  1 
ATOM   420  N N    . ARG   A 1 26  ? 2.390   16.741  -14.796 1.00 5.85  ? 26  ARG   A N    1 
ATOM   421  C CA   A ARG   A 1 26  ? 3.240   17.810  -15.301 0.53 7.04  ? 26  ARG   A CA   1 
ATOM   422  C CA   B ARG   A 1 26  ? 3.226   17.810  -15.311 0.47 5.92  ? 26  ARG   A CA   1 
ATOM   423  C C    . ARG   A 1 26  ? 3.630   17.521  -16.745 1.00 5.20  ? 26  ARG   A C    1 
ATOM   424  O O    . ARG   A 1 26  ? 3.798   16.374  -17.139 1.00 6.56  ? 26  ARG   A O    1 
ATOM   425  C CB   A ARG   A 1 26  ? 4.499   17.967  -14.403 0.53 9.82  ? 26  ARG   A CB   1 
ATOM   426  C CB   B ARG   A 1 26  ? 4.476   17.939  -14.456 0.47 7.46  ? 26  ARG   A CB   1 
ATOM   427  C CG   A ARG   A 1 26  ? 5.774   18.393  -15.136 0.53 13.62 ? 26  ARG   A CG   1 
ATOM   428  C CG   B ARG   A 1 26  ? 4.176   18.391  -13.057 0.47 13.80 ? 26  ARG   A CG   1 
ATOM   429  C CD   A ARG   A 1 26  ? 6.865   18.939  -14.243 0.53 17.73 ? 26  ARG   A CD   1 
ATOM   430  C CD   B ARG   A 1 26  ? 5.457   18.508  -12.239 0.47 18.68 ? 26  ARG   A CD   1 
ATOM   431  N NE   A ARG   A 1 26  ? 7.565   19.976  -14.995 0.53 23.35 ? 26  ARG   A NE   1 
ATOM   432  N NE   B ARG   A 1 26  ? 6.389   19.474  -12.818 0.47 20.19 ? 26  ARG   A NE   1 
ATOM   433  C CZ   A ARG   A 1 26  ? 7.081   21.190  -15.232 0.53 26.59 ? 26  ARG   A CZ   1 
ATOM   434  C CZ   B ARG   A 1 26  ? 6.539   20.725  -12.403 0.47 22.77 ? 26  ARG   A CZ   1 
ATOM   435  N NH1  A ARG   A 1 26  ? 5.969   21.617  -14.654 0.53 27.16 ? 26  ARG   A NH1  1 
ATOM   436  N NH1  B ARG   A 1 26  ? 5.854   21.204  -11.377 0.47 22.98 ? 26  ARG   A NH1  1 
ATOM   437  N NH2  A ARG   A 1 26  ? 7.727   21.993  -16.071 0.53 27.86 ? 26  ARG   A NH2  1 
ATOM   438  N NH2  B ARG   A 1 26  ? 7.402   21.516  -13.032 0.47 25.01 ? 26  ARG   A NH2  1 
ATOM   439  H H    A ARG   A 1 26  ? 2.779   15.974  -14.773 0.53 7.02  ? 26  ARG   A H    1 
ATOM   440  H H    B ARG   A 1 26  ? 2.784   15.977  -14.766 0.47 7.02  ? 26  ARG   A H    1 
ATOM   441  H HA   A ARG   A 1 26  ? 2.764   18.655  -15.299 0.53 8.45  ? 26  ARG   A HA   1 
ATOM   442  H HA   B ARG   A 1 26  ? 2.735   18.647  -15.305 0.47 7.10  ? 26  ARG   A HA   1 
ATOM   443  H HB2  A ARG   A 1 26  ? 4.313   18.641  -13.730 0.53 11.78 ? 26  ARG   A HB2  1 
ATOM   444  H HB2  B ARG   A 1 26  ? 4.915   17.075  -14.405 0.47 8.95  ? 26  ARG   A HB2  1 
ATOM   445  H HB3  A ARG   A 1 26  ? 4.680   17.115  -13.978 0.53 11.78 ? 26  ARG   A HB3  1 
ATOM   446  H HB3  B ARG   A 1 26  ? 5.070   18.590  -14.861 0.47 8.95  ? 26  ARG   A HB3  1 
ATOM   447  H HG2  A ARG   A 1 26  ? 6.136   17.622  -15.599 0.53 16.34 ? 26  ARG   A HG2  1 
ATOM   448  H HG2  B ARG   A 1 26  ? 3.747   19.261  -13.082 0.47 16.56 ? 26  ARG   A HG2  1 
ATOM   449  H HG3  A ARG   A 1 26  ? 5.546   19.087  -15.774 0.53 16.34 ? 26  ARG   A HG3  1 
ATOM   450  H HG3  B ARG   A 1 26  ? 3.594   17.746  -12.626 0.47 16.56 ? 26  ARG   A HG3  1 
ATOM   451  H HD2  A ARG   A 1 26  ? 6.481   19.326  -13.441 0.53 21.27 ? 26  ARG   A HD2  1 
ATOM   452  H HD2  B ARG   A 1 26  ? 5.237   18.801  -11.341 0.47 22.42 ? 26  ARG   A HD2  1 
ATOM   453  H HD3  A ARG   A 1 26  ? 7.489   18.235  -14.006 0.53 21.27 ? 26  ARG   A HD3  1 
ATOM   454  H HD3  B ARG   A 1 26  ? 5.897   17.644  -12.209 0.47 22.42 ? 26  ARG   A HD3  1 
ATOM   455  H HE   A ARG   A 1 26  ? 8.344   19.787  -15.306 0.53 28.02 ? 26  ARG   A HE   1 
ATOM   456  H HE   B ARG   A 1 26  ? 6.876   19.211  -13.476 0.47 24.22 ? 26  ARG   A HE   1 
ATOM   457  H HH11 A ARG   A 1 26  ? 5.543   21.104  -14.111 0.53 32.59 ? 26  ARG   A HH11 1 
ATOM   458  H HH11 B ARG   A 1 26  ? 5.294   20.700  -10.961 0.47 27.58 ? 26  ARG   A HH11 1 
ATOM   459  H HH12 A ARG   A 1 26  ? 5.673   22.407  -14.822 0.53 32.59 ? 26  ARG   A HH12 1 
ATOM   460  H HH12 B ARG   A 1 26  ? 5.968   22.018  -11.127 0.47 27.58 ? 26  ARG   A HH12 1 
ATOM   461  H HH21 A ARG   A 1 26  ? 8.449   21.726  -16.453 0.53 33.43 ? 26  ARG   A HH21 1 
ATOM   462  H HH21 B ARG   A 1 26  ? 7.855   21.215  -13.698 0.47 30.01 ? 26  ARG   A HH21 1 
ATOM   463  H HH22 A ARG   A 1 26  ? 7.422   22.782  -16.232 0.53 33.43 ? 26  ARG   A HH22 1 
ATOM   464  H HH22 B ARG   A 1 26  ? 7.509   22.330  -12.772 0.47 30.01 ? 26  ARG   A HH22 1 
ATOM   465  N N    . SER   A 1 27  ? 3.776   18.585  -17.524 1.00 6.19  ? 27  SER   A N    1 
ATOM   466  C CA   . SER   A 1 27  ? 4.186   18.516  -18.915 1.00 6.71  ? 27  SER   A CA   1 
ATOM   467  C C    . SER   A 1 27  ? 5.642   18.933  -19.064 1.00 7.47  ? 27  SER   A C    1 
ATOM   468  O O    . SER   A 1 27  ? 6.067   19.933  -18.486 1.00 7.95  ? 27  SER   A O    1 
ATOM   469  C CB   . SER   A 1 27  ? 3.329   19.480  -19.730 1.00 6.97  ? 27  SER   A CB   1 
ATOM   470  O OG   . SER   A 1 27  ? 3.861   19.602  -21.034 1.00 7.80  ? 27  SER   A OG   1 
ATOM   471  H H    . SER   A 1 27  ? 3.638   19.391  -17.256 1.00 7.43  ? 27  SER   A H    1 
ATOM   472  H HA   . SER   A 1 27  ? 4.092   17.608  -19.242 1.00 8.05  ? 27  SER   A HA   1 
ATOM   473  H HB2  . SER   A 1 27  ? 2.423   19.136  -19.784 1.00 8.36  ? 27  SER   A HB2  1 
ATOM   474  H HB3  . SER   A 1 27  ? 3.328   20.350  -19.300 1.00 8.36  ? 27  SER   A HB3  1 
ATOM   475  H HG   . SER   A 1 27  ? 4.254   18.893  -21.251 1.00 9.36  ? 27  SER   A HG   1 
ATOM   476  N N    . SER   A 1 28  ? 6.401   18.196  -19.890 1.00 7.65  ? 28  SER   A N    1 
ATOM   477  C CA   . SER   A 1 28  ? 7.785   18.568  -20.160 1.00 8.81  ? 28  SER   A CA   1 
ATOM   478  C C    . SER   A 1 28  ? 7.895   19.808  -21.020 1.00 8.95  ? 28  SER   A C    1 
ATOM   479  O O    . SER   A 1 28  ? 8.990   20.382  -21.105 1.00 11.18 ? 28  SER   A O    1 
ATOM   480  C CB   . SER   A 1 28  ? 8.498   17.424  -20.882 1.00 9.25  ? 28  SER   A CB   1 
ATOM   481  O OG   . SER   A 1 28  ? 7.885   17.151  -22.132 1.00 9.65  ? 28  SER   A OG   1 
ATOM   482  H H    . SER   A 1 28  ? 6.136   17.486  -20.298 1.00 9.18  ? 28  SER   A H    1 
ATOM   483  H HA   . SER   A 1 28  ? 8.223   18.737  -19.311 1.00 10.57 ? 28  SER   A HA   1 
ATOM   484  H HB2  . SER   A 1 28  ? 9.423   17.674  -21.032 1.00 11.10 ? 28  SER   A HB2  1 
ATOM   485  H HB3  . SER   A 1 28  ? 8.455   16.628  -20.329 1.00 11.10 ? 28  SER   A HB3  1 
ATOM   486  H HG   . SER   A 1 28  ? 8.410   16.711  -22.619 1.00 11.58 ? 28  SER   A HG   1 
ATOM   487  N N    . THR   A 1 29  ? 6.823   20.221  -21.683 1.00 8.71  ? 29  THR   A N    1 
ATOM   488  C CA   . THR   A 1 29  ? 6.902   21.304  -22.650 1.00 9.35  ? 29  THR   A CA   1 
ATOM   489  C C    . THR   A 1 29  ? 6.709   22.670  -22.019 1.00 11.48 ? 29  THR   A C    1 
ATOM   490  O O    . THR   A 1 29  ? 6.970   23.676  -22.683 1.00 13.68 ? 29  THR   A O    1 
ATOM   491  C CB   . THR   A 1 29  ? 5.865   21.101  -23.765 1.00 10.81 ? 29  THR   A CB   1 
ATOM   492  O OG1  . THR   A 1 29  ? 4.551   21.211  -23.218 1.00 10.76 ? 29  THR   A OG1  1 
ATOM   493  C CG2  . THR   A 1 29  ? 6.030   19.751  -24.418 1.00 12.42 ? 29  THR   A CG2  1 
ATOM   494  H H    . THR   A 1 29  ? 6.036   19.887  -21.589 1.00 10.46 ? 29  THR   A H    1 
ATOM   495  H HA   . THR   A 1 29  ? 7.780   21.288  -23.063 1.00 11.22 ? 29  THR   A HA   1 
ATOM   496  H HB   . THR   A 1 29  ? 5.989   21.779  -24.448 1.00 12.98 ? 29  THR   A HB   1 
ATOM   497  H HG1  . THR   A 1 29  ? 4.532   21.815  -22.635 1.00 12.91 ? 29  THR   A HG1  1 
ATOM   498  H HG21 . THR   A 1 29  ? 5.414   19.664  -25.162 1.00 14.90 ? 29  THR   A HG21 1 
ATOM   499  H HG22 . THR   A 1 29  ? 6.937   19.650  -24.746 1.00 14.90 ? 29  THR   A HG22 1 
ATOM   500  H HG23 . THR   A 1 29  ? 5.848   19.047  -23.775 1.00 14.90 ? 29  THR   A HG23 1 
ATOM   501  N N    . GLY   A 1 30  ? 6.296   22.731  -20.765 1.00 11.70 ? 30  GLY   A N    1 
ATOM   502  C CA   . GLY   A 1 30  ? 5.906   23.956  -20.108 1.00 12.58 ? 30  GLY   A CA   1 
ATOM   503  C C    . GLY   A 1 30  ? 4.746   23.705  -19.176 1.00 9.77  ? 30  GLY   A C    1 
ATOM   504  O O    . GLY   A 1 30  ? 4.473   22.575  -18.789 1.00 10.20 ? 30  GLY   A O    1 
ATOM   505  H H    . GLY   A 1 30  ? 6.230   22.043  -20.253 1.00 14.04 ? 30  GLY   A H    1 
ATOM   506  H HA2  . GLY   A 1 30  ? 6.651   24.307  -19.595 1.00 15.10 ? 30  GLY   A HA2  1 
ATOM   507  H HA3  . GLY   A 1 30  ? 5.641   24.615  -20.770 1.00 15.10 ? 30  GLY   A HA3  1 
ATOM   508  N N    . ALA   A 1 31  ? 4.086   24.780  -18.777 1.00 9.77  ? 31  ALA   A N    1 
ATOM   509  C CA   . ALA   A 1 31  ? 2.894   24.617  -17.961 1.00 9.16  ? 31  ALA   A CA   1 
ATOM   510  C C    . ALA   A 1 31  ? 1.875   23.757  -18.701 1.00 8.41  ? 31  ALA   A C    1 
ATOM   511  O O    . ALA   A 1 31  ? 1.764   23.813  -19.932 1.00 8.67  ? 31  ALA   A O    1 
ATOM   512  C CB   . ALA   A 1 31  ? 2.251   25.970  -17.680 1.00 12.05 ? 31  ALA   A CB   1 
ATOM   513  H H    . ALA   A 1 31  ? 4.300   25.593  -18.960 1.00 11.73 ? 31  ALA   A H    1 
ATOM   514  H HA   . ALA   A 1 31  ? 3.139   24.199  -17.121 1.00 10.99 ? 31  ALA   A HA   1 
ATOM   515  H HB1  . ALA   A 1 31  ? 1.458   25.837  -17.138 1.00 14.46 ? 31  ALA   A HB1  1 
ATOM   516  H HB2  . ALA   A 1 31  ? 2.886   26.529  -17.205 1.00 14.46 ? 31  ALA   A HB2  1 
ATOM   517  H HB3  . ALA   A 1 31  ? 2.010   26.387  -18.522 1.00 14.46 ? 31  ALA   A HB3  1 
ATOM   518  N N    . VAL   A 1 32  ? 1.087   22.992  -17.932 1.00 7.10  ? 32  VAL   A N    1 
ATOM   519  C CA   . VAL   A 1 32  ? -0.133  22.399  -18.465 1.00 6.60  ? 32  VAL   A CA   1 
ATOM   520  C C    . VAL   A 1 32  ? -1.128  23.524  -18.670 1.00 6.75  ? 32  VAL   A C    1 
ATOM   521  O O    . VAL   A 1 32  ? -1.338  24.345  -17.769 1.00 9.37  ? 32  VAL   A O    1 
ATOM   522  C CB   . VAL   A 1 32  ? -0.686  21.328  -17.520 1.00 6.38  ? 32  VAL   A CB   1 
ATOM   523  C CG1  . VAL   A 1 32  ? -1.931  20.704  -18.124 1.00 6.06  ? 32  VAL   A CG1  1 
ATOM   524  C CG2  . VAL   A 1 32  ? 0.354   20.263  -17.256 1.00 6.75  ? 32  VAL   A CG2  1 
ATOM   525  H H    . VAL   A 1 32  ? 1.241   22.806  -17.107 1.00 8.51  ? 32  VAL   A H    1 
ATOM   526  H HA   . VAL   A 1 32  ? 0.052   21.963  -19.311 1.00 7.92  ? 32  VAL   A HA   1 
ATOM   527  H HB   . VAL   A 1 32  ? -0.919  21.741  -16.673 1.00 7.66  ? 32  VAL   A HB   1 
ATOM   528  H HG11 . VAL   A 1 32  ? -2.254  20.007  -17.532 1.00 7.28  ? 32  VAL   A HG11 1 
ATOM   529  H HG12 . VAL   A 1 32  ? -2.610  21.389  -18.229 1.00 7.28  ? 32  VAL   A HG12 1 
ATOM   530  H HG13 . VAL   A 1 32  ? -1.707  20.326  -18.989 1.00 7.28  ? 32  VAL   A HG13 1 
ATOM   531  H HG21 . VAL   A 1 32  ? -0.009  19.615  -16.633 1.00 8.10  ? 32  VAL   A HG21 1 
ATOM   532  H HG22 . VAL   A 1 32  ? 0.579   19.828  -18.093 1.00 8.10  ? 32  VAL   A HG22 1 
ATOM   533  H HG23 . VAL   A 1 32  ? 1.144   20.680  -16.878 1.00 8.10  ? 32  VAL   A HG23 1 
ATOM   534  N N    . ILE   A 1 33  ? -1.713  23.590  -19.861 1.00 7.09  ? 33  ILE   A N    1 
ATOM   535  C CA   . ILE   A 1 33  ? -2.570  24.690  -20.271 1.00 7.08  ? 33  ILE   A CA   1 
ATOM   536  C C    . ILE   A 1 33  ? -3.944  24.157  -20.655 1.00 5.78  ? 33  ILE   A C    1 
ATOM   537  O O    . ILE   A 1 33  ? -4.133  22.965  -20.860 1.00 5.76  ? 33  ILE   A O    1 
ATOM   538  C CB   . ILE   A 1 33  ? -1.937  25.488  -21.417 1.00 7.70  ? 33  ILE   A CB   1 
ATOM   539  C CG1  . ILE   A 1 33  ? -1.738  24.609  -22.648 1.00 8.96  ? 33  ILE   A CG1  1 
ATOM   540  C CG2  . ILE   A 1 33  ? -0.631  26.137  -20.929 1.00 10.37 ? 33  ILE   A CG2  1 
ATOM   541  C CD1  . ILE   A 1 33  ? -1.249  25.376  -23.862 1.00 10.85 ? 33  ILE   A CD1  1 
ATOM   542  H H    . ILE   A 1 33  ? -1.623  22.988  -20.468 1.00 8.51  ? 33  ILE   A H    1 
ATOM   543  H HA   . ILE   A 1 33  ? -2.709  25.284  -19.517 1.00 8.49  ? 33  ILE   A HA   1 
ATOM   544  H HB   . ILE   A 1 33  ? -2.538  26.200  -21.687 1.00 9.24  ? 33  ILE   A HB   1 
ATOM   545  H HG12 . ILE   A 1 33  ? -1.081  23.926  -22.443 1.00 10.75 ? 33  ILE   A HG12 1 
ATOM   546  H HG13 . ILE   A 1 33  ? -2.585  24.196  -22.878 1.00 10.75 ? 33  ILE   A HG13 1 
ATOM   547  H HG21 . ILE   A 1 33  ? -0.242  26.648  -21.656 1.00 12.44 ? 33  ILE   A HG21 1 
ATOM   548  H HG22 . ILE   A 1 33  ? -0.830  26.724  -20.182 1.00 12.44 ? 33  ILE   A HG22 1 
ATOM   549  H HG23 . ILE   A 1 33  ? -0.018  25.440  -20.648 1.00 12.44 ? 33  ILE   A HG23 1 
ATOM   550  H HD11 . ILE   A 1 33  ? -1.160  24.762  -24.608 1.00 13.02 ? 33  ILE   A HD11 1 
ATOM   551  H HD12 . ILE   A 1 33  ? -1.892  26.068  -24.079 1.00 13.02 ? 33  ILE   A HD12 1 
ATOM   552  H HD13 . ILE   A 1 33  ? -0.389  25.775  -23.658 1.00 13.02 ? 33  ILE   A HD13 1 
ATOM   553  N N    . SER   A 1 34  ? -4.916  25.070  -20.766 1.00 6.69  ? 34  SER   A N    1 
ATOM   554  C CA   A SER   A 1 34  ? -6.277  24.618  -21.017 0.66 5.89  ? 34  SER   A CA   1 
ATOM   555  C CA   B SER   A 1 34  ? -6.290  24.657  -21.040 0.19 6.27  ? 34  SER   A CA   1 
ATOM   556  C CA   C SER   A 1 34  ? -6.291  24.665  -21.043 0.15 6.24  ? 34  SER   A CA   1 
ATOM   557  C C    . SER   A 1 34  ? -6.388  23.850  -22.327 1.00 5.49  ? 34  SER   A C    1 
ATOM   558  O O    . SER   A 1 34  ? -7.179  22.898  -22.407 1.00 6.16  ? 34  SER   A O    1 
ATOM   559  C CB   A SER   A 1 34  ? -7.259  25.782  -20.959 0.66 8.41  ? 34  SER   A CB   1 
ATOM   560  C CB   B SER   A 1 34  ? -7.210  25.876  -21.101 0.19 7.89  ? 34  SER   A CB   1 
ATOM   561  C CB   C SER   A 1 34  ? -7.185  25.904  -21.116 0.15 7.61  ? 34  SER   A CB   1 
ATOM   562  O OG   A SER   A 1 34  ? -7.150  26.590  -22.109 0.66 10.40 ? 34  SER   A OG   1 
ATOM   563  O OG   B SER   A 1 34  ? -7.314  26.501  -19.835 0.19 9.13  ? 34  SER   A OG   1 
ATOM   564  O OG   C SER   A 1 34  ? -8.532  25.558  -21.369 0.15 7.10  ? 34  SER   A OG   1 
ATOM   565  H H    A SER   A 1 34  ? -4.813  25.921  -20.702 0.66 8.03  ? 34  SER   A H    1 
ATOM   566  H H    B SER   A 1 34  ? -4.806  25.919  -20.688 0.19 8.03  ? 34  SER   A H    1 
ATOM   567  H H    C SER   A 1 34  ? -4.804  25.919  -20.686 0.15 8.03  ? 34  SER   A H    1 
ATOM   568  H HA   A SER   A 1 34  ? -6.533  24.009  -20.307 0.66 7.07  ? 34  SER   A HA   1 
ATOM   569  H HA   B SER   A 1 34  ? -6.589  24.093  -20.310 0.19 7.53  ? 34  SER   A HA   1 
ATOM   570  H HA   C SER   A 1 34  ? -6.607  24.104  -20.317 0.15 7.49  ? 34  SER   A HA   1 
ATOM   571  H HB2  A SER   A 1 34  ? -8.161  25.430  -20.904 0.66 10.09 ? 34  SER   A HB2  1 
ATOM   572  H HB2  B SER   A 1 34  ? -6.848  26.512  -21.737 0.19 9.47  ? 34  SER   A HB2  1 
ATOM   573  H HB2  C SER   A 1 34  ? -7.136  26.375  -20.270 0.15 9.14  ? 34  SER   A HB2  1 
ATOM   574  H HB3  A SER   A 1 34  ? -7.064  26.320  -20.175 0.66 10.09 ? 34  SER   A HB3  1 
ATOM   575  H HB3  B SER   A 1 34  ? -8.093  25.590  -21.384 0.19 9.47  ? 34  SER   A HB3  1 
ATOM   576  H HB3  C SER   A 1 34  ? -6.868  26.475  -21.833 0.15 9.14  ? 34  SER   A HB3  1 
ATOM   577  H HG   A SER   A 1 34  ? -6.364  26.878  -22.184 0.66 12.48 ? 34  SER   A HG   1 
ATOM   578  H HG   B SER   A 1 34  ? -6.555  26.752  -19.575 0.19 10.96 ? 34  SER   A HG   1 
ATOM   579  H HG   C SER   A 1 34  ? -8.597  25.180  -22.116 0.15 8.52  ? 34  SER   A HG   1 
ATOM   580  N N    . SER   A 1 35  ? -5.585  24.205  -23.344 1.00 5.62  ? 35  SER   A N    1 
ATOM   581  C CA   . SER   A 1 35  ? -5.605  23.488  -24.615 1.00 5.47  ? 35  SER   A CA   1 
ATOM   582  C C    . SER   A 1 35  ? -5.210  22.027  -24.473 1.00 4.67  ? 35  SER   A C    1 
ATOM   583  O O    . SER   A 1 35  ? -5.522  21.217  -25.346 1.00 5.62  ? 35  SER   A O    1 
ATOM   584  C CB   . SER   A 1 35  ? -4.650  24.155  -25.619 1.00 6.97  ? 35  SER   A CB   1 
ATOM   585  O OG   . SER   A 1 35  ? -5.055  25.456  -25.967 1.00 8.27  ? 35  SER   A OG   1 
ATOM   586  H H    . SER   A 1 35  ? -5.024  24.856  -23.317 1.00 6.75  ? 35  SER   A H    1 
ATOM   587  H HA   . SER   A 1 35  ? -6.510  23.532  -24.963 1.00 6.57  ? 35  SER   A HA   1 
ATOM   588  H HB2  . SER   A 1 35  ? -3.767  24.202  -25.220 1.00 8.36  ? 35  SER   A HB2  1 
ATOM   589  H HB3  . SER   A 1 35  ? -4.621  23.614  -26.424 1.00 8.36  ? 35  SER   A HB3  1 
ATOM   590  H HG   . SER   A 1 35  ? -5.859  25.452  -26.210 1.00 9.92  ? 35  SER   A HG   1 
ATOM   591  N N    . ASN   A 1 36  ? -4.475  21.672  -23.401 1.00 4.71  ? 36  ASN   A N    1 
ATOM   592  C CA   . ASN   A 1 36  ? -4.125  20.275  -23.174 1.00 4.50  ? 36  ASN   A CA   1 
ATOM   593  C C    . ASN   A 1 36  ? -5.333  19.440  -22.761 1.00 4.30  ? 36  ASN   A C    1 
ATOM   594  O O    . ASN   A 1 36  ? -5.256  18.209  -22.793 1.00 4.62  ? 36  ASN   A O    1 
ATOM   595  C CB   . ASN   A 1 36  ? -3.030  20.128  -22.111 1.00 4.94  ? 36  ASN   A CB   1 
ATOM   596  C CG   . ASN   A 1 36  ? -1.668  20.687  -22.511 1.00 5.11  ? 36  ASN   A CG   1 
ATOM   597  O OD1  . ASN   A 1 36  ? -1.025  21.318  -21.683 1.00 5.87  ? 36  ASN   A OD1  1 
ATOM   598  N ND2  . ASN   A 1 36  ? -1.214  20.406  -23.708 1.00 6.10  ? 36  ASN   A ND2  1 
ATOM   599  H H    . ASN   A 1 36  ? -4.177  22.218  -22.807 1.00 5.65  ? 36  ASN   A H    1 
ATOM   600  H HA   . ASN   A 1 36  ? -3.762  19.927  -24.003 1.00 5.40  ? 36  ASN   A HA   1 
ATOM   601  H HB2  . ASN   A 1 36  ? -3.313  20.596  -21.310 1.00 5.93  ? 36  ASN   A HB2  1 
ATOM   602  H HB3  . ASN   A 1 36  ? -2.912  19.184  -21.919 1.00 5.93  ? 36  ASN   A HB3  1 
ATOM   603  H HD21 . ASN   A 1 36  ? -0.450  20.708  -23.960 1.00 7.32  ? 36  ASN   A HD21 1 
ATOM   604  H HD22 . ASN   A 1 36  ? -1.681  19.919  -24.241 1.00 7.32  ? 36  ASN   A HD22 1 
ATOM   605  N N    . PHE   A 1 37  ? -6.435  20.085  -22.391 1.00 4.29  ? 37  PHE   A N    1 
ATOM   606  C CA   . PHE   A 1 37  ? -7.760  19.457  -22.293 1.00 4.33  ? 37  PHE   A CA   1 
ATOM   607  C C    . PHE   A 1 37  ? -7.693  18.098  -21.586 1.00 3.82  ? 37  PHE   A C    1 
ATOM   608  O O    . PHE   A 1 37  ? -8.094  17.064  -22.116 1.00 4.47  ? 37  PHE   A O    1 
ATOM   609  C CB   . PHE   A 1 37  ? -8.440  19.388  -23.670 1.00 4.91  ? 37  PHE   A CB   1 
ATOM   610  C CG   . PHE   A 1 37  ? -9.943  19.510  -23.585 1.00 4.69  ? 37  PHE   A CG   1 
ATOM   611  C CD1  . PHE   A 1 37  ? -10.512 20.726  -23.286 1.00 5.23  ? 37  PHE   A CD1  1 
ATOM   612  C CD2  . PHE   A 1 37  ? -10.756 18.414  -23.769 1.00 5.17  ? 37  PHE   A CD2  1 
ATOM   613  C CE1  . PHE   A 1 37  ? -11.878 20.842  -23.161 1.00 6.80  ? 37  PHE   A CE1  1 
ATOM   614  C CE2  . PHE   A 1 37  ? -12.132 18.518  -23.641 1.00 6.04  ? 37  PHE   A CE2  1 
ATOM   615  C CZ   . PHE   A 1 37  ? -12.692 19.737  -23.324 1.00 5.97  ? 37  PHE   A CZ   1 
ATOM   616  H H    . PHE   A 1 37  ? -6.447  20.919  -22.182 1.00 5.14  ? 37  PHE   A H    1 
ATOM   617  H HA   . PHE   A 1 37  ? -8.321  20.013  -21.730 1.00 5.19  ? 37  PHE   A HA   1 
ATOM   618  H HB2  . PHE   A 1 37  ? -8.110  20.115  -24.221 1.00 5.89  ? 37  PHE   A HB2  1 
ATOM   619  H HB3  . PHE   A 1 37  ? -8.231  18.536  -24.083 1.00 5.89  ? 37  PHE   A HB3  1 
ATOM   620  H HD1  . PHE   A 1 37  ? -9.971  21.473  -23.167 1.00 6.27  ? 37  PHE   A HD1  1 
ATOM   621  H HD2  . PHE   A 1 37  ? -10.376 17.592  -23.981 1.00 6.21  ? 37  PHE   A HD2  1 
ATOM   622  H HE1  . PHE   A 1 37  ? -12.256 21.669  -22.965 1.00 8.16  ? 37  PHE   A HE1  1 
ATOM   623  H HE2  . PHE   A 1 37  ? -12.673 17.773  -23.769 1.00 7.25  ? 37  PHE   A HE2  1 
ATOM   624  H HZ   . PHE   A 1 37  ? -13.613 19.815  -23.221 1.00 7.17  ? 37  PHE   A HZ   1 
ATOM   625  N N    . VAL   A 1 38  ? -7.225  18.145  -20.337 1.00 4.18  ? 38  VAL   A N    1 
ATOM   626  C CA   . VAL   A 1 38  ? -6.743  16.960  -19.644 1.00 3.81  ? 38  VAL   A CA   1 
ATOM   627  C C    . VAL   A 1 38  ? -7.880  16.033  -19.247 1.00 3.66  ? 38  VAL   A C    1 
ATOM   628  O O    . VAL   A 1 38  ? -8.911  16.461  -18.704 1.00 4.27  ? 38  VAL   A O    1 
ATOM   629  C CB   . VAL   A 1 38  ? -5.931  17.380  -18.404 1.00 4.28  ? 38  VAL   A CB   1 
ATOM   630  C CG1  . VAL   A 1 38  ? -5.495  16.184  -17.560 1.00 5.11  ? 38  VAL   A CG1  1 
ATOM   631  C CG2  . VAL   A 1 38  ? -4.706  18.204  -18.848 1.00 5.71  ? 38  VAL   A CG2  1 
ATOM   632  H H    . VAL   A 1 38  ? -7.177  18.863  -19.866 1.00 5.02  ? 38  VAL   A H    1 
ATOM   633  H HA   . VAL   A 1 38  ? -6.177  16.468  -20.260 1.00 4.58  ? 38  VAL   A HA   1 
ATOM   634  H HB   . VAL   A 1 38  ? -6.501  17.922  -17.837 1.00 5.14  ? 38  VAL   A HB   1 
ATOM   635  H HG11 . VAL   A 1 38  ? -4.932  16.497  -16.835 1.00 6.13  ? 38  VAL   A HG11 1 
ATOM   636  H HG12 . VAL   A 1 38  ? -6.283  15.746  -17.202 1.00 6.13  ? 38  VAL   A HG12 1 
ATOM   637  H HG13 . VAL   A 1 38  ? -5.000  15.566  -18.120 1.00 6.13  ? 38  VAL   A HG13 1 
ATOM   638  H HG21 . VAL   A 1 38  ? -4.134  18.359  -18.080 1.00 6.86  ? 38  VAL   A HG21 1 
ATOM   639  H HG22 . VAL   A 1 38  ? -4.221  17.709  -19.526 1.00 6.86  ? 38  VAL   A HG22 1 
ATOM   640  H HG23 . VAL   A 1 38  ? -5.010  19.051  -19.211 1.00 6.86  ? 38  VAL   A HG23 1 
ATOM   641  N N    . SER   A 1 39  ? -7.656  14.738  -19.439 1.00 3.63  ? 39  SER   A N    1 
ATOM   642  C CA   . SER   A 1 39  ? -8.474  13.696  -18.845 1.00 3.56  ? 39  SER   A CA   1 
ATOM   643  C C    . SER   A 1 39  ? -7.704  12.974  -17.742 1.00 3.60  ? 39  SER   A C    1 
ATOM   644  O O    . SER   A 1 39  ? -6.474  12.825  -17.799 1.00 4.20  ? 39  SER   A O    1 
ATOM   645  C CB   . SER   A 1 39  ? -8.952  12.653  -19.859 1.00 4.29  ? 39  SER   A CB   1 
ATOM   646  O OG   . SER   A 1 39  ? -9.943  13.191  -20.698 1.00 4.64  ? 39  SER   A OG   1 
ATOM   647  H H    . SER   A 1 39  ? -7.015  14.432  -19.924 1.00 4.36  ? 39  SER   A H    1 
ATOM   648  H HA   . SER   A 1 39  ? -9.259  14.127  -18.470 1.00 4.28  ? 39  SER   A HA   1 
ATOM   649  H HB2  . SER   A 1 39  ? -8.198  12.370  -20.401 1.00 5.15  ? 39  SER   A HB2  1 
ATOM   650  H HB3  . SER   A 1 39  ? -9.320  11.893  -19.382 1.00 5.15  ? 39  SER   A HB3  1 
ATOM   651  H HG   . SER   A 1 39  ? -10.433 12.576  -20.996 1.00 5.56  ? 39  SER   A HG   1 
ATOM   652  N N    . TRP   A 1 40  ? -8.463  12.498  -16.758 1.00 3.36  ? 40  TRP   A N    1 
ATOM   653  C CA   . TRP   A 1 40  ? -7.979  11.611  -15.708 1.00 3.51  ? 40  TRP   A CA   1 
ATOM   654  C C    . TRP   A 1 40  ? -8.788  10.332  -15.753 1.00 3.65  ? 40  TRP   A C    1 
ATOM   655  O O    . TRP   A 1 40  ? -10.026 10.396  -15.771 1.00 4.29  ? 40  TRP   A O    1 
ATOM   656  C CB   . TRP   A 1 40  ? -8.117  12.231  -14.323 1.00 3.51  ? 40  TRP   A CB   1 
ATOM   657  C CG   . TRP   A 1 40  ? -7.200  13.368  -14.062 1.00 3.99  ? 40  TRP   A CG   1 
ATOM   658  C CD1  . TRP   A 1 40  ? -7.429  14.698  -14.289 1.00 4.25  ? 40  TRP   A CD1  1 
ATOM   659  C CD2  . TRP   A 1 40  ? -5.892  13.283  -13.479 1.00 4.31  ? 40  TRP   A CD2  1 
ATOM   660  N NE1  . TRP   A 1 40  ? -6.342  15.440  -13.874 1.00 4.87  ? 40  TRP   A NE1  1 
ATOM   661  C CE2  . TRP   A 1 40  ? -5.402  14.588  -13.366 1.00 4.51  ? 40  TRP   A CE2  1 
ATOM   662  C CE3  . TRP   A 1 40  ? -5.124  12.224  -13.000 1.00 4.66  ? 40  TRP   A CE3  1 
ATOM   663  C CZ2  . TRP   A 1 40  ? -4.176  14.865  -12.770 1.00 5.49  ? 40  TRP   A CZ2  1 
ATOM   664  C CZ3  . TRP   A 1 40  ? -3.910  12.498  -12.392 1.00 5.19  ? 40  TRP   A CZ3  1 
ATOM   665  C CH2  . TRP   A 1 40  ? -3.450  13.804  -12.287 1.00 5.91  ? 40  TRP   A CH2  1 
ATOM   666  H H    . TRP   A 1 40  ? -9.298  12.684  -16.675 1.00 4.04  ? 40  TRP   A H    1 
ATOM   667  H HA   . TRP   A 1 40  ? -7.040  11.423  -15.864 1.00 4.21  ? 40  TRP   A HA   1 
ATOM   668  H HB2  . TRP   A 1 40  ? -9.025  12.557  -14.219 1.00 4.21  ? 40  TRP   A HB2  1 
ATOM   669  H HB3  . TRP   A 1 40  ? -7.933  11.548  -13.659 1.00 4.21  ? 40  TRP   A HB3  1 
ATOM   670  H HD1  . TRP   A 1 40  ? -8.203  15.050  -14.666 1.00 5.10  ? 40  TRP   A HD1  1 
ATOM   671  H HE1  . TRP   A 1 40  ? -6.268  16.295  -13.927 1.00 5.85  ? 40  TRP   A HE1  1 
ATOM   672  H HE3  . TRP   A 1 40  ? -5.421  11.347  -13.088 1.00 5.59  ? 40  TRP   A HE3  1 
ATOM   673  H HZ2  . TRP   A 1 40  ? -3.859  15.737  -12.702 1.00 6.58  ? 40  TRP   A HZ2  1 
ATOM   674  H HZ3  . TRP   A 1 40  ? -3.398  11.800  -12.051 1.00 6.23  ? 40  TRP   A HZ3  1 
ATOM   675  H HH2  . TRP   A 1 40  ? -2.629  13.964  -11.879 1.00 7.10  ? 40  TRP   A HH2  1 
ATOM   676  N N    . VAL   A 1 41  ? -8.101  9.192   -15.746 1.00 3.64  ? 41  VAL   A N    1 
ATOM   677  C CA   . VAL   A 1 41  ? -8.724  7.888   -15.781 1.00 4.21  ? 41  VAL   A CA   1 
ATOM   678  C C    . VAL   A 1 41  ? -8.146  7.028   -14.667 1.00 3.86  ? 41  VAL   A C    1 
ATOM   679  O O    . VAL   A 1 41  ? -7.045  7.266   -14.157 1.00 4.71  ? 41  VAL   A O    1 
ATOM   680  C CB   . VAL   A 1 41  ? -8.573  7.218   -17.157 1.00 4.69  ? 41  VAL   A CB   1 
ATOM   681  C CG1  . VAL   A 1 41  ? -9.090  8.125   -18.275 1.00 5.35  ? 41  VAL   A CG1  1 
ATOM   682  C CG2  . VAL   A 1 41  ? -7.131  6.795   -17.425 1.00 5.63  ? 41  VAL   A CG2  1 
ATOM   683  H H    . VAL   A 1 41  ? -7.242  9.155   -15.719 1.00 4.36  ? 41  VAL   A H    1 
ATOM   684  H HA   . VAL   A 1 41  ? -9.673  7.977   -15.601 1.00 5.05  ? 41  VAL   A HA   1 
ATOM   685  H HB   . VAL   A 1 41  ? -9.115  6.413   -17.152 1.00 5.63  ? 41  VAL   A HB   1 
ATOM   686  H HG11 . VAL   A 1 41  ? -9.174  7.606   -19.090 1.00 6.41  ? 41  VAL   A HG11 1 
ATOM   687  H HG12 . VAL   A 1 41  ? -9.955  8.481   -18.019 1.00 6.41  ? 41  VAL   A HG12 1 
ATOM   688  H HG13 . VAL   A 1 41  ? -8.460  8.851   -18.409 1.00 6.41  ? 41  VAL   A HG13 1 
ATOM   689  H HG21 . VAL   A 1 41  ? -7.086  6.356   -18.289 1.00 6.76  ? 41  VAL   A HG21 1 
ATOM   690  H HG22 . VAL   A 1 41  ? -6.565  7.583   -17.424 1.00 6.76  ? 41  VAL   A HG22 1 
ATOM   691  H HG23 . VAL   A 1 41  ? -6.847  6.183   -16.728 1.00 6.76  ? 41  VAL   A HG23 1 
ATOM   692  N N    . GLN   A 1 42  ? -8.904  5.991   -14.315 1.00 4.58  ? 42  GLN   A N    1 
ATOM   693  C CA   A GLN   A 1 42  ? -8.610  5.100   -13.204 0.86 4.78  ? 42  GLN   A CA   1 
ATOM   694  C CA   B GLN   A 1 42  ? -8.517  5.103   -13.228 0.14 2.16  ? 42  GLN   A CA   1 
ATOM   695  C C    . GLN   A 1 42  ? -8.558  3.663   -13.709 1.00 3.98  ? 42  GLN   A C    1 
ATOM   696  O O    . GLN   A 1 42  ? -9.512  3.230   -14.363 1.00 4.99  ? 42  GLN   A O    1 
ATOM   697  C CB   A GLN   A 1 42  ? -9.777  5.231   -12.224 0.86 6.47  ? 42  GLN   A CB   1 
ATOM   698  C CB   B GLN   A 1 42  ? -9.375  5.283   -11.960 0.14 3.66  ? 42  GLN   A CB   1 
ATOM   699  C CG   A GLN   A 1 42  ? -9.657  4.411   -10.977 0.86 6.85  ? 42  GLN   A CG   1 
ATOM   700  C CG   B GLN   A 1 42  ? -10.856 5.048   -12.144 0.14 4.50  ? 42  GLN   A CG   1 
ATOM   701  C CD   A GLN   A 1 42  ? -10.979 4.329   -10.259 0.86 8.96  ? 42  GLN   A CD   1 
ATOM   702  C CD   B GLN   A 1 42  ? -11.645 5.037   -10.833 0.14 4.61  ? 42  GLN   A CD   1 
ATOM   703  O OE1  A GLN   A 1 42  ? -11.940 3.779   -10.781 0.86 11.22 ? 42  GLN   A OE1  1 
ATOM   704  O OE1  B GLN   A 1 42  ? -12.799 4.631   -10.813 0.14 5.73  ? 42  GLN   A OE1  1 
ATOM   705  N NE2  A GLN   A 1 42  ? -11.046 4.882   -9.058  0.86 8.78  ? 42  GLN   A NE2  1 
ATOM   706  N NE2  B GLN   A 1 42  ? -11.025 5.484   -9.744  0.14 3.71  ? 42  GLN   A NE2  1 
ATOM   707  H H    A GLN   A 1 42  ? -9.628  5.776   -14.726 0.86 5.50  ? 42  GLN   A H    1 
ATOM   708  H H    B GLN   A 1 42  ? -9.648  5.783   -14.693 0.14 5.50  ? 42  GLN   A H    1 
ATOM   709  H HA   A GLN   A 1 42  ? -7.755  5.303   -12.793 0.86 5.73  ? 42  GLN   A HA   1 
ATOM   710  H HA   B GLN   A 1 42  ? -7.605  5.315   -12.978 0.14 2.59  ? 42  GLN   A HA   1 
ATOM   711  H HB2  A GLN   A 1 42  ? -9.849  6.160   -11.955 0.86 7.76  ? 42  GLN   A HB2  1 
ATOM   712  H HB2  B GLN   A 1 42  ? -9.063  4.657   -11.289 0.14 4.39  ? 42  GLN   A HB2  1 
ATOM   713  H HB3  A GLN   A 1 42  ? -10.589 4.953   -12.676 0.86 7.76  ? 42  GLN   A HB3  1 
ATOM   714  H HB3  B GLN   A 1 42  ? -9.264  6.193   -11.642 0.14 4.39  ? 42  GLN   A HB3  1 
ATOM   715  H HG2  A GLN   A 1 42  ? -9.375  3.512   -11.206 0.86 8.22  ? 42  GLN   A HG2  1 
ATOM   716  H HG2  B GLN   A 1 42  ? -11.217 5.754   -12.701 0.14 5.40  ? 42  GLN   A HG2  1 
ATOM   717  H HG3  A GLN   A 1 42  ? -9.009  4.821   -10.382 0.86 8.22  ? 42  GLN   A HG3  1 
ATOM   718  H HG3  B GLN   A 1 42  ? -10.984 4.188   -12.574 0.14 5.40  ? 42  GLN   A HG3  1 
ATOM   719  H HE21 A GLN   A 1 42  ? -10.353 5.265   -8.722  0.86 10.53 ? 42  GLN   A HE21 1 
ATOM   720  H HE21 B GLN   A 1 42  ? -10.214 5.764   -9.796  0.14 4.46  ? 42  GLN   A HE21 1 
ATOM   721  H HE22 A GLN   A 1 42  ? -11.782 4.857   -8.614  0.86 10.53 ? 42  GLN   A HE22 1 
ATOM   722  H HE22 B GLN   A 1 42  ? -11.436 5.494   -8.989  0.14 4.46  ? 42  GLN   A HE22 1 
ATOM   723  N N    . GLU   A 1 43  ? -7.500  2.936   -13.365 1.00 4.34  ? 43  GLU   A N    1 
ATOM   724  C CA   . GLU   A 1 43  ? -7.333  1.536   -13.705 1.00 4.25  ? 43  GLU   A CA   1 
ATOM   725  C C    . GLU   A 1 43  ? -7.423  0.686   -12.449 1.00 4.43  ? 43  GLU   A C    1 
ATOM   726  O O    . GLU   A 1 43  ? -6.623  0.845   -11.529 1.00 5.36  ? 43  GLU   A O    1 
ATOM   727  C CB   . GLU   A 1 43  ? -5.979  1.277   -14.372 1.00 4.80  ? 43  GLU   A CB   1 
ATOM   728  C CG   . GLU   A 1 43  ? -5.881  -0.114  -14.932 1.00 5.62  ? 43  GLU   A CG   1 
ATOM   729  C CD   . GLU   A 1 43  ? -4.634  -0.399  -15.747 1.00 6.05  ? 43  GLU   A CD   1 
ATOM   730  O OE1  . GLU   A 1 43  ? -3.612  0.312   -15.625 1.00 6.45  ? 43  GLU   A OE1  1 
ATOM   731  O OE2  . GLU   A 1 43  ? -4.696  -1.408  -16.540 1.00 6.83  ? 43  GLU   A OE2  1 
ATOM   732  H H    . GLU   A 1 43  ? -6.838  3.250   -12.914 1.00 5.20  ? 43  GLU   A H    1 
ATOM   733  H HA   . GLU   A 1 43  ? -8.049  1.292   -14.313 1.00 5.10  ? 43  GLU   A HA   1 
ATOM   734  H HB2  . GLU   A 1 43  ? -5.857  1.906   -15.100 1.00 5.76  ? 43  GLU   A HB2  1 
ATOM   735  H HB3  . GLU   A 1 43  ? -5.275  1.389   -13.715 1.00 5.76  ? 43  GLU   A HB3  1 
ATOM   736  H HG2  . GLU   A 1 43  ? -5.894  -0.743  -14.194 1.00 6.75  ? 43  GLU   A HG2  1 
ATOM   737  H HG3  . GLU   A 1 43  ? -6.645  -0.265  -15.511 1.00 6.75  ? 43  GLU   A HG3  1 
ATOM   738  N N    A LYS   A 1 44  ? -8.336  -0.269  -12.442 0.63 5.52  ? 44  LYS   A N    1 
ATOM   739  N N    B LYS   A 1 44  ? -8.446  -0.142  -12.405 0.37 7.46  ? 44  LYS   A N    1 
ATOM   740  C CA   A LYS   A 1 44  ? -8.466  -1.257  -11.387 0.63 5.81  ? 44  LYS   A CA   1 
ATOM   741  C CA   B LYS   A 1 44  ? -8.681  -1.038  -11.308 0.37 9.34  ? 44  LYS   A CA   1 
ATOM   742  C C    A LYS   A 1 44  ? -8.156  -2.628  -11.936 0.63 7.04  ? 44  LYS   A C    1 
ATOM   743  C C    B LYS   A 1 44  ? -8.355  -2.455  -11.736 0.37 11.61 ? 44  LYS   A C    1 
ATOM   744  O O    A LYS   A 1 44  ? -8.126  -2.838  -13.154 0.63 9.35  ? 44  LYS   A O    1 
ATOM   745  O O    B LYS   A 1 44  ? -8.315  -2.777  -12.933 0.37 13.99 ? 44  LYS   A O    1 
ATOM   746  C CB   A LYS   A 1 44  ? -9.877  -1.207  -10.802 0.63 8.58  ? 44  LYS   A CB   1 
ATOM   747  C CB   B LYS   A 1 44  ? -10.133 -0.940  -10.821 0.37 9.58  ? 44  LYS   A CB   1 
ATOM   748  C CG   A LYS   A 1 44  ? -10.039 0.042   -9.998  0.63 9.10  ? 44  LYS   A CG   1 
ATOM   749  C CG   B LYS   A 1 44  ? -10.390 0.377   -10.101 0.37 13.73 ? 44  LYS   A CG   1 
ATOM   750  C CD   A LYS   A 1 44  ? -11.385 0.115   -9.297  0.63 12.99 ? 44  LYS   A CD   1 
ATOM   751  C CD   B LYS   A 1 44  ? -11.756 0.436   -9.458  0.37 13.43 ? 44  LYS   A CD   1 
ATOM   752  C CE   A LYS   A 1 44  ? -11.516 1.438   -8.597  0.63 12.68 ? 44  LYS   A CE   1 
ATOM   753  C CE   B LYS   A 1 44  ? -11.705 -0.163  -8.063  0.37 15.64 ? 44  LYS   A CE   1 
ATOM   754  N NZ   A LYS   A 1 44  ? -12.889 1.799   -8.221  0.63 16.50 ? 44  LYS   A NZ   1 
ATOM   755  N NZ   B LYS   A 1 44  ? -12.989 -0.027  -7.336  0.37 17.11 ? 44  LYS   A NZ   1 
ATOM   756  H H    A LYS   A 1 44  ? -8.917  -0.369  -13.068 0.63 6.62  ? 44  LYS   A H    1 
ATOM   757  H H    B LYS   A 1 44  ? -9.039  -0.200  -13.025 0.37 8.95  ? 44  LYS   A H    1 
ATOM   758  H HA   A LYS   A 1 44  ? -7.848  -1.072  -10.663 0.63 6.97  ? 44  LYS   A HA   1 
ATOM   759  H HA   B LYS   A 1 44  ? -8.118  -0.807  -10.553 0.37 11.20 ? 44  LYS   A HA   1 
ATOM   760  H HB2  A LYS   A 1 44  ? -10.530 -1.205  -11.519 0.63 10.30 ? 44  LYS   A HB2  1 
ATOM   761  H HB2  B LYS   A 1 44  ? -10.731 -0.994  -11.583 0.37 11.50 ? 44  LYS   A HB2  1 
ATOM   762  H HB3  A LYS   A 1 44  ? -10.020 -1.973  -10.225 0.63 10.30 ? 44  LYS   A HB3  1 
ATOM   763  H HB3  B LYS   A 1 44  ? -10.314 -1.666  -10.204 0.37 11.50 ? 44  LYS   A HB3  1 
ATOM   764  H HG2  A LYS   A 1 44  ? -9.346  0.075   -9.320  0.63 10.92 ? 44  LYS   A HG2  1 
ATOM   765  H HG2  B LYS   A 1 44  ? -9.726  0.492   -9.404  0.37 16.47 ? 44  LYS   A HG2  1 
ATOM   766  H HG3  A LYS   A 1 44  ? -9.965  0.810   -10.586 0.63 10.92 ? 44  LYS   A HG3  1 
ATOM   767  H HG3  B LYS   A 1 44  ? -10.329 1.104   -10.740 0.37 16.47 ? 44  LYS   A HG3  1 
ATOM   768  H HD2  A LYS   A 1 44  ? -12.100 0.033   -9.948  0.63 15.58 ? 44  LYS   A HD2  1 
ATOM   769  H HD2  B LYS   A 1 44  ? -12.046 1.359   -9.389  0.37 16.11 ? 44  LYS   A HD2  1 
ATOM   770  H HD3  A LYS   A 1 44  ? -11.453 -0.595  -8.640  0.63 15.58 ? 44  LYS   A HD3  1 
ATOM   771  H HD3  B LYS   A 1 44  ? -12.390 -0.072  -9.989  0.37 16.11 ? 44  LYS   A HD3  1 
ATOM   772  H HE2  A LYS   A 1 44  ? -10.988 1.410   -7.784  0.63 15.21 ? 44  LYS   A HE2  1 
ATOM   773  H HE2  B LYS   A 1 44  ? -11.496 -1.107  -8.131  0.37 18.77 ? 44  LYS   A HE2  1 
ATOM   774  H HE3  A LYS   A 1 44  ? -11.182 2.133   -9.186  0.63 15.21 ? 44  LYS   A HE3  1 
ATOM   775  H HE3  B LYS   A 1 44  ? -11.019 0.292   -7.548  0.37 18.77 ? 44  LYS   A HE3  1 
ATOM   776  H HZ1  A LYS   A 1 44  ? -12.890 2.570   -7.775  0.63 19.80 ? 44  LYS   A HZ1  1 
ATOM   777  H HZ1  B LYS   A 1 44  ? -12.929 -0.413  -6.536  0.37 20.54 ? 44  LYS   A HZ1  1 
ATOM   778  H HZ2  A LYS   A 1 44  ? -13.391 1.887   -8.950  0.63 19.80 ? 44  LYS   A HZ2  1 
ATOM   779  H HZ2  B LYS   A 1 44  ? -13.188 0.833   -7.227  0.37 20.54 ? 44  LYS   A HZ2  1 
ATOM   780  H HZ3  A LYS   A 1 44  ? -13.240 1.166   -7.703  0.63 19.80 ? 44  LYS   A HZ3  1 
ATOM   781  H HZ3  B LYS   A 1 44  ? -13.643 -0.419  -7.796  0.37 20.54 ? 44  LYS   A HZ3  1 
ATOM   782  N N    A PRO   A 1 45  ? -7.928  -3.605  -11.064 0.63 9.40  ? 45  PRO   A N    1 
ATOM   783  N N    B PRO   A 1 45  ? -8.089  -3.320  -10.764 0.37 14.13 ? 45  PRO   A N    1 
ATOM   784  C CA   A PRO   A 1 45  ? -7.323  -4.855  -11.512 0.63 12.61 ? 45  PRO   A CA   1 
ATOM   785  C CA   B PRO   A 1 45  ? -7.642  -4.682  -11.048 0.37 13.66 ? 45  PRO   A CA   1 
ATOM   786  C C    A PRO   A 1 45  ? -8.044  -5.551  -12.639 0.63 17.32 ? 45  PRO   A C    1 
ATOM   787  C C    B PRO   A 1 45  ? -8.525  -5.378  -12.049 0.37 10.94 ? 45  PRO   A C    1 
ATOM   788  O O    A PRO   A 1 45  ? -9.239  -5.379  -12.885 0.63 20.29 ? 45  PRO   A O    1 
ATOM   789  O O    B PRO   A 1 45  ? -9.746  -5.441  -11.880 0.37 10.93 ? 45  PRO   A O    1 
ATOM   790  C CB   A PRO   A 1 45  ? -7.326  -5.716  -10.250 0.63 13.23 ? 45  PRO   A CB   1 
ATOM   791  C CB   B PRO   A 1 45  ? -7.729  -5.357  -9.678  0.37 15.56 ? 45  PRO   A CB   1 
ATOM   792  C CG   A PRO   A 1 45  ? -7.119  -4.738  -9.197  0.63 13.13 ? 45  PRO   A CG   1 
ATOM   793  C CG   B PRO   A 1 45  ? -7.381  -4.273  -8.734  0.37 17.35 ? 45  PRO   A CG   1 
ATOM   794  C CD   A PRO   A 1 45  ? -7.935  -3.540  -9.590  0.63 10.89 ? 45  PRO   A CD   1 
ATOM   795  C CD   B PRO   A 1 45  ? -7.932  -2.998  -9.338  0.37 15.67 ? 45  PRO   A CD   1 
ATOM   796  H HA   A PRO   A 1 45  ? -6.421  -4.666  -11.813 0.63 15.13 ? 45  PRO   A HA   1 
ATOM   797  H HA   B PRO   A 1 45  ? -6.729  -4.674  -11.374 0.37 16.39 ? 45  PRO   A HA   1 
ATOM   798  H HB2  A PRO   A 1 45  ? -8.178  -6.170  -10.151 0.63 15.87 ? 45  PRO   A HB2  1 
ATOM   799  H HB2  B PRO   A 1 45  ? -8.629  -5.684  -9.521  0.37 18.67 ? 45  PRO   A HB2  1 
ATOM   800  H HB3  A PRO   A 1 45  ? -6.606  -6.365  -10.280 0.63 15.87 ? 45  PRO   A HB3  1 
ATOM   801  H HB3  B PRO   A 1 45  ? -7.095  -6.089  -9.623  0.37 18.67 ? 45  PRO   A HB3  1 
ATOM   802  H HG2  A PRO   A 1 45  ? -7.423  -5.099  -8.350  0.63 15.76 ? 45  PRO   A HG2  1 
ATOM   803  H HG2  B PRO   A 1 45  ? -7.788  -4.448  -7.871  0.37 20.82 ? 45  PRO   A HG2  1 
ATOM   804  H HG3  A PRO   A 1 45  ? -6.177  -4.510  -9.142  0.63 15.76 ? 45  PRO   A HG3  1 
ATOM   805  H HG3  B PRO   A 1 45  ? -6.417  -4.219  -8.641  0.37 20.82 ? 45  PRO   A HG3  1 
ATOM   806  H HD2  A PRO   A 1 45  ? -8.839  -3.608  -9.244  0.63 13.06 ? 45  PRO   A HD2  1 
ATOM   807  H HD2  B PRO   A 1 45  ? -8.788  -2.773  -8.941  0.37 18.80 ? 45  PRO   A HD2  1 
ATOM   808  H HD3  A PRO   A 1 45  ? -7.521  -2.721  -9.277  0.63 13.06 ? 45  PRO   A HD3  1 
ATOM   809  H HD3  B PRO   A 1 45  ? -7.308  -2.264  -9.218  0.37 18.80 ? 45  PRO   A HD3  1 
ATOM   810  N N    A ASP   A 1 46  ? -7.262  -6.373  -13.322 0.63 16.22 ? 46  ASP   A N    1 
ATOM   811  N N    B ASP   A 1 46  ? -7.860  -5.940  -13.066 0.37 14.40 ? 46  ASP   A N    1 
ATOM   812  C CA   A ASP   A 1 46  ? -7.653  -6.916  -14.596 0.63 15.78 ? 46  ASP   A CA   1 
ATOM   813  C CA   B ASP   A 1 46  ? -8.433  -6.506  -14.274 0.37 12.30 ? 46  ASP   A CA   1 
ATOM   814  C C    A ASP   A 1 46  ? -7.996  -5.789  -15.562 0.63 9.75  ? 46  ASP   A C    1 
ATOM   815  C C    B ASP   A 1 46  ? -8.206  -5.611  -15.497 0.37 10.33 ? 46  ASP   A C    1 
ATOM   816  O O    A ASP   A 1 46  ? -8.972  -5.869  -16.301 0.63 9.97  ? 46  ASP   A O    1 
ATOM   817  O O    B ASP   A 1 46  ? -8.942  -5.758  -16.473 0.37 11.99 ? 46  ASP   A O    1 
ATOM   818  C CB   A ASP   A 1 46  ? -8.792  -7.919  -14.451 0.63 19.96 ? 46  ASP   A CB   1 
ATOM   819  C CB   B ASP   A 1 46  ? -9.943  -6.762  -14.129 0.37 19.08 ? 46  ASP   A CB   1 
ATOM   820  C CG   A ASP   A 1 46  ? -8.429  -9.068  -13.538 0.63 27.86 ? 46  ASP   A CG   1 
ATOM   821  C CG   B ASP   A 1 46  ? -10.420 -7.948  -14.941 0.37 24.13 ? 46  ASP   A CG   1 
ATOM   822  O OD1  A ASP   A 1 46  ? -7.557  -9.881  -13.921 0.63 29.41 ? 46  ASP   A OD1  1 
ATOM   823  O OD1  B ASP   A 1 46  ? -10.623 -7.802  -16.170 0.37 24.19 ? 46  ASP   A OD1  1 
ATOM   824  O OD2  A ASP   A 1 46  ? -9.001  -9.144  -12.432 0.63 31.95 ? 46  ASP   A OD2  1 
ATOM   825  O OD2  B ASP   A 1 46  ? -10.618 -9.019  -14.330 0.37 27.94 ? 46  ASP   A OD2  1 
ATOM   826  H H    A ASP   A 1 46  ? -6.487  -6.632  -13.057 0.63 19.47 ? 46  ASP   A H    1 
ATOM   827  H H    B ASP   A 1 46  ? -7.003  -6.007  -13.073 0.37 17.28 ? 46  ASP   A H    1 
ATOM   828  H HA   A ASP   A 1 46  ? -6.908  -7.406  -14.978 0.63 18.94 ? 46  ASP   A HA   1 
ATOM   829  H HA   B ASP   A 1 46  ? -7.984  -7.354  -14.418 0.37 14.76 ? 46  ASP   A HA   1 
ATOM   830  H HB2  A ASP   A 1 46  ? -9.567  -7.470  -14.078 0.63 23.96 ? 46  ASP   A HB2  1 
ATOM   831  H HB2  B ASP   A 1 46  ? -10.146 -6.936  -13.197 0.37 22.90 ? 46  ASP   A HB2  1 
ATOM   832  H HB3  A ASP   A 1 46  ? -9.008  -8.284  -15.324 0.63 23.96 ? 46  ASP   A HB3  1 
ATOM   833  H HB3  B ASP   A 1 46  ? -10.427 -5.978  -14.433 0.37 22.90 ? 46  ASP   A HB3  1 
ATOM   834  N N    . HIS   A 1 47  ? -7.203  -4.715  -15.497 1.00 8.06  ? 47  HIS   A N    1 
ATOM   835  C CA   . HIS   A 1 47  ? -7.118  -3.658  -16.514 1.00 7.08  ? 47  HIS   A CA   1 
ATOM   836  C C    . HIS   A 1 47  ? -8.496  -3.094  -16.850 1.00 6.29  ? 47  HIS   A C    1 
ATOM   837  O O    . HIS   A 1 47  ? -8.881  -2.951  -18.013 1.00 6.89  ? 47  HIS   A O    1 
ATOM   838  C CB   . HIS   A 1 47  ? -6.289  -4.061  -17.746 1.00 9.05  ? 47  HIS   A CB   1 
ATOM   839  C CG   . HIS   A 1 47  ? -6.749  -5.304  -18.431 1.00 8.67  ? 47  HIS   A CG   1 
ATOM   840  N ND1  . HIS   A 1 47  ? -7.856  -5.355  -19.249 1.00 8.44  ? 47  HIS   A ND1  1 
ATOM   841  C CD2  . HIS   A 1 47  ? -6.209  -6.546  -18.458 1.00 10.35 ? 47  HIS   A CD2  1 
ATOM   842  C CE1  . HIS   A 1 47  ? -8.008  -6.578  -19.719 1.00 10.02 ? 47  HIS   A CE1  1 
ATOM   843  N NE2  . HIS   A 1 47  ? -7.017  -7.319  -19.265 1.00 10.77 ? 47  HIS   A NE2  1 
ATOM   844  H H    . HIS   A 1 47  ? -6.674  -4.566  -14.836 1.00 9.67  ? 47  HIS   A H    1 
ATOM   845  H HA   . HIS   A 1 47  ? -6.617  -2.923  -16.125 1.00 8.50  ? 47  HIS   A HA   1 
ATOM   846  H HB2  . HIS   A 1 47  ? -6.329  -3.340  -18.394 1.00 10.86 ? 47  HIS   A HB2  1 
ATOM   847  H HB3  . HIS   A 1 47  ? -5.371  -4.205  -17.466 1.00 10.86 ? 47  HIS   A HB3  1 
ATOM   848  H HD1  . HIS   A 1 47  ? -8.371  -4.689  -19.426 1.00 10.12 ? 47  HIS   A HD1  1 
ATOM   849  H HD2  . HIS   A 1 47  ? -5.440  -6.825  -18.015 1.00 12.42 ? 47  HIS   A HD2  1 
ATOM   850  H HE1  . HIS   A 1 47  ? -8.695  -6.867  -20.275 1.00 12.03 ? 47  HIS   A HE1  1 
ATOM   851  N N    . LEU   A 1 48  ? -9.213  -2.705  -15.786 1.00 6.74  ? 48  LEU   A N    1 
ATOM   852  C CA   A LEU   A 1 48  ? -10.556 -2.145  -15.880 0.62 6.86  ? 48  LEU   A CA   1 
ATOM   853  C CA   B LEU   A 1 48  ? -10.561 -2.152  -15.856 0.38 6.32  ? 48  LEU   A CA   1 
ATOM   854  C C    . LEU   A 1 48  ? -10.482 -0.636  -15.706 1.00 5.80  ? 48  LEU   A C    1 
ATOM   855  O O    . LEU   A 1 48  ? -10.194 -0.130  -14.610 1.00 6.41  ? 48  LEU   A O    1 
ATOM   856  C CB   A LEU   A 1 48  ? -11.471 -2.746  -14.819 0.62 10.09 ? 48  LEU   A CB   1 
ATOM   857  C CB   B LEU   A 1 48  ? -11.386 -2.747  -14.717 0.38 8.74  ? 48  LEU   A CB   1 
ATOM   858  C CG   A LEU   A 1 48  ? -11.895 -4.180  -15.093 0.62 14.77 ? 48  LEU   A CG   1 
ATOM   859  C CG   B LEU   A 1 48  ? -12.884 -2.469  -14.688 0.38 9.34  ? 48  LEU   A CG   1 
ATOM   860  C CD1  A LEU   A 1 48  ? -12.690 -4.689  -13.908 0.62 16.15 ? 48  LEU   A CD1  1 
ATOM   861  C CD1  B LEU   A 1 48  ? -13.556 -3.100  -15.896 0.38 12.32 ? 48  LEU   A CD1  1 
ATOM   862  C CD2  A LEU   A 1 48  ? -12.703 -4.303  -16.372 0.62 16.32 ? 48  LEU   A CD2  1 
ATOM   863  C CD2  B LEU   A 1 48  ? -13.472 -2.997  -13.387 0.38 11.68 ? 48  LEU   A CD2  1 
ATOM   864  H H    A LEU   A 1 48  ? -8.928  -2.760  -14.976 0.62 8.09  ? 48  LEU   A H    1 
ATOM   865  H H    B LEU   A 1 48  ? -8.921  -2.756  -14.978 0.38 8.09  ? 48  LEU   A H    1 
ATOM   866  H HA   A LEU   A 1 48  ? -10.911 -2.343  -16.761 0.62 8.23  ? 48  LEU   A HA   1 
ATOM   867  H HA   B LEU   A 1 48  ? -10.964 -2.351  -16.715 0.38 7.58  ? 48  LEU   A HA   1 
ATOM   868  H HB2  A LEU   A 1 48  ? -11.006 -2.735  -13.968 0.62 12.11 ? 48  LEU   A HB2  1 
ATOM   869  H HB2  B LEU   A 1 48  ? -11.283 -3.711  -14.753 0.38 10.49 ? 48  LEU   A HB2  1 
ATOM   870  H HB3  A LEU   A 1 48  ? -12.276 -2.207  -14.765 0.62 12.11 ? 48  LEU   A HB3  1 
ATOM   871  H HB3  B LEU   A 1 48  ? -11.024 -2.407  -13.884 0.38 10.49 ? 48  LEU   A HB3  1 
ATOM   872  H HG   A LEU   A 1 48  ? -11.104 -4.726  -15.217 0.62 17.72 ? 48  LEU   A HG   1 
ATOM   873  H HG   B LEU   A 1 48  ? -13.050 -1.514  -14.729 0.38 11.20 ? 48  LEU   A HG   1 
ATOM   874  H HD11 A LEU   A 1 48  ? -13.015 -5.582  -14.106 0.62 19.38 ? 48  LEU   A HD11 1 
ATOM   875  H HD11 B LEU   A 1 48  ? -14.515 -2.972  -15.826 0.38 14.78 ? 48  LEU   A HD11 1 
ATOM   876  H HD12 A LEU   A 1 48  ? -12.114 -4.713  -13.128 0.62 19.38 ? 48  LEU   A HD12 1 
ATOM   877  H HD12 B LEU   A 1 48  ? -13.224 -2.673  -16.701 0.38 14.78 ? 48  LEU   A HD12 1 
ATOM   878  H HD13 A LEU   A 1 48  ? -13.438 -4.092  -13.749 0.62 19.38 ? 48  LEU   A HD13 1 
ATOM   879  H HD13 B LEU   A 1 48  ? -13.349 -4.047  -15.914 0.38 14.78 ? 48  LEU   A HD13 1 
ATOM   880  H HD21 A LEU   A 1 48  ? -12.909 -5.238  -16.527 0.62 19.58 ? 48  LEU   A HD21 1 
ATOM   881  H HD21 B LEU   A 1 48  ? -14.436 -2.891  -13.409 0.38 14.01 ? 48  LEU   A HD21 1 
ATOM   882  H HD22 A LEU   A 1 48  ? -13.524 -3.795  -16.278 0.62 19.58 ? 48  LEU   A HD22 1 
ATOM   883  H HD22 B LEU   A 1 48  ? -13.245 -3.936  -13.295 0.38 14.01 ? 48  LEU   A HD22 1 
ATOM   884  H HD23 A LEU   A 1 48  ? -12.180 -3.953  -17.111 0.62 19.58 ? 48  LEU   A HD23 1 
ATOM   885  H HD23 B LEU   A 1 48  ? -13.102 -2.494  -12.645 0.38 14.01 ? 48  LEU   A HD23 1 
ATOM   886  N N    . PHE   A 1 49  ? -10.737 0.091   -16.789 1.00 4.98  ? 49  PHE   A N    1 
ATOM   887  C CA   . PHE   A 1 49  ? -10.603 1.534   -16.814 1.00 4.58  ? 49  PHE   A CA   1 
ATOM   888  C C    . PHE   A 1 49  ? -11.943 2.226   -16.751 1.00 5.21  ? 49  PHE   A C    1 
ATOM   889  O O    . PHE   A 1 49  ? -12.916 1.796   -17.386 1.00 6.62  ? 49  PHE   A O    1 
ATOM   890  C CB   . PHE   A 1 49  ? -9.917  1.980   -18.105 1.00 5.36  ? 49  PHE   A CB   1 
ATOM   891  C CG   . PHE   A 1 49  ? -8.445  1.907   -18.053 1.00 5.28  ? 49  PHE   A CG   1 
ATOM   892  C CD1  . PHE   A 1 49  ? -7.726  2.963   -17.552 1.00 6.23  ? 49  PHE   A CD1  1 
ATOM   893  C CD2  . PHE   A 1 49  ? -7.781  0.799   -18.493 1.00 6.60  ? 49  PHE   A CD2  1 
ATOM   894  C CE1  . PHE   A 1 49  ? -6.355  2.930   -17.482 1.00 7.90  ? 49  PHE   A CE1  1 
ATOM   895  C CE2  . PHE   A 1 49  ? -6.382  0.765   -18.445 1.00 8.17  ? 49  PHE   A CE2  1 
ATOM   896  C CZ   . PHE   A 1 49  ? -5.697  1.837   -17.910 1.00 7.57  ? 49  PHE   A CZ   1 
ATOM   897  H H    . PHE   A 1 49  ? -10.995 -0.242  -17.539 1.00 5.97  ? 49  PHE   A H    1 
ATOM   898  H HA   . PHE   A 1 49  ? -10.084 1.796   -16.037 1.00 5.49  ? 49  PHE   A HA   1 
ATOM   899  H HB2  . PHE   A 1 49  ? -10.216 1.409   -18.830 1.00 6.44  ? 49  PHE   A HB2  1 
ATOM   900  H HB3  . PHE   A 1 49  ? -10.162 2.901   -18.286 1.00 6.44  ? 49  PHE   A HB3  1 
ATOM   901  H HD1  . PHE   A 1 49  ? -8.178  3.719   -17.253 1.00 7.48  ? 49  PHE   A HD1  1 
ATOM   902  H HD2  . PHE   A 1 49  ? -8.256  0.070   -18.823 1.00 7.91  ? 49  PHE   A HD2  1 
ATOM   903  H HE1  . PHE   A 1 49  ? -5.885  3.657   -17.141 1.00 9.48  ? 49  PHE   A HE1  1 
ATOM   904  H HE2  . PHE   A 1 49  ? -5.919  0.027   -18.770 1.00 9.80  ? 49  PHE   A HE2  1 
ATOM   905  H HZ   . PHE   A 1 49  ? -4.770  1.804   -17.846 1.00 9.09  ? 49  PHE   A HZ   1 
ATOM   906  N N    . THR   A 1 50  ? -11.950 3.357   -16.051 1.00 5.84  ? 50  THR   A N    1 
ATOM   907  C CA   A THR   A 1 50  ? -13.085 4.279   -15.928 0.62 7.11  ? 50  THR   A CA   1 
ATOM   908  C CA   B THR   A 1 50  ? -13.075 4.266   -16.102 0.38 8.09  ? 50  THR   A CA   1 
ATOM   909  C C    . THR   A 1 50  ? -12.549 5.691   -16.087 1.00 6.54  ? 50  THR   A C    1 
ATOM   910  O O    . THR   A 1 50  ? -11.555 6.014   -15.439 1.00 6.55  ? 50  THR   A O    1 
ATOM   911  C CB   A THR   A 1 50  ? -13.759 4.210   -14.528 0.62 10.96 ? 50  THR   A CB   1 
ATOM   912  C CB   B THR   A 1 50  ? -14.044 4.037   -14.939 0.38 8.64  ? 50  THR   A CB   1 
ATOM   913  O OG1  A THR   A 1 50  ? -14.098 2.859   -14.204 0.62 11.27 ? 50  THR   A OG1  1 
ATOM   914  O OG1  B THR   A 1 50  ? -13.303 4.097   -13.727 0.38 11.17 ? 50  THR   A OG1  1 
ATOM   915  C CG2  A THR   A 1 50  ? -15.043 5.079   -14.466 0.62 12.84 ? 50  THR   A CG2  1 
ATOM   916  C CG2  B THR   A 1 50  ? -14.731 2.673   -15.024 0.38 10.78 ? 50  THR   A CG2  1 
ATOM   917  H H    A THR   A 1 50  ? -11.266 3.634   -15.609 0.62 7.01  ? 50  THR   A H    1 
ATOM   918  H H    B THR   A 1 50  ? -11.308 3.616   -15.540 0.38 7.01  ? 50  THR   A H    1 
ATOM   919  H HA   A THR   A 1 50  ? -13.738 4.056   -16.610 0.62 8.54  ? 50  THR   A HA   1 
ATOM   920  H HA   B THR   A 1 50  ? -13.574 4.131   -16.922 0.38 9.70  ? 50  THR   A HA   1 
ATOM   921  H HB   A THR   A 1 50  ? -13.130 4.553   -13.875 0.62 13.15 ? 50  THR   A HB   1 
ATOM   922  H HB   B THR   A 1 50  ? -14.738 4.714   -14.965 0.38 10.37 ? 50  THR   A HB   1 
ATOM   923  H HG1  A THR   A 1 50  ? -13.407 2.381   -14.208 0.62 13.53 ? 50  THR   A HG1  1 
ATOM   924  H HG1  B THR   A 1 50  ? -13.816 3.986   -13.071 0.38 13.41 ? 50  THR   A HG1  1 
ATOM   925  H HG21 A THR   A 1 50  ? -15.189 5.390   -13.559 0.62 15.41 ? 50  THR   A HG21 1 
ATOM   926  H HG21 B THR   A 1 50  ? -15.234 2.504   -14.212 0.38 12.94 ? 50  THR   A HG21 1 
ATOM   927  H HG22 A THR   A 1 50  ? -14.951 5.848   -15.051 0.62 15.41 ? 50  THR   A HG22 1 
ATOM   928  H HG22 B THR   A 1 50  ? -15.338 2.653   -15.780 0.38 12.94 ? 50  THR   A HG22 1 
ATOM   929  H HG23 A THR   A 1 50  ? -15.810 4.558   -14.749 0.62 15.41 ? 50  THR   A HG23 1 
ATOM   930  H HG23 B THR   A 1 50  ? -14.068 1.973   -15.135 0.38 12.94 ? 50  THR   A HG23 1 
ATOM   931  N N    . GLY   A 1 51  ? -13.194 6.537   -16.876 1.00 5.84  ? 51  GLY   A N    1 
ATOM   932  C CA   . GLY   A 1 51  ? -12.817 7.935   -16.926 1.00 6.04  ? 51  GLY   A CA   1 
ATOM   933  C C    . GLY   A 1 51  ? -13.459 8.719   -15.789 1.00 5.51  ? 51  GLY   A C    1 
ATOM   934  O O    . GLY   A 1 51  ? -14.629 8.554   -15.478 1.00 9.50  ? 51  GLY   A O    1 
ATOM   935  H H    . GLY   A 1 51  ? -13.851 6.325   -17.390 1.00 7.01  ? 51  GLY   A H    1 
ATOM   936  H HA2  . GLY   A 1 51  ? -11.853 8.015   -16.853 1.00 7.25  ? 51  GLY   A HA2  1 
ATOM   937  H HA3  . GLY   A 1 51  ? -13.103 8.319   -17.769 1.00 7.25  ? 51  GLY   A HA3  1 
ATOM   938  N N    . LEU   A 1 52  ? -12.706 9.641   -15.230 1.00 4.06  ? 52  LEU   A N    1 
ATOM   939  C CA   A LEU   A 1 52  ? -13.114 10.434  -14.075 0.62 4.34  ? 52  LEU   A CA   1 
ATOM   940  C CA   B LEU   A 1 52  ? -13.164 10.423  -14.091 0.38 4.16  ? 52  LEU   A CA   1 
ATOM   941  C C    . LEU   A 1 52  ? -13.360 11.890  -14.422 1.00 4.37  ? 52  LEU   A C    1 
ATOM   942  O O    . LEU   A 1 52  ? -14.395 12.465  -14.052 1.00 5.52  ? 52  LEU   A O    1 
ATOM   943  C CB   A LEU   A 1 52  ? -12.014 10.383  -12.999 0.62 4.83  ? 52  LEU   A CB   1 
ATOM   944  C CB   B LEU   A 1 52  ? -12.176 10.292  -12.926 0.38 6.16  ? 52  LEU   A CB   1 
ATOM   945  C CG   A LEU   A 1 52  ? -11.626 9.004   -12.490 0.62 6.41  ? 52  LEU   A CG   1 
ATOM   946  C CG   B LEU   A 1 52  ? -11.949 8.861   -12.456 0.38 7.13  ? 52  LEU   A CG   1 
ATOM   947  C CD1  A LEU   A 1 52  ? -10.314 9.066   -11.718 0.62 7.15  ? 52  LEU   A CD1  1 
ATOM   948  C CD1  B LEU   A 1 52  ? -11.120 8.879   -11.195 0.38 8.19  ? 52  LEU   A CD1  1 
ATOM   949  C CD2  A LEU   A 1 52  ? -12.728 8.412   -11.623 0.62 8.17  ? 52  LEU   A CD2  1 
ATOM   950  C CD2  B LEU   A 1 52  ? -13.257 8.098   -12.228 0.38 7.81  ? 52  LEU   A CD2  1 
ATOM   951  H H    A LEU   A 1 52  ? -11.917 9.840   -15.509 0.62 4.87  ? 52  LEU   A H    1 
ATOM   952  H H    B LEU   A 1 52  ? -11.911 9.840   -15.493 0.38 4.87  ? 52  LEU   A H    1 
ATOM   953  H HA   A LEU   A 1 52  ? -13.932 10.054  -13.718 0.62 5.21  ? 52  LEU   A HA   1 
ATOM   954  H HA   B LEU   A 1 52  ? -14.019 10.066  -13.802 0.38 4.99  ? 52  LEU   A HA   1 
ATOM   955  H HB2  A LEU   A 1 52  ? -11.213 10.787  -13.369 0.62 5.80  ? 52  LEU   A HB2  1 
ATOM   956  H HB2  B LEU   A 1 52  ? -11.319 10.650  -13.206 0.38 7.39  ? 52  LEU   A HB2  1 
ATOM   957  H HB3  A LEU   A 1 52  ? -12.320 10.894  -12.233 0.62 5.80  ? 52  LEU   A HB3  1 
ATOM   958  H HB3  B LEU   A 1 52  ? -12.517 10.799  -12.173 0.38 7.39  ? 52  LEU   A HB3  1 
ATOM   959  H HG   A LEU   A 1 52  ? -11.501 8.418   -13.253 0.62 7.69  ? 52  LEU   A HG   1 
ATOM   960  H HG   B LEU   A 1 52  ? -11.476 8.381   -13.153 0.38 8.56  ? 52  LEU   A HG   1 
ATOM   961  H HD11 A LEU   A 1 52  ? -10.155 8.206   -11.298 0.62 8.57  ? 52  LEU   A HD11 1 
ATOM   962  H HD11 B LEU   A 1 52  ? -10.880 7.969   -10.962 0.38 9.83  ? 52  LEU   A HD11 1 
ATOM   963  H HD12 A LEU   A 1 52  ? -9.594  9.271   -12.335 0.62 8.57  ? 52  LEU   A HD12 1 
ATOM   964  H HD12 B LEU   A 1 52  ? -10.319 9.404   -11.351 0.38 9.83  ? 52  LEU   A HD12 1 
ATOM   965  H HD13 A LEU   A 1 52  ? -10.378 9.758   -11.042 0.62 8.57  ? 52  LEU   A HD13 1 
ATOM   966  H HD13 B LEU   A 1 52  ? -11.642 9.277   -10.480 0.38 9.83  ? 52  LEU   A HD13 1 
ATOM   967  H HD21 A LEU   A 1 52  ? -12.480 7.509   -11.369 0.62 9.81  ? 52  LEU   A HD21 1 
ATOM   968  H HD21 B LEU   A 1 52  ? -13.054 7.229   -11.847 0.38 9.37  ? 52  LEU   A HD21 1 
ATOM   969  H HD22 A LEU   A 1 52  ? -12.835 8.960   -10.830 0.62 9.81  ? 52  LEU   A HD22 1 
ATOM   970  H HD22 B LEU   A 1 52  ? -13.816 8.604   -11.618 0.38 9.37  ? 52  LEU   A HD22 1 
ATOM   971  H HD23 A LEU   A 1 52  ? -13.556 8.398   -12.129 0.62 9.81  ? 52  LEU   A HD23 1 
ATOM   972  H HD23 B LEU   A 1 52  ? -13.711 7.988   -13.078 0.38 9.37  ? 52  LEU   A HD23 1 
ATOM   973  N N    . ILE   A 1 53  ? -12.387 12.505  -15.082 1.00 4.25  ? 53  ILE   A N    1 
ATOM   974  C CA   . ILE   A 1 53  ? -12.373 13.919  -15.400 1.00 4.48  ? 53  ILE   A CA   1 
ATOM   975  C C    . ILE   A 1 53  ? -12.047 14.060  -16.877 1.00 4.44  ? 53  ILE   A C    1 
ATOM   976  O O    . ILE   A 1 53  ? -11.235 13.299  -17.410 1.00 4.57  ? 53  ILE   A O    1 
ATOM   977  C CB   . ILE   A 1 53  ? -11.268 14.663  -14.594 1.00 5.22  ? 53  ILE   A CB   1 
ATOM   978  C CG1  . ILE   A 1 53  ? -11.437 14.461  -13.087 1.00 6.22  ? 53  ILE   A CG1  1 
ATOM   979  C CG2  . ILE   A 1 53  ? -11.201 16.138  -14.980 1.00 7.16  ? 53  ILE   A CG2  1 
ATOM   980  C CD1  . ILE   A 1 53  ? -12.701 14.999  -12.474 1.00 8.60  ? 53  ILE   A CD1  1 
ATOM   981  H H    . ILE   A 1 53  ? -11.687 12.097  -15.372 1.00 5.10  ? 53  ILE   A H    1 
ATOM   982  H HA   . ILE   A 1 53  ? -13.243 14.300  -15.204 1.00 5.38  ? 53  ILE   A HA   1 
ATOM   983  H HB   . ILE   A 1 53  ? -10.416 14.267  -14.832 1.00 6.27  ? 53  ILE   A HB   1 
ATOM   984  H HG12 . ILE   A 1 53  ? -11.417 13.508  -12.907 1.00 7.47  ? 53  ILE   A HG12 1 
ATOM   985  H HG13 . ILE   A 1 53  ? -10.696 14.899  -12.640 1.00 7.47  ? 53  ILE   A HG13 1 
ATOM   986  H HG21 . ILE   A 1 53  ? -10.611 16.599  -14.362 1.00 8.59  ? 53  ILE   A HG21 1 
ATOM   987  H HG22 . ILE   A 1 53  ? -10.857 16.213  -15.884 1.00 8.59  ? 53  ILE   A HG22 1 
ATOM   988  H HG23 . ILE   A 1 53  ? -12.092 16.518  -14.932 1.00 8.59  ? 53  ILE   A HG23 1 
ATOM   989  H HD11 . ILE   A 1 53  ? -12.620 14.973  -11.508 1.00 10.32 ? 53  ILE   A HD11 1 
ATOM   990  H HD12 . ILE   A 1 53  ? -12.832 15.913  -12.770 1.00 10.32 ? 53  ILE   A HD12 1 
ATOM   991  H HD13 . ILE   A 1 53  ? -13.449 14.450  -12.758 1.00 10.32 ? 53  ILE   A HD13 1 
ATOM   992  N N    . GLY   A 1 54  ? -12.645 15.055  -17.529 1.00 4.46  ? 54  GLY   A N    1 
ATOM   993  C CA   . GLY   A 1 54  ? -12.223 15.456  -18.852 1.00 4.62  ? 54  GLY   A CA   1 
ATOM   994  C C    . GLY   A 1 54  ? -12.230 16.962  -18.963 1.00 4.70  ? 54  GLY   A C    1 
ATOM   995  O O    . GLY   A 1 54  ? -12.756 17.662  -18.109 1.00 5.10  ? 54  GLY   A O    1 
ATOM   996  H H    . GLY   A 1 54  ? -13.303 15.513  -17.218 1.00 5.35  ? 54  GLY   A H    1 
ATOM   997  H HA2  . GLY   A 1 54  ? -11.326 15.131  -19.025 1.00 5.54  ? 54  GLY   A HA2  1 
ATOM   998  H HA3  . GLY   A 1 54  ? -12.826 15.088  -19.517 1.00 5.54  ? 54  GLY   A HA3  1 
ATOM   999  N N    . GLY   A 1 55  ? -11.609 17.452  -20.030 1.00 4.56  ? 55  GLY   A N    1 
ATOM   1000 C CA   . GLY   A 1 55  ? -11.607 18.881  -20.234 1.00 5.02  ? 55  GLY   A CA   1 
ATOM   1001 C C    . GLY   A 1 55  ? -11.021 19.651  -19.067 1.00 5.31  ? 55  GLY   A C    1 
ATOM   1002 O O    . GLY   A 1 55  ? -11.507 20.737  -18.737 1.00 6.12  ? 55  GLY   A O    1 
ATOM   1003 H H    . GLY   A 1 55  ? -11.198 16.989  -20.628 1.00 5.47  ? 55  GLY   A H    1 
ATOM   1004 H HA2  . GLY   A 1 55  ? -11.085 19.088  -21.025 1.00 6.03  ? 55  GLY   A HA2  1 
ATOM   1005 H HA3  . GLY   A 1 55  ? -12.519 19.184  -20.368 1.00 6.03  ? 55  GLY   A HA3  1 
ATOM   1006 N N    . ASN   A 1 56  ? -9.963  19.122  -18.453 1.00 4.71  ? 56  ASN   A N    1 
ATOM   1007 C CA   . ASN   A 1 56  ? -9.261  19.704  -17.308 1.00 5.53  ? 56  ASN   A CA   1 
ATOM   1008 C C    . ASN   A 1 56  ? -10.019 19.611  -15.985 1.00 5.18  ? 56  ASN   A C    1 
ATOM   1009 O O    . ASN   A 1 56  ? -9.435  19.294  -14.944 1.00 6.81  ? 56  ASN   A O    1 
ATOM   1010 C CB   . ASN   A 1 56  ? -8.859  21.158  -17.543 1.00 6.52  ? 56  ASN   A CB   1 
ATOM   1011 C CG   . ASN   A 1 56  ? -8.070  21.323  -18.825 1.00 6.29  ? 56  ASN   A CG   1 
ATOM   1012 O OD1  . ASN   A 1 56  ? -7.064  20.663  -19.036 1.00 6.81  ? 56  ASN   A OD1  1 
ATOM   1013 N ND2  . ASN   A 1 56  ? -8.567  22.177  -19.712 1.00 7.67  ? 56  ASN   A ND2  1 
ATOM   1014 H H    . ASN   A 1 56  ? -9.608  18.378  -18.696 1.00 5.66  ? 56  ASN   A H    1 
ATOM   1015 H HA   . ASN   A 1 56  ? -8.461  19.163  -17.219 1.00 6.64  ? 56  ASN   A HA   1 
ATOM   1016 H HB2  . ASN   A 1 56  ? -9.658  21.704  -17.606 1.00 7.82  ? 56  ASN   A HB2  1 
ATOM   1017 H HB3  . ASN   A 1 56  ? -8.307  21.461  -16.805 1.00 7.82  ? 56  ASN   A HB3  1 
ATOM   1018 H HD21 . ASN   A 1 56  ? -8.159  22.309  -20.458 1.00 9.20  ? 56  ASN   A HD21 1 
ATOM   1019 H HD22 . ASN   A 1 56  ? -9.297  22.598  -19.542 1.00 9.20  ? 56  ASN   A HD22 1 
ATOM   1020 N N    . LYS   A 1 57  ? -11.308 19.922  -16.006 1.00 5.52  ? 57  LYS   A N    1 
ATOM   1021 C CA   . LYS   A 1 57  ? -12.065 20.197  -14.787 1.00 6.46  ? 57  LYS   A CA   1 
ATOM   1022 C C    . LYS   A 1 57  ? -13.470 19.624  -14.771 1.00 6.22  ? 57  LYS   A C    1 
ATOM   1023 O O    . LYS   A 1 57  ? -14.182 19.854  -13.795 1.00 7.86  ? 57  LYS   A O    1 
ATOM   1024 C CB   . LYS   A 1 57  ? -12.127 21.707  -14.530 1.00 8.26  ? 57  LYS   A CB   1 
ATOM   1025 C CG   . LYS   A 1 57  ? -12.937 22.455  -15.578 1.00 12.54 ? 57  LYS   A CG   1 
ATOM   1026 C CD   . LYS   A 1 57  ? -12.943 23.944  -15.325 1.00 18.60 ? 57  LYS   A CD   1 
ATOM   1027 C CE   . LYS   A 1 57  ? -13.690 24.689  -16.434 1.00 25.53 ? 57  LYS   A CE   1 
ATOM   1028 N NZ   . LYS   A 1 57  ? -14.924 23.971  -16.919 1.00 31.10 ? 57  LYS   A NZ   1 
ATOM   1029 H H    . LYS   A 1 57  ? -11.778 19.982  -16.724 1.00 6.62  ? 57  LYS   A H    1 
ATOM   1030 H HA   . LYS   A 1 57  ? -11.592 19.787  -14.047 1.00 7.75  ? 57  LYS   A HA   1 
ATOM   1031 H HB2  . LYS   A 1 57  ? -12.539 21.862  -13.666 1.00 9.91  ? 57  LYS   A HB2  1 
ATOM   1032 H HB3  . LYS   A 1 57  ? -11.225 22.065  -14.537 1.00 9.91  ? 57  LYS   A HB3  1 
ATOM   1033 H HG2  . LYS   A 1 57  ? -12.551 22.297  -16.454 1.00 15.04 ? 57  LYS   A HG2  1 
ATOM   1034 H HG3  . LYS   A 1 57  ? -13.855 22.140  -15.558 1.00 15.04 ? 57  LYS   A HG3  1 
ATOM   1035 H HD2  . LYS   A 1 57  ? -13.385 24.127  -14.481 1.00 22.32 ? 57  LYS   A HD2  1 
ATOM   1036 H HD3  . LYS   A 1 57  ? -12.030 24.270  -15.298 1.00 22.32 ? 57  LYS   A HD3  1 
ATOM   1037 H HE2  . LYS   A 1 57  ? -13.965 25.557  -16.099 1.00 30.64 ? 57  LYS   A HE2  1 
ATOM   1038 H HE3  . LYS   A 1 57  ? -13.096 24.799  -17.192 1.00 30.64 ? 57  LYS   A HE3  1 
ATOM   1039 H HZ1  . LYS   A 1 57  ? -15.374 24.490  -17.486 1.00 37.32 ? 57  LYS   A HZ1  1 
ATOM   1040 H HZ2  . LYS   A 1 57  ? -14.695 23.219  -17.334 1.00 37.32 ? 57  LYS   A HZ2  1 
ATOM   1041 H HZ3  . LYS   A 1 57  ? -15.451 23.773  -16.230 1.00 37.32 ? 57  LYS   A HZ3  1 
ATOM   1042 N N    . ASN   A 1 58  ? -13.892 18.897  -15.790 1.00 5.99  ? 58  ASN   A N    1 
ATOM   1043 C CA   . ASN   A 1 58  ? -15.265 18.409  -15.860 1.00 6.12  ? 58  ASN   A CA   1 
ATOM   1044 C C    . ASN   A 1 58  ? -15.361 16.994  -15.308 1.00 6.15  ? 58  ASN   A C    1 
ATOM   1045 O O    . ASN   A 1 58  ? -14.715 16.078  -15.816 1.00 6.61  ? 58  ASN   A O    1 
ATOM   1046 C CB   . ASN   A 1 58  ? -15.760 18.433  -17.296 1.00 6.51  ? 58  ASN   A CB   1 
ATOM   1047 C CG   . ASN   A 1 58  ? -15.755 19.819  -17.869 1.00 8.72  ? 58  ASN   A CG   1 
ATOM   1048 O OD1  . ASN   A 1 58  ? -16.173 20.779  -17.214 1.00 11.32 ? 58  ASN   A OD1  1 
ATOM   1049 N ND2  . ASN   A 1 58  ? -15.297 19.947  -19.102 1.00 10.00 ? 58  ASN   A ND2  1 
ATOM   1050 H H    . ASN   A 1 58  ? -13.402 18.669  -16.459 1.00 7.19  ? 58  ASN   A H    1 
ATOM   1051 H HA   . ASN   A 1 58  ? -15.822 18.981  -15.309 1.00 7.35  ? 58  ASN   A HA   1 
ATOM   1052 H HB2  . ASN   A 1 58  ? -15.182 17.877  -17.842 1.00 7.81  ? 58  ASN   A HB2  1 
ATOM   1053 H HB3  . ASN   A 1 58  ? -16.669 18.096  -17.325 1.00 7.81  ? 58  ASN   A HB3  1 
ATOM   1054 H HD21 . ASN   A 1 58  ? -15.022 19.254  -19.532 1.00 12.00 ? 58  ASN   A HD21 1 
ATOM   1055 H HD22 . ASN   A 1 58  ? -15.274 20.721  -19.474 1.00 12.00 ? 58  ASN   A HD22 1 
ATOM   1056 N N    . ARG   A 1 59  ? -16.145 16.820  -14.251 1.00 6.60  ? 59  ARG   A N    1 
ATOM   1057 C CA   . ARG   A 1 59  ? -16.366 15.507  -13.680 1.00 7.06  ? 59  ARG   A CA   1 
ATOM   1058 C C    . ARG   A 1 59  ? -17.371 14.769  -14.528 1.00 7.47  ? 59  ARG   A C    1 
ATOM   1059 O O    . ARG   A 1 59  ? -18.453 15.289  -14.816 1.00 9.74  ? 59  ARG   A O    1 
ATOM   1060 C CB   . ARG   A 1 59  ? -16.910 15.661  -12.261 1.00 8.19  ? 59  ARG   A CB   1 
ATOM   1061 C CG   . ARG   A 1 59  ? -17.105 14.331  -11.543 1.00 8.39  ? 59  ARG   A CG   1 
ATOM   1062 C CD   . ARG   A 1 59  ? -17.807 14.511  -10.177 1.00 11.21 ? 59  ARG   A CD   1 
ATOM   1063 N NE   . ARG   A 1 59  ? -17.108 15.394  -9.270  1.00 10.09 ? 59  ARG   A NE   1 
ATOM   1064 C CZ   . ARG   A 1 59  ? -17.417 16.652  -9.005  1.00 9.71  ? 59  ARG   A CZ   1 
ATOM   1065 N NH1  . ARG   A 1 59  ? -18.543 17.204  -9.426  1.00 12.02 ? 59  ARG   A NH1  1 
ATOM   1066 N NH2  . ARG   A 1 59  ? -16.573 17.375  -8.290  1.00 12.48 ? 59  ARG   A NH2  1 
ATOM   1067 H H    . ARG   A 1 59  ? -16.561 17.453  -13.846 1.00 7.92  ? 59  ARG   A H    1 
ATOM   1068 H HA   . ARG   A 1 59  ? -15.538 15.003  -13.650 1.00 8.47  ? 59  ARG   A HA   1 
ATOM   1069 H HB2  . ARG   A 1 59  ? -16.286 16.192  -11.741 1.00 9.83  ? 59  ARG   A HB2  1 
ATOM   1070 H HB3  . ARG   A 1 59  ? -17.771 16.107  -12.301 1.00 9.83  ? 59  ARG   A HB3  1 
ATOM   1071 H HG2  . ARG   A 1 59  ? -17.654 13.749  -12.092 1.00 10.07 ? 59  ARG   A HG2  1 
ATOM   1072 H HG3  . ARG   A 1 59  ? -16.240 13.921  -11.388 1.00 10.07 ? 59  ARG   A HG3  1 
ATOM   1073 H HD2  . ARG   A 1 59  ? -18.691 14.881  -10.328 1.00 13.45 ? 59  ARG   A HD2  1 
ATOM   1074 H HD3  . ARG   A 1 59  ? -17.879 13.644  -9.748  1.00 13.45 ? 59  ARG   A HD3  1 
ATOM   1075 H HE   . ARG   A 1 59  ? -16.425 15.069  -8.862  1.00 12.11 ? 59  ARG   A HE   1 
ATOM   1076 H HH11 . ARG   A 1 59  ? -19.102 16.742  -9.888  1.00 14.42 ? 59  ARG   A HH11 1 
ATOM   1077 H HH12 . ARG   A 1 59  ? -18.716 18.025  -9.238  1.00 14.42 ? 59  ARG   A HH12 1 
ATOM   1078 H HH21 . ARG   A 1 59  ? -15.840 17.026  -8.007  1.00 14.97 ? 59  ARG   A HH21 1 
ATOM   1079 H HH22 . ARG   A 1 59  ? -16.757 18.195  -8.107  1.00 14.97 ? 59  ARG   A HH22 1 
ATOM   1080 N N    A ALA   A 1 60  ? -17.036 13.562  -14.922 0.87 7.14  ? 60  ALA   A N    1 
ATOM   1081 N N    B ALA   A 1 60  ? -17.026 13.551  -14.928 0.13 7.71  ? 60  ALA   A N    1 
ATOM   1082 C CA   A ALA   A 1 60  ? -17.935 12.815  -15.767 0.87 10.23 ? 60  ALA   A CA   1 
ATOM   1083 C CA   B ALA   A 1 60  ? -17.939 12.760  -15.730 0.13 8.52  ? 60  ALA   A CA   1 
ATOM   1084 C C    A ALA   A 1 60  ? -19.215 12.451  -15.021 0.87 10.80 ? 60  ALA   A C    1 
ATOM   1085 C C    B ALA   A 1 60  ? -19.131 12.313  -14.884 0.13 8.13  ? 60  ALA   A C    1 
ATOM   1086 O O    A ALA   A 1 60  ? -19.185 12.131  -13.828 0.87 10.99 ? 60  ALA   A O    1 
ATOM   1087 O O    B ALA   A 1 60  ? -19.005 12.122  -13.671 0.13 8.77  ? 60  ALA   A O    1 
ATOM   1088 C CB   A ALA   A 1 60  ? -17.257 11.552  -16.252 0.87 9.96  ? 60  ALA   A CB   1 
ATOM   1089 C CB   B ALA   A 1 60  ? -17.222 11.534  -16.283 0.13 9.31  ? 60  ALA   A CB   1 
ATOM   1090 H H    A ALA   A 1 60  ? -16.305 13.158  -14.718 0.87 8.57  ? 60  ALA   A H    1 
ATOM   1091 H H    B ALA   A 1 60  ? -16.278 13.167  -14.750 0.13 9.25  ? 60  ALA   A H    1 
ATOM   1092 H HA   A ALA   A 1 60  ? -18.181 13.360  -16.531 0.87 12.27 ? 60  ALA   A HA   1 
ATOM   1093 H HA   B ALA   A 1 60  ? -18.269 13.289  -16.473 0.13 10.22 ? 60  ALA   A HA   1 
ATOM   1094 H HB1  A ALA   A 1 60  ? -17.842 11.101  -16.882 0.87 11.95 ? 60  ALA   A HB1  1 
ATOM   1095 H HB1  B ALA   A 1 60  ? -17.832 11.042  -16.854 0.13 11.17 ? 60  ALA   A HB1  1 
ATOM   1096 H HB2  A ALA   A 1 60  ? -16.423 11.789  -16.687 0.87 11.95 ? 60  ALA   A HB2  1 
ATOM   1097 H HB2  B ALA   A 1 60  ? -16.451 11.824  -16.795 0.13 11.17 ? 60  ALA   A HB2  1 
ATOM   1098 H HB3  A ALA   A 1 60  ? -17.082 10.976  -15.492 0.87 11.95 ? 60  ALA   A HB3  1 
ATOM   1099 H HB3  B ALA   A 1 60  ? -16.936 10.975  -15.543 0.13 11.17 ? 60  ALA   A HB3  1 
ATOM   1100 N N    A PRO   A 1 61  ? -20.354 12.456  -15.704 0.87 11.80 ? 61  PRO   A N    1 
ATOM   1101 N N    B PRO   A 1 61  ? -20.304 12.153  -15.494 0.13 7.19  ? 61  PRO   A N    1 
ATOM   1102 C CA   A PRO   A 1 61  ? -21.598 12.041  -15.054 0.87 13.36 ? 61  PRO   A CA   1 
ATOM   1103 C CA   B PRO   A 1 61  ? -21.444 11.622  -14.742 0.13 6.06  ? 61  PRO   A CA   1 
ATOM   1104 C C    A PRO   A 1 61  ? -21.444 10.655  -14.434 0.87 11.30 ? 61  PRO   A C    1 
ATOM   1105 C C    B PRO   A 1 61  ? -21.177 10.191  -14.313 0.13 5.66  ? 61  PRO   A C    1 
ATOM   1106 O O    A PRO   A 1 61  ? -20.871 9.742   -15.043 0.87 12.53 ? 61  PRO   A O    1 
ATOM   1107 O O    B PRO   A 1 61  ? -20.467 9.437   -14.983 0.13 4.14  ? 61  PRO   A O    1 
ATOM   1108 C CB   A PRO   A 1 61  ? -22.618 12.055  -16.200 0.87 17.14 ? 61  PRO   A CB   1 
ATOM   1109 C CB   B PRO   A 1 61  ? -22.604 11.693  -15.742 0.13 6.86  ? 61  PRO   A CB   1 
ATOM   1110 C CG   A PRO   A 1 61  ? -21.894 12.389  -17.450 0.87 19.10 ? 61  PRO   A CG   1 
ATOM   1111 C CG   B PRO   A 1 61  ? -21.971 11.785  -17.082 0.13 9.32  ? 61  PRO   A CG   1 
ATOM   1112 C CD   A PRO   A 1 61  ? -20.542 12.889  -17.104 0.87 13.76 ? 61  PRO   A CD   1 
ATOM   1113 C CD   B PRO   A 1 61  ? -20.654 12.469  -16.890 0.13 9.62  ? 61  PRO   A CD   1 
ATOM   1114 H HA   A PRO   A 1 61  ? -21.873 12.677  -14.375 0.87 16.03 ? 61  PRO   A HA   1 
ATOM   1115 H HA   B PRO   A 1 61  ? -21.650 12.175  -13.972 0.13 7.27  ? 61  PRO   A HA   1 
ATOM   1116 H HB2  A PRO   A 1 61  ? -23.028 11.178  -16.272 0.87 20.56 ? 61  PRO   A HB2  1 
ATOM   1117 H HB2  B PRO   A 1 61  ? -23.147 10.892  -15.672 0.13 8.23  ? 61  PRO   A HB2  1 
ATOM   1118 H HB3  A PRO   A 1 61  ? -23.296 12.723  -16.014 0.87 20.56 ? 61  PRO   A HB3  1 
ATOM   1119 H HB3  B PRO   A 1 61  ? -23.144 12.477  -15.562 0.13 8.23  ? 61  PRO   A HB3  1 
ATOM   1120 H HG2  A PRO   A 1 61  ? -21.823 11.590  -17.996 0.87 22.92 ? 61  PRO   A HG2  1 
ATOM   1121 H HG2  B PRO   A 1 61  ? -21.841 10.893  -17.441 0.13 11.19 ? 61  PRO   A HG2  1 
ATOM   1122 H HG3  A PRO   A 1 61  ? -22.389 13.073  -17.927 0.87 22.92 ? 61  PRO   A HG3  1 
ATOM   1123 H HG3  B PRO   A 1 61  ? -22.540 12.301  -17.674 0.13 11.19 ? 61  PRO   A HG3  1 
ATOM   1124 H HD2  A PRO   A 1 61  ? -19.871 12.490  -17.680 0.87 16.51 ? 61  PRO   A HD2  1 
ATOM   1125 H HD2  B PRO   A 1 61  ? -19.989 12.115  -17.501 0.13 11.55 ? 61  PRO   A HD2  1 
ATOM   1126 H HD3  A PRO   A 1 61  ? -20.506 13.855  -17.172 0.87 16.51 ? 61  PRO   A HD3  1 
ATOM   1127 H HD3  B PRO   A 1 61  ? -20.742 13.427  -17.015 0.13 11.55 ? 61  PRO   A HD3  1 
ATOM   1128 N N    A GLY   A 1 62  ? -21.944 10.506  -13.202 0.87 12.98 ? 62  GLY   A N    1 
ATOM   1129 N N    B GLY   A 1 62  ? -21.746 9.825   -13.167 0.13 7.10  ? 62  GLY   A N    1 
ATOM   1130 C CA   A GLY   A 1 62  ? -21.862 9.256   -12.477 0.87 13.71 ? 62  GLY   A CA   1 
ATOM   1131 C CA   B GLY   A 1 62  ? -21.578 8.498   -12.628 0.13 8.41  ? 62  GLY   A CA   1 
ATOM   1132 C C    A GLY   A 1 62  ? -20.627 9.073   -11.623 0.87 11.69 ? 62  GLY   A C    1 
ATOM   1133 C C    B GLY   A 1 62  ? -20.354 8.314   -11.761 0.13 7.87  ? 62  GLY   A C    1 
ATOM   1134 O O    A GLY   A 1 62  ? -20.624 8.204   -10.733 0.87 15.61 ? 62  GLY   A O    1 
ATOM   1135 O O    B GLY   A 1 62  ? -20.217 7.259   -11.128 0.13 10.59 ? 62  GLY   A O    1 
ATOM   1136 H H    A GLY   A 1 62  ? -22.340 11.132  -12.766 0.87 15.57 ? 62  GLY   A H    1 
ATOM   1137 H H    B GLY   A 1 62  ? -22.239 10.339  -12.685 0.13 8.51  ? 62  GLY   A H    1 
ATOM   1138 H HA2  A GLY   A 1 62  ? -22.633 9.188   -11.894 0.87 16.45 ? 62  GLY   A HA2  1 
ATOM   1139 H HA2  B GLY   A 1 62  ? -22.356 8.280   -12.091 0.13 10.09 ? 62  GLY   A HA2  1 
ATOM   1140 H HA3  A GLY   A 1 62  ? -21.885 8.527   -13.117 0.87 16.45 ? 62  GLY   A HA3  1 
ATOM   1141 H HA3  B GLY   A 1 62  ? -21.515 7.869   -13.364 0.13 10.09 ? 62  GLY   A HA3  1 
ATOM   1142 N N    A VAL   A 1 63  ? -19.579 9.865   -11.848 0.87 9.15  ? 63  VAL   A N    1 
ATOM   1143 N N    B VAL   A 1 63  ? -19.459 9.295   -11.713 0.13 4.93  ? 63  VAL   A N    1 
ATOM   1144 C CA   A VAL   A 1 63  ? -18.350 9.772   -11.058 0.87 7.45  ? 63  VAL   A CA   1 
ATOM   1145 C CA   B VAL   A 1 63  ? -18.265 9.185   -10.879 0.13 4.30  ? 63  VAL   A CA   1 
ATOM   1146 C C    A VAL   A 1 63  ? -18.605 10.398  -9.696  0.87 6.72  ? 63  VAL   A C    1 
ATOM   1147 C C    B VAL   A 1 63  ? -18.503 9.930   -9.571  0.13 2.15  ? 63  VAL   A C    1 
ATOM   1148 O O    A VAL   A 1 63  ? -19.263 11.445  -9.616  0.87 6.94  ? 63  VAL   A O    1 
ATOM   1149 O O    B VAL   A 1 63  ? -19.248 10.921  -9.549  0.13 3.98  ? 63  VAL   A O    1 
ATOM   1150 C CB   A VAL   A 1 63  ? -17.204 10.475  -11.800 0.87 7.31  ? 63  VAL   A CB   1 
ATOM   1151 C CB   B VAL   A 1 63  ? -17.009 9.682   -11.615 0.13 8.21  ? 63  VAL   A CB   1 
ATOM   1152 C CG1  A VAL   A 1 63  ? -15.964 10.649  -10.885 0.87 6.99  ? 63  VAL   A CG1  1 
ATOM   1153 C CG1  B VAL   A 1 63  ? -17.148 9.475   -13.115 0.13 10.18 ? 63  VAL   A CG1  1 
ATOM   1154 C CG2  A VAL   A 1 63  ? -16.807 9.694   -13.031 0.87 10.02 ? 63  VAL   A CG2  1 
ATOM   1155 C CG2  B VAL   A 1 63  ? -16.731 11.142  -11.284 0.13 8.56  ? 63  VAL   A CG2  1 
ATOM   1156 H H    A VAL   A 1 63  ? -19.555 10.470  -12.458 0.87 10.98 ? 63  VAL   A H    1 
ATOM   1157 H H    B VAL   A 1 63  ? -19.520 10.032  -12.152 0.13 5.92  ? 63  VAL   A H    1 
ATOM   1158 H HA   A VAL   A 1 63  ? -18.108 8.843   -10.917 0.87 8.93  ? 63  VAL   A HA   1 
ATOM   1159 H HA   B VAL   A 1 63  ? -18.118 8.252   -10.661 0.13 5.16  ? 63  VAL   A HA   1 
ATOM   1160 H HB   A VAL   A 1 63  ? -17.519 11.354  -12.064 0.87 8.77  ? 63  VAL   A HB   1 
ATOM   1161 H HB   B VAL   A 1 63  ? -16.247 9.163   -11.314 0.13 9.86  ? 63  VAL   A HB   1 
ATOM   1162 H HG11 A VAL   A 1 63  ? -15.233 11.012  -11.410 0.87 8.39  ? 63  VAL   A HG11 1 
ATOM   1163 H HG11 B VAL   A 1 63  ? -16.288 9.627   -13.536 0.13 12.22 ? 63  VAL   A HG11 1 
ATOM   1164 H HG12 A VAL   A 1 63  ? -16.187 11.258  -10.164 0.87 8.39  ? 63  VAL   A HG12 1 
ATOM   1165 H HG12 B VAL   A 1 63  ? -17.442 8.565   -13.282 0.13 12.22 ? 63  VAL   A HG12 1 
ATOM   1166 H HG13 A VAL   A 1 63  ? -15.715 9.784   -10.524 0.87 8.39  ? 63  VAL   A HG13 1 
ATOM   1167 H HG13 B VAL   A 1 63  ? -17.802 10.102  -13.461 0.13 12.22 ? 63  VAL   A HG13 1 
ATOM   1168 H HG21 A VAL   A 1 63  ? -16.136 10.195  -13.520 0.87 12.02 ? 63  VAL   A HG21 1 
ATOM   1169 H HG21 B VAL   A 1 63  ? -16.088 11.492  -11.920 0.13 10.28 ? 63  VAL   A HG21 1 
ATOM   1170 H HG22 A VAL   A 1 63  ? -16.445 8.836   -12.757 0.87 12.02 ? 63  VAL   A HG22 1 
ATOM   1171 H HG22 B VAL   A 1 63  ? -17.560 11.642  -11.342 0.13 10.28 ? 63  VAL   A HG22 1 
ATOM   1172 H HG23 A VAL   A 1 63  ? -17.590 9.560   -13.586 0.87 12.02 ? 63  VAL   A HG23 1 
ATOM   1173 H HG23 B VAL   A 1 63  ? -16.372 11.199  -10.385 0.13 10.28 ? 63  VAL   A HG23 1 
ATOM   1174 N N    A PRO   A 1 64  ? -18.148 9.789   -8.611  0.87 7.05  ? 64  PRO   A N    1 
ATOM   1175 N N    B PRO   A 1 64  ? -17.900 9.490   -8.465  0.13 2.23  ? 64  PRO   A N    1 
ATOM   1176 C CA   A PRO   A 1 64  ? -18.392 10.363  -7.290  0.87 7.18  ? 64  PRO   A CA   1 
ATOM   1177 C CA   B PRO   A 1 64  ? -18.178 10.126  -7.171  0.13 4.41  ? 64  PRO   A CA   1 
ATOM   1178 C C    A PRO   A 1 64  ? -17.890 11.795  -7.171  0.87 7.01  ? 64  PRO   A C    1 
ATOM   1179 C C    B PRO   A 1 64  ? -17.744 11.585  -7.132  0.13 3.58  ? 64  PRO   A C    1 
ATOM   1180 O O    A PRO   A 1 64  ? -16.845 12.175  -7.698  0.87 7.02  ? 64  PRO   A O    1 
ATOM   1181 O O    B PRO   A 1 64  ? -16.711 11.966  -7.684  0.13 3.00  ? 64  PRO   A O    1 
ATOM   1182 C CB   A PRO   A 1 64  ? -17.640 9.406   -6.362  0.87 7.46  ? 64  PRO   A CB   1 
ATOM   1183 C CB   B PRO   A 1 64  ? -17.368 9.278   -6.182  0.13 4.38  ? 64  PRO   A CB   1 
ATOM   1184 C CG   A PRO   A 1 64  ? -17.706 8.081   -7.075  0.87 7.67  ? 64  PRO   A CG   1 
ATOM   1185 C CG   B PRO   A 1 64  ? -17.161 7.974   -6.864  0.13 3.37  ? 64  PRO   A CG   1 
ATOM   1186 C CD   A PRO   A 1 64  ? -17.526 8.459   -8.534  0.87 7.53  ? 64  PRO   A CD   1 
ATOM   1187 C CD   B PRO   A 1 64  ? -17.040 8.302   -8.320  0.13 3.34  ? 64  PRO   A CD   1 
ATOM   1188 H HA   A PRO   A 1 64  ? -19.339 10.355  -7.082  0.87 8.62  ? 64  PRO   A HA   1 
ATOM   1189 H HA   B PRO   A 1 64  ? -19.125 10.070  -6.971  0.13 5.29  ? 64  PRO   A HA   1 
ATOM   1190 H HB2  A PRO   A 1 64  ? -16.722 9.699   -6.251  0.87 8.95  ? 64  PRO   A HB2  1 
ATOM   1191 H HB2  B PRO   A 1 64  ? -16.520 9.710   -5.996  0.13 5.26  ? 64  PRO   A HB2  1 
ATOM   1192 H HB3  A PRO   A 1 64  ? -18.080 9.362   -5.499  0.87 8.95  ? 64  PRO   A HB3  1 
ATOM   1193 H HB3  B PRO   A 1 64  ? -17.870 9.164   -5.360  0.13 5.26  ? 64  PRO   A HB3  1 
ATOM   1194 H HG2  A PRO   A 1 64  ? -16.993 7.498   -6.771  0.87 9.21  ? 64  PRO   A HG2  1 
ATOM   1195 H HG2  B PRO   A 1 64  ? -16.350 7.556   -6.535  0.13 4.04  ? 64  PRO   A HG2  1 
ATOM   1196 H HG3  A PRO   A 1 64  ? -18.567 7.660   -6.923  0.87 9.21  ? 64  PRO   A HG3  1 
ATOM   1197 H HG3  B PRO   A 1 64  ? -17.922 7.394   -6.703  0.13 4.04  ? 64  PRO   A HG3  1 
ATOM   1198 H HD2  A PRO   A 1 64  ? -16.586 8.502   -8.767  0.87 9.04  ? 64  PRO   A HD2  1 
ATOM   1199 H HD2  B PRO   A 1 64  ? -16.121 8.510   -8.552  0.13 4.00  ? 64  PRO   A HD2  1 
ATOM   1200 H HD3  A PRO   A 1 64  ? -17.983 7.829   -9.113  0.87 9.04  ? 64  PRO   A HD3  1 
ATOM   1201 H HD3  B PRO   A 1 64  ? -17.363 7.571   -8.868  0.13 4.00  ? 64  PRO   A HD3  1 
ATOM   1202 N N    A ALA   A 1 65  ? -18.640 12.576  -6.389  0.87 5.77  ? 65  ALA   A N    1 
ATOM   1203 N N    B ALA   A 1 65  ? -18.533 12.396  -6.423  0.13 2.92  ? 65  ALA   A N    1 
ATOM   1204 C CA   A ALA   A 1 65  ? -18.348 13.974  -6.164  0.87 6.42  ? 65  ALA   A CA   1 
ATOM   1205 C CA   B ALA   A 1 65  ? -18.270 13.825  -6.346  0.13 3.61  ? 65  ALA   A CA   1 
ATOM   1206 C C    A ALA   A 1 65  ? -16.980 14.187  -5.527  0.87 5.67  ? 65  ALA   A C    1 
ATOM   1207 C C    B ALA   A 1 65  ? -16.990 14.147  -5.579  0.13 3.88  ? 65  ALA   A C    1 
ATOM   1208 O O    A ALA   A 1 65  ? -16.425 15.279  -5.670  0.87 7.45  ? 65  ALA   A O    1 
ATOM   1209 O O    B ALA   A 1 65  ? -16.496 15.273  -5.686  0.13 2.27  ? 65  ALA   A O    1 
ATOM   1210 C CB   A ALA   A 1 65  ? -19.423 14.577  -5.254  0.87 8.00  ? 65  ALA   A CB   1 
ATOM   1211 C CB   B ALA   A 1 65  ? -19.471 14.542  -5.728  0.13 4.27  ? 65  ALA   A CB   1 
ATOM   1212 H H    A ALA   A 1 65  ? -19.341 12.305  -5.971  0.87 6.93  ? 65  ALA   A H    1 
ATOM   1213 H H    B ALA   A 1 65  ? -19.224 12.140  -5.980  0.13 3.51  ? 65  ALA   A H    1 
ATOM   1214 H HA   A ALA   A 1 65  ? -18.357 14.434  -7.017  0.87 7.70  ? 65  ALA   A HA   1 
ATOM   1215 H HA   B ALA   A 1 65  ? -18.154 14.172  -7.244  0.13 4.34  ? 65  ALA   A HA   1 
ATOM   1216 H HB1  A ALA   A 1 65  ? -19.230 15.518  -5.117  0.87 9.60  ? 65  ALA   A HB1  1 
ATOM   1217 H HB1  B ALA   A 1 65  ? -19.217 15.452  -5.508  0.13 5.12  ? 65  ALA   A HB1  1 
ATOM   1218 H HB2  A ALA   A 1 65  ? -20.289 14.476  -5.680  0.87 9.60  ? 65  ALA   A HB2  1 
ATOM   1219 H HB2  B ALA   A 1 65  ? -20.200 14.549  -6.369  0.13 5.12  ? 65  ALA   A HB2  1 
ATOM   1220 H HB3  A ALA   A 1 65  ? -19.416 14.111  -4.404  0.87 9.60  ? 65  ALA   A HB3  1 
ATOM   1221 H HB3  B ALA   A 1 65  ? -19.742 14.071  -4.925  0.13 5.12  ? 65  ALA   A HB3  1 
ATOM   1222 N N    . ARG   A 1 66  ? -16.449 13.196  -4.808  1.00 5.23  ? 66  ARG   A N    1 
ATOM   1223 C CA   . ARG   A 1 66  ? -15.169 13.392  -4.146  1.00 5.61  ? 66  ARG   A CA   1 
ATOM   1224 C C    . ARG   A 1 66  ? -14.024 13.587  -5.130  1.00 4.95  ? 66  ARG   A C    1 
ATOM   1225 O O    . ARG   A 1 66  ? -12.954 14.043  -4.709  1.00 5.41  ? 66  ARG   A O    1 
ATOM   1226 C CB   . ARG   A 1 66  ? -14.871 12.236  -3.192  1.00 5.72  ? 66  ARG   A CB   1 
ATOM   1227 C CG   . ARG   A 1 66  ? -14.738 10.903  -3.858  1.00 5.67  ? 66  ARG   A CG   1 
ATOM   1228 C CD   . ARG   A 1 66  ? -14.486 9.823   -2.813  1.00 6.07  ? 66  ARG   A CD   1 
ATOM   1229 N NE   . ARG   A 1 66  ? -14.410 8.485   -3.372  1.00 6.35  ? 66  ARG   A NE   1 
ATOM   1230 C CZ   . ARG   A 1 66  ? -15.463 7.716   -3.601  1.00 6.24  ? 66  ARG   A CZ   1 
ATOM   1231 N NH1  . ARG   A 1 66  ? -16.693 8.124   -3.326  1.00 8.05  ? 66  ARG   A NH1  1 
ATOM   1232 N NH2  . ARG   A 1 66  ? -15.280 6.510   -4.116  1.00 7.29  ? 66  ARG   A NH2  1 
ATOM   1233 H H    A ARG   A 1 66  ? -16.804 12.422  -4.694  0.87 6.28  ? 66  ARG   A H    1 
ATOM   1234 H H    B ARG   A 1 66  ? -16.808 12.430  -4.656  0.13 6.28  ? 66  ARG   A H    1 
ATOM   1235 H HA   . ARG   A 1 66  ? -15.226 14.197  -3.607  1.00 6.73  ? 66  ARG   A HA   1 
ATOM   1236 H HB2  . ARG   A 1 66  ? -14.035 12.420  -2.735  1.00 6.87  ? 66  ARG   A HB2  1 
ATOM   1237 H HB3  . ARG   A 1 66  ? -15.594 12.172  -2.549  1.00 6.87  ? 66  ARG   A HB3  1 
ATOM   1238 H HG2  . ARG   A 1 66  ? -15.557 10.691  -4.333  1.00 6.80  ? 66  ARG   A HG2  1 
ATOM   1239 H HG3  . ARG   A 1 66  ? -13.991 10.919  -4.476  1.00 6.80  ? 66  ARG   A HG3  1 
ATOM   1240 H HD2  . ARG   A 1 66  ? -13.644 10.008  -2.368  1.00 7.28  ? 66  ARG   A HD2  1 
ATOM   1241 H HD3  . ARG   A 1 66  ? -15.211 9.835   -2.168  1.00 7.28  ? 66  ARG   A HD3  1 
ATOM   1242 H HE   . ARG   A 1 66  ? -13.632 8.173   -3.566  1.00 7.62  ? 66  ARG   A HE   1 
ATOM   1243 H HH11 . ARG   A 1 66  ? -16.822 8.906   -2.991  1.00 9.66  ? 66  ARG   A HH11 1 
ATOM   1244 H HH12 . ARG   A 1 66  ? -17.363 7.608   -3.483  1.00 9.66  ? 66  ARG   A HH12 1 
ATOM   1245 H HH21 . ARG   A 1 66  ? -14.485 6.236   -4.297  1.00 8.75  ? 66  ARG   A HH21 1 
ATOM   1246 H HH22 . ARG   A 1 66  ? -15.956 6.001   -4.269  1.00 8.75  ? 66  ARG   A HH22 1 
ATOM   1247 N N    . PHE   A 1 67  ? -14.196 13.240  -6.414  1.00 5.02  ? 67  PHE   A N    1 
ATOM   1248 C CA   . PHE   A 1 67  ? -13.167 13.486  -7.422  1.00 5.17  ? 67  PHE   A CA   1 
ATOM   1249 C C    . PHE   A 1 67  ? -13.363 14.861  -8.038  1.00 5.48  ? 67  PHE   A C    1 
ATOM   1250 O O    . PHE   A 1 67  ? -14.456 15.181  -8.491  1.00 6.68  ? 67  PHE   A O    1 
ATOM   1251 C CB   . PHE   A 1 67  ? -13.223 12.433  -8.540  1.00 5.13  ? 67  PHE   A CB   1 
ATOM   1252 C CG   . PHE   A 1 67  ? -12.896 11.042  -8.090  1.00 4.95  ? 67  PHE   A CG   1 
ATOM   1253 C CD1  . PHE   A 1 67  ? -11.603 10.623  -8.017  1.00 6.30  ? 67  PHE   A CD1  1 
ATOM   1254 C CD2  . PHE   A 1 67  ? -13.899 10.151  -7.738  1.00 6.99  ? 67  PHE   A CD2  1 
ATOM   1255 C CE1  . PHE   A 1 67  ? -11.279 9.352   -7.577  1.00 7.60  ? 67  PHE   A CE1  1 
ATOM   1256 C CE2  . PHE   A 1 67  ? -13.583 8.884   -7.301  1.00 7.98  ? 67  PHE   A CE2  1 
ATOM   1257 C CZ   . PHE   A 1 67  ? -12.279 8.482   -7.230  1.00 7.99  ? 67  PHE   A CZ   1 
ATOM   1258 H H    . PHE   A 1 67  ? -14.903 12.860  -6.721  1.00 6.03  ? 67  PHE   A H    1 
ATOM   1259 H HA   . PHE   A 1 67  ? -12.299 13.444  -6.990  1.00 6.21  ? 67  PHE   A HA   1 
ATOM   1260 H HB2  . PHE   A 1 67  ? -14.120 12.420  -8.909  1.00 6.15  ? 67  PHE   A HB2  1 
ATOM   1261 H HB3  . PHE   A 1 67  ? -12.585 12.677  -9.229  1.00 6.15  ? 67  PHE   A HB3  1 
ATOM   1262 H HD1  . PHE   A 1 67  ? -10.922 11.205  -8.268  1.00 7.56  ? 67  PHE   A HD1  1 
ATOM   1263 H HD2  . PHE   A 1 67  ? -14.790 10.410  -7.796  1.00 8.38  ? 67  PHE   A HD2  1 
ATOM   1264 H HE1  . PHE   A 1 67  ? -10.389 9.089   -7.518  1.00 9.12  ? 67  PHE   A HE1  1 
ATOM   1265 H HE2  . PHE   A 1 67  ? -14.261 8.298   -7.054  1.00 9.58  ? 67  PHE   A HE2  1 
ATOM   1266 H HZ   . PHE   A 1 67  ? -12.072 7.621   -6.946  1.00 9.59  ? 67  PHE   A HZ   1 
ATOM   1267 N N    . SER   A 1 68  ? -12.288 15.648  -8.137  1.00 5.34  ? 68  SER   A N    1 
ATOM   1268 C CA   A SER   A 1 68  ? -12.342 16.908  -8.858  0.55 5.01  ? 68  SER   A CA   1 
ATOM   1269 C CA   B SER   A 1 68  ? -12.324 16.940  -8.810  0.25 6.34  ? 68  SER   A CA   1 
ATOM   1270 C CA   C SER   A 1 68  ? -12.331 16.933  -8.820  0.20 6.46  ? 68  SER   A CA   1 
ATOM   1271 C C    . SER   A 1 68  ? -11.013 17.164  -9.541  1.00 5.87  ? 68  SER   A C    1 
ATOM   1272 O O    . SER   A 1 68  ? -9.962  16.754  -9.076  1.00 8.78  ? 68  SER   A O    1 
ATOM   1273 C CB   A SER   A 1 68  ? -12.698 18.056  -7.914  0.55 6.06  ? 68  SER   A CB   1 
ATOM   1274 C CB   B SER   A 1 68  ? -12.500 18.082  -7.807  0.25 7.20  ? 68  SER   A CB   1 
ATOM   1275 C CB   C SER   A 1 68  ? -12.580 18.074  -7.827  0.20 8.04  ? 68  SER   A CB   1 
ATOM   1276 O OG   A SER   A 1 68  ? -11.664 18.258  -6.967  0.55 7.00  ? 68  SER   A OG   1 
ATOM   1277 O OG   B SER   A 1 68  ? -13.827 18.137  -7.328  0.25 8.69  ? 68  SER   A OG   1 
ATOM   1278 O OG   C SER   A 1 68  ? -12.631 19.327  -8.486  0.20 9.34  ? 68  SER   A OG   1 
ATOM   1279 H H    A SER   A 1 68  ? -11.520 15.468  -7.794  0.55 6.41  ? 68  SER   A H    1 
ATOM   1280 H H    B SER   A 1 68  ? -11.515 15.447  -7.816  0.25 6.41  ? 68  SER   A H    1 
ATOM   1281 H H    C SER   A 1 68  ? -11.516 15.452  -7.812  0.20 6.41  ? 68  SER   A H    1 
ATOM   1282 H HA   A SER   A 1 68  ? -13.015 16.859  -9.555  0.55 6.01  ? 68  SER   A HA   1 
ATOM   1283 H HA   B SER   A 1 68  ? -13.055 16.943  -9.447  0.25 7.61  ? 68  SER   A HA   1 
ATOM   1284 H HA   C SER   A 1 68  ? -13.042 16.930  -9.480  0.20 7.75  ? 68  SER   A HA   1 
ATOM   1285 H HB2  A SER   A 1 68  ? -12.817 18.868  -8.432  0.55 7.27  ? 68  SER   A HB2  1 
ATOM   1286 H HB2  B SER   A 1 68  ? -11.900 17.939  -7.059  0.25 8.63  ? 68  SER   A HB2  1 
ATOM   1287 H HB2  C SER   A 1 68  ? -13.425 17.921  -7.378  0.20 9.64  ? 68  SER   A HB2  1 
ATOM   1288 H HB3  A SER   A 1 68  ? -13.519 17.838  -7.445  0.55 7.27  ? 68  SER   A HB3  1 
ATOM   1289 H HB3  B SER   A 1 68  ? -12.289 18.921  -8.246  0.25 8.63  ? 68  SER   A HB3  1 
ATOM   1290 H HB3  C SER   A 1 68  ? -11.858 18.090  -7.179  0.20 9.64  ? 68  SER   A HB3  1 
ATOM   1291 H HG   A SER   A 1 68  ? -11.512 17.544  -6.551  0.55 8.40  ? 68  SER   A HG   1 
ATOM   1292 H HG   B SER   A 1 68  ? -14.351 18.331  -7.954  0.25 10.43 ? 68  SER   A HG   1 
ATOM   1293 H HG   C SER   A 1 68  ? -13.237 19.321  -9.068  0.20 11.20 ? 68  SER   A HG   1 
ATOM   1294 N N    . GLY   A 1 69  ? -11.080 17.834  -10.683 1.00 6.08  ? 69  GLY   A N    1 
ATOM   1295 C CA   . GLY   A 1 69  ? -9.889  18.146  -11.455 1.00 5.88  ? 69  GLY   A CA   1 
ATOM   1296 C C    . GLY   A 1 69  ? -9.776  19.638  -11.646 1.00 5.78  ? 69  GLY   A C    1 
ATOM   1297 O O    . GLY   A 1 69  ? -10.780 20.334  -11.789 1.00 7.48  ? 69  GLY   A O    1 
ATOM   1298 H H    . GLY   A 1 69  ? -11.811 18.121  -11.034 1.00 7.30  ? 69  GLY   A H    1 
ATOM   1299 H HA2  . GLY   A 1 69  ? -9.100  17.826  -10.989 1.00 7.05  ? 69  GLY   A HA2  1 
ATOM   1300 H HA3  . GLY   A 1 69  ? -9.936  17.718  -12.324 1.00 7.05  ? 69  GLY   A HA3  1 
ATOM   1301 N N    . SER   A 1 70  ? -8.534  20.105  -11.737 1.00 6.41  ? 70  SER   A N    1 
ATOM   1302 C CA   . SER   A 1 70  ? -8.258  21.507  -12.015 1.00 8.24  ? 70  SER   A CA   1 
ATOM   1303 C C    . SER   A 1 70  ? -6.857  21.648  -12.602 1.00 6.91  ? 70  SER   A C    1 
ATOM   1304 O O    . SER   A 1 70  ? -6.061  20.722  -12.563 1.00 8.29  ? 70  SER   A O    1 
ATOM   1305 C CB   . SER   A 1 70  ? -8.377  22.339  -10.730 1.00 14.10 ? 70  SER   A CB   1 
ATOM   1306 O OG   . SER   A 1 70  ? -7.399  21.904  -9.805  1.00 20.01 ? 70  SER   A OG   1 
ATOM   1307 H H    . SER   A 1 70  ? -7.828  19.624  -11.640 1.00 7.69  ? 70  SER   A H    1 
ATOM   1308 H HA   . SER   A 1 70  ? -8.891  21.826  -12.678 1.00 9.88  ? 70  SER   A HA   1 
ATOM   1309 H HB2  . SER   A 1 70  ? -8.231  23.275  -10.937 1.00 16.92 ? 70  SER   A HB2  1 
ATOM   1310 H HB3  . SER   A 1 70  ? -9.260  22.217  -10.347 1.00 16.92 ? 70  SER   A HB3  1 
ATOM   1311 H HG   . SER   A 1 70  ? -7.454  22.352  -9.097  1.00 24.02 ? 70  SER   A HG   1 
ATOM   1312 N N    . LEU   A 1 71  ? -6.573  22.830  -13.141 1.00 8.60  ? 71  LEU   A N    1 
ATOM   1313 C CA   . LEU   A 1 71  ? -5.213  23.246  -13.460 1.00 7.71  ? 71  LEU   A CA   1 
ATOM   1314 C C    . LEU   A 1 71  ? -4.783  24.230  -12.375 1.00 9.54  ? 71  LEU   A C    1 
ATOM   1315 O O    . LEU   A 1 71  ? -5.481  25.213  -12.118 1.00 10.97 ? 71  LEU   A O    1 
ATOM   1316 C CB   . LEU   A 1 71  ? -5.126  23.916  -14.831 1.00 8.10  ? 71  LEU   A CB   1 
ATOM   1317 C CG   . LEU   A 1 71  ? -5.604  23.071  -16.016 1.00 7.96  ? 71  LEU   A CG   1 
ATOM   1318 C CD1  . LEU   A 1 71  ? -5.306  23.791  -17.318 1.00 11.17 ? 71  LEU   A CD1  1 
ATOM   1319 C CD2  . LEU   A 1 71  ? -4.986  21.686  -16.027 1.00 7.44  ? 71  LEU   A CD2  1 
ATOM   1320 H H    . LEU   A 1 71  ? -7.166  23.421  -13.335 1.00 10.32 ? 71  LEU   A H    1 
ATOM   1321 H HA   . LEU   A 1 71  ? -4.622  22.476  -13.479 1.00 9.25  ? 71  LEU   A HA   1 
ATOM   1322 H HB2  . LEU   A 1 71  ? -5.670  24.718  -14.812 1.00 9.72  ? 71  LEU   A HB2  1 
ATOM   1323 H HB3  . LEU   A 1 71  ? -4.199  24.147  -14.998 1.00 9.72  ? 71  LEU   A HB3  1 
ATOM   1324 H HG   . LEU   A 1 71  ? -6.562  22.948  -15.927 1.00 9.55  ? 71  LEU   A HG   1 
ATOM   1325 H HD11 . LEU   A 1 71  ? -5.423  23.172  -18.055 1.00 13.41 ? 71  LEU   A HD11 1 
ATOM   1326 H HD12 . LEU   A 1 71  ? -5.917  24.538  -17.412 1.00 13.41 ? 71  LEU   A HD12 1 
ATOM   1327 H HD13 . LEU   A 1 71  ? -4.391  24.113  -17.298 1.00 13.41 ? 71  LEU   A HD13 1 
ATOM   1328 H HD21 . LEU   A 1 71  ? -5.251  21.229  -16.841 1.00 8.93  ? 71  LEU   A HD21 1 
ATOM   1329 H HD22 . LEU   A 1 71  ? -4.021  21.770  -15.995 1.00 8.93  ? 71  LEU   A HD22 1 
ATOM   1330 H HD23 . LEU   A 1 71  ? -5.302  21.193  -15.254 1.00 8.93  ? 71  LEU   A HD23 1 
ATOM   1331 N N    A ILE   A 1 72  ? -3.700  23.923  -11.686 0.58 9.87  ? 72  ILE   A N    1 
ATOM   1332 N N    B ILE   A 1 72  ? -3.630  23.970  -11.750 0.42 9.01  ? 72  ILE   A N    1 
ATOM   1333 C CA   A ILE   A 1 72  ? -3.241  24.730  -10.564 0.58 12.05 ? 72  ILE   A CA   1 
ATOM   1334 C CA   B ILE   A 1 72  ? -3.068  24.839  -10.709 0.42 10.01 ? 72  ILE   A CA   1 
ATOM   1335 C C    A ILE   A 1 72  ? -1.788  25.046  -10.845 0.58 12.45 ? 72  ILE   A C    1 
ATOM   1336 C C    B ILE   A 1 72  ? -1.565  24.602  -10.641 0.42 10.47 ? 72  ILE   A C    1 
ATOM   1337 O O    A ILE   A 1 72  ? -0.965  24.134  -10.968 0.58 11.52 ? 72  ILE   A O    1 
ATOM   1338 O O    B ILE   A 1 72  ? -1.090  23.477  -10.818 0.42 9.92  ? 72  ILE   A O    1 
ATOM   1339 C CB   A ILE   A 1 72  ? -3.388  24.002  -9.213  0.58 12.54 ? 72  ILE   A CB   1 
ATOM   1340 C CB   B ILE   A 1 72  ? -3.697  24.594  -9.310  0.42 11.99 ? 72  ILE   A CB   1 
ATOM   1341 C CG1  A ILE   A 1 72  ? -4.826  23.506  -9.000  0.58 15.10 ? 72  ILE   A CG1  1 
ATOM   1342 C CG1  B ILE   A 1 72  ? -5.192  24.260  -9.378  0.42 18.34 ? 72  ILE   A CG1  1 
ATOM   1343 C CG2  A ILE   A 1 72  ? -2.966  24.920  -8.079  0.58 13.23 ? 72  ILE   A CG2  1 
ATOM   1344 C CG2  B ILE   A 1 72  ? -3.424  25.805  -8.406  0.42 13.38 ? 72  ILE   A CG2  1 
ATOM   1345 C CD1  A ILE   A 1 72  ? -5.039  22.766  -7.686  0.58 16.70 ? 72  ILE   A CD1  1 
ATOM   1346 C CD1  B ILE   A 1 72  ? -5.756  23.783  -8.060  0.42 20.92 ? 72  ILE   A CD1  1 
ATOM   1347 H H    A ILE   A 1 72  ? -3.204  23.240  -11.849 0.58 11.84 ? 72  ILE   A H    1 
ATOM   1348 H H    B ILE   A 1 72  ? -3.143  23.280  -11.913 0.42 10.82 ? 72  ILE   A H    1 
ATOM   1349 H HA   A ILE   A 1 72  ? -3.753  25.552  -10.508 0.58 14.46 ? 72  ILE   A HA   1 
ATOM   1350 H HA   B ILE   A 1 72  ? -3.252  25.753  -10.980 0.42 12.02 ? 72  ILE   A HA   1 
ATOM   1351 H HB   A ILE   A 1 72  ? -2.807  23.225  -9.225  0.58 15.04 ? 72  ILE   A HB   1 
ATOM   1352 H HB   B ILE   A 1 72  ? -3.273  23.809  -8.929  0.42 14.39 ? 72  ILE   A HB   1 
ATOM   1353 H HG12 A ILE   A 1 72  ? -5.423  24.270  -9.009  0.58 18.12 ? 72  ILE   A HG12 1 
ATOM   1354 H HG12 B ILE   A 1 72  ? -5.680  25.056  -9.641  0.42 22.00 ? 72  ILE   A HG12 1 
ATOM   1355 H HG13 A ILE   A 1 72  ? -5.055  22.898  -9.721  0.58 18.12 ? 72  ILE   A HG13 1 
ATOM   1356 H HG13 B ILE   A 1 72  ? -5.327  23.557  -10.032 0.42 22.00 ? 72  ILE   A HG13 1 
ATOM   1357 H HG21 A ILE   A 1 72  ? -2.996  24.426  -7.244  0.58 15.87 ? 72  ILE   A HG21 1 
ATOM   1358 H HG21 B ILE   A 1 72  ? -3.650  25.574  -7.492  0.42 16.05 ? 72  ILE   A HG21 1 
ATOM   1359 H HG22 A ILE   A 1 72  ? -2.064  25.234  -8.245  0.58 15.87 ? 72  ILE   A HG22 1 
ATOM   1360 H HG22 B ILE   A 1 72  ? -2.485  26.039  -8.466  0.42 16.05 ? 72  ILE   A HG22 1 
ATOM   1361 H HG23 A ILE   A 1 72  ? -3.576  25.674  -8.039  0.58 15.87 ? 72  ILE   A HG23 1 
ATOM   1362 H HG23 B ILE   A 1 72  ? -3.970  26.550  -8.703  0.42 16.05 ? 72  ILE   A HG23 1 
ATOM   1363 H HD11 A ILE   A 1 72  ? -5.898  22.318  -7.711  0.58 20.04 ? 72  ILE   A HD11 1 
ATOM   1364 H HD11 B ILE   A 1 72  ? -6.716  23.925  -8.058  0.42 25.10 ? 72  ILE   A HD11 1 
ATOM   1365 H HD12 A ILE   A 1 72  ? -4.329  22.114  -7.571  0.58 20.04 ? 72  ILE   A HD12 1 
ATOM   1366 H HD12 B ILE   A 1 72  ? -5.560  22.839  -7.956  0.42 25.10 ? 72  ILE   A HD12 1 
ATOM   1367 H HD13 A ILE   A 1 72  ? -5.021  23.406  -6.957  0.58 20.04 ? 72  ILE   A HD13 1 
ATOM   1368 H HD13 B ILE   A 1 72  ? -5.346  24.287  -7.340  0.42 25.10 ? 72  ILE   A HD13 1 
ATOM   1369 N N    A GLY   A 1 73  ? -1.466  26.325  -10.930 0.58 13.40 ? 73  GLY   A N    1 
ATOM   1370 N N    B GLY   A 1 73  ? -0.823  25.652  -10.300 0.42 12.20 ? 73  GLY   A N    1 
ATOM   1371 C CA   A GLY   A 1 73  ? -0.110  26.673  -11.283 0.58 14.43 ? 73  GLY   A CA   1 
ATOM   1372 C CA   B GLY   A 1 73  ? 0.612   25.506  -10.095 0.42 14.07 ? 73  GLY   A CA   1 
ATOM   1373 C C    A GLY   A 1 73  ? 0.178   26.100  -12.642 0.58 15.89 ? 73  GLY   A C    1 
ATOM   1374 C C    B GLY   A 1 73  ? 1.355   24.916  -11.274 0.42 13.68 ? 73  GLY   A C    1 
ATOM   1375 O O    A GLY   A 1 73  ? -0.575  26.320  -13.593 0.58 18.78 ? 73  GLY   A O    1 
ATOM   1376 O O    B GLY   A 1 73  ? 2.279   24.116  -11.084 0.42 15.31 ? 73  GLY   A O    1 
ATOM   1377 H H    A GLY   A 1 73  ? -1.997  26.987  -10.793 0.58 16.08 ? 73  GLY   A H    1 
ATOM   1378 H H    B GLY   A 1 73  ? -1.123  26.450  -10.183 0.42 14.64 ? 73  GLY   A H    1 
ATOM   1379 H HA2  A GLY   A 1 73  ? -0.004  27.637  -11.310 0.58 17.32 ? 73  GLY   A HA2  1 
ATOM   1380 H HA2  B GLY   A 1 73  ? 0.992   26.379  -9.911  0.42 16.88 ? 73  GLY   A HA2  1 
ATOM   1381 H HA3  A GLY   A 1 73  ? 0.513   26.304  -10.638 0.58 17.32 ? 73  GLY   A HA3  1 
ATOM   1382 H HA3  B GLY   A 1 73  ? 0.762   24.929  -9.330  0.42 16.88 ? 73  GLY   A HA3  1 
ATOM   1383 N N    A ASP   A 1 74  ? 1.247   25.313  -12.724 0.58 14.33 ? 74  ASP   A N    1 
ATOM   1384 N N    B ASP   A 1 74  ? 0.977   25.302  -12.495 0.42 15.06 ? 74  ASP   A N    1 
ATOM   1385 C CA   A ASP   A 1 74  ? 1.701   24.766  -13.988 0.58 13.11 ? 74  ASP   A CA   1 
ATOM   1386 C CA   B ASP   A 1 74  ? 1.576   24.871  -13.761 0.42 15.60 ? 74  ASP   A CA   1 
ATOM   1387 C C    A ASP   A 1 74  ? 1.331   23.305  -14.192 0.58 8.70  ? 74  ASP   A C    1 
ATOM   1388 C C    B ASP   A 1 74  ? 1.349   23.400  -14.082 0.42 11.98 ? 74  ASP   A C    1 
ATOM   1389 O O    A ASP   A 1 74  ? 1.774   22.724  -15.181 0.58 8.08  ? 74  ASP   A O    1 
ATOM   1390 O O    B ASP   A 1 74  ? 1.955   22.886  -15.035 0.42 10.35 ? 74  ASP   A O    1 
ATOM   1391 C CB   A ASP   A 1 74  ? 3.212   24.954  -14.120 0.58 15.63 ? 74  ASP   A CB   1 
ATOM   1392 C CB   B ASP   A 1 74  ? 3.067   25.215  -13.878 0.42 18.97 ? 74  ASP   A CB   1 
ATOM   1393 C CG   A ASP   A 1 74  ? 3.612   26.416  -14.132 0.58 22.76 ? 74  ASP   A CG   1 
ATOM   1394 C CG   B ASP   A 1 74  ? 3.958   24.281  -13.079 0.42 24.80 ? 74  ASP   A CG   1 
ATOM   1395 O OD1  A ASP   A 1 74  ? 2.708   27.276  -14.254 0.58 24.25 ? 74  ASP   A OD1  1 
ATOM   1396 O OD1  B ASP   A 1 74  ? 4.150   23.121  -13.494 0.42 28.68 ? 74  ASP   A OD1  1 
ATOM   1397 O OD2  A ASP   A 1 74  ? 4.823   26.701  -14.022 0.58 27.76 ? 74  ASP   A OD2  1 
ATOM   1398 O OD2  B ASP   A 1 74  ? 4.477   24.720  -12.030 0.42 28.60 ? 74  ASP   A OD2  1 
ATOM   1399 H H    A ASP   A 1 74  ? 1.728   25.082  -12.050 0.58 17.19 ? 74  ASP   A H    1 
ATOM   1400 H H    B ASP   A 1 74  ? 0.329   25.853  -12.623 0.42 18.07 ? 74  ASP   A H    1 
ATOM   1401 H HA   A ASP   A 1 74  ? 1.269   25.262  -14.701 0.58 15.73 ? 74  ASP   A HA   1 
ATOM   1402 H HA   B ASP   A 1 74  ? 1.122   25.374  -14.455 0.42 18.72 ? 74  ASP   A HA   1 
ATOM   1403 H HB2  A ASP   A 1 74  ? 3.652   24.527  -13.368 0.58 18.76 ? 74  ASP   A HB2  1 
ATOM   1404 H HB2  B ASP   A 1 74  ? 3.332   25.156  -14.810 0.42 22.76 ? 74  ASP   A HB2  1 
ATOM   1405 H HB3  A ASP   A 1 74  ? 3.511   24.553  -14.951 0.58 18.76 ? 74  ASP   A HB3  1 
ATOM   1406 H HB3  B ASP   A 1 74  ? 3.209   26.116  -13.550 0.42 22.76 ? 74  ASP   A HB3  1 
ATOM   1407 N N    . LYS   A 1 75  ? 0.481   22.723  -13.337 1.00 10.29 ? 75  LYS   A N    1 
ATOM   1408 C CA   A LYS   A 1 75  ? 0.179   21.305  -13.403 0.66 8.41  ? 75  LYS   A CA   1 
ATOM   1409 C CA   B LYS   A 1 75  ? 0.188   21.320  -13.544 0.34 9.83  ? 75  LYS   A CA   1 
ATOM   1410 C C    . LYS   A 1 75  ? -1.317  21.083  -13.548 1.00 6.68  ? 75  LYS   A C    1 
ATOM   1411 O O    . LYS   A 1 75  ? -2.130  21.958  -13.249 1.00 8.47  ? 75  LYS   A O    1 
ATOM   1412 C CB   A LYS   A 1 75  ? 0.680   20.587  -12.146 0.66 10.11 ? 75  LYS   A CB   1 
ATOM   1413 C CB   B LYS   A 1 75  ? 0.869   20.446  -12.480 0.34 12.75 ? 75  LYS   A CB   1 
ATOM   1414 C CG   A LYS   A 1 75  ? 2.195   20.550  -12.049 0.66 12.84 ? 75  LYS   A CG   1 
ATOM   1415 C CG   B LYS   A 1 75  ? 0.432   20.737  -11.059 0.34 16.34 ? 75  LYS   A CG   1 
ATOM   1416 C CD   A LYS   A 1 75  ? 2.600   20.248  -10.618 0.66 19.18 ? 75  LYS   A CD   1 
ATOM   1417 C CD   B LYS   A 1 75  ? 1.612   20.632  -10.083 0.34 19.70 ? 75  LYS   A CD   1 
ATOM   1418 C CE   A LYS   A 1 75  ? 3.717   19.231  -10.502 0.66 25.26 ? 75  LYS   A CE   1 
ATOM   1419 C CE   B LYS   A 1 75  ? 1.238   21.041  -8.664  0.34 20.18 ? 75  LYS   A CE   1 
ATOM   1420 N NZ   A LYS   A 1 75  ? 3.789   18.693  -9.112  0.66 25.75 ? 75  LYS   A NZ   1 
ATOM   1421 N NZ   B LYS   A 1 75  ? 0.035   21.901  -8.605  0.34 16.84 ? 75  LYS   A NZ   1 
ATOM   1422 H H    A LYS   A 1 75  ? 0.070   23.140  -12.707 0.58 12.35 ? 75  LYS   A H    1 
ATOM   1423 H H    B LYS   A 1 75  ? 0.039   23.071  -12.686 0.42 12.35 ? 75  LYS   A H    1 
ATOM   1424 H HA   A LYS   A 1 75  ? 0.612   20.923  -14.182 0.66 10.10 ? 75  LYS   A HA   1 
ATOM   1425 H HA   B LYS   A 1 75  ? 0.520   21.059  -14.417 0.34 11.80 ? 75  LYS   A HA   1 
ATOM   1426 H HB2  A LYS   A 1 75  ? 0.341   21.048  -11.364 0.66 12.14 ? 75  LYS   A HB2  1 
ATOM   1427 H HB2  B LYS   A 1 75  ? 0.664   19.517  -12.665 0.34 15.30 ? 75  LYS   A HB2  1 
ATOM   1428 H HB3  A LYS   A 1 75  ? 0.358   19.672  -12.157 0.66 12.14 ? 75  LYS   A HB3  1 
ATOM   1429 H HB3  B LYS   A 1 75  ? 1.827   20.591  -12.527 0.34 15.30 ? 75  LYS   A HB3  1 
ATOM   1430 H HG2  A LYS   A 1 75  ? 2.546   19.855  -12.628 0.66 15.40 ? 75  LYS   A HG2  1 
ATOM   1431 H HG2  B LYS   A 1 75  ? 0.073   21.637  -11.009 0.34 19.61 ? 75  LYS   A HG2  1 
ATOM   1432 H HG3  A LYS   A 1 75  ? 2.563   21.411  -12.304 0.66 15.40 ? 75  LYS   A HG3  1 
ATOM   1433 H HG3  B LYS   A 1 75  ? -0.245  20.096  -10.792 0.34 19.61 ? 75  LYS   A HG3  1 
ATOM   1434 H HD2  A LYS   A 1 75  ? 2.903   21.069  -10.199 0.66 23.01 ? 75  LYS   A HD2  1 
ATOM   1435 H HD2  B LYS   A 1 75  ? 1.922   19.713  -10.059 0.34 23.64 ? 75  LYS   A HD2  1 
ATOM   1436 H HD3  A LYS   A 1 75  ? 1.831   19.897  -10.142 0.66 23.01 ? 75  LYS   A HD3  1 
ATOM   1437 H HD3  B LYS   A 1 75  ? 2.326   21.214  -10.385 0.34 23.64 ? 75  LYS   A HD3  1 
ATOM   1438 H HE2  A LYS   A 1 75  ? 3.550   18.495  -11.111 0.66 30.31 ? 75  LYS   A HE2  1 
ATOM   1439 H HE2  B LYS   A 1 75  ? 1.060   20.243  -8.143  0.34 24.22 ? 75  LYS   A HE2  1 
ATOM   1440 H HE3  A LYS   A 1 75  ? 4.564   19.653  -10.715 0.66 30.31 ? 75  LYS   A HE3  1 
ATOM   1441 H HE3  B LYS   A 1 75  ? 1.977   21.534  -8.274  0.34 24.22 ? 75  LYS   A HE3  1 
ATOM   1442 H HZ1  A LYS   A 1 75  ? 4.460   18.113  -9.045  0.66 30.90 ? 75  LYS   A HZ1  1 
ATOM   1443 H HZ1  B LYS   A 1 75  ? -0.110  22.164  -7.767  0.34 20.20 ? 75  LYS   A HZ1  1 
ATOM   1444 H HZ2  A LYS   A 1 75  ? 3.922   19.357  -8.535  0.66 30.90 ? 75  LYS   A HZ2  1 
ATOM   1445 H HZ2  B LYS   A 1 75  ? 0.148   22.619  -9.118  0.34 20.20 ? 75  LYS   A HZ2  1 
ATOM   1446 H HZ3  A LYS   A 1 75  ? 3.028   18.279  -8.906  0.66 30.90 ? 75  LYS   A HZ3  1 
ATOM   1447 H HZ3  B LYS   A 1 75  ? -0.676  21.450  -8.893  0.34 20.20 ? 75  LYS   A HZ3  1 
ATOM   1448 N N    . ALA   A 1 76  ? -1.669  19.885  -13.960 1.00 6.18  ? 76  ALA   A N    1 
ATOM   1449 C CA   . ALA   A 1 76  ? -3.028  19.402  -13.791 1.00 5.80  ? 76  ALA   A CA   1 
ATOM   1450 C C    . ALA   A 1 76  ? -3.092  18.625  -12.485 1.00 5.35  ? 76  ALA   A C    1 
ATOM   1451 O O    . ALA   A 1 76  ? -2.147  17.917  -12.137 1.00 6.10  ? 76  ALA   A O    1 
ATOM   1452 C CB   . ALA   A 1 76  ? -3.451  18.506  -14.952 1.00 6.07  ? 76  ALA   A CB   1 
ATOM   1453 H H    . ALA   A 1 76  ? -1.139  19.326  -14.342 1.00 7.42  ? 76  ALA   A H    1 
ATOM   1454 H HA   . ALA   A 1 76  ? -3.650  20.146  -13.768 1.00 6.95  ? 76  ALA   A HA   1 
ATOM   1455 H HB1  . ALA   A 1 76  ? -4.349  18.178  -14.787 1.00 7.29  ? 76  ALA   A HB1  1 
ATOM   1456 H HB2  . ALA   A 1 76  ? -3.433  19.022  -15.772 1.00 7.29  ? 76  ALA   A HB2  1 
ATOM   1457 H HB3  . ALA   A 1 76  ? -2.834  17.760  -15.017 1.00 7.29  ? 76  ALA   A HB3  1 
ATOM   1458 N N    . VAL   A 1 77  ? -4.207  18.756  -11.771 1.00 5.28  ? 77  VAL   A N    1 
ATOM   1459 C CA   . VAL   A 1 77  ? -4.360  18.176  -10.443 1.00 5.01  ? 77  VAL   A CA   1 
ATOM   1460 C C    . VAL   A 1 77  ? -5.689  17.450  -10.347 1.00 5.22  ? 77  VAL   A C    1 
ATOM   1461 O O    . VAL   A 1 77  ? -6.732  18.015  -10.671 1.00 7.20  ? 77  VAL   A O    1 
ATOM   1462 C CB   . VAL   A 1 77  ? -4.272  19.265  -9.359  1.00 6.79  ? 77  VAL   A CB   1 
ATOM   1463 C CG1  . VAL   A 1 77  ? -4.422  18.665  -7.984  1.00 8.21  ? 77  VAL   A CG1  1 
ATOM   1464 C CG2  . VAL   A 1 77  ? -2.940  20.001  -9.473  1.00 8.72  ? 77  VAL   A CG2  1 
ATOM   1465 H H    . VAL   A 1 77  ? -4.901  19.185  -12.042 1.00 6.34  ? 77  VAL   A H    1 
ATOM   1466 H HA   . VAL   A 1 77  ? -3.661  17.517  -10.306 1.00 6.02  ? 77  VAL   A HA   1 
ATOM   1467 H HB   . VAL   A 1 77  ? -4.995  19.899  -9.489  1.00 8.15  ? 77  VAL   A HB   1 
ATOM   1468 H HG11 . VAL   A 1 77  ? -4.379  19.374  -7.324  1.00 9.85  ? 77  VAL   A HG11 1 
ATOM   1469 H HG12 . VAL   A 1 77  ? -5.278  18.212  -7.929  1.00 9.85  ? 77  VAL   A HG12 1 
ATOM   1470 H HG13 . VAL   A 1 77  ? -3.702  18.032  -7.836  1.00 9.85  ? 77  VAL   A HG13 1 
ATOM   1471 H HG21 . VAL   A 1 77  ? -2.857  20.621  -8.732  1.00 10.46 ? 77  VAL   A HG21 1 
ATOM   1472 H HG22 . VAL   A 1 77  ? -2.218  19.354  -9.445  1.00 10.46 ? 77  VAL   A HG22 1 
ATOM   1473 H HG23 . VAL   A 1 77  ? -2.917  20.485  -10.314 1.00 10.46 ? 77  VAL   A HG23 1 
ATOM   1474 N N    . LEU   A 1 78  ? -5.651  16.220  -9.869  1.00 4.88  ? 78  LEU   A N    1 
ATOM   1475 C CA   . LEU   A 1 78  ? -6.830  15.459  -9.480  1.00 4.82  ? 78  LEU   A CA   1 
ATOM   1476 C C    . LEU   A 1 78  ? -6.820  15.400  -7.964  1.00 4.75  ? 78  LEU   A C    1 
ATOM   1477 O O    . LEU   A 1 78  ? -5.834  14.980  -7.357  1.00 6.03  ? 78  LEU   A O    1 
ATOM   1478 C CB   . LEU   A 1 78  ? -6.780  14.051  -10.059 1.00 5.40  ? 78  LEU   A CB   1 
ATOM   1479 C CG   . LEU   A 1 78  ? -7.923  13.119  -9.669  1.00 5.75  ? 78  LEU   A CG   1 
ATOM   1480 C CD1  . LEU   A 1 78  ? -9.230  13.571  -10.241 1.00 8.56  ? 78  LEU   A CD1  1 
ATOM   1481 C CD2  . LEU   A 1 78  ? -7.608  11.694  -10.073 1.00 7.76  ? 78  LEU   A CD2  1 
ATOM   1482 H H    . LEU   A 1 78  ? -4.920  15.781  -9.755  1.00 5.86  ? 78  LEU   A H    1 
ATOM   1483 H HA   . LEU   A 1 78  ? -7.641  15.887  -9.798  1.00 5.79  ? 78  LEU   A HA   1 
ATOM   1484 H HB2  . LEU   A 1 78  ? -6.786  14.122  -11.026 1.00 6.48  ? 78  LEU   A HB2  1 
ATOM   1485 H HB3  . LEU   A 1 78  ? -5.957  13.632  -9.762  1.00 6.48  ? 78  LEU   A HB3  1 
ATOM   1486 H HG   . LEU   A 1 78  ? -8.020  13.142  -8.704  1.00 6.90  ? 78  LEU   A HG   1 
ATOM   1487 H HD11 . LEU   A 1 78  ? -9.911  12.914  -10.030 1.00 10.27 ? 78  LEU   A HD11 1 
ATOM   1488 H HD12 . LEU   A 1 78  ? -9.465  14.428  -9.853  1.00 10.27 ? 78  LEU   A HD12 1 
ATOM   1489 H HD13 . LEU   A 1 78  ? -9.140  13.657  -11.203 1.00 10.27 ? 78  LEU   A HD13 1 
ATOM   1490 H HD21 . LEU   A 1 78  ? -8.245  11.098  -9.650  1.00 9.32  ? 78  LEU   A HD21 1 
ATOM   1491 H HD22 . LEU   A 1 78  ? -7.675  11.618  -11.038 1.00 9.32  ? 78  LEU   A HD22 1 
ATOM   1492 H HD23 . LEU   A 1 78  ? -6.708  11.476  -9.785  1.00 9.32  ? 78  LEU   A HD23 1 
ATOM   1493 N N    . THR   A 1 79  ? -7.909  15.838  -7.353  1.00 5.15  ? 79  THR   A N    1 
ATOM   1494 C CA   . THR   A 1 79  ? -8.054  15.805  -5.906  1.00 5.20  ? 79  THR   A CA   1 
ATOM   1495 C C    . THR   A 1 79  ? -9.163  14.832  -5.546  1.00 5.31  ? 79  THR   A C    1 
ATOM   1496 O O    . THR   A 1 79  ? -10.242 14.870  -6.141  1.00 6.81  ? 79  THR   A O    1 
ATOM   1497 C CB   . THR   A 1 79  ? -8.366  17.210  -5.367  1.00 7.03  ? 79  THR   A CB   1 
ATOM   1498 O OG1  . THR   A 1 79  ? -7.338  18.126  -5.802  1.00 8.41  ? 79  THR   A OG1  1 
ATOM   1499 C CG2  . THR   A 1 79  ? -8.421  17.230  -3.846  1.00 8.31  ? 79  THR   A CG2  1 
ATOM   1500 H H    . THR   A 1 79  ? -8.590  16.165  -7.763  1.00 6.18  ? 79  THR   A H    1 
ATOM   1501 H HA   . THR   A 1 79  ? -7.234  15.497  -5.490  1.00 6.24  ? 79  THR   A HA   1 
ATOM   1502 H HB   . THR   A 1 79  ? -9.233  17.486  -5.702  1.00 8.44  ? 79  THR   A HB   1 
ATOM   1503 H HG1  . THR   A 1 79  ? -6.627  17.983  -5.377  1.00 10.09 ? 79  THR   A HG1  1 
ATOM   1504 H HG21 . THR   A 1 79  ? -8.755  18.087  -3.538  1.00 9.97  ? 79  THR   A HG21 1 
ATOM   1505 H HG22 . THR   A 1 79  ? -9.011  16.529  -3.527  1.00 9.97  ? 79  THR   A HG22 1 
ATOM   1506 H HG23 . THR   A 1 79  ? -7.534  17.087  -3.480  1.00 9.97  ? 79  THR   A HG23 1 
ATOM   1507 N N    . ILE   A 1 80  ? -8.907  13.983  -4.558  1.00 4.89  ? 80  ILE   A N    1 
ATOM   1508 C CA   . ILE   A 1 80  ? -9.902  13.102  -3.982  1.00 5.57  ? 80  ILE   A CA   1 
ATOM   1509 C C    . ILE   A 1 80  ? -10.130 13.627  -2.573  1.00 5.28  ? 80  ILE   A C    1 
ATOM   1510 O O    . ILE   A 1 80  ? -9.255  13.507  -1.710  1.00 5.65  ? 80  ILE   A O    1 
ATOM   1511 C CB   . ILE   A 1 80  ? -9.472  11.635  -3.955  1.00 5.98  ? 80  ILE   A CB   1 
ATOM   1512 C CG1  . ILE   A 1 80  ? -8.939  11.172  -5.316  1.00 6.62  ? 80  ILE   A CG1  1 
ATOM   1513 C CG2  . ILE   A 1 80  ? -10.679 10.786  -3.519  1.00 7.66  ? 80  ILE   A CG2  1 
ATOM   1514 C CD1  . ILE   A 1 80  ? -8.396  9.751   -5.300  1.00 8.40  ? 80  ILE   A CD1  1 
ATOM   1515 H H    . ILE   A 1 80  ? -8.132  13.899  -4.193  1.00 5.86  ? 80  ILE   A H    1 
ATOM   1516 H HA   . ILE   A 1 80  ? -10.719 13.145  -4.503  1.00 6.68  ? 80  ILE   A HA   1 
ATOM   1517 H HB   . ILE   A 1 80  ? -8.743  11.531  -3.324  1.00 7.17  ? 80  ILE   A HB   1 
ATOM   1518 H HG12 . ILE   A 1 80  ? -9.661  11.208  -5.963  1.00 7.94  ? 80  ILE   A HG12 1 
ATOM   1519 H HG13 . ILE   A 1 80  ? -8.220  11.763  -5.588  1.00 7.94  ? 80  ILE   A HG13 1 
ATOM   1520 H HG21 . ILE   A 1 80  ? -10.396 9.864   -3.416  1.00 9.19  ? 80  ILE   A HG21 1 
ATOM   1521 H HG22 . ILE   A 1 80  ? -11.015 11.125  -2.674  1.00 9.19  ? 80  ILE   A HG22 1 
ATOM   1522 H HG23 . ILE   A 1 80  ? -11.370 10.847  -4.197  1.00 9.19  ? 80  ILE   A HG23 1 
ATOM   1523 H HD11 . ILE   A 1 80  ? -7.976  9.564   -6.154  1.00 10.07 ? 80  ILE   A HD11 1 
ATOM   1524 H HD12 . ILE   A 1 80  ? -7.743  9.670   -4.587  1.00 10.07 ? 80  ILE   A HD12 1 
ATOM   1525 H HD13 . ILE   A 1 80  ? -9.129  9.134   -5.150  1.00 10.07 ? 80  ILE   A HD13 1 
ATOM   1526 N N    . THR   A 1 81  ? -11.276 14.247  -2.343  1.00 5.03  ? 81  THR   A N    1 
ATOM   1527 C CA   A THR   A 1 81  ? -11.529 14.892  -1.050  0.96 5.47  ? 81  THR   A CA   1 
ATOM   1528 C CA   B THR   A 1 81  ? -11.555 14.895  -1.061  0.04 5.76  ? 81  THR   A CA   1 
ATOM   1529 C C    . THR   A 1 81  ? -12.382 13.936  -0.222  1.00 5.25  ? 81  THR   A C    1 
ATOM   1530 O O    . THR   A 1 81  ? -13.611 13.947  -0.284  1.00 6.79  ? 81  THR   A O    1 
ATOM   1531 C CB   A THR   A 1 81  ? -12.171 16.254  -1.230  0.96 7.01  ? 81  THR   A CB   1 
ATOM   1532 C CB   B THR   A 1 81  ? -12.303 16.198  -1.292  0.04 6.92  ? 81  THR   A CB   1 
ATOM   1533 O OG1  A THR   A 1 81  ? -11.329 17.071  -2.043  0.96 7.48  ? 81  THR   A OG1  1 
ATOM   1534 O OG1  B THR   A 1 81  ? -13.386 15.982  -2.207  0.04 7.67  ? 81  THR   A OG1  1 
ATOM   1535 C CG2  A THR   A 1 81  ? -12.355 16.937  0.121   0.96 7.58  ? 81  THR   A CG2  1 
ATOM   1536 C CG2  B THR   A 1 81  ? -11.370 17.205  -1.860  0.04 6.77  ? 81  THR   A CG2  1 
ATOM   1537 H H    A THR   A 1 81  ? -11.920 14.312  -2.910  0.96 6.04  ? 81  THR   A H    1 
ATOM   1538 H H    B THR   A 1 81  ? -11.915 14.310  -2.915  0.04 6.04  ? 81  THR   A H    1 
ATOM   1539 H HA   A THR   A 1 81  ? -10.690 15.029  -0.583  0.96 6.57  ? 81  THR   A HA   1 
ATOM   1540 H HA   B THR   A 1 81  ? -10.721 15.074  -0.599  0.04 6.91  ? 81  THR   A HA   1 
ATOM   1541 H HB   A THR   A 1 81  ? -13.039 16.149  -1.651  0.96 8.41  ? 81  THR   A HB   1 
ATOM   1542 H HB   B THR   A 1 81  ? -12.663 16.531  -0.455  0.04 8.31  ? 81  THR   A HB   1 
ATOM   1543 H HG1  A THR   A 1 81  ? -11.515 16.958  -2.854  0.96 8.98  ? 81  THR   A HG1  1 
ATOM   1544 H HG1  B THR   A 1 81  ? -13.937 15.440  -1.877  0.04 9.20  ? 81  THR   A HG1  1 
ATOM   1545 H HG21 A THR   A 1 81  ? -12.821 17.780  0.005   0.96 9.09  ? 81  THR   A HG21 1 
ATOM   1546 H HG21 B THR   A 1 81  ? -11.833 18.047  -1.994  0.04 8.13  ? 81  THR   A HG21 1 
ATOM   1547 H HG22 A THR   A 1 81  ? -12.873 16.369  0.712   0.96 9.09  ? 81  THR   A HG22 1 
ATOM   1548 H HG22 B THR   A 1 81  ? -10.627 17.348  -1.254  0.04 8.13  ? 81  THR   A HG22 1 
ATOM   1549 H HG23 A THR   A 1 81  ? -11.490 17.108  0.526   0.96 9.09  ? 81  THR   A HG23 1 
ATOM   1550 H HG23 B THR   A 1 81  ? -11.026 16.896  -2.712  0.04 8.13  ? 81  THR   A HG23 1 
ATOM   1551 N N    . GLY   A 1 82  ? -11.722 13.089  0.546   1.00 5.51  ? 82  GLY   A N    1 
ATOM   1552 C CA   . GLY   A 1 82  ? -12.376 12.060  1.328   1.00 5.48  ? 82  GLY   A CA   1 
ATOM   1553 C C    . GLY   A 1 82  ? -12.276 10.703  0.657   1.00 5.10  ? 82  GLY   A C    1 
ATOM   1554 O O    . GLY   A 1 82  ? -13.252 10.160  0.150   1.00 6.18  ? 82  GLY   A O    1 
ATOM   1555 H H    . GLY   A 1 82  ? -10.866 13.089  0.634   1.00 6.61  ? 82  GLY   A H    1 
ATOM   1556 H HA2  . GLY   A 1 82  ? -11.960 12.004  2.203   1.00 6.58  ? 82  GLY   A HA2  1 
ATOM   1557 H HA3  . GLY   A 1 82  ? -13.313 12.283  1.438   1.00 6.58  ? 82  GLY   A HA3  1 
ATOM   1558 N N    . ALA   A 1 83  ? -11.075 10.148  0.639   1.00 5.28  ? 83  ALA   A N    1 
ATOM   1559 C CA   . ALA   A 1 83  ? -10.818 8.901   -0.063  1.00 4.99  ? 83  ALA   A CA   1 
ATOM   1560 C C    . ALA   A 1 83  ? -11.657 7.781   0.519   1.00 5.28  ? 83  ALA   A C    1 
ATOM   1561 O O    . ALA   A 1 83  ? -12.046 7.796   1.688   1.00 5.54  ? 83  ALA   A O    1 
ATOM   1562 C CB   . ALA   A 1 83  ? -9.340  8.539   0.034   1.00 6.80  ? 83  ALA   A CB   1 
ATOM   1563 H H    . ALA   A 1 83  ? -10.383 10.476  1.030   1.00 6.34  ? 83  ALA   A H    1 
ATOM   1564 H HA   . ALA   A 1 83  ? -11.051 9.003   -0.999  1.00 5.98  ? 83  ALA   A HA   1 
ATOM   1565 H HB1  . ALA   A 1 83  ? -9.183  7.717   -0.458  1.00 8.15  ? 83  ALA   A HB1  1 
ATOM   1566 H HB2  . ALA   A 1 83  ? -8.813  9.258   -0.347  1.00 8.15  ? 83  ALA   A HB2  1 
ATOM   1567 H HB3  . ALA   A 1 83  ? -9.106  8.415   0.967   1.00 8.15  ? 83  ALA   A HB3  1 
ATOM   1568 N N    . GLN   A 1 84  ? -11.888 6.787   -0.322  1.00 5.07  ? 84  GLN   A N    1 
ATOM   1569 C CA   . GLN   A 1 84  ? -12.588 5.568   0.036   1.00 5.48  ? 84  GLN   A CA   1 
ATOM   1570 C C    . GLN   A 1 84  ? -11.751 4.371   -0.397  1.00 5.69  ? 84  GLN   A C    1 
ATOM   1571 O O    . GLN   A 1 84  ? -10.920 4.461   -1.305  1.00 5.54  ? 84  GLN   A O    1 
ATOM   1572 C CB   . GLN   A 1 84  ? -13.966 5.547   -0.657  1.00 6.47  ? 84  GLN   A CB   1 
ATOM   1573 C CG   . GLN   A 1 84  ? -14.870 6.672   -0.215  1.00 7.50  ? 84  GLN   A CG   1 
ATOM   1574 C CD   . GLN   A 1 84  ? -15.444 6.403   1.154   1.00 7.38  ? 84  GLN   A CD   1 
ATOM   1575 O OE1  . GLN   A 1 84  ? -16.498 5.761   1.271   1.00 9.40  ? 84  GLN   A OE1  1 
ATOM   1576 N NE2  . GLN   A 1 84  ? -14.791 6.869   2.199   1.00 8.38  ? 84  GLN   A NE2  1 
ATOM   1577 H H    . GLN   A 1 84  ? -11.638 6.796   -1.144  1.00 6.09  ? 84  GLN   A H    1 
ATOM   1578 H HA   . GLN   A 1 84  ? -12.713 5.502   0.995   1.00 6.58  ? 84  GLN   A HA   1 
ATOM   1579 H HB2  . GLN   A 1 84  ? -13.838 5.626   -1.615  1.00 7.76  ? 84  GLN   A HB2  1 
ATOM   1580 H HB3  . GLN   A 1 84  ? -14.409 4.709   -0.450  1.00 7.76  ? 84  GLN   A HB3  1 
ATOM   1581 H HG2  . GLN   A 1 84  ? -14.362 7.497   -0.179  1.00 8.99  ? 84  GLN   A HG2  1 
ATOM   1582 H HG3  . GLN   A 1 84  ? -15.604 6.761   -0.843  1.00 8.99  ? 84  GLN   A HG3  1 
ATOM   1583 H HE21 . GLN   A 1 84  ? -14.062 7.311   2.088   1.00 10.06 ? 84  GLN   A HE21 1 
ATOM   1584 H HE22 . GLN   A 1 84  ? -15.094 6.731   2.992   1.00 10.06 ? 84  GLN   A HE22 1 
ATOM   1585 N N    . THR   A 1 85  ? -11.989 3.224   0.244   1.00 6.08  ? 85  THR   A N    1 
ATOM   1586 C CA   . THR   A 1 85  ? -11.186 2.046   -0.092  1.00 6.70  ? 85  THR   A CA   1 
ATOM   1587 C C    . THR   A 1 85  ? -11.298 1.665   -1.562  1.00 6.63  ? 85  THR   A C    1 
ATOM   1588 O O    . THR   A 1 85  ? -10.313 1.197   -2.150  1.00 7.36  ? 85  THR   A O    1 
ATOM   1589 C CB   . THR   A 1 85  ? -11.540 0.859   0.808   1.00 8.29  ? 85  THR   A CB   1 
ATOM   1590 O OG1  . THR   A 1 85  ? -12.932 0.587   0.726   1.00 11.19 ? 85  THR   A OG1  1 
ATOM   1591 C CG2  . THR   A 1 85  ? -11.175 1.128   2.249   1.00 11.92 ? 85  THR   A CG2  1 
ATOM   1592 H H    . THR   A 1 85  ? -12.584 3.106   0.853   1.00 7.30  ? 85  THR   A H    1 
ATOM   1593 H HA   . THR   A 1 85  ? -10.257 2.268   0.080   1.00 8.03  ? 85  THR   A HA   1 
ATOM   1594 H HB   . THR   A 1 85  ? -11.036 0.085   0.511   1.00 9.95  ? 85  THR   A HB   1 
ATOM   1595 H HG1  . THR   A 1 85  ? -13.162 0.509   -0.079  1.00 13.43 ? 85  THR   A HG1  1 
ATOM   1596 H HG21 . THR   A 1 85  ? -11.352 0.342   2.789   1.00 14.31 ? 85  THR   A HG21 1 
ATOM   1597 H HG22 . THR   A 1 85  ? -10.234 1.351   2.317   1.00 14.31 ? 85  THR   A HG22 1 
ATOM   1598 H HG23 . THR   A 1 85  ? -11.700 1.869   2.591   1.00 14.31 ? 85  THR   A HG23 1 
ATOM   1599 N N    . GLU   A 1 86  ? -12.466 1.867   -2.175  1.00 6.99  ? 86  GLU   A N    1 
ATOM   1600 C CA   A GLU   A 1 86  ? -12.622 1.512   -3.579  0.55 6.89  ? 86  GLU   A CA   1 
ATOM   1601 C CA   B GLU   A 1 86  ? -12.671 1.552   -3.580  0.45 8.23  ? 86  GLU   A CA   1 
ATOM   1602 C C    . GLU   A 1 86  ? -11.835 2.423   -4.508  1.00 6.76  ? 86  GLU   A C    1 
ATOM   1603 O O    . GLU   A 1 86  ? -11.798 2.146   -5.712  1.00 8.09  ? 86  GLU   A O    1 
ATOM   1604 C CB   A GLU   A 1 86  ? -14.100 1.493   -3.991  0.55 8.37  ? 86  GLU   A CB   1 
ATOM   1605 C CB   B GLU   A 1 86  ? -14.168 1.650   -3.926  0.45 11.32 ? 86  GLU   A CB   1 
ATOM   1606 C CG   A GLU   A 1 86  ? -14.797 2.848   -3.978  0.55 8.06  ? 86  GLU   A CG   1 
ATOM   1607 C CG   B GLU   A 1 86  ? -14.746 3.073   -4.024  0.45 15.04 ? 86  GLU   A CG   1 
ATOM   1608 C CD   A GLU   A 1 86  ? -15.642 3.038   -2.776  0.55 12.36 ? 86  GLU   A CD   1 
ATOM   1609 C CD   B GLU   A 1 86  ? -16.246 3.084   -4.352  0.45 16.44 ? 86  GLU   A CD   1 
ATOM   1610 O OE1  A GLU   A 1 86  ? -15.201 2.558   -1.756  0.55 11.92 ? 86  GLU   A OE1  1 
ATOM   1611 O OE1  B GLU   A 1 86  ? -16.821 1.989   -4.502  0.45 18.39 ? 86  GLU   A OE1  1 
ATOM   1612 O OE2  A GLU   A 1 86  ? -16.724 3.637   -2.799  0.55 13.40 ? 86  GLU   A OE2  1 
ATOM   1613 O OE2  B GLU   A 1 86  ? -16.854 4.174   -4.501  0.45 15.47 ? 86  GLU   A OE2  1 
ATOM   1614 H H    A GLU   A 1 86  ? -13.166 2.202   -1.804  0.55 8.38  ? 86  GLU   A H    1 
ATOM   1615 H H    B GLU   A 1 86  ? -13.164 2.191   -1.789  0.45 8.38  ? 86  GLU   A H    1 
ATOM   1616 H HA   A GLU   A 1 86  ? -12.291 0.608   -3.693  0.55 8.27  ? 86  GLU   A HA   1 
ATOM   1617 H HA   B GLU   A 1 86  ? -12.402 0.635   -3.742  0.45 9.87  ? 86  GLU   A HA   1 
ATOM   1618 H HB2  A GLU   A 1 86  ? -14.162 1.144   -4.894  0.55 10.05 ? 86  GLU   A HB2  1 
ATOM   1619 H HB2  B GLU   A 1 86  ? -14.309 1.224   -4.786  0.45 13.59 ? 86  GLU   A HB2  1 
ATOM   1620 H HB3  A GLU   A 1 86  ? -14.581 0.915   -3.378  0.55 10.05 ? 86  GLU   A HB3  1 
ATOM   1621 H HB3  B GLU   A 1 86  ? -14.670 1.184   -3.239  0.45 13.59 ? 86  GLU   A HB3  1 
ATOM   1622 H HG2  A GLU   A 1 86  ? -14.127 3.550   -3.990  0.55 9.67  ? 86  GLU   A HG2  1 
ATOM   1623 H HG2  B GLU   A 1 86  ? -14.621 3.524   -3.174  0.45 18.05 ? 86  GLU   A HG2  1 
ATOM   1624 H HG3  A GLU   A 1 86  ? -15.366 2.920   -4.761  0.55 9.67  ? 86  GLU   A HG3  1 
ATOM   1625 H HG3  B GLU   A 1 86  ? -14.282 3.555   -4.726  0.45 18.05 ? 86  GLU   A HG3  1 
ATOM   1626 N N    . ASP   A 1 87  ? -11.185 3.462   -3.991  1.00 5.92  ? 87  ASP   A N    1 
ATOM   1627 C CA   . ASP   A 1 87  ? -10.372 4.338   -4.812  1.00 5.41  ? 87  ASP   A CA   1 
ATOM   1628 C C    . ASP   A 1 87  ? -8.959  3.800   -5.026  1.00 5.27  ? 87  ASP   A C    1 
ATOM   1629 O O    . ASP   A 1 87  ? -8.190  4.406   -5.773  1.00 5.85  ? 87  ASP   A O    1 
ATOM   1630 C CB   . ASP   A 1 87  ? -10.341 5.728   -4.191  1.00 5.33  ? 87  ASP   A CB   1 
ATOM   1631 C CG   . ASP   A 1 87  ? -11.720 6.358   -4.073  1.00 5.71  ? 87  ASP   A CG   1 
ATOM   1632 O OD1  . ASP   A 1 87  ? -12.623 5.970   -4.846  1.00 6.82  ? 87  ASP   A OD1  1 
ATOM   1633 O OD2  . ASP   A 1 87  ? -11.859 7.238   -3.191  1.00 5.91  ? 87  ASP   A OD2  1 
ATOM   1634 H H    . ASP   A 1 87  ? -11.201 3.678   -3.159  1.00 7.11  ? 87  ASP   A H    1 
ATOM   1635 H HA   . ASP   A 1 87  ? -10.773 4.427   -5.691  1.00 6.49  ? 87  ASP   A HA   1 
ATOM   1636 H HB2  . ASP   A 1 87  ? -9.964  5.667   -3.299  1.00 6.39  ? 87  ASP   A HB2  1 
ATOM   1637 H HB3  . ASP   A 1 87  ? -9.794  6.308   -4.743  1.00 6.39  ? 87  ASP   A HB3  1 
ATOM   1638 N N    . GLU   A 1 88  ? -8.611  2.680   -4.404  1.00 5.44  ? 88  GLU   A N    1 
ATOM   1639 C CA   . GLU   A 1 88  ? -7.317  2.076   -4.647  1.00 5.43  ? 88  GLU   A CA   1 
ATOM   1640 C C    . GLU   A 1 88  ? -7.244  1.645   -6.108  1.00 6.06  ? 88  GLU   A C    1 
ATOM   1641 O O    . GLU   A 1 88  ? -8.063  0.857   -6.560  1.00 7.21  ? 88  GLU   A O    1 
ATOM   1642 C CB   . GLU   A 1 88  ? -7.133  0.882   -3.711  1.00 6.93  ? 88  GLU   A CB   1 
ATOM   1643 C CG   . GLU   A 1 88  ? -5.847  0.146   -3.945  1.00 7.07  ? 88  GLU   A CG   1 
ATOM   1644 C CD   . GLU   A 1 88  ? -5.455  -0.712  -2.768  1.00 9.51  ? 88  GLU   A CD   1 
ATOM   1645 O OE1  . GLU   A 1 88  ? -5.225  -0.188  -1.669  1.00 9.25  ? 88  GLU   A OE1  1 
ATOM   1646 O OE2  . GLU   A 1 88  ? -5.359  -1.943  -2.965  1.00 15.40 ? 88  GLU   A OE2  1 
ATOM   1647 H H    . GLU   A 1 88  ? -9.104  2.257   -3.842  1.00 6.53  ? 88  GLU   A H    1 
ATOM   1648 H HA   . GLU   A 1 88  ? -6.600  2.705   -4.471  1.00 6.51  ? 88  GLU   A HA   1 
ATOM   1649 H HB2  . GLU   A 1 88  ? -7.135  1.199   -2.794  1.00 8.31  ? 88  GLU   A HB2  1 
ATOM   1650 H HB3  . GLU   A 1 88  ? -7.864  0.259   -3.848  1.00 8.31  ? 88  GLU   A HB3  1 
ATOM   1651 H HG2  . GLU   A 1 88  ? -5.947  -0.430  -4.719  1.00 8.49  ? 88  GLU   A HG2  1 
ATOM   1652 H HG3  . GLU   A 1 88  ? -5.137  0.789   -4.100  1.00 8.49  ? 88  GLU   A HG3  1 
ATOM   1653 N N    . ALA   A 1 89  ? -6.275  2.175   -6.854  1.00 5.27  ? 89  ALA   A N    1 
ATOM   1654 C CA   . ALA   A 1 89  ? -6.255  2.069   -8.308  1.00 5.16  ? 89  ALA   A CA   1 
ATOM   1655 C C    . ALA   A 1 89  ? -4.981  2.744   -8.805  1.00 4.66  ? 89  ALA   A C    1 
ATOM   1656 O O    . ALA   A 1 89  ? -4.272  3.394   -8.039  1.00 5.81  ? 89  ALA   A O    1 
ATOM   1657 C CB   . ALA   A 1 89  ? -7.467  2.766   -8.904  1.00 5.67  ? 89  ALA   A CB   1 
ATOM   1658 H H    . ALA   A 1 89  ? -5.606  2.610   -6.532  1.00 6.33  ? 89  ALA   A H    1 
ATOM   1659 H HA   . ALA   A 1 89  ? -6.238  1.137   -8.576  1.00 6.19  ? 89  ALA   A HA   1 
ATOM   1660 H HB1  . ALA   A 1 89  ? -7.436  2.683   -9.870  1.00 6.81  ? 89  ALA   A HB1  1 
ATOM   1661 H HB2  . ALA   A 1 89  ? -8.272  2.348   -8.562  1.00 6.81  ? 89  ALA   A HB2  1 
ATOM   1662 H HB3  . ALA   A 1 89  ? -7.448  3.703   -8.653  1.00 6.81  ? 89  ALA   A HB3  1 
ATOM   1663 N N    . ILE   A 1 90  ? -4.731  2.628   -10.109 1.00 4.59  ? 90  ILE   A N    1 
ATOM   1664 C CA   . ILE   A 1 90  ? -3.703  3.416   -10.783 1.00 4.12  ? 90  ILE   A CA   1 
ATOM   1665 C C    . ILE   A 1 90  ? -4.409  4.536   -11.529 1.00 4.37  ? 90  ILE   A C    1 
ATOM   1666 O O    . ILE   A 1 90  ? -5.357  4.283   -12.271 1.00 6.07  ? 90  ILE   A O    1 
ATOM   1667 C CB   . ILE   A 1 90  ? -2.857  2.571   -11.749 1.00 5.59  ? 90  ILE   A CB   1 
ATOM   1668 C CG1  . ILE   A 1 90  ? -2.334  1.316   -11.077 1.00 8.94  ? 90  ILE   A CG1  1 
ATOM   1669 C CG2  . ILE   A 1 90  ? -1.737  3.417   -12.315 1.00 7.14  ? 90  ILE   A CG2  1 
ATOM   1670 C CD1  . ILE   A 1 90  ? -1.507  0.420   -11.966 1.00 12.92 ? 90  ILE   A CD1  1 
ATOM   1671 H H    . ILE   A 1 90  ? -5.152  2.091   -10.632 1.00 5.51  ? 90  ILE   A H    1 
ATOM   1672 H HA   . ILE   A 1 90  ? -3.100  3.788   -10.120 1.00 4.94  ? 90  ILE   A HA   1 
ATOM   1673 H HB   . ILE   A 1 90  ? -3.421  2.276   -12.481 1.00 6.71  ? 90  ILE   A HB   1 
ATOM   1674 H HG12 . ILE   A 1 90  ? -1.778  1.577   -10.327 1.00 10.73 ? 90  ILE   A HG12 1 
ATOM   1675 H HG13 . ILE   A 1 90  ? -3.091  0.796   -10.764 1.00 10.73 ? 90  ILE   A HG13 1 
ATOM   1676 H HG21 . ILE   A 1 90  ? -1.218  2.881   -12.935 1.00 8.56  ? 90  ILE   A HG21 1 
ATOM   1677 H HG22 . ILE   A 1 90  ? -2.120  4.179   -12.778 1.00 8.56  ? 90  ILE   A HG22 1 
ATOM   1678 H HG23 . ILE   A 1 90  ? -1.172  3.721   -11.588 1.00 8.56  ? 90  ILE   A HG23 1 
ATOM   1679 H HD11 . ILE   A 1 90  ? -1.242  -0.366  -11.464 1.00 15.50 ? 90  ILE   A HD11 1 
ATOM   1680 H HD12 . ILE   A 1 90  ? -2.039  0.158   -12.734 1.00 15.50 ? 90  ILE   A HD12 1 
ATOM   1681 H HD13 . ILE   A 1 90  ? -0.720  0.906   -12.260 1.00 15.50 ? 90  ILE   A HD13 1 
ATOM   1682 N N    . TYR   A 1 91  ? -3.947  5.767   -11.344 1.00 3.77  ? 91  TYR   A N    1 
ATOM   1683 C CA   . TYR   A 1 91  ? -4.562  6.933   -11.961 1.00 4.16  ? 91  TYR   A CA   1 
ATOM   1684 C C    . TYR   A 1 91  ? -3.645  7.461   -13.043 1.00 3.68  ? 91  TYR   A C    1 
ATOM   1685 O O    . TYR   A 1 91  ? -2.476  7.731   -12.777 1.00 4.64  ? 91  TYR   A O    1 
ATOM   1686 C CB   . TYR   A 1 91  ? -4.799  8.017   -10.904 1.00 4.27  ? 91  TYR   A CB   1 
ATOM   1687 C CG   . TYR   A 1 91  ? -5.870  7.608   -9.926  1.00 4.16  ? 91  TYR   A CG   1 
ATOM   1688 C CD1  . TYR   A 1 91  ? -5.608  6.767   -8.853  1.00 4.23  ? 91  TYR   A CD1  1 
ATOM   1689 C CD2  . TYR   A 1 91  ? -7.179  7.994   -10.125 1.00 5.10  ? 91  TYR   A CD2  1 
ATOM   1690 C CE1  . TYR   A 1 91  ? -6.615  6.335   -8.009  1.00 4.85  ? 91  TYR   A CE1  1 
ATOM   1691 C CE2  . TYR   A 1 91  ? -8.198  7.569   -9.283  1.00 5.65  ? 91  TYR   A CE2  1 
ATOM   1692 C CZ   . TYR   A 1 91  ? -7.908  6.743   -8.233  1.00 4.52  ? 91  TYR   A CZ   1 
ATOM   1693 O OH   . TYR   A 1 91  ? -8.945  6.322   -7.443  1.00 6.18  ? 91  TYR   A OH   1 
ATOM   1694 H H    . TYR   A 1 91  ? -3.265  5.954   -10.855 1.00 4.53  ? 91  TYR   A H    1 
ATOM   1695 H HA   . TYR   A 1 91  ? -5.408  6.686   -12.367 1.00 4.99  ? 91  TYR   A HA   1 
ATOM   1696 H HB2  . TYR   A 1 91  ? -3.977  8.170   -10.412 1.00 5.13  ? 91  TYR   A HB2  1 
ATOM   1697 H HB3  . TYR   A 1 91  ? -5.081  8.836   -11.342 1.00 5.13  ? 91  TYR   A HB3  1 
ATOM   1698 H HD1  . TYR   A 1 91  ? -4.734  6.488   -8.698  1.00 5.08  ? 91  TYR   A HD1  1 
ATOM   1699 H HD2  . TYR   A 1 91  ? -7.384  8.552   -10.840 1.00 6.12  ? 91  TYR   A HD2  1 
ATOM   1700 H HE1  . TYR   A 1 91  ? -6.419  5.772   -7.296  1.00 5.82  ? 91  TYR   A HE1  1 
ATOM   1701 H HE2  . TYR   A 1 91  ? -9.074  7.844   -9.432  1.00 6.78  ? 91  TYR   A HE2  1 
ATOM   1702 H HH   . TYR   A 1 91  ? -8.692  5.693   -6.947  1.00 7.42  ? 91  TYR   A HH   1 
ATOM   1703 N N    A PHE   A 1 92  ? -4.173  7.680   -14.239 0.97 3.49  ? 92  PHE   A N    1 
ATOM   1704 N N    B PHE   A 1 92  ? -4.132  7.504   -14.276 0.03 3.76  ? 92  PHE   A N    1 
ATOM   1705 C CA   A PHE   A 1 92  ? -3.412  8.230   -15.353 0.97 3.73  ? 92  PHE   A CA   1 
ATOM   1706 C CA   B PHE   A 1 92  ? -3.401  8.119   -15.370 0.03 4.03  ? 92  PHE   A CA   1 
ATOM   1707 C C    A PHE   A 1 92  ? -4.029  9.550   -15.788 0.97 3.45  ? 92  PHE   A C    1 
ATOM   1708 C C    B PHE   A 1 92  ? -4.069  9.440   -15.721 0.03 4.28  ? 92  PHE   A C    1 
ATOM   1709 O O    A PHE   A 1 92  ? -5.248  9.667   -15.874 0.97 4.64  ? 92  PHE   A O    1 
ATOM   1710 O O    B PHE   A 1 92  ? -5.257  9.645   -15.458 0.03 4.47  ? 92  PHE   A O    1 
ATOM   1711 C CB   A PHE   A 1 92  ? -3.433  7.297   -16.568 0.97 4.25  ? 92  PHE   A CB   1 
ATOM   1712 C CB   B PHE   A 1 92  ? -3.391  7.222   -16.615 0.03 4.33  ? 92  PHE   A CB   1 
ATOM   1713 C CG   A PHE   A 1 92  ? -2.719  5.996   -16.375 0.97 4.06  ? 92  PHE   A CG   1 
ATOM   1714 C CG   B PHE   A 1 92  ? -2.760  5.872   -16.401 0.03 4.71  ? 92  PHE   A CG   1 
ATOM   1715 C CD1  A PHE   A 1 92  ? -3.365  4.887   -15.866 0.97 4.98  ? 92  PHE   A CD1  1 
ATOM   1716 C CD1  B PHE   A 1 92  ? -3.469  4.848   -15.797 0.03 5.28  ? 92  PHE   A CD1  1 
ATOM   1717 C CD2  A PHE   A 1 92  ? -1.400  5.870   -16.752 0.97 4.71  ? 92  PHE   A CD2  1 
ATOM   1718 C CD2  B PHE   A 1 92  ? -1.464  5.622   -16.825 0.03 4.99  ? 92  PHE   A CD2  1 
ATOM   1719 C CE1  A PHE   A 1 92  ? -2.724  3.690   -15.730 0.97 6.26  ? 92  PHE   A CE1  1 
ATOM   1720 C CE1  B PHE   A 1 92  ? -2.896  3.604   -15.609 0.03 5.45  ? 92  PHE   A CE1  1 
ATOM   1721 C CE2  A PHE   A 1 92  ? -0.744  4.665   -16.607 0.97 6.12  ? 92  PHE   A CE2  1 
ATOM   1722 C CE2  B PHE   A 1 92  ? -0.886  4.379   -16.639 0.03 5.30  ? 92  PHE   A CE2  1 
ATOM   1723 C CZ   A PHE   A 1 92  ? -1.403  3.577   -16.106 0.97 6.54  ? 92  PHE   A CZ   1 
ATOM   1724 C CZ   B PHE   A 1 92  ? -1.604  3.370   -16.031 0.03 5.67  ? 92  PHE   A CZ   1 
ATOM   1725 H H    A PHE   A 1 92  ? -4.993  7.513   -14.436 0.97 4.18  ? 92  PHE   A H    1 
ATOM   1726 H H    B PHE   A 1 92  ? -4.895  7.180   -14.504 0.03 4.51  ? 92  PHE   A H    1 
ATOM   1727 H HA   A PHE   A 1 92  ? -2.497  8.364   -15.062 0.97 4.47  ? 92  PHE   A HA   1 
ATOM   1728 H HA   B PHE   A 1 92  ? -2.481  8.270   -15.103 0.03 4.84  ? 92  PHE   A HA   1 
ATOM   1729 H HB2  A PHE   A 1 92  ? -4.357  7.093   -16.783 0.97 5.10  ? 92  PHE   A HB2  1 
ATOM   1730 H HB2  B PHE   A 1 92  ? -4.307  7.075   -16.899 0.03 5.20  ? 92  PHE   A HB2  1 
ATOM   1731 H HB3  A PHE   A 1 92  ? -3.011  7.753   -17.313 0.97 5.10  ? 92  PHE   A HB3  1 
ATOM   1732 H HB3  B PHE   A 1 92  ? -2.895  7.671   -17.317 0.03 5.20  ? 92  PHE   A HB3  1 
ATOM   1733 H HD1  A PHE   A 1 92  ? -4.256  4.958   -15.609 0.97 5.98  ? 92  PHE   A HD1  1 
ATOM   1734 H HD1  B PHE   A 1 92  ? -4.342  4.999   -15.514 0.03 6.34  ? 92  PHE   A HD1  1 
ATOM   1735 H HD2  A PHE   A 1 92  ? -0.949  6.602   -17.106 0.97 5.65  ? 92  PHE   A HD2  1 
ATOM   1736 H HD2  B PHE   A 1 92  ? -0.977  6.298   -17.239 0.03 5.99  ? 92  PHE   A HD2  1 
ATOM   1737 H HE1  A PHE   A 1 92  ? -3.177  2.954   -15.385 0.97 7.52  ? 92  PHE   A HE1  1 
ATOM   1738 H HE1  B PHE   A 1 92  ? -3.382  2.926   -15.199 0.03 6.54  ? 92  PHE   A HE1  1 
ATOM   1739 H HE2  A PHE   A 1 92  ? 0.151   4.592   -16.851 0.97 7.35  ? 92  PHE   A HE2  1 
ATOM   1740 H HE2  B PHE   A 1 92  ? -0.014  4.224   -16.923 0.03 6.36  ? 92  PHE   A HE2  1 
ATOM   1741 H HZ   A PHE   A 1 92  ? -0.962  2.763   -16.020 0.97 7.85  ? 92  PHE   A HZ   1 
ATOM   1742 H HZ   B PHE   A 1 92  ? -1.217  2.534   -15.905 0.03 6.81  ? 92  PHE   A HZ   1 
ATOM   1743 N N    A CYS   A 1 93  ? -3.177  10.518  -16.105 0.97 3.69  ? 93  CYS   A N    1 
ATOM   1744 N N    B CYS   A 1 93  ? -3.296  10.345  -16.312 0.03 4.47  ? 93  CYS   A N    1 
ATOM   1745 C CA   A CYS   A 1 93  ? -3.631  11.699  -16.815 0.97 4.08  ? 93  CYS   A CA   1 
ATOM   1746 C CA   B CYS   A 1 93  ? -3.861  11.554  -16.889 0.03 5.08  ? 93  CYS   A CA   1 
ATOM   1747 C C    A CYS   A 1 93  ? -3.272  11.570  -18.287 0.97 3.46  ? 93  CYS   A C    1 
ATOM   1748 C C    B CYS   A 1 93  ? -3.333  11.699  -18.307 0.03 4.60  ? 93  CYS   A C    1 
ATOM   1749 O O    A CYS   A 1 93  ? -2.365  10.822  -18.663 0.97 5.04  ? 93  CYS   A O    1 
ATOM   1750 O O    B CYS   A 1 93  ? -2.242  11.223  -18.635 0.03 4.18  ? 93  CYS   A O    1 
ATOM   1751 C CB   A CYS   A 1 93  ? -3.075  12.988  -16.215 0.97 4.66  ? 93  CYS   A CB   1 
ATOM   1752 C CB   B CYS   A 1 93  ? -3.603  12.824  -16.035 0.03 4.65  ? 93  CYS   A CB   1 
ATOM   1753 S SG   A CYS   A 1 93  ? -1.274  13.076  -16.299 0.97 5.49  ? 93  CYS   A SG   1 
ATOM   1754 S SG   B CYS   A 1 93  ? -2.385  14.034  -16.629 0.03 5.20  ? 93  CYS   A SG   1 
ATOM   1755 H H    A CYS   A 1 93  ? -2.337  10.510  -15.919 0.97 4.43  ? 93  CYS   A H    1 
ATOM   1756 H H    B CYS   A 1 93  ? -2.442  10.279  -16.391 0.03 5.36  ? 93  CYS   A H    1 
ATOM   1757 H HA   A CYS   A 1 93  ? -4.595  11.771  -16.737 0.97 4.90  ? 93  CYS   A HA   1 
ATOM   1758 H HA   B CYS   A 1 93  ? -4.827  11.479  -16.934 0.03 6.10  ? 93  CYS   A HA   1 
ATOM   1759 H HB2  A CYS   A 1 93  ? -3.437  13.744  -16.702 0.97 5.59  ? 93  CYS   A HB2  1 
ATOM   1760 H HB2  B CYS   A 1 93  ? -4.445  13.298  -15.954 0.03 5.58  ? 93  CYS   A HB2  1 
ATOM   1761 H HB3  A CYS   A 1 93  ? -3.336  13.039  -15.282 0.97 5.59  ? 93  CYS   A HB3  1 
ATOM   1762 H HB3  B CYS   A 1 93  ? -3.300  12.533  -15.161 0.03 5.58  ? 93  CYS   A HB3  1 
ATOM   1763 N N    A ALA   A 1 94  ? -3.993  12.327  -19.111 0.97 4.11  ? 94  ALA   A N    1 
ATOM   1764 N N    B ALA   A 1 94  ? -4.130  12.349  -19.148 0.03 4.45  ? 94  ALA   A N    1 
ATOM   1765 C CA   A ALA   A 1 94  ? -3.774  12.352  -20.549 0.97 4.41  ? 94  ALA   A CA   1 
ATOM   1766 C CA   B ALA   A 1 94  ? -3.897  12.383  -20.582 0.03 4.87  ? 94  ALA   A CA   1 
ATOM   1767 C C    A ALA   A 1 94  ? -3.890  13.790  -21.008 0.97 3.91  ? 94  ALA   A C    1 
ATOM   1768 C C    B ALA   A 1 94  ? -3.924  13.828  -21.039 0.03 4.37  ? 94  ALA   A C    1 
ATOM   1769 O O    A ALA   A 1 94  ? -4.851  14.475  -20.659 0.97 4.56  ? 94  ALA   A O    1 
ATOM   1770 O O    B ALA   A 1 94  ? -4.860  14.565  -20.714 0.03 4.53  ? 94  ALA   A O    1 
ATOM   1771 C CB   A ALA   A 1 94  ? -4.833  11.499  -21.255 0.97 6.47  ? 94  ALA   A CB   1 
ATOM   1772 C CB   B ALA   A 1 94  ? -4.984  11.599  -21.320 0.03 5.12  ? 94  ALA   A CB   1 
ATOM   1773 H H    A ALA   A 1 94  ? -4.628  12.846  -18.852 0.97 4.93  ? 94  ALA   A H    1 
ATOM   1774 H H    B ALA   A 1 94  ? -4.828  12.787  -18.903 0.03 5.33  ? 94  ALA   A H    1 
ATOM   1775 H HA   A ALA   A 1 94  ? -2.892  12.015  -20.774 0.97 5.29  ? 94  ALA   A HA   1 
ATOM   1776 H HA   B ALA   A 1 94  ? -3.030  11.999  -20.788 0.03 5.85  ? 94  ALA   A HA   1 
ATOM   1777 H HB1  A ALA   A 1 94  ? -4.634  11.469  -22.204 0.97 7.76  ? 94  ALA   A HB1  1 
ATOM   1778 H HB1  B ALA   A 1 94  ? -4.760  11.559  -22.263 0.03 6.15  ? 94  ALA   A HB1  1 
ATOM   1779 H HB2  A ALA   A 1 94  ? -4.814  10.602  -20.884 0.97 7.76  ? 94  ALA   A HB2  1 
ATOM   1780 H HB2  B ALA   A 1 94  ? -5.031  10.702  -20.953 0.03 6.15  ? 94  ALA   A HB2  1 
ATOM   1781 H HB3  A ALA   A 1 94  ? -5.706  11.897  -21.112 0.97 7.76  ? 94  ALA   A HB3  1 
ATOM   1782 H HB3  B ALA   A 1 94  ? -5.834  12.050  -21.201 0.03 6.15  ? 94  ALA   A HB3  1 
ATOM   1783 N N    . LEU   A 1 95  ? -2.907  14.230  -21.792 1.00 4.03  ? 95  LEU   A N    1 
ATOM   1784 C CA   . LEU   A 1 95  ? -2.818  15.582  -22.316 1.00 4.02  ? 95  LEU   A CA   1 
ATOM   1785 C C    . LEU   A 1 95  ? -2.903  15.558  -23.835 1.00 4.35  ? 95  LEU   A C    1 
ATOM   1786 O O    . LEU   A 1 95  ? -2.270  14.725  -24.486 1.00 4.33  ? 95  LEU   A O    1 
ATOM   1787 C CB   . LEU   A 1 95  ? -1.493  16.247  -21.931 1.00 4.32  ? 95  LEU   A CB   1 
ATOM   1788 C CG   . LEU   A 1 95  ? -1.479  16.934  -20.578 1.00 5.39  ? 95  LEU   A CG   1 
ATOM   1789 C CD1  . LEU   A 1 95  ? -1.682  15.957  -19.434 1.00 6.72  ? 95  LEU   A CD1  1 
ATOM   1790 C CD2  . LEU   A 1 95  ? -0.191  17.698  -20.414 1.00 7.78  ? 95  LEU   A CD2  1 
ATOM   1791 H H    . LEU   A 1 95  ? -2.249  13.738  -22.045 1.00 4.84  ? 95  LEU   A H    1 
ATOM   1792 H HA   . LEU   A 1 95  ? -3.556  16.099  -21.957 1.00 4.83  ? 95  LEU   A HA   1 
ATOM   1793 H HB2  . LEU   A 1 95  ? -0.803  15.565  -21.917 1.00 5.18  ? 95  LEU   A HB2  1 
ATOM   1794 H HB3  . LEU   A 1 95  ? -1.283  16.918  -22.599 1.00 5.18  ? 95  LEU   A HB3  1 
ATOM   1795 H HG   . LEU   A 1 95  ? -2.223  17.555  -20.538 1.00 6.47  ? 95  LEU   A HG   1 
ATOM   1796 H HD11 . LEU   A 1 95  ? -1.511  16.413  -18.595 1.00 8.07  ? 95  LEU   A HD11 1 
ATOM   1797 H HD12 . LEU   A 1 95  ? -2.596  15.633  -19.454 1.00 8.07  ? 95  LEU   A HD12 1 
ATOM   1798 H HD13 . LEU   A 1 95  ? -1.066  15.216  -19.539 1.00 8.07  ? 95  LEU   A HD13 1 
ATOM   1799 H HD21 . LEU   A 1 95  ? -0.136  18.033  -19.505 1.00 9.34  ? 95  LEU   A HD21 1 
ATOM   1800 H HD22 . LEU   A 1 95  ? 0.554   17.102  -20.592 1.00 9.34  ? 95  LEU   A HD22 1 
ATOM   1801 H HD23 . LEU   A 1 95  ? -0.180  18.438  -21.041 1.00 9.34  ? 95  LEU   A HD23 1 
ATOM   1802 N N    . TRP   A 1 96  ? -3.610  16.530  -24.391 1.00 4.22  ? 96  TRP   A N    1 
ATOM   1803 C CA   . TRP   A 1 96  ? -3.685  16.739  -25.826 1.00 4.16  ? 96  TRP   A CA   1 
ATOM   1804 C C    . TRP   A 1 96  ? -2.609  17.719  -26.245 1.00 4.49  ? 96  TRP   A C    1 
ATOM   1805 O O    . TRP   A 1 96  ? -2.566  18.848  -25.763 1.00 4.96  ? 96  TRP   A O    1 
ATOM   1806 C CB   . TRP   A 1 96  ? -5.057  17.295  -26.195 1.00 4.64  ? 96  TRP   A CB   1 
ATOM   1807 C CG   . TRP   A 1 96  ? -5.205  17.589  -27.658 1.00 4.86  ? 96  TRP   A CG   1 
ATOM   1808 C CD1  . TRP   A 1 96  ? -5.340  18.810  -28.223 1.00 6.10  ? 96  TRP   A CD1  1 
ATOM   1809 C CD2  . TRP   A 1 96  ? -5.230  16.644  -28.729 1.00 4.43  ? 96  TRP   A CD2  1 
ATOM   1810 N NE1  . TRP   A 1 96  ? -5.458  18.695  -29.588 1.00 6.80  ? 96  TRP   A NE1  1 
ATOM   1811 C CE2  . TRP   A 1 96  ? -5.375  17.372  -29.921 1.00 5.43  ? 96  TRP   A CE2  1 
ATOM   1812 C CE3  . TRP   A 1 96  ? -5.140  15.265  -28.794 1.00 4.76  ? 96  TRP   A CE3  1 
ATOM   1813 C CZ2  . TRP   A 1 96  ? -5.473  16.747  -31.161 1.00 6.40  ? 96  TRP   A CZ2  1 
ATOM   1814 C CZ3  . TRP   A 1 96  ? -5.250  14.649  -30.018 1.00 5.41  ? 96  TRP   A CZ3  1 
ATOM   1815 C CH2  . TRP   A 1 96  ? -5.385  15.388  -31.181 1.00 6.69  ? 96  TRP   A CH2  1 
ATOM   1816 H H    . TRP   A 1 96  ? -4.070  17.101  -23.943 1.00 5.06  ? 96  TRP   A H    1 
ATOM   1817 H HA   . TRP   A 1 96  ? -3.541  15.897  -26.287 1.00 5.00  ? 96  TRP   A HA   1 
ATOM   1818 H HB2  . TRP   A 1 96  ? -5.735  16.645  -25.951 1.00 5.56  ? 96  TRP   A HB2  1 
ATOM   1819 H HB3  . TRP   A 1 96  ? -5.201  18.122  -25.709 1.00 5.56  ? 96  TRP   A HB3  1 
ATOM   1820 H HD1  . TRP   A 1 96  ? -5.351  19.613  -27.755 1.00 7.31  ? 96  TRP   A HD1  1 
ATOM   1821 H HE1  . TRP   A 1 96  ? -5.566  19.347  -30.139 1.00 8.16  ? 96  TRP   A HE1  1 
ATOM   1822 H HE3  . TRP   A 1 96  ? -5.008  14.763  -28.022 1.00 5.71  ? 96  TRP   A HE3  1 
ATOM   1823 H HZ2  . TRP   A 1 96  ? -5.593  17.237  -31.942 1.00 7.67  ? 96  TRP   A HZ2  1 
ATOM   1824 H HZ3  . TRP   A 1 96  ? -5.234  13.721  -30.065 1.00 6.50  ? 96  TRP   A HZ3  1 
ATOM   1825 H HH2  . TRP   A 1 96  ? -5.417  14.945  -31.998 1.00 8.03  ? 96  TRP   A HH2  1 
ATOM   1826 N N    . TYR   A 1 97  ? -1.770  17.287  -27.171 1.00 4.72  ? 97  TYR   A N    1 
ATOM   1827 C CA   . TYR   A 1 97  ? -0.649  18.067  -27.693 1.00 5.65  ? 97  TYR   A CA   1 
ATOM   1828 C C    . TYR   A 1 97  ? -0.842  18.225  -29.205 1.00 5.97  ? 97  TYR   A C    1 
ATOM   1829 O O    . TYR   A 1 97  ? -0.186  17.536  -29.994 1.00 7.30  ? 97  TYR   A O    1 
ATOM   1830 C CB   . TYR   A 1 97  ? 0.654   17.383  -27.404 1.00 7.02  ? 97  TYR   A CB   1 
ATOM   1831 C CG   . TYR   A 1 97  ? 1.164   17.434  -25.986 1.00 5.74  ? 97  TYR   A CG   1 
ATOM   1832 C CD1  . TYR   A 1 97  ? 1.797   18.549  -25.494 1.00 7.29  ? 97  TYR   A CD1  1 
ATOM   1833 C CD2  . TYR   A 1 97  ? 1.035   16.341  -25.145 1.00 7.26  ? 97  TYR   A CD2  1 
ATOM   1834 C CE1  . TYR   A 1 97  ? 2.322   18.573  -24.218 1.00 7.50  ? 97  TYR   A CE1  1 
ATOM   1835 C CE2  . TYR   A 1 97  ? 1.569   16.345  -23.880 1.00 7.72  ? 97  TYR   A CE2  1 
ATOM   1836 C CZ   . TYR   A 1 97  ? 2.207   17.456  -23.421 1.00 7.15  ? 97  TYR   A CZ   1 
ATOM   1837 O OH   . TYR   A 1 97  ? 2.774   17.413  -22.165 1.00 8.44  ? 97  TYR   A OH   1 
ATOM   1838 H H    . TYR   A 1 97  ? -1.829  16.509  -27.533 1.00 5.67  ? 97  TYR   A H    1 
ATOM   1839 H HA   . TYR   A 1 97  ? -0.656  18.940  -27.271 1.00 6.78  ? 97  TYR   A HA   1 
ATOM   1840 H HB2  . TYR   A 1 97  ? 0.556   16.445  -27.633 1.00 8.42  ? 97  TYR   A HB2  1 
ATOM   1841 H HB3  . TYR   A 1 97  ? 1.335   17.791  -27.962 1.00 8.42  ? 97  TYR   A HB3  1 
ATOM   1842 H HD1  . TYR   A 1 97  ? 1.873   19.303  -26.033 1.00 8.75  ? 97  TYR   A HD1  1 
ATOM   1843 H HD2  . TYR   A 1 97  ? 0.578   15.588  -25.443 1.00 8.71  ? 97  TYR   A HD2  1 
ATOM   1844 H HE1  . TYR   A 1 97  ? 2.748   19.336  -23.900 1.00 9.00  ? 97  TYR   A HE1  1 
ATOM   1845 H HE2  . TYR   A 1 97  ? 1.494   15.592  -23.339 1.00 9.27  ? 97  TYR   A HE2  1 
ATOM   1846 H HH   . TYR   A 1 97  ? 2.930   16.617  -21.947 1.00 10.13 ? 97  TYR   A HH   1 
ATOM   1847 N N    . SER   A 1 98  ? -1.760  19.111  -29.588 1.00 7.12  ? 98  SER   A N    1 
ATOM   1848 C CA   A SER   A 1 98  ? -1.976  19.541  -30.978 0.69 8.76  ? 98  SER   A CA   1 
ATOM   1849 C CA   B SER   A 1 98  ? -2.036  19.555  -30.951 0.31 8.71  ? 98  SER   A CA   1 
ATOM   1850 C C    . SER   A 1 98  ? -2.613  18.514  -31.906 1.00 7.92  ? 98  SER   A C    1 
ATOM   1851 O O    . SER   A 1 98  ? -3.547  18.827  -32.656 1.00 10.07 ? 98  SER   A O    1 
ATOM   1852 C CB   A SER   A 1 98  ? -0.667  19.999  -31.650 0.69 11.26 ? 98  SER   A CB   1 
ATOM   1853 C CB   B SER   A 1 98  ? -0.803  20.199  -31.582 0.31 10.60 ? 98  SER   A CB   1 
ATOM   1854 O OG   A SER   A 1 98  ? -0.135  21.139  -31.018 0.69 13.77 ? 98  SER   A OG   1 
ATOM   1855 O OG   B SER   A 1 98  ? -1.185  20.826  -32.785 0.31 12.29 ? 98  SER   A OG   1 
ATOM   1856 H H    A SER   A 1 98  ? -2.298  19.498  -29.040 0.69 8.55  ? 98  SER   A H    1 
ATOM   1857 H H    B SER   A 1 98  ? -2.282  19.503  -29.028 0.31 8.55  ? 98  SER   A H    1 
ATOM   1858 H HA   A SER   A 1 98  ? -2.604  20.274  -30.882 0.69 10.51 ? 98  SER   A HA   1 
ATOM   1859 H HA   B SER   A 1 98  ? -2.744  20.209  -30.845 0.31 10.45 ? 98  SER   A HA   1 
ATOM   1860 H HB2  A SER   A 1 98  ? -0.019  19.279  -31.596 0.69 13.51 ? 98  SER   A HB2  1 
ATOM   1861 H HB2  B SER   A 1 98  ? -0.436  20.861  -30.975 0.31 12.72 ? 98  SER   A HB2  1 
ATOM   1862 H HB3  A SER   A 1 98  ? -0.850  20.212  -32.578 0.69 13.51 ? 98  SER   A HB3  1 
ATOM   1863 H HB3  B SER   A 1 98  ? -0.140  19.516  -31.769 0.31 12.72 ? 98  SER   A HB3  1 
ATOM   1864 H HG   A SER   A 1 98  ? 0.636   21.296  -31.311 0.69 16.53 ? 98  SER   A HG   1 
ATOM   1865 H HG   B SER   A 1 98  ? -0.510  21.143  -33.171 0.31 14.75 ? 98  SER   A HG   1 
ATOM   1866 N N    . ASN   A 1 99  ? -2.045  17.316  -31.931 1.00 6.59  ? 99  ASN   A N    1 
ATOM   1867 C CA   . ASN   A 1 99  ? -2.472  16.291  -32.874 1.00 6.78  ? 99  ASN   A CA   1 
ATOM   1868 C C    . ASN   A 1 99  ? -2.281  14.896  -32.294 1.00 5.86  ? 99  ASN   A C    1 
ATOM   1869 O O    . ASN   A 1 99  ? -2.449  13.917  -33.031 1.00 7.20  ? 99  ASN   A O    1 
ATOM   1870 C CB   . ASN   A 1 99  ? -1.728  16.369  -34.211 1.00 9.36  ? 99  ASN   A CB   1 
ATOM   1871 C CG   . ASN   A 1 99  ? -0.223  16.368  -34.033 1.00 11.56 ? 99  ASN   A CG   1 
ATOM   1872 O OD1  . ASN   A 1 99  ? 0.316   15.845  -33.073 1.00 10.46 ? 99  ASN   A OD1  1 
ATOM   1873 N ND2  . ASN   A 1 99  ? 0.469   16.912  -35.005 1.00 19.29 ? 99  ASN   A ND2  1 
ATOM   1874 H H    . ASN   A 1 99  ? -1.407  17.067  -31.411 1.00 7.91  ? 99  ASN   A H    1 
ATOM   1875 H HA   . ASN   A 1 99  ? -3.407  16.450  -33.074 1.00 8.13  ? 99  ASN   A HA   1 
ATOM   1876 H HB2  . ASN   A 1 99  ? -1.969  15.602  -34.754 1.00 11.23 ? 99  ASN   A HB2  1 
ATOM   1877 H HB3  . ASN   A 1 99  ? -1.978  17.189  -34.666 1.00 11.23 ? 99  ASN   A HB3  1 
ATOM   1878 H HD21 . ASN   A 1 99  ? 0.064   17.241  -35.689 1.00 23.15 ? 99  ASN   A HD21 1 
ATOM   1879 H HD22 . ASN   A 1 99  ? 1.327   16.940  -34.958 1.00 23.15 ? 99  ASN   A HD22 1 
ATOM   1880 N N    . HIS   A 1 100 ? -1.991  14.763  -31.004 1.00 4.83  ? 100 HIS   A N    1 
ATOM   1881 C CA   A HIS   A 1 100 ? -2.015  13.457  -30.380 0.56 4.44  ? 100 HIS   A CA   1 
ATOM   1882 C CA   B HIS   A 1 100 ? -1.884  13.456  -30.373 0.44 5.50  ? 100 HIS   A CA   1 
ATOM   1883 C C    . HIS   A 1 100 ? -2.123  13.611  -28.875 1.00 4.66  ? 100 HIS   A C    1 
ATOM   1884 O O    . HIS   A 1 100 ? -1.845  14.669  -28.312 1.00 4.81  ? 100 HIS   A O    1 
ATOM   1885 C CB   A HIS   A 1 100 ? -0.788  12.613  -30.723 0.56 5.96  ? 100 HIS   A CB   1 
ATOM   1886 C CB   B HIS   A 1 100 ? -0.519  12.788  -30.644 0.44 5.07  ? 100 HIS   A CB   1 
ATOM   1887 C CG   A HIS   A 1 100 ? 0.498   13.105  -30.129 0.56 4.45  ? 100 HIS   A CG   1 
ATOM   1888 C CG   B HIS   A 1 100 ? 0.666   13.515  -30.081 0.44 7.56  ? 100 HIS   A CG   1 
ATOM   1889 N ND1  A HIS   A 1 100 ? 1.467   12.240  -29.673 0.56 4.83  ? 100 HIS   A ND1  1 
ATOM   1890 N ND1  B HIS   A 1 100 ? 1.077   14.758  -30.519 0.44 10.57 ? 100 HIS   A ND1  1 
ATOM   1891 C CD2  A HIS   A 1 100 ? 0.990   14.351  -29.933 0.56 4.86  ? 100 HIS   A CD2  1 
ATOM   1892 C CD2  B HIS   A 1 100 ? 1.567   13.135  -29.145 0.44 7.81  ? 100 HIS   A CD2  1 
ATOM   1893 C CE1  A HIS   A 1 100 ? 2.506   12.930  -29.236 0.56 4.43  ? 100 HIS   A CE1  1 
ATOM   1894 C CE1  B HIS   A 1 100 ? 2.158   15.126  -29.852 0.44 11.47 ? 100 HIS   A CE1  1 
ATOM   1895 N NE2  A HIS   A 1 100 ? 2.240   14.214  -29.381 0.56 5.72  ? 100 HIS   A NE2  1 
ATOM   1896 N NE2  B HIS   A 1 100 ? 2.486   14.150  -29.025 0.44 8.12  ? 100 HIS   A NE2  1 
ATOM   1897 H H    A HIS   A 1 100 ? -1.779  15.410  -30.479 0.56 5.79  ? 100 HIS   A H    1 
ATOM   1898 H H    B HIS   A 1 100 ? -1.849  15.422  -30.469 0.44 5.79  ? 100 HIS   A H    1 
ATOM   1899 H HA   A HIS   A 1 100 ? -2.804  12.995  -30.705 0.56 5.33  ? 100 HIS   A HA   1 
ATOM   1900 H HA   B HIS   A 1 100 ? -2.572  12.872  -30.730 0.44 6.60  ? 100 HIS   A HA   1 
ATOM   1901 H HB2  A HIS   A 1 100 ? -0.934  11.711  -30.397 0.56 7.15  ? 100 HIS   A HB2  1 
ATOM   1902 H HB2  B HIS   A 1 100 ? -0.528  11.900  -30.254 0.44 6.09  ? 100 HIS   A HB2  1 
ATOM   1903 H HB3  A HIS   A 1 100 ? -0.680  12.604  -31.687 0.56 7.15  ? 100 HIS   A HB3  1 
ATOM   1904 H HB3  B HIS   A 1 100 ? -0.393  12.727  -31.604 0.44 6.09  ? 100 HIS   A HB3  1 
ATOM   1905 H HD1  A HIS   A 1 100 ? 1.406   11.382  -29.674 0.56 5.79  ? 100 HIS   A HD1  1 
ATOM   1906 H HD2  A HIS   A 1 100 ? 0.560   15.152  -30.134 0.56 5.83  ? 100 HIS   A HD2  1 
ATOM   1907 H HD2  B HIS   A 1 100 ? 1.564   12.335  -28.671 0.44 9.38  ? 100 HIS   A HD2  1 
ATOM   1908 H HE1  A HIS   A 1 100 ? 3.289   12.572  -28.885 0.56 5.32  ? 100 HIS   A HE1  1 
ATOM   1909 H HE1  B HIS   A 1 100 ? 2.610   15.933  -29.948 0.44 13.77 ? 100 HIS   A HE1  1 
ATOM   1910 H HE2  B HIS   A 1 100 ? 3.165   14.150  -28.497 0.44 9.74  ? 100 HIS   A HE2  1 
ATOM   1911 N N    . TRP   A 1 101 ? -2.574  12.532  -28.247 1.00 4.29  ? 101 TRP   A N    1 
ATOM   1912 C CA   . TRP   A 1 101 ? -2.647  12.431  -26.795 1.00 4.14  ? 101 TRP   A CA   1 
ATOM   1913 C C    . TRP   A 1 101 ? -1.382  11.784  -26.271 1.00 3.91  ? 101 TRP   A C    1 
ATOM   1914 O O    . TRP   A 1 101 ? -0.856  10.847  -26.876 1.00 5.06  ? 101 TRP   A O    1 
ATOM   1915 C CB   . TRP   A 1 101 ? -3.838  11.565  -26.380 1.00 3.97  ? 101 TRP   A CB   1 
ATOM   1916 C CG   . TRP   A 1 101 ? -5.172  12.222  -26.616 1.00 3.96  ? 101 TRP   A CG   1 
ATOM   1917 C CD1  . TRP   A 1 101 ? -5.946  12.111  -27.727 1.00 4.68  ? 101 TRP   A CD1  1 
ATOM   1918 C CD2  . TRP   A 1 101 ? -5.854  13.110  -25.735 1.00 3.83  ? 101 TRP   A CD2  1 
ATOM   1919 N NE1  . TRP   A 1 101 ? -7.067  12.873  -27.600 1.00 4.75  ? 101 TRP   A NE1  1 
ATOM   1920 C CE2  . TRP   A 1 101 ? -7.033  13.499  -26.379 1.00 3.96  ? 101 TRP   A CE2  1 
ATOM   1921 C CE3  . TRP   A 1 101 ? -5.586  13.609  -24.448 1.00 4.18  ? 101 TRP   A CE3  1 
ATOM   1922 C CZ2  . TRP   A 1 101 ? -7.961  14.346  -25.771 1.00 4.77  ? 101 TRP   A CZ2  1 
ATOM   1923 C CZ3  . TRP   A 1 101 ? -6.499  14.448  -23.868 1.00 4.26  ? 101 TRP   A CZ3  1 
ATOM   1924 C CH2  . TRP   A 1 101 ? -7.666  14.815  -24.519 1.00 4.38  ? 101 TRP   A CH2  1 
ATOM   1925 H H    . TRP   A 1 101 ? -2.852  11.825  -28.650 1.00 5.15  ? 101 TRP   A H    1 
ATOM   1926 H HA   . TRP   A 1 101 ? -2.747  13.317  -26.414 1.00 4.97  ? 101 TRP   A HA   1 
ATOM   1927 H HB2  . TRP   A 1 101 ? -3.818  10.741  -26.891 1.00 4.76  ? 101 TRP   A HB2  1 
ATOM   1928 H HB3  . TRP   A 1 101 ? -3.767  11.369  -25.432 1.00 4.76  ? 101 TRP   A HB3  1 
ATOM   1929 H HD1  . TRP   A 1 101 ? -5.739  11.590  -28.468 1.00 5.62  ? 101 TRP   A HD1  1 
ATOM   1930 H HE1  . TRP   A 1 101 ? -7.691  12.949  -28.186 1.00 5.70  ? 101 TRP   A HE1  1 
ATOM   1931 H HE3  . TRP   A 1 101 ? -4.806  13.373  -24.000 1.00 5.02  ? 101 TRP   A HE3  1 
ATOM   1932 H HZ2  . TRP   A 1 101 ? -8.751  14.583  -26.201 1.00 5.72  ? 101 TRP   A HZ2  1 
ATOM   1933 H HZ3  . TRP   A 1 101 ? -6.332  14.780  -23.016 1.00 5.12  ? 101 TRP   A HZ3  1 
ATOM   1934 H HH2  . TRP   A 1 101 ? -8.261  15.392  -24.097 1.00 5.26  ? 101 TRP   A HH2  1 
ATOM   1935 N N    . VAL   A 1 102 ? -0.925  12.264  -25.112 1.00 3.70  ? 102 VAL   A N    1 
ATOM   1936 C CA   . VAL   A 1 102 ? 0.186   11.690  -24.380 1.00 4.25  ? 102 VAL   A CA   1 
ATOM   1937 C C    . VAL   A 1 102 ? -0.291  11.392  -22.956 1.00 4.13  ? 102 VAL   A C    1 
ATOM   1938 O O    . VAL   A 1 102 ? -0.773  12.285  -22.260 1.00 4.40  ? 102 VAL   A O    1 
ATOM   1939 C CB   . VAL   A 1 102 ? 1.390   12.644  -24.365 1.00 5.49  ? 102 VAL   A CB   1 
ATOM   1940 C CG1  . VAL   A 1 102 ? 2.534   12.058  -23.557 1.00 6.99  ? 102 VAL   A CG1  1 
ATOM   1941 C CG2  . VAL   A 1 102 ? 1.840   12.939  -25.773 1.00 6.15  ? 102 VAL   A CG2  1 
ATOM   1942 H H    . VAL   A 1 102 ? -1.263  12.950  -24.719 1.00 4.44  ? 102 VAL   A H    1 
ATOM   1943 H HA   . VAL   A 1 102 ? 0.457   10.852  -24.785 1.00 5.10  ? 102 VAL   A HA   1 
ATOM   1944 H HB   . VAL   A 1 102 ? 1.121   13.476  -23.946 1.00 6.59  ? 102 VAL   A HB   1 
ATOM   1945 H HG11 . VAL   A 1 102 ? 3.275   12.684  -23.558 1.00 8.38  ? 102 VAL   A HG11 1 
ATOM   1946 H HG12 . VAL   A 1 102 ? 2.233   11.904  -22.648 1.00 8.38  ? 102 VAL   A HG12 1 
ATOM   1947 H HG13 . VAL   A 1 102 ? 2.809   11.220  -23.960 1.00 8.38  ? 102 VAL   A HG13 1 
ATOM   1948 H HG21 . VAL   A 1 102 ? 2.580   13.565  -25.743 1.00 7.38  ? 102 VAL   A HG21 1 
ATOM   1949 H HG22 . VAL   A 1 102 ? 2.122   12.112  -26.194 1.00 7.38  ? 102 VAL   A HG22 1 
ATOM   1950 H HG23 . VAL   A 1 102 ? 1.100   13.326  -26.267 1.00 7.38  ? 102 VAL   A HG23 1 
ATOM   1951 N N    . PHE   A 1 103 ? -0.151  10.144  -22.531 1.00 4.57  ? 103 PHE   A N    1 
ATOM   1952 C CA   A PHE   A 1 103 ? -0.474  9.745   -21.172 0.57 4.55  ? 103 PHE   A CA   1 
ATOM   1953 C CA   B PHE   A 1 103 ? -0.499  9.755   -21.178 0.43 4.78  ? 103 PHE   A CA   1 
ATOM   1954 C C    . PHE   A 1 103 ? 0.713   9.929   -20.253 1.00 4.95  ? 103 PHE   A C    1 
ATOM   1955 O O    . PHE   A 1 103 ? 1.874   9.703   -20.632 1.00 6.02  ? 103 PHE   A O    1 
ATOM   1956 C CB   A PHE   A 1 103 ? -0.863  8.276   -21.100 0.57 4.68  ? 103 PHE   A CB   1 
ATOM   1957 C CB   B PHE   A 1 103 ? -0.995  8.303   -21.160 0.43 6.09  ? 103 PHE   A CB   1 
ATOM   1958 C CG   A PHE   A 1 103 ? -2.165  7.985   -21.735 0.57 5.14  ? 103 PHE   A CG   1 
ATOM   1959 C CG   B PHE   A 1 103 ? -2.436  8.121   -21.629 0.43 4.70  ? 103 PHE   A CG   1 
ATOM   1960 C CD1  A PHE   A 1 103 ? -3.328  8.146   -21.024 0.57 5.21  ? 103 PHE   A CD1  1 
ATOM   1961 C CD1  B PHE   A 1 103 ? -2.753  7.977   -22.978 0.43 6.64  ? 103 PHE   A CD1  1 
ATOM   1962 C CD2  A PHE   A 1 103 ? -2.229  7.535   -23.038 0.57 4.98  ? 103 PHE   A CD2  1 
ATOM   1963 C CD2  B PHE   A 1 103 ? -3.460  8.061   -20.701 0.43 6.45  ? 103 PHE   A CD2  1 
ATOM   1964 C CE1  A PHE   A 1 103 ? -4.552  7.870   -21.594 0.57 4.66  ? 103 PHE   A CE1  1 
ATOM   1965 C CE1  B PHE   A 1 103 ? -4.069  7.793   -23.375 0.43 7.97  ? 103 PHE   A CE1  1 
ATOM   1966 C CE2  A PHE   A 1 103 ? -3.444  7.277   -23.615 0.57 6.31  ? 103 PHE   A CE2  1 
ATOM   1967 C CE2  B PHE   A 1 103 ? -4.772  7.883   -21.102 0.43 5.83  ? 103 PHE   A CE2  1 
ATOM   1968 C CZ   A PHE   A 1 103 ? -4.611  7.440   -22.903 0.57 4.86  ? 103 PHE   A CZ   1 
ATOM   1969 C CZ   B PHE   A 1 103 ? -5.074  7.748   -22.433 0.43 6.14  ? 103 PHE   A CZ   1 
ATOM   1970 H H    A PHE   A 1 103 ? 0.136   9.498   -23.021 0.57 5.49  ? 103 PHE   A H    1 
ATOM   1971 H H    B PHE   A 1 103 ? 0.148   9.499   -23.014 0.43 5.49  ? 103 PHE   A H    1 
ATOM   1972 H HA   A PHE   A 1 103 ? -1.214  10.299  -20.878 0.57 5.45  ? 103 PHE   A HA   1 
ATOM   1973 H HA   B PHE   A 1 103 ? -1.213  10.316  -20.838 0.43 5.74  ? 103 PHE   A HA   1 
ATOM   1974 H HB2  A PHE   A 1 103 ? -0.186  7.750   -21.554 0.57 5.62  ? 103 PHE   A HB2  1 
ATOM   1975 H HB2  B PHE   A 1 103 ? -0.428  7.775   -21.744 0.43 7.31  ? 103 PHE   A HB2  1 
ATOM   1976 H HB3  A PHE   A 1 103 ? -0.920  8.012   -20.169 0.57 5.62  ? 103 PHE   A HB3  1 
ATOM   1977 H HB3  B PHE   A 1 103 ? -0.939  7.968   -20.251 0.43 7.31  ? 103 PHE   A HB3  1 
ATOM   1978 H HD1  A PHE   A 1 103 ? -3.290  8.446   -20.145 0.57 6.25  ? 103 PHE   A HD1  1 
ATOM   1979 H HD1  B PHE   A 1 103 ? -2.078  8.005   -23.617 0.43 7.97  ? 103 PHE   A HD1  1 
ATOM   1980 H HD2  A PHE   A 1 103 ? -1.447  7.406   -23.524 0.57 5.98  ? 103 PHE   A HD2  1 
ATOM   1981 H HD2  B PHE   A 1 103 ? -3.263  8.141   -19.795 0.43 7.73  ? 103 PHE   A HD2  1 
ATOM   1982 H HE1  A PHE   A 1 103 ? -5.332  7.974   -21.099 0.57 5.59  ? 103 PHE   A HE1  1 
ATOM   1983 H HE1  B PHE   A 1 103 ? -4.273  7.700   -24.277 0.43 9.56  ? 103 PHE   A HE1  1 
ATOM   1984 H HE2  A PHE   A 1 103 ? -3.482  6.989   -24.498 0.57 7.57  ? 103 PHE   A HE2  1 
ATOM   1985 H HE2  B PHE   A 1 103 ? -5.451  7.856   -20.467 0.43 7.00  ? 103 PHE   A HE2  1 
ATOM   1986 H HZ   A PHE   A 1 103 ? -5.432  7.260   -23.302 0.57 5.83  ? 103 PHE   A HZ   1 
ATOM   1987 H HZ   B PHE   A 1 103 ? -5.957  7.626   -22.700 0.43 7.37  ? 103 PHE   A HZ   1 
ATOM   1988 N N    . GLY   A 1 104 ? 0.429   10.311  -19.016 1.00 4.76  ? 104 GLY   A N    1 
ATOM   1989 C CA   . GLY   A 1 104 ? 1.394   10.222  -17.953 1.00 5.53  ? 104 GLY   A CA   1 
ATOM   1990 C C    . GLY   A 1 104 ? 1.698   8.790   -17.604 1.00 5.30  ? 104 GLY   A C    1 
ATOM   1991 O O    . GLY   A 1 104 ? 1.024   7.864   -18.033 1.00 5.71  ? 104 GLY   A O    1 
ATOM   1992 H H    . GLY   A 1 104 ? -0.331  10.629  -18.770 1.00 5.72  ? 104 GLY   A H    1 
ATOM   1993 H HA2  . GLY   A 1 104 ? 2.217   10.656  -18.225 1.00 6.63  ? 104 GLY   A HA2  1 
ATOM   1994 H HA3  . GLY   A 1 104 ? 1.048   10.666  -17.163 1.00 6.63  ? 104 GLY   A HA3  1 
ATOM   1995 N N    . GLY   A 1 105 ? 2.704   8.601   -16.742 1.00 5.62  ? 105 GLY   A N    1 
ATOM   1996 C CA   . GLY   A 1 105 ? 3.122   7.259   -16.384 1.00 6.05  ? 105 GLY   A CA   1 
ATOM   1997 C C    . GLY   A 1 105 ? 2.268   6.558   -15.351 1.00 6.08  ? 105 GLY   A C    1 
ATOM   1998 O O    . GLY   A 1 105 ? 2.503   5.375   -15.087 1.00 7.45  ? 105 GLY   A O    1 
ATOM   1999 H H    . GLY   A 1 105 ? 3.150   9.230   -16.360 1.00 6.74  ? 105 GLY   A H    1 
ATOM   2000 H HA2  . GLY   A 1 105 ? 3.119   6.712   -17.185 1.00 7.26  ? 105 GLY   A HA2  1 
ATOM   2001 H HA3  . GLY   A 1 105 ? 4.026   7.302   -16.034 1.00 7.26  ? 105 GLY   A HA3  1 
ATOM   2002 N N    . GLY   A 1 106 ? 1.307   7.245   -14.761 1.00 5.50  ? 106 GLY   A N    1 
ATOM   2003 C CA   . GLY   A 1 106 ? 0.391   6.668   -13.796 1.00 5.92  ? 106 GLY   A CA   1 
ATOM   2004 C C    . GLY   A 1 106 ? 0.899   6.795   -12.377 1.00 5.36  ? 106 GLY   A C    1 
ATOM   2005 O O    . GLY   A 1 106 ? 2.093   6.744   -12.105 1.00 7.37  ? 106 GLY   A O    1 
ATOM   2006 H H    . GLY   A 1 106 ? 1.157   8.079   -14.908 1.00 6.60  ? 106 GLY   A H    1 
ATOM   2007 H HA2  . GLY   A 1 106 ? -0.466  7.119   -13.856 1.00 7.10  ? 106 GLY   A HA2  1 
ATOM   2008 H HA3  . GLY   A 1 106 ? 0.267   5.726   -13.994 1.00 7.10  ? 106 GLY   A HA3  1 
ATOM   2009 N N    . THR   A 1 107 ? -0.031  6.969   -11.449 1.00 4.82  ? 107 THR   A N    1 
ATOM   2010 C CA   . THR   A 1 107 ? 0.244   6.992   -10.015 1.00 4.83  ? 107 THR   A CA   1 
ATOM   2011 C C    . THR   A 1 107 ? -0.501  5.844   -9.364  1.00 4.75  ? 107 THR   A C    1 
ATOM   2012 O O    . THR   A 1 107 ? -1.728  5.748   -9.484  1.00 5.13  ? 107 THR   A O    1 
ATOM   2013 C CB   . THR   A 1 107 ? -0.224  8.303   -9.375  1.00 5.29  ? 107 THR   A CB   1 
ATOM   2014 O OG1  . THR   A 1 107 ? 0.426   9.416   -9.965  1.00 5.99  ? 107 THR   A OG1  1 
ATOM   2015 C CG2  . THR   A 1 107 ? -0.003  8.311   -7.864  1.00 6.53  ? 107 THR   A CG2  1 
ATOM   2016 H H    . THR   A 1 107 ? -0.864  7.081   -11.630 1.00 5.78  ? 107 THR   A H    1 
ATOM   2017 H HA   . THR   A 1 107 ? 1.199   6.891   -9.880  1.00 5.80  ? 107 THR   A HA   1 
ATOM   2018 H HB   . THR   A 1 107 ? -1.178  8.385   -9.529  1.00 6.35  ? 107 THR   A HB   1 
ATOM   2019 H HG1  . THR   A 1 107 ? 1.259   9.329   -9.903  1.00 7.19  ? 107 THR   A HG1  1 
ATOM   2020 H HG21 . THR   A 1 107 ? -0.208  9.187   -7.503  1.00 7.84  ? 107 THR   A HG21 1 
ATOM   2021 H HG22 . THR   A 1 107 ? -0.579  7.654   -7.441  1.00 7.84  ? 107 THR   A HG22 1 
ATOM   2022 H HG23 . THR   A 1 107 ? 0.921   8.095   -7.662  1.00 7.84  ? 107 THR   A HG23 1 
ATOM   2023 N N    . LYS   A 1 108 ? 0.229   4.997   -8.645  1.00 4.69  ? 108 LYS   A N    1 
ATOM   2024 C CA   A LYS   A 1 108 ? -0.395  3.913   -7.893  0.60 6.05  ? 108 LYS   A CA   1 
ATOM   2025 C CA   B LYS   A 1 108 ? -0.383  3.907   -7.892  0.40 4.37  ? 108 LYS   A CA   1 
ATOM   2026 C C    . LYS   A 1 108 ? -0.866  4.447   -6.555  1.00 5.33  ? 108 LYS   A C    1 
ATOM   2027 O O    . LYS   A 1 108 ? -0.059  4.814   -5.720  1.00 7.09  ? 108 LYS   A O    1 
ATOM   2028 C CB   A LYS   A 1 108 ? 0.590   2.773   -7.684  0.60 8.42  ? 108 LYS   A CB   1 
ATOM   2029 C CB   B LYS   A 1 108 ? 0.640   2.793   -7.698  0.40 6.71  ? 108 LYS   A CB   1 
ATOM   2030 C CG   A LYS   A 1 108 ? -0.010  1.620   -6.893  0.60 10.95 ? 108 LYS   A CG   1 
ATOM   2031 C CG   B LYS   A 1 108 ? 1.126   2.199   -9.011  0.40 10.28 ? 108 LYS   A CG   1 
ATOM   2032 C CD   A LYS   A 1 108 ? 0.923   0.425   -6.835  0.60 15.85 ? 108 LYS   A CD   1 
ATOM   2033 C CD   B LYS   A 1 108 ? 2.126   1.073   -8.805  0.40 14.37 ? 108 LYS   A CD   1 
ATOM   2034 C CE   A LYS   A 1 108 ? 0.465   -0.558  -5.782  0.60 21.45 ? 108 LYS   A CE   1 
ATOM   2035 C CE   B LYS   A 1 108 ? 2.389   0.339   -10.106 0.40 18.04 ? 108 LYS   A CE   1 
ATOM   2036 N NZ   A LYS   A 1 108 ? 1.473   -1.616  -5.553  0.60 25.54 ? 108 LYS   A NZ   1 
ATOM   2037 N NZ   B LYS   A 1 108 ? 3.387   -0.740  -9.922  0.40 20.53 ? 108 LYS   A NZ   1 
ATOM   2038 H H    A LYS   A 1 108 ? 1.085   5.029   -8.576  0.60 5.63  ? 108 LYS   A H    1 
ATOM   2039 H H    B LYS   A 1 108 ? 1.085   5.033   -8.576  0.40 5.63  ? 108 LYS   A H    1 
ATOM   2040 H HA   A LYS   A 1 108 ? -1.158  3.582   -8.391  0.60 7.26  ? 108 LYS   A HA   1 
ATOM   2041 H HA   B LYS   A 1 108 ? -1.148  3.554   -8.372  0.40 5.25  ? 108 LYS   A HA   1 
ATOM   2042 H HB2  A LYS   A 1 108 ? 0.868   2.433   -8.549  0.60 10.11 ? 108 LYS   A HB2  1 
ATOM   2043 H HB2  B LYS   A 1 108 ? 1.409   3.151   -7.227  0.40 8.05  ? 108 LYS   A HB2  1 
ATOM   2044 H HB3  A LYS   A 1 108 ? 1.359   3.106   -7.196  0.60 10.11 ? 108 LYS   A HB3  1 
ATOM   2045 H HB3  B LYS   A 1 108 ? 0.235   2.081   -7.178  0.40 8.05  ? 108 LYS   A HB3  1 
ATOM   2046 H HG2  A LYS   A 1 108 ? -0.185  1.912   -5.985  0.60 13.14 ? 108 LYS   A HG2  1 
ATOM   2047 H HG2  B LYS   A 1 108 ? 0.367   1.841   -9.498  0.40 12.33 ? 108 LYS   A HG2  1 
ATOM   2048 H HG3  A LYS   A 1 108 ? -0.836  1.338   -7.316  0.60 13.14 ? 108 LYS   A HG3  1 
ATOM   2049 H HG3  B LYS   A 1 108 ? 1.558   2.893   -9.533  0.40 12.33 ? 108 LYS   A HG3  1 
ATOM   2050 H HD2  A LYS   A 1 108 ? 0.929   -0.025  -7.695  0.60 19.02 ? 108 LYS   A HD2  1 
ATOM   2051 H HD2  B LYS   A 1 108 ? 2.965   1.440   -8.484  0.40 17.24 ? 108 LYS   A HD2  1 
ATOM   2052 H HD3  A LYS   A 1 108 ? 1.819   0.723   -6.611  0.60 19.02 ? 108 LYS   A HD3  1 
ATOM   2053 H HD3  B LYS   A 1 108 ? 1.773   0.440   -8.160  0.40 17.24 ? 108 LYS   A HD3  1 
ATOM   2054 H HE2  A LYS   A 1 108 ? 0.321   -0.088  -4.945  0.60 25.74 ? 108 LYS   A HE2  1 
ATOM   2055 H HE2  B LYS   A 1 108 ? 1.563   -0.060  -10.423 0.40 21.65 ? 108 LYS   A HE2  1 
ATOM   2056 H HE3  A LYS   A 1 108 ? -0.359  -0.979  -6.072  0.60 25.74 ? 108 LYS   A HE3  1 
ATOM   2057 H HE3  B LYS   A 1 108 ? 2.731   0.963   -10.765 0.40 21.65 ? 108 LYS   A HE3  1 
ATOM   2058 H HZ1  A LYS   A 1 108 ? 1.205   -2.155  -4.897  0.60 30.64 ? 108 LYS   A HZ1  1 
ATOM   2059 H HZ1  B LYS   A 1 108 ? 3.540   -1.148  -10.698 0.40 24.63 ? 108 LYS   A HZ1  1 
ATOM   2060 H HZ2  A LYS   A 1 108 ? 1.584   -2.096  -6.294  0.60 30.64 ? 108 LYS   A HZ2  1 
ATOM   2061 H HZ2  B LYS   A 1 108 ? 4.152   -0.399  -9.620  0.40 24.63 ? 108 LYS   A HZ2  1 
ATOM   2062 H HZ3  A LYS   A 1 108 ? 2.252   -1.250  -5.326  0.60 30.64 ? 108 LYS   A HZ3  1 
ATOM   2063 H HZ3  B LYS   A 1 108 ? 3.085   -1.337  -9.336  0.40 24.63 ? 108 LYS   A HZ3  1 
ATOM   2064 N N    . LEU   A 1 109 ? -2.183  4.457   -6.336  1.00 5.05  ? 109 LEU   A N    1 
ATOM   2065 C CA   . LEU   A 1 109 ? -2.772  4.901   -5.074  1.00 4.50  ? 109 LEU   A CA   1 
ATOM   2066 C C    . LEU   A 1 109 ? -3.175  3.681   -4.265  1.00 4.96  ? 109 LEU   A C    1 
ATOM   2067 O O    . LEU   A 1 109 ? -4.034  2.896   -4.695  1.00 5.84  ? 109 LEU   A O    1 
ATOM   2068 C CB   . LEU   A 1 109 ? -4.004  5.778   -5.317  1.00 5.32  ? 109 LEU   A CB   1 
ATOM   2069 C CG   . LEU   A 1 109 ? -4.679  6.296   -4.038  1.00 5.68  ? 109 LEU   A CG   1 
ATOM   2070 C CD1  . LEU   A 1 109 ? -3.761  7.236   -3.265  1.00 6.43  ? 109 LEU   A CD1  1 
ATOM   2071 C CD2  . LEU   A 1 109 ? -6.025  6.951   -4.358  1.00 6.79  ? 109 LEU   A CD2  1 
ATOM   2072 H H    . LEU   A 1 109 ? -2.766  4.205   -6.916  1.00 6.06  ? 109 LEU   A H    1 
ATOM   2073 H HA   . LEU   A 1 109 ? -2.113  5.415   -4.582  1.00 5.40  ? 109 LEU   A HA   1 
ATOM   2074 H HB2  . LEU   A 1 109 ? -3.735  6.549   -5.840  1.00 6.38  ? 109 LEU   A HB2  1 
ATOM   2075 H HB3  . LEU   A 1 109 ? -4.661  5.257   -5.805  1.00 6.38  ? 109 LEU   A HB3  1 
ATOM   2076 H HG   . LEU   A 1 109 ? -4.858  5.541   -3.455  1.00 6.82  ? 109 LEU   A HG   1 
ATOM   2077 H HD11 . LEU   A 1 109 ? -4.220  7.540   -2.467  1.00 7.72  ? 109 LEU   A HD11 1 
ATOM   2078 H HD12 . LEU   A 1 109 ? -2.953  6.757   -3.020  1.00 7.72  ? 109 LEU   A HD12 1 
ATOM   2079 H HD13 . LEU   A 1 109 ? -3.538  7.994   -3.828  1.00 7.72  ? 109 LEU   A HD13 1 
ATOM   2080 H HD21 . LEU   A 1 109 ? -6.389  7.338   -3.547  1.00 8.15  ? 109 LEU   A HD21 1 
ATOM   2081 H HD22 . LEU   A 1 109 ? -5.889  7.644   -5.023  1.00 8.15  ? 109 LEU   A HD22 1 
ATOM   2082 H HD23 . LEU   A 1 109 ? -6.631  6.276   -4.703  1.00 8.15  ? 109 LEU   A HD23 1 
ATOM   2083 N N    . THR   A 1 110 ? -2.601  3.548   -3.077  1.00 5.02  ? 110 THR   A N    1 
ATOM   2084 C CA   . THR   A 1 110 ? -2.986  2.536   -2.108  1.00 6.07  ? 110 THR   A CA   1 
ATOM   2085 C C    . THR   A 1 110 ? -3.883  3.198   -1.072  1.00 5.59  ? 110 THR   A C    1 
ATOM   2086 O O    . THR   A 1 110 ? -3.592  4.301   -0.606  1.00 7.02  ? 110 THR   A O    1 
ATOM   2087 C CB   . THR   A 1 110 ? -1.735  1.944   -1.450  1.00 8.16  ? 110 THR   A CB   1 
ATOM   2088 O OG1  . THR   A 1 110 ? -0.975  1.260   -2.446  1.00 9.59  ? 110 THR   A OG1  1 
ATOM   2089 C CG2  . THR   A 1 110 ? -2.066  0.975   -0.326  1.00 10.39 ? 110 THR   A CG2  1 
ATOM   2090 H H    . THR   A 1 110 ? -1.962  4.053   -2.800  1.00 6.03  ? 110 THR   A H    1 
ATOM   2091 H HA   . THR   A 1 110 ? -3.477  1.812   -2.528  1.00 7.28  ? 110 THR   A HA   1 
ATOM   2092 H HB   . THR   A 1 110 ? -1.223  2.667   -1.055  1.00 9.80  ? 110 THR   A HB   1 
ATOM   2093 H HG1  . THR   A 1 110 ? -0.699  1.806   -3.022  1.00 11.50 ? 110 THR   A HG1  1 
ATOM   2094 H HG21 . THR   A 1 110 ? -1.253  0.566   0.009   1.00 12.47 ? 110 THR   A HG21 1 
ATOM   2095 H HG22 . THR   A 1 110 ? -2.504  1.446   0.400   1.00 12.47 ? 110 THR   A HG22 1 
ATOM   2096 H HG23 . THR   A 1 110 ? -2.658  0.279   -0.652  1.00 12.47 ? 110 THR   A HG23 1 
ATOM   2097 N N    . VAL   A 1 111 ? -4.986  2.537   -0.726  1.00 6.31  ? 111 VAL   A N    1 
ATOM   2098 C CA   . VAL   A 1 111 ? -5.890  3.029   0.316   1.00 6.22  ? 111 VAL   A CA   1 
ATOM   2099 C C    . VAL   A 1 111 ? -5.917  1.985   1.418   1.00 6.57  ? 111 VAL   A C    1 
ATOM   2100 O O    . VAL   A 1 111 ? -6.333  0.842   1.191   1.00 8.23  ? 111 VAL   A O    1 
ATOM   2101 C CB   . VAL   A 1 111 ? -7.305  3.309   -0.192  1.00 6.26  ? 111 VAL   A CB   1 
ATOM   2102 C CG1  . VAL   A 1 111 ? -8.140  3.935   0.947   1.00 7.10  ? 111 VAL   A CG1  1 
ATOM   2103 C CG2  . VAL   A 1 111 ? -7.330  4.209   -1.400  1.00 6.96  ? 111 VAL   A CG2  1 
ATOM   2104 H H    . VAL   A 1 111 ? -5.235  1.795   -1.083  1.00 7.57  ? 111 VAL   A H    1 
ATOM   2105 H HA   . VAL   A 1 111 ? -5.531  3.859   0.667   1.00 7.47  ? 111 VAL   A HA   1 
ATOM   2106 H HB   . VAL   A 1 111 ? -7.691  2.464   -0.471  1.00 7.51  ? 111 VAL   A HB   1 
ATOM   2107 H HG11 . VAL   A 1 111 ? -9.056  4.036   0.647   1.00 8.52  ? 111 VAL   A HG11 1 
ATOM   2108 H HG12 . VAL   A 1 111 ? -8.108  3.350   1.720   1.00 8.52  ? 111 VAL   A HG12 1 
ATOM   2109 H HG13 . VAL   A 1 111 ? -7.767  4.801   1.172   1.00 8.52  ? 111 VAL   A HG13 1 
ATOM   2110 H HG21 . VAL   A 1 111 ? -8.252  4.373   -1.652  1.00 8.35  ? 111 VAL   A HG21 1 
ATOM   2111 H HG22 . VAL   A 1 111 ? -6.894  5.047   -1.179  1.00 8.35  ? 111 VAL   A HG22 1 
ATOM   2112 H HG23 . VAL   A 1 111 ? -6.860  3.773   -2.128  1.00 8.35  ? 111 VAL   A HG23 1 
ATOM   2113 N N    . LEU   A 1 112 ? -5.407  2.348   2.590   1.00 8.06  ? 112 LEU   A N    1 
ATOM   2114 C CA   . LEU   A 1 112 ? -5.389  1.411   3.700   1.00 9.21  ? 112 LEU   A CA   1 
ATOM   2115 C C    . LEU   A 1 112 ? -6.815  1.142   4.159   1.00 10.69 ? 112 LEU   A C    1 
ATOM   2116 O O    . LEU   A 1 112 ? -7.725  1.950   3.967   1.00 12.79 ? 112 LEU   A O    1 
ATOM   2117 C CB   . LEU   A 1 112 ? -4.533  1.934   4.852   1.00 12.32 ? 112 LEU   A CB   1 
ATOM   2118 C CG   . LEU   A 1 112 ? -3.076  2.190   4.492   1.00 13.96 ? 112 LEU   A CG   1 
ATOM   2119 C CD1  . LEU   A 1 112 ? -2.285  2.599   5.728   1.00 19.34 ? 112 LEU   A CD1  1 
ATOM   2120 C CD2  . LEU   A 1 112 ? -2.439  1.013   3.763   1.00 16.21 ? 112 LEU   A CD2  1 
ATOM   2121 H H    . LEU   A 1 112 ? -5.071  3.120   2.763   1.00 9.67  ? 112 LEU   A H    1 
ATOM   2122 H HA   . LEU   A 1 112 ? -4.991  0.572   3.419   1.00 11.06 ? 112 LEU   A HA   1 
ATOM   2123 H HB2  . LEU   A 1 112 ? -4.912  2.772   5.161   1.00 14.78 ? 112 LEU   A HB2  1 
ATOM   2124 H HB3  . LEU   A 1 112 ? -4.548  1.280   5.568   1.00 14.78 ? 112 LEU   A HB3  1 
ATOM   2125 H HG   . LEU   A 1 112 ? -3.043  2.930   3.865   1.00 16.75 ? 112 LEU   A HG   1 
ATOM   2126 H HD11 . LEU   A 1 112 ? -1.372  2.796   5.468   1.00 23.21 ? 112 LEU   A HD11 1 
ATOM   2127 H HD12 . LEU   A 1 112 ? -2.694  3.387   6.119   1.00 23.21 ? 112 LEU   A HD12 1 
ATOM   2128 H HD13 . LEU   A 1 112 ? -2.297  1.869   6.366   1.00 23.21 ? 112 LEU   A HD13 1 
ATOM   2129 H HD21 . LEU   A 1 112 ? -1.516  1.229   3.560   1.00 19.45 ? 112 LEU   A HD21 1 
ATOM   2130 H HD22 . LEU   A 1 112 ? -2.478  0.230   4.333   1.00 19.45 ? 112 LEU   A HD22 1 
ATOM   2131 H HD23 . LEU   A 1 112 ? -2.928  0.849   2.941   1.00 19.45 ? 112 LEU   A HD23 1 
ATOM   2132 N N    . GLY   A 1 113 ? -7.014  -0.015  4.770   1.00 13.38 ? 113 GLY   A N    1 
ATOM   2133 C CA   . GLY   A 1 113 ? -8.321  -0.378  5.266   1.00 16.11 ? 113 GLY   A CA   1 
ATOM   2134 C C    . GLY   A 1 113 ? -9.118  -1.296  4.370   1.00 14.66 ? 113 GLY   A C    1 
ATOM   2135 O O    . GLY   A 1 113 ? -10.335 -1.419  4.565   1.00 16.23 ? 113 GLY   A O    1 
ATOM   2136 H H    . GLY   A 1 113 ? -6.405  -0.606  4.907   1.00 16.06 ? 113 GLY   A H    1 
ATOM   2137 H HA2  . GLY   A 1 113 ? -8.214  -0.823  6.122   1.00 19.33 ? 113 GLY   A HA2  1 
ATOM   2138 H HA3  . GLY   A 1 113 ? -8.840  0.431   5.394   1.00 19.33 ? 113 GLY   A HA3  1 
ATOM   2139 N N    . GLN   A 1 114 ? -8.477  -1.953  3.407   1.00 14.68 ? 114 GLN   A N    1 
ATOM   2140 C CA   . GLN   A 1 114 ? -9.207  -2.843  2.516   1.00 15.53 ? 114 GLN   A CA   1 
ATOM   2141 C C    . GLN   A 1 114 ? -9.849  -3.979  3.304   1.00 21.29 ? 114 GLN   A C    1 
ATOM   2142 O O    . GLN   A 1 114 ? -9.256  -4.523  4.241   1.00 23.09 ? 114 GLN   A O    1 
ATOM   2143 C CB   . GLN   A 1 114 ? -8.266  -3.418  1.457   1.00 16.28 ? 114 GLN   A CB   1 
ATOM   2144 C CG   . GLN   A 1 114 ? -7.629  -2.357  0.570   1.00 13.91 ? 114 GLN   A CG   1 
ATOM   2145 C CD   . GLN   A 1 114 ? -8.638  -1.634  -0.307  1.00 12.41 ? 114 GLN   A CD   1 
ATOM   2146 O OE1  . GLN   A 1 114 ? -9.635  -2.215  -0.744  1.00 15.81 ? 114 GLN   A OE1  1 
ATOM   2147 N NE2  . GLN   A 1 114 ? -8.382  -0.363  -0.577  1.00 9.54  ? 114 GLN   A NE2  1 
ATOM   2148 H H    . GLN   A 1 114 ? -7.633  -1.901  3.252   1.00 17.62 ? 114 GLN   A H    1 
ATOM   2149 H HA   . GLN   A 1 114 ? -9.907  -2.343  2.068   1.00 18.64 ? 114 GLN   A HA   1 
ATOM   2150 H HB2  . GLN   A 1 114 ? -7.553  -3.902  1.902   1.00 19.54 ? 114 GLN   A HB2  1 
ATOM   2151 H HB3  . GLN   A 1 114 ? -8.769  -4.020  0.886   1.00 19.54 ? 114 GLN   A HB3  1 
ATOM   2152 H HG2  . GLN   A 1 114 ? -7.194  -1.697  1.132   1.00 16.69 ? 114 GLN   A HG2  1 
ATOM   2153 H HG3  . GLN   A 1 114 ? -6.978  -2.780  -0.010  1.00 16.69 ? 114 GLN   A HG3  1 
ATOM   2154 H HE21 . GLN   A 1 114 ? -7.675  0.009   -0.260  1.00 11.45 ? 114 GLN   A HE21 1 
ATOM   2155 H HE22 . GLN   A 1 114 ? -8.923  0.089   -1.069  1.00 11.45 ? 114 GLN   A HE22 1 
ATOM   2156 N N    . GLY   A 1 115 ? -11.085 -4.311  2.924   1.00 24.11 ? 115 GLY   A N    1 
ATOM   2157 C CA   . GLY   A 1 115 ? -11.809 -5.457  3.447   1.00 27.94 ? 115 GLY   A CA   1 
ATOM   2158 C C    . GLY   A 1 115 ? -12.201 -5.339  4.906   1.00 33.80 ? 115 GLY   A C    1 
ATOM   2159 O O    . GLY   A 1 115 ? -12.274 -4.240  5.463   1.00 36.10 ? 115 GLY   A O    1 
ATOM   2160 H H    . GLY   A 1 115 ? -11.537 -3.868  2.343   1.00 28.93 ? 115 GLY   A H    1 
ATOM   2161 H HA2  . GLY   A 1 115 ? -12.621 -5.575  2.930   1.00 33.53 ? 115 GLY   A HA2  1 
ATOM   2162 H HA3  . GLY   A 1 115 ? -11.255 -6.247  3.350   1.00 33.53 ? 115 GLY   A HA3  1 
ATOM   2163 N N    . GLY   A 1 128 ? -26.451 -2.482  -14.626 1.00 31.51 ? 128 GLY   A N    1 
ATOM   2164 C CA   . GLY   A 1 128 ? -25.281 -2.367  -15.472 1.00 26.66 ? 128 GLY   A CA   1 
ATOM   2165 C C    . GLY   A 1 128 ? -25.080 -0.985  -16.075 1.00 21.36 ? 128 GLY   A C    1 
ATOM   2166 O O    . GLY   A 1 128 ? -25.954 -0.114  -16.033 1.00 24.06 ? 128 GLY   A O    1 
ATOM   2167 H HA2  . GLY   A 1 128 ? -24.493 -2.581  -14.949 1.00 31.99 ? 128 GLY   A HA2  1 
ATOM   2168 H HA3  . GLY   A 1 128 ? -25.358 -3.002  -16.202 1.00 31.99 ? 128 GLY   A HA3  1 
ATOM   2169 N N    . SER   A 1 129 ? -23.907 -0.768  -16.646 1.00 18.22 ? 129 SER   A N    1 
ATOM   2170 C CA   . SER   A 1 129 ? -23.619 0.516   -17.258 1.00 11.97 ? 129 SER   A CA   1 
ATOM   2171 C C    . SER   A 1 129 ? -24.422 0.697   -18.530 1.00 9.30  ? 129 SER   A C    1 
ATOM   2172 O O    . SER   A 1 129 ? -24.474 -0.200  -19.379 1.00 9.70  ? 129 SER   A O    1 
ATOM   2173 C CB   . SER   A 1 129 ? -22.149 0.577   -17.618 1.00 15.76 ? 129 SER   A CB   1 
ATOM   2174 O OG   . SER   A 1 129 ? -21.796 1.833   -18.152 1.00 16.78 ? 129 SER   A OG   1 
ATOM   2175 H H    . SER   A 1 129 ? -23.268 -1.342  -16.692 1.00 21.86 ? 129 SER   A H    1 
ATOM   2176 H HA   . SER   A 1 129 ? -23.849 1.221   -16.633 1.00 14.37 ? 129 SER   A HA   1 
ATOM   2177 H HB2  . SER   A 1 129 ? -21.625 0.419   -16.817 1.00 18.91 ? 129 SER   A HB2  1 
ATOM   2178 H HB3  . SER   A 1 129 ? -21.961 -0.108  -18.278 1.00 18.91 ? 129 SER   A HB3  1 
ATOM   2179 H HG   . SER   A 1 129 ? -20.974 1.853   -18.321 1.00 20.14 ? 129 SER   A HG   1 
ATOM   2180 N N    . GLN   A 1 130 ? -25.049 1.867   -18.663 1.00 8.77  ? 130 GLN   A N    1 
ATOM   2181 C CA   . GLN   A 1 130 ? -25.776 2.168   -19.881 1.00 7.54  ? 130 GLN   A CA   1 
ATOM   2182 C C    . GLN   A 1 130 ? -24.855 2.105   -21.095 1.00 5.91  ? 130 GLN   A C    1 
ATOM   2183 O O    . GLN   A 1 130 ? -25.150 1.430   -22.082 1.00 6.55  ? 130 GLN   A O    1 
ATOM   2184 C CB   . GLN   A 1 130 ? -26.431 3.541   -19.777 1.00 8.13  ? 130 GLN   A CB   1 
ATOM   2185 C CG   . GLN   A 1 130 ? -27.114 3.978   -21.043 1.00 7.17  ? 130 GLN   A CG   1 
ATOM   2186 C CD   . GLN   A 1 130 ? -28.214 3.078   -21.425 1.00 7.72  ? 130 GLN   A CD   1 
ATOM   2187 O OE1  . GLN   A 1 130 ? -29.025 2.687   -20.579 1.00 11.76 ? 130 GLN   A OE1  1 
ATOM   2188 N NE2  . GLN   A 1 130 ? -28.268 2.734   -22.694 1.00 8.85  ? 130 GLN   A NE2  1 
ATOM   2189 H H    . GLN   A 1 130 ? -25.065 2.489   -18.070 1.00 10.53 ? 130 GLN   A H    1 
ATOM   2190 H HA   . GLN   A 1 130 ? -26.478 1.509   -19.997 1.00 9.04  ? 130 GLN   A HA   1 
ATOM   2191 H HB2  . GLN   A 1 130 ? -27.098 3.516   -19.073 1.00 9.76  ? 130 GLN   A HB2  1 
ATOM   2192 H HB3  . GLN   A 1 130 ? -25.750 4.198   -19.565 1.00 9.76  ? 130 GLN   A HB3  1 
ATOM   2193 H HG2  . GLN   A 1 130 ? -27.482 4.866   -20.915 1.00 8.61  ? 130 GLN   A HG2  1 
ATOM   2194 H HG3  . GLN   A 1 130 ? -26.468 3.988   -21.766 1.00 8.61  ? 130 GLN   A HG3  1 
ATOM   2195 H HE21 . GLN   A 1 130 ? -27.680 3.034   -23.246 1.00 10.62 ? 130 GLN   A HE21 1 
ATOM   2196 H HE22 . GLN   A 1 130 ? -28.890 2.210   -22.972 1.00 10.62 ? 130 GLN   A HE22 1 
ATOM   2197 N N    . VAL   A 1 131 ? -23.732 2.826   -21.047 1.00 6.28  ? 131 VAL   A N    1 
ATOM   2198 C CA   . VAL   A 1 131 ? -22.742 2.820   -22.120 1.00 5.73  ? 131 VAL   A CA   1 
ATOM   2199 C C    . VAL   A 1 131 ? -21.830 1.626   -21.930 1.00 5.91  ? 131 VAL   A C    1 
ATOM   2200 O O    . VAL   A 1 131 ? -21.256 1.439   -20.849 1.00 6.67  ? 131 VAL   A O    1 
ATOM   2201 C CB   . VAL   A 1 131 ? -21.916 4.110   -22.079 1.00 6.21  ? 131 VAL   A CB   1 
ATOM   2202 C CG1  . VAL   A 1 131 ? -20.777 4.029   -23.080 1.00 7.17  ? 131 VAL   A CG1  1 
ATOM   2203 C CG2  . VAL   A 1 131 ? -22.780 5.312   -22.325 1.00 7.74  ? 131 VAL   A CG2  1 
ATOM   2204 H H    . VAL   A 1 131 ? -23.518 3.336   -20.388 1.00 7.54  ? 131 VAL   A H    1 
ATOM   2205 H HA   . VAL   A 1 131 ? -23.194 2.750   -22.975 1.00 6.88  ? 131 VAL   A HA   1 
ATOM   2206 H HB   . VAL   A 1 131 ? -21.533 4.214   -21.194 1.00 7.45  ? 131 VAL   A HB   1 
ATOM   2207 H HG11 . VAL   A 1 131 ? -20.338 4.892   -23.130 1.00 8.60  ? 131 VAL   A HG11 1 
ATOM   2208 H HG12 . VAL   A 1 131 ? -20.145 3.354   -22.787 1.00 8.60  ? 131 VAL   A HG12 1 
ATOM   2209 H HG13 . VAL   A 1 131 ? -21.136 3.790   -23.949 1.00 8.60  ? 131 VAL   A HG13 1 
ATOM   2210 H HG21 . VAL   A 1 131 ? -22.244 6.113   -22.214 1.00 9.29  ? 131 VAL   A HG21 1 
ATOM   2211 H HG22 . VAL   A 1 131 ? -23.130 5.270   -23.228 1.00 9.29  ? 131 VAL   A HG22 1 
ATOM   2212 H HG23 . VAL   A 1 131 ? -23.510 5.311   -21.687 1.00 9.29  ? 131 VAL   A HG23 1 
ATOM   2213 N N    . GLN   A 1 132 ? -21.678 0.826   -22.983 1.00 5.00  ? 132 GLN   A N    1 
ATOM   2214 C CA   . GLN   A 1 132 ? -20.751 -0.282  -22.977 1.00 5.68  ? 132 GLN   A CA   1 
ATOM   2215 C C    . GLN   A 1 132 ? -19.963 -0.297  -24.278 1.00 5.56  ? 132 GLN   A C    1 
ATOM   2216 O O    . GLN   A 1 132 ? -20.516 -0.111  -25.361 1.00 8.14  ? 132 GLN   A O    1 
ATOM   2217 C CB   . GLN   A 1 132 ? -21.402 -1.635  -22.776 1.00 7.69  ? 132 GLN   A CB   1 
ATOM   2218 C CG   . GLN   A 1 132 ? -22.141 -1.734  -21.477 1.00 9.75  ? 132 GLN   A CG   1 
ATOM   2219 C CD   . GLN   A 1 132 ? -22.794 -3.055  -21.260 1.00 13.21 ? 132 GLN   A CD   1 
ATOM   2220 O OE1  . GLN   A 1 132 ? -22.629 -3.995  -22.037 1.00 15.39 ? 132 GLN   A OE1  1 
ATOM   2221 N NE2  . GLN   A 1 132 ? -23.591 -3.126  -20.212 1.00 13.74 ? 132 GLN   A NE2  1 
ATOM   2222 H H    . GLN   A 1 132 ? -22.112 0.913   -23.721 1.00 6.00  ? 132 GLN   A H    1 
ATOM   2223 H HA   . GLN   A 1 132 ? -20.147 -0.146  -22.230 1.00 6.82  ? 132 GLN   A HA   1 
ATOM   2224 H HB2  . GLN   A 1 132 ? -22.034 -1.792  -23.494 1.00 9.23  ? 132 GLN   A HB2  1 
ATOM   2225 H HB3  . GLN   A 1 132 ? -20.715 -2.320  -22.783 1.00 9.23  ? 132 GLN   A HB3  1 
ATOM   2226 H HG2  . GLN   A 1 132 ? -21.516 -1.590  -20.750 1.00 11.70 ? 132 GLN   A HG2  1 
ATOM   2227 H HG3  . GLN   A 1 132 ? -22.834 -1.055  -21.459 1.00 11.70 ? 132 GLN   A HG3  1 
ATOM   2228 H HE21 . GLN   A 1 132 ? -23.704 -2.436  -19.711 1.00 16.49 ? 132 GLN   A HE21 1 
ATOM   2229 H HE22 . GLN   A 1 132 ? -23.999 -3.860  -20.031 1.00 16.49 ? 132 GLN   A HE22 1 
ATOM   2230 N N    . LEU   A 1 133 ? -18.669 -0.531  -24.155 1.00 4.97  ? 133 LEU   A N    1 
ATOM   2231 C CA   . LEU   A 1 133 ? -17.786 -0.748  -25.299 1.00 4.76  ? 133 LEU   A CA   1 
ATOM   2232 C C    . LEU   A 1 133 ? -17.354 -2.203  -25.171 1.00 4.80  ? 133 LEU   A C    1 
ATOM   2233 O O    . LEU   A 1 133 ? -16.777 -2.591  -24.144 1.00 6.27  ? 133 LEU   A O    1 
ATOM   2234 C CB   . LEU   A 1 133 ? -16.587 0.194   -25.278 1.00 4.82  ? 133 LEU   A CB   1 
ATOM   2235 C CG   . LEU   A 1 133 ? -16.861 1.606   -25.794 1.00 5.54  ? 133 LEU   A CG   1 
ATOM   2236 C CD1  . LEU   A 1 133 ? -17.913 2.382   -25.065 1.00 7.85  ? 133 LEU   A CD1  1 
ATOM   2237 C CD2  . LEU   A 1 133 ? -15.559 2.419   -25.780 1.00 6.62  ? 133 LEU   A CD2  1 
ATOM   2238 H H    . LEU   A 1 133 ? -18.262 -0.571  -23.398 1.00 5.96  ? 133 LEU   A H    1 
ATOM   2239 H HA   . LEU   A 1 133 ? -18.236 -0.587  -26.144 1.00 5.71  ? 133 LEU   A HA   1 
ATOM   2240 H HB2  . LEU   A 1 133 ? -16.277 0.274   -24.362 1.00 5.79  ? 133 LEU   A HB2  1 
ATOM   2241 H HB3  . LEU   A 1 133 ? -15.888 -0.188  -25.832 1.00 5.79  ? 133 LEU   A HB3  1 
ATOM   2242 H HG   . LEU   A 1 133 ? -17.212 1.483   -26.690 1.00 6.65  ? 133 LEU   A HG   1 
ATOM   2243 H HD11 . LEU   A 1 133 ? -17.978 3.269   -25.454 1.00 9.42  ? 133 LEU   A HD11 1 
ATOM   2244 H HD12 . LEU   A 1 133 ? -18.762 1.921   -25.151 1.00 9.42  ? 133 LEU   A HD12 1 
ATOM   2245 H HD13 . LEU   A 1 133 ? -17.666 2.449   -24.130 1.00 9.42  ? 133 LEU   A HD13 1 
ATOM   2246 H HD21 . LEU   A 1 133 ? -15.702 3.254   -26.253 1.00 7.94  ? 133 LEU   A HD21 1 
ATOM   2247 H HD22 . LEU   A 1 133 ? -15.308 2.599   -24.860 1.00 7.94  ? 133 LEU   A HD22 1 
ATOM   2248 H HD23 . LEU   A 1 133 ? -14.862 1.907   -26.219 1.00 7.94  ? 133 LEU   A HD23 1 
ATOM   2249 N N    . GLN   A 1 134 ? -17.646 -3.006  -26.190 1.00 4.79  ? 134 GLN   A N    1 
ATOM   2250 C CA   . GLN   A 1 134 ? -17.544 -4.462  -26.115 1.00 4.78  ? 134 GLN   A CA   1 
ATOM   2251 C C    . GLN   A 1 134 ? -16.391 -4.962  -26.970 1.00 4.68  ? 134 GLN   A C    1 
ATOM   2252 O O    . GLN   A 1 134 ? -16.433 -4.858  -28.198 1.00 5.09  ? 134 GLN   A O    1 
ATOM   2253 C CB   . GLN   A 1 134 ? -18.860 -5.073  -26.571 1.00 6.66  ? 134 GLN   A CB   1 
ATOM   2254 C CG   . GLN   A 1 134 ? -20.027 -4.443  -25.837 1.00 10.41 ? 134 GLN   A CG   1 
ATOM   2255 C CD   . GLN   A 1 134 ? -21.344 -5.020  -26.174 1.00 13.70 ? 134 GLN   A CD   1 
ATOM   2256 O OE1  . GLN   A 1 134 ? -21.526 -5.485  -27.294 1.00 16.27 ? 134 GLN   A OE1  1 
ATOM   2257 N NE2  . GLN   A 1 134 ? -22.318 -4.932  -25.237 1.00 14.86 ? 134 GLN   A NE2  1 
ATOM   2258 H H    . GLN   A 1 134 ? -17.914 -2.723  -26.957 1.00 5.75  ? 134 GLN   A H    1 
ATOM   2259 H HA   . GLN   A 1 134 ? -17.343 -4.720  -25.202 1.00 5.74  ? 134 GLN   A HA   1 
ATOM   2260 H HB2  . GLN   A 1 134 ? -18.975 -4.920  -27.522 1.00 7.99  ? 134 GLN   A HB2  1 
ATOM   2261 H HB3  . GLN   A 1 134 ? -18.855 -6.025  -26.385 1.00 7.99  ? 134 GLN   A HB3  1 
ATOM   2262 H HG2  . GLN   A 1 134 ? -19.892 -4.560  -24.883 1.00 12.49 ? 134 GLN   A HG2  1 
ATOM   2263 H HG3  . GLN   A 1 134 ? -20.056 -3.499  -26.055 1.00 12.49 ? 134 GLN   A HG3  1 
ATOM   2264 H HE21 . GLN   A 1 134 ? -22.155 -4.552  -24.482 1.00 17.84 ? 134 GLN   A HE21 1 
ATOM   2265 H HE22 . GLN   A 1 134 ? -23.098 -5.256  -25.396 1.00 17.84 ? 134 GLN   A HE22 1 
ATOM   2266 N N    . GLN   A 1 135 ? -15.378 -5.517  -26.315 1.00 4.85  ? 135 GLN   A N    1 
ATOM   2267 C CA   . GLN   A 1 135 ? -14.182 -6.048  -26.949 1.00 4.41  ? 135 GLN   A CA   1 
ATOM   2268 C C    . GLN   A 1 135 ? -14.031 -7.516  -26.596 1.00 4.96  ? 135 GLN   A C    1 
ATOM   2269 O O    . GLN   A 1 135 ? -14.341 -7.923  -25.471 1.00 5.81  ? 135 GLN   A O    1 
ATOM   2270 C CB   . GLN   A 1 135 ? -12.921 -5.325  -26.448 1.00 4.89  ? 135 GLN   A CB   1 
ATOM   2271 C CG   . GLN   A 1 135 ? -12.861 -3.882  -26.810 1.00 4.16  ? 135 GLN   A CG   1 
ATOM   2272 C CD   . GLN   A 1 135 ? -11.541 -3.290  -26.346 1.00 4.25  ? 135 GLN   A CD   1 
ATOM   2273 O OE1  . GLN   A 1 135 ? -11.429 -2.742  -25.242 1.00 4.75  ? 135 GLN   A OE1  1 
ATOM   2274 N NE2  . GLN   A 1 135 ? -10.518 -3.413  -27.165 1.00 5.16  ? 135 GLN   A NE2  1 
ATOM   2275 H H    . GLN   A 1 135 ? -15.360 -5.600  -25.460 1.00 5.82  ? 135 GLN   A H    1 
ATOM   2276 H HA   . GLN   A 1 135 ? -14.253 -5.938  -27.910 1.00 5.29  ? 135 GLN   A HA   1 
ATOM   2277 H HB2  . GLN   A 1 135 ? -12.892 -5.387  -25.480 1.00 5.87  ? 135 GLN   A HB2  1 
ATOM   2278 H HB3  . GLN   A 1 135 ? -12.142 -5.757  -26.831 1.00 5.87  ? 135 GLN   A HB3  1 
ATOM   2279 H HG2  . GLN   A 1 135 ? -12.926 -3.783  -27.772 1.00 4.99  ? 135 GLN   A HG2  1 
ATOM   2280 H HG3  . GLN   A 1 135 ? -13.586 -3.405  -26.377 1.00 4.99  ? 135 GLN   A HG3  1 
ATOM   2281 H HE21 . GLN   A 1 135 ? -10.616 -3.814  -27.920 1.00 6.20  ? 135 GLN   A HE21 1 
ATOM   2282 H HE22 . GLN   A 1 135 ? -9.750  -3.093  -26.945 1.00 6.20  ? 135 GLN   A HE22 1 
ATOM   2283 N N    . PRO   A 1 136 ? -13.501 -8.326  -27.511 1.00 5.63  ? 136 PRO   A N    1 
ATOM   2284 C CA   . PRO   A 1 136 ? -13.163 -9.710  -27.159 1.00 6.25  ? 136 PRO   A CA   1 
ATOM   2285 C C    . PRO   A 1 136 ? -12.093 -9.768  -26.085 1.00 6.02  ? 136 PRO   A C    1 
ATOM   2286 O O    . PRO   A 1 136 ? -11.249 -8.895  -25.974 1.00 6.21  ? 136 PRO   A O    1 
ATOM   2287 C CB   . PRO   A 1 136 ? -12.657 -10.314 -28.477 1.00 8.34  ? 136 PRO   A CB   1 
ATOM   2288 C CG   . PRO   A 1 136 ? -13.012 -9.361  -29.533 1.00 14.00 ? 136 PRO   A CG   1 
ATOM   2289 C CD   . PRO   A 1 136 ? -13.171 -8.022  -28.918 1.00 7.37  ? 136 PRO   A CD   1 
ATOM   2290 H HA   . PRO   A 1 136 ? -13.955 -10.184 -26.862 1.00 7.50  ? 136 PRO   A HA   1 
ATOM   2291 H HB2  . PRO   A 1 136 ? -11.695 -10.432 -28.432 1.00 10.01 ? 136 PRO   A HB2  1 
ATOM   2292 H HB3  . PRO   A 1 136 ? -13.089 -11.169 -28.629 1.00 10.01 ? 136 PRO   A HB3  1 
ATOM   2293 H HG2  . PRO   A 1 136 ? -12.303 -9.343  -30.195 1.00 16.81 ? 136 PRO   A HG2  1 
ATOM   2294 H HG3  . PRO   A 1 136 ? -13.844 -9.640  -29.946 1.00 16.81 ? 136 PRO   A HG3  1 
ATOM   2295 H HD2  . PRO   A 1 136 ? -12.345 -7.516  -28.976 1.00 8.85  ? 136 PRO   A HD2  1 
ATOM   2296 H HD3  . PRO   A 1 136 ? -13.891 -7.530  -29.342 1.00 8.85  ? 136 PRO   A HD3  1 
ATOM   2297 N N    . GLY   A 1 137 ? -12.087 -10.849 -25.320 1.00 5.76  ? 137 GLY   A N    1 
ATOM   2298 C CA   . GLY   A 1 137 ? -11.117 -10.957 -24.245 1.00 7.20  ? 137 GLY   A CA   1 
ATOM   2299 C C    . GLY   A 1 137 ? -9.683  -11.121 -24.712 1.00 5.22  ? 137 GLY   A C    1 
ATOM   2300 O O    . GLY   A 1 137 ? -8.781  -10.553 -24.116 1.00 5.94  ? 137 GLY   A O    1 
ATOM   2301 H H    . GLY   A 1 137 ? -12.622 -11.518 -25.399 1.00 6.91  ? 137 GLY   A H    1 
ATOM   2302 H HA2  . GLY   A 1 137 ? -11.162 -10.156 -23.700 1.00 8.63  ? 137 GLY   A HA2  1 
ATOM   2303 H HA3  . GLY   A 1 137 ? -11.340 -11.725 -23.697 1.00 8.63  ? 137 GLY   A HA3  1 
ATOM   2304 N N    . ALA   A 1 138 ? -9.454  -11.922 -25.749 1.00 5.46  ? 138 ALA   A N    1 
ATOM   2305 C CA   . ALA   A 1 138 ? -8.083  -12.253 -26.124 1.00 5.77  ? 138 ALA   A CA   1 
ATOM   2306 C C    . ALA   A 1 138 ? -8.005  -12.665 -27.584 1.00 6.17  ? 138 ALA   A C    1 
ATOM   2307 O O    . ALA   A 1 138 ? -8.963  -13.188 -28.165 1.00 7.53  ? 138 ALA   A O    1 
ATOM   2308 C CB   . ALA   A 1 138 ? -7.553  -13.391 -25.266 1.00 7.21  ? 138 ALA   A CB   1 
ATOM   2309 H H    . ALA   A 1 138 ? -10.063 -12.278 -26.240 1.00 6.55  ? 138 ALA   A H    1 
ATOM   2310 H HA   . ALA   A 1 138 ? -7.539  -11.458 -26.011 1.00 6.93  ? 138 ALA   A HA   1 
ATOM   2311 H HB1  . ALA   A 1 138 ? -6.653  -13.610 -25.552 1.00 8.65  ? 138 ALA   A HB1  1 
ATOM   2312 H HB2  . ALA   A 1 138 ? -7.546  -13.110 -24.337 1.00 8.65  ? 138 ALA   A HB2  1 
ATOM   2313 H HB3  . ALA   A 1 138 ? -8.132  -14.163 -25.373 1.00 8.65  ? 138 ALA   A HB3  1 
ATOM   2314 N N    . GLU   A 1 139 ? -6.840  -12.426 -28.163 1.00 5.85  ? 139 GLU   A N    1 
ATOM   2315 C CA   . GLU   A 1 139 ? -6.504  -12.882 -29.491 1.00 6.19  ? 139 GLU   A CA   1 
ATOM   2316 C C    . GLU   A 1 139 ? -5.055  -13.344 -29.477 1.00 5.80  ? 139 GLU   A C    1 
ATOM   2317 O O    . GLU   A 1 139 ? -4.255  -12.915 -28.651 1.00 6.13  ? 139 GLU   A O    1 
ATOM   2318 C CB   . GLU   A 1 139 ? -6.643  -11.748 -30.508 1.00 8.20  ? 139 GLU   A CB   1 
ATOM   2319 C CG   . GLU   A 1 139 ? -8.027  -11.175 -30.748 1.00 10.74 ? 139 GLU   A CG   1 
ATOM   2320 C CD   . GLU   A 1 139 ? -9.128  -12.099 -31.147 1.00 12.41 ? 139 GLU   A CD   1 
ATOM   2321 O OE1  . GLU   A 1 139 ? -8.861  -13.237 -31.570 1.00 12.97 ? 139 GLU   A OE1  1 
ATOM   2322 O OE2  . GLU   A 1 139 ? -10.304 -11.650 -31.050 1.00 14.31 ? 139 GLU   A OE2  1 
ATOM   2323 H H    . GLU   A 1 139 ? -6.204  -11.984 -27.788 1.00 7.02  ? 139 GLU   A H    1 
ATOM   2324 H HA   . GLU   A 1 139 ? -7.082  -13.617 -29.748 1.00 7.43  ? 139 GLU   A HA   1 
ATOM   2325 H HB2  . GLU   A 1 139 ? -6.087  -11.012 -30.209 1.00 9.83  ? 139 GLU   A HB2  1 
ATOM   2326 H HB3  . GLU   A 1 139 ? -6.326  -12.078 -31.363 1.00 9.83  ? 139 GLU   A HB3  1 
ATOM   2327 H HG2  . GLU   A 1 139 ? -8.313  -10.748 -29.925 1.00 12.89 ? 139 GLU   A HG2  1 
ATOM   2328 H HG3  . GLU   A 1 139 ? -7.952  -10.517 -31.455 1.00 12.89 ? 139 GLU   A HG3  1 
ATOM   2329 N N    . LEU   A 1 140 ? -4.710  -14.186 -30.434 1.00 7.67  ? 140 LEU   A N    1 
ATOM   2330 C CA   . LEU   A 1 140 ? -3.344  -14.651 -30.587 1.00 7.94  ? 140 LEU   A CA   1 
ATOM   2331 C C    . LEU   A 1 140 ? -3.008  -14.672 -32.067 1.00 7.55  ? 140 LEU   A C    1 
ATOM   2332 O O    . LEU   A 1 140 ? -3.834  -15.083 -32.880 1.00 10.73 ? 140 LEU   A O    1 
ATOM   2333 C CB   . LEU   A 1 140 ? -3.212  -16.003 -29.931 1.00 12.38 ? 140 LEU   A CB   1 
ATOM   2334 C CG   . LEU   A 1 140 ? -1.755  -16.464 -29.790 1.00 15.12 ? 140 LEU   A CG   1 
ATOM   2335 C CD1  . LEU   A 1 140 ? -1.645  -17.409 -28.640 1.00 16.51 ? 140 LEU   A CD1  1 
ATOM   2336 C CD2  . LEU   A 1 140 ? -1.280  -17.162 -31.043 1.00 15.71 ? 140 LEU   A CD2  1 
ATOM   2337 H H    . LEU   A 1 140 ? -5.256  -14.507 -31.015 1.00 9.21  ? 140 LEU   A H    1 
ATOM   2338 H HA   . LEU   A 1 140 ? -2.694  -14.059 -30.176 1.00 9.53  ? 140 LEU   A HA   1 
ATOM   2339 H HB2  . LEU   A 1 140 ? -3.600  -15.960 -29.043 1.00 14.85 ? 140 LEU   A HB2  1 
ATOM   2340 H HB3  . LEU   A 1 140 ? -3.683  -16.659 -30.467 1.00 14.85 ? 140 LEU   A HB3  1 
ATOM   2341 H HG   . LEU   A 1 140 ? -1.195  -15.687 -29.641 1.00 18.15 ? 140 LEU   A HG   1 
ATOM   2342 H HD11 . LEU   A 1 140 ? -0.722  -17.696 -28.554 1.00 19.81 ? 140 LEU   A HD11 1 
ATOM   2343 H HD12 . LEU   A 1 140 ? -1.927  -16.956 -27.830 1.00 19.81 ? 140 LEU   A HD12 1 
ATOM   2344 H HD13 . LEU   A 1 140 ? -2.216  -18.176 -28.806 1.00 19.81 ? 140 LEU   A HD13 1 
ATOM   2345 H HD21 . LEU   A 1 140 ? -0.369  -17.467 -30.909 1.00 18.85 ? 140 LEU   A HD21 1 
ATOM   2346 H HD22 . LEU   A 1 140 ? -1.860  -17.919 -31.222 1.00 18.85 ? 140 LEU   A HD22 1 
ATOM   2347 H HD23 . LEU   A 1 140 ? -1.313  -16.537 -31.785 1.00 18.85 ? 140 LEU   A HD23 1 
ATOM   2348 N N    A ALA   A 1 141 ? -1.815  -14.215 -32.439 0.37 4.43  ? 141 ALA   A N    1 
ATOM   2349 N N    B ALA   A 1 141 ? -1.788  -14.262 -32.396 0.63 8.32  ? 141 ALA   A N    1 
ATOM   2350 C CA   A ALA   A 1 141 ? -1.418  -14.238 -33.844 0.37 4.72  ? 141 ALA   A CA   1 
ATOM   2351 C CA   B ALA   A 1 141 ? -1.346  -14.135 -33.773 0.63 8.34  ? 141 ALA   A CA   1 
ATOM   2352 C C    A ALA   A 1 141 ? 0.098   -14.339 -33.935 0.37 3.59  ? 141 ALA   A C    1 
ATOM   2353 C C    B ALA   A 1 141 ? 0.116   -14.535 -33.841 0.63 8.18  ? 141 ALA   A C    1 
ATOM   2354 O O    A ALA   A 1 141 ? 0.806   -14.133 -32.960 0.37 3.31  ? 141 ALA   A O    1 
ATOM   2355 O O    B ALA   A 1 141 ? 0.824   -14.514 -32.839 0.63 9.56  ? 141 ALA   A O    1 
ATOM   2356 C CB   A ALA   A 1 141 ? -1.952  -13.024 -34.618 0.37 5.12  ? 141 ALA   A CB   1 
ATOM   2357 C CB   B ALA   A 1 141 ? -1.496  -12.694 -34.259 0.63 11.11 ? 141 ALA   A CB   1 
ATOM   2358 H H    A ALA   A 1 141 ? -1.226  -13.890 -31.904 0.37 5.32  ? 141 ALA   A H    1 
ATOM   2359 H H    B ALA   A 1 141 ? -1.184  -14.047 -31.823 0.63 9.99  ? 141 ALA   A H    1 
ATOM   2360 H HA   A ALA   A 1 141 ? -1.792  -15.032 -34.257 0.37 5.66  ? 141 ALA   A HA   1 
ATOM   2361 H HA   B ALA   A 1 141 ? -1.865  -14.720 -34.347 0.63 10.00 ? 141 ALA   A HA   1 
ATOM   2362 H HB1  A ALA   A 1 141 ? -1.630  -13.066 -35.532 0.37 6.15  ? 141 ALA   A HB1  1 
ATOM   2363 H HB1  B ALA   A 1 141 ? -1.226  -12.645 -35.190 0.63 13.34 ? 141 ALA   A HB1  1 
ATOM   2364 H HB2  A ALA   A 1 141 ? -2.922  -13.045 -34.608 0.37 6.15  ? 141 ALA   A HB2  1 
ATOM   2365 H HB2  B ALA   A 1 141 ? -2.423  -12.425 -34.169 0.63 13.34 ? 141 ALA   A HB2  1 
ATOM   2366 H HB3  A ALA   A 1 141 ? -1.635  -12.213 -34.192 0.37 6.15  ? 141 ALA   A HB3  1 
ATOM   2367 H HB3  B ALA   A 1 141 ? -0.930  -12.119 -33.720 0.63 13.34 ? 141 ALA   A HB3  1 
ATOM   2368 N N    A LYS   A 1 142 ? 0.593   -14.626 -35.154 0.37 4.05  ? 142 LYS   A N    1 
ATOM   2369 N N    B LYS   A 1 142 ? 0.561   -14.915 -35.033 0.63 8.46  ? 142 LYS   A N    1 
ATOM   2370 C CA   A LYS   A 1 142 ? 1.974   -15.011 -35.420 0.37 4.18  ? 142 LYS   A CA   1 
ATOM   2371 C CA   B LYS   A 1 142 ? 1.971   -15.227 -35.195 0.63 8.74  ? 142 LYS   A CA   1 
ATOM   2372 C C    A LYS   A 1 142 ? 2.883   -13.809 -35.690 0.37 3.44  ? 142 LYS   A C    1 
ATOM   2373 C C    B LYS   A 1 142 ? 2.755   -13.994 -35.613 0.63 7.30  ? 142 LYS   A C    1 
ATOM   2374 O O    A LYS   A 1 142 ? 2.456   -12.812 -36.281 0.37 3.01  ? 142 LYS   A O    1 
ATOM   2375 O O    B LYS   A 1 142 ? 2.221   -13.071 -36.233 0.63 7.10  ? 142 LYS   A O    1 
ATOM   2376 C CB   A LYS   A 1 142 ? 2.024   -15.913 -36.657 0.37 5.85  ? 142 LYS   A CB   1 
ATOM   2377 C CB   B LYS   A 1 142 ? 2.169   -16.344 -36.235 0.63 10.19 ? 142 LYS   A CB   1 
ATOM   2378 C CG   A LYS   A 1 142 ? 1.387   -17.272 -36.447 0.37 6.13  ? 142 LYS   A CG   1 
ATOM   2379 C CG   B LYS   A 1 142 ? 2.053   -15.915 -37.701 0.63 9.88  ? 142 LYS   A CG   1 
ATOM   2380 C CD   A LYS   A 1 142 ? 0.862   -17.859 -37.739 0.37 7.00  ? 142 LYS   A CD   1 
ATOM   2381 C CD   B LYS   A 1 142 ? 2.272   -17.064 -38.718 0.63 10.08 ? 142 LYS   A CD   1 
ATOM   2382 C CE   A LYS   A 1 142 ? 1.942   -17.831 -38.826 0.37 5.26  ? 142 LYS   A CE   1 
ATOM   2383 C CE   B LYS   A 1 142 ? 1.219   -18.159 -38.599 0.63 8.70  ? 142 LYS   A CE   1 
ATOM   2384 N NZ   A LYS   A 1 142 ? 1.509   -18.629 -39.987 0.37 4.74  ? 142 LYS   A NZ   1 
ATOM   2385 N NZ   B LYS   A 1 142 ? 1.319   -19.119 -39.716 0.63 10.83 ? 142 LYS   A NZ   1 
ATOM   2386 H H    A LYS   A 1 142 ? 0.121   -14.602 -35.872 0.37 4.85  ? 142 LYS   A H    1 
ATOM   2387 H H    B LYS   A 1 142 ? 0.079   -14.996 -35.741 0.63 10.16 ? 142 LYS   A H    1 
ATOM   2388 H HA   A LYS   A 1 142 ? 2.316   -15.472 -34.638 0.37 5.02  ? 142 LYS   A HA   1 
ATOM   2389 H HA   B LYS   A 1 142 ? 2.321   -15.542 -34.347 0.63 10.49 ? 142 LYS   A HA   1 
ATOM   2390 H HB2  A LYS   A 1 142 ? 1.553   -15.474 -37.382 0.37 7.01  ? 142 LYS   A HB2  1 
ATOM   2391 H HB2  B LYS   A 1 142 ? 3.055   -16.719 -36.115 0.63 12.22 ? 142 LYS   A HB2  1 
ATOM   2392 H HB3  A LYS   A 1 142 ? 2.952   -16.056 -36.901 0.37 7.01  ? 142 LYS   A HB3  1 
ATOM   2393 H HB3  B LYS   A 1 142 ? 1.496   -17.026 -36.081 0.63 12.22 ? 142 LYS   A HB3  1 
ATOM   2394 H HG2  A LYS   A 1 142 ? 2.048   -17.882 -36.085 0.37 7.36  ? 142 LYS   A HG2  1 
ATOM   2395 H HG2  B LYS   A 1 142 ? 1.164   -15.556 -37.850 0.63 11.85 ? 142 LYS   A HG2  1 
ATOM   2396 H HG3  A LYS   A 1 142 ? 0.643   -17.184 -35.831 0.37 7.36  ? 142 LYS   A HG3  1 
ATOM   2397 H HG3  B LYS   A 1 142 ? 2.720   -15.234 -37.879 0.63 11.85 ? 142 LYS   A HG3  1 
ATOM   2398 H HD2  A LYS   A 1 142 ? 0.597   -18.781 -37.592 0.37 8.40  ? 142 LYS   A HD2  1 
ATOM   2399 H HD2  B LYS   A 1 142 ? 2.230   -16.703 -39.618 0.63 12.10 ? 142 LYS   A HD2  1 
ATOM   2400 H HD3  A LYS   A 1 142 ? 0.102   -17.341 -38.046 0.37 8.40  ? 142 LYS   A HD3  1 
ATOM   2401 H HD3  B LYS   A 1 142 ? 3.141   -17.465 -38.562 0.63 12.10 ? 142 LYS   A HD3  1 
ATOM   2402 H HE2  A LYS   A 1 142 ? 2.092   -16.917 -39.114 0.37 6.31  ? 142 LYS   A HE2  1 
ATOM   2403 H HE2  B LYS   A 1 142 ? 1.348   -18.641 -37.767 0.63 10.43 ? 142 LYS   A HE2  1 
ATOM   2404 H HE3  A LYS   A 1 142 ? 2.766   -18.208 -38.478 0.37 6.31  ? 142 LYS   A HE3  1 
ATOM   2405 H HE3  B LYS   A 1 142 ? 0.335   -17.759 -38.617 0.63 10.43 ? 142 LYS   A HE3  1 
ATOM   2406 H HZ1  A LYS   A 1 142 ? 2.132   -18.604 -40.622 0.37 5.69  ? 142 LYS   A HZ1  1 
ATOM   2407 H HZ1  B LYS   A 1 142 ? 0.659   -19.713 -39.667 0.63 13.00 ? 142 LYS   A HZ1  1 
ATOM   2408 H HZ2  A LYS   A 1 142 ? 1.378   -19.474 -39.743 0.37 5.69  ? 142 LYS   A HZ2  1 
ATOM   2409 H HZ2  B LYS   A 1 142 ? 1.264   -18.689 -40.493 0.63 13.00 ? 142 LYS   A HZ2  1 
ATOM   2410 H HZ3  A LYS   A 1 142 ? 0.749   -18.301 -40.315 0.37 5.69  ? 142 LYS   A HZ3  1 
ATOM   2411 H HZ3  B LYS   A 1 142 ? 2.098   -19.549 -39.679 0.63 13.00 ? 142 LYS   A HZ3  1 
ATOM   2412 N N    A PRO   A 1 143 ? 4.170   -13.894 -35.332 0.37 3.39  ? 143 PRO   A N    1 
ATOM   2413 N N    B PRO   A 1 143 ? 4.049   -13.973 -35.318 0.63 8.11  ? 143 PRO   A N    1 
ATOM   2414 C CA   A PRO   A 1 143 ? 5.108   -12.845 -35.743 0.37 3.53  ? 143 PRO   A CA   1 
ATOM   2415 C CA   B PRO   A 1 143 ? 4.867   -12.843 -35.742 0.63 7.37  ? 143 PRO   A CA   1 
ATOM   2416 C C    A PRO   A 1 143 ? 5.125   -12.678 -37.251 0.37 2.27  ? 143 PRO   A C    1 
ATOM   2417 C C    B PRO   A 1 143 ? 4.882   -12.727 -37.254 0.63 6.48  ? 143 PRO   A C    1 
ATOM   2418 O O    A PRO   A 1 143 ? 5.315   -13.642 -38.004 0.37 1.91  ? 143 PRO   A O    1 
ATOM   2419 O O    B PRO   A 1 143 ? 4.828   -13.727 -37.980 0.63 5.36  ? 143 PRO   A O    1 
ATOM   2420 C CB   A PRO   A 1 143 ? 6.461   -13.337 -35.222 0.37 5.42  ? 143 PRO   A CB   1 
ATOM   2421 C CB   B PRO   A 1 143 ? 6.255   -13.178 -35.190 0.63 8.93  ? 143 PRO   A CB   1 
ATOM   2422 C CG   A PRO   A 1 143 ? 6.137   -14.245 -34.115 0.37 5.94  ? 143 PRO   A CG   1 
ATOM   2423 C CG   B PRO   A 1 143 ? 6.217   -14.636 -34.923 0.63 9.70  ? 143 PRO   A CG   1 
ATOM   2424 C CD   A PRO   A 1 143 ? 4.820   -14.895 -34.471 0.37 4.67  ? 143 PRO   A CD   1 
ATOM   2425 C CD   B PRO   A 1 143 ? 4.828   -14.989 -34.598 0.63 9.23  ? 143 PRO   A CD   1 
ATOM   2426 H HA   A PRO   A 1 143 ? 4.877   -12.004 -35.318 0.37 4.24  ? 143 PRO   A HA   1 
ATOM   2427 H HA   B PRO   A 1 143 ? 4.555   -12.014 -35.347 0.63 8.85  ? 143 PRO   A HA   1 
ATOM   2428 H HB2  A PRO   A 1 143 ? 6.935   -13.806 -35.927 0.37 6.51  ? 143 PRO   A HB2  1 
ATOM   2429 H HB2  B PRO   A 1 143 ? 6.933   -12.962 -35.848 0.63 10.72 ? 143 PRO   A HB2  1 
ATOM   2430 H HB3  A PRO   A 1 143 ? 6.989   -12.585 -34.911 0.37 6.51  ? 143 PRO   A HB3  1 
ATOM   2431 H HB3  B PRO   A 1 143 ? 6.415   -12.679 -34.373 0.63 10.72 ? 143 PRO   A HB3  1 
ATOM   2432 H HG2  A PRO   A 1 143 ? 6.835   -14.913 -34.027 0.37 7.13  ? 143 PRO   A HG2  1 
ATOM   2433 H HG2  B PRO   A 1 143 ? 6.511   -15.115 -35.715 0.63 11.64 ? 143 PRO   A HG2  1 
ATOM   2434 H HG3  A PRO   A 1 143 ? 6.057   -13.738 -33.292 0.37 7.13  ? 143 PRO   A HG3  1 
ATOM   2435 H HG3  B PRO   A 1 143 ? 6.801   -14.841 -34.176 0.63 11.64 ? 143 PRO   A HG3  1 
ATOM   2436 H HD2  A PRO   A 1 143 ? 4.963   -15.724 -34.953 0.37 5.61  ? 143 PRO   A HD2  1 
ATOM   2437 H HD2  B PRO   A 1 143 ? 4.613   -15.879 -34.917 0.63 11.08 ? 143 PRO   A HD2  1 
ATOM   2438 H HD3  A PRO   A 1 143 ? 4.291   -15.061 -33.675 0.37 5.61  ? 143 PRO   A HD3  1 
ATOM   2439 H HD3  B PRO   A 1 143 ? 4.671   -14.932 -33.642 0.63 11.08 ? 143 PRO   A HD3  1 
ATOM   2440 N N    A GLY   A 1 144 ? 4.935   -11.441 -37.687 0.37 3.18  ? 144 GLY   A N    1 
ATOM   2441 N N    B GLY   A 1 144 ? 4.954   -11.484 -37.724 0.63 6.39  ? 144 GLY   A N    1 
ATOM   2442 C CA   A GLY   A 1 144 ? 4.895   -11.088 -39.079 0.37 3.36  ? 144 GLY   A CA   1 
ATOM   2443 C CA   B GLY   A 1 144 ? 4.917   -11.178 -39.133 0.63 6.59  ? 144 GLY   A CA   1 
ATOM   2444 C C    A GLY   A 1 144 ? 3.494   -10.943 -39.632 0.37 3.43  ? 144 GLY   A C    1 
ATOM   2445 C C    B GLY   A 1 144 ? 3.529   -11.114 -39.726 0.63 6.30  ? 144 GLY   A C    1 
ATOM   2446 O O    A GLY   A 1 144 ? 3.299   -10.227 -40.619 0.37 4.09  ? 144 GLY   A O    1 
ATOM   2447 O O    B GLY   A 1 144 ? 3.376   -10.666 -40.870 0.63 6.75  ? 144 GLY   A O    1 
ATOM   2448 H H    A GLY   A 1 144 ? 4.823   -10.766 -37.165 0.37 3.82  ? 144 GLY   A H    1 
ATOM   2449 H H    B GLY   A 1 144 ? 5.026   -10.786 -37.226 0.63 7.67  ? 144 GLY   A H    1 
ATOM   2450 H HA2  A GLY   A 1 144 ? 5.356   -10.243 -39.202 0.37 4.04  ? 144 GLY   A HA2  1 
ATOM   2451 H HA2  B GLY   A 1 144 ? 5.342   -10.318 -39.277 0.63 7.91  ? 144 GLY   A HA2  1 
ATOM   2452 H HA3  A GLY   A 1 144 ? 5.351   -11.774 -39.591 0.37 4.04  ? 144 GLY   A HA3  1 
ATOM   2453 H HA3  B GLY   A 1 144 ? 5.414   -11.859 -39.613 0.63 7.91  ? 144 GLY   A HA3  1 
ATOM   2454 N N    . ALA   A 1 145 ? 2.524   -11.598 -39.012 1.00 4.54  ? 145 ALA   A N    1 
ATOM   2455 C CA   . ALA   A 1 145 ? 1.151   -11.555 -39.482 1.00 4.96  ? 145 ALA   A CA   1 
ATOM   2456 C C    . ALA   A 1 145 ? 0.468   -10.263 -39.039 1.00 4.58  ? 145 ALA   A C    1 
ATOM   2457 O O    . ALA   A 1 145 ? 1.085   -9.375  -38.471 1.00 5.92  ? 145 ALA   A O    1 
ATOM   2458 C CB   . ALA   A 1 145 ? 0.377   -12.784 -39.002 1.00 5.82  ? 145 ALA   A CB   1 
ATOM   2459 H H    A ALA   A 1 145 ? 2.637   -12.079 -38.308 0.37 5.44  ? 145 ALA   A H    1 
ATOM   2460 H H    B ALA   A 1 145 ? 2.614   -11.962 -38.238 0.63 5.44  ? 145 ALA   A H    1 
ATOM   2461 H HA   . ALA   A 1 145 ? 1.164   -11.568 -40.452 1.00 5.95  ? 145 ALA   A HA   1 
ATOM   2462 H HB1  . ALA   A 1 145 ? -0.507  -12.776 -39.400 1.00 6.98  ? 145 ALA   A HB1  1 
ATOM   2463 H HB2  . ALA   A 1 145 ? 0.855   -13.584 -39.273 1.00 6.98  ? 145 ALA   A HB2  1 
ATOM   2464 H HB3  . ALA   A 1 145 ? 0.305   -12.754 -38.035 1.00 6.98  ? 145 ALA   A HB3  1 
ATOM   2465 N N    . SER   A 1 146 ? -0.823  -10.141 -39.345 1.00 5.78  ? 146 SER   A N    1 
ATOM   2466 C CA   . SER   A 1 146 ? -1.658  -9.060  -38.870 1.00 5.26  ? 146 SER   A CA   1 
ATOM   2467 C C    . SER   A 1 146 ? -2.863  -9.653  -38.161 1.00 5.20  ? 146 SER   A C    1 
ATOM   2468 O O    . SER   A 1 146 ? -3.210  -10.820 -38.378 1.00 6.08  ? 146 SER   A O    1 
ATOM   2469 C CB   . SER   A 1 146 ? -2.164  -8.189  -40.011 1.00 6.02  ? 146 SER   A CB   1 
ATOM   2470 O OG   . SER   A 1 146 ? -3.193  -8.819  -40.730 1.00 7.01  ? 146 SER   A OG   1 
ATOM   2471 H H    . SER   A 1 146 ? -1.247  -10.697 -39.847 1.00 6.93  ? 146 SER   A H    1 
ATOM   2472 H HA   . SER   A 1 146 ? -1.143  -8.506  -38.262 1.00 6.31  ? 146 SER   A HA   1 
ATOM   2473 H HB2  . SER   A 1 146 ? -2.504  -7.359  -39.642 1.00 7.22  ? 146 SER   A HB2  1 
ATOM   2474 H HB3  . SER   A 1 146 ? -1.427  -8.007  -40.615 1.00 7.22  ? 146 SER   A HB3  1 
ATOM   2475 H HG   . SER   A 1 146 ? -2.910  -9.063  -41.483 1.00 8.41  ? 146 SER   A HG   1 
ATOM   2476 N N    . VAL   A 1 147 ? -3.520  -8.846  -37.337 1.00 4.52  ? 147 VAL   A N    1 
ATOM   2477 C CA   . VAL   A 1 147 ? -4.702  -9.277  -36.605 1.00 5.00  ? 147 VAL   A CA   1 
ATOM   2478 C C    . VAL   A 1 147 ? -5.704  -8.149  -36.555 1.00 4.60  ? 147 VAL   A C    1 
ATOM   2479 O O    . VAL   A 1 147 ? -5.344  -6.978  -36.518 1.00 4.89  ? 147 VAL   A O    1 
ATOM   2480 C CB   . VAL   A 1 147 ? -4.304  -9.748  -35.185 1.00 6.47  ? 147 VAL   A CB   1 
ATOM   2481 C CG1  . VAL   A 1 147 ? -3.799  -8.587  -34.319 1.00 7.25  ? 147 VAL   A CG1  1 
ATOM   2482 C CG2  . VAL   A 1 147 ? -5.408  -10.500 -34.479 1.00 8.12  ? 147 VAL   A CG2  1 
ATOM   2483 H H    . VAL   A 1 147 ? -3.296  -8.030  -37.183 1.00 5.42  ? 147 VAL   A H    1 
ATOM   2484 H HA   . VAL   A 1 147 ? -5.137  -10.008 -37.072 1.00 5.99  ? 147 VAL   A HA   1 
ATOM   2485 H HB   . VAL   A 1 147 ? -3.572  -10.373 -35.305 1.00 7.77  ? 147 VAL   A HB   1 
ATOM   2486 H HG11 . VAL   A 1 147 ? -3.414  -8.945  -33.503 1.00 8.70  ? 147 VAL   A HG11 1 
ATOM   2487 H HG12 . VAL   A 1 147 ? -3.126  -8.093  -34.813 1.00 8.70  ? 147 VAL   A HG12 1 
ATOM   2488 H HG13 . VAL   A 1 147 ? -4.545  -8.005  -34.104 1.00 8.70  ? 147 VAL   A HG13 1 
ATOM   2489 H HG21 . VAL   A 1 147 ? -5.075  -10.822 -33.627 1.00 9.75  ? 147 VAL   A HG21 1 
ATOM   2490 H HG22 . VAL   A 1 147 ? -6.157  -9.900  -34.336 1.00 9.75  ? 147 VAL   A HG22 1 
ATOM   2491 H HG23 . VAL   A 1 147 ? -5.684  -11.248 -35.031 1.00 9.75  ? 147 VAL   A HG23 1 
ATOM   2492 N N    . GLN   A 1 148 ? -6.980  -8.532  -36.513 1.00 5.09  ? 148 GLN   A N    1 
ATOM   2493 C CA   A GLN   A 1 148 ? -8.112  -7.624  -36.391 0.68 5.26  ? 148 GLN   A CA   1 
ATOM   2494 C CA   B GLN   A 1 148 ? -8.089  -7.601  -36.381 0.32 5.71  ? 148 GLN   A CA   1 
ATOM   2495 C C    . GLN   A 1 148 ? -8.616  -7.597  -34.952 1.00 4.96  ? 148 GLN   A C    1 
ATOM   2496 O O    . GLN   A 1 148 ? -8.951  -8.659  -34.397 1.00 6.50  ? 148 GLN   A O    1 
ATOM   2497 C CB   A GLN   A 1 148 ? -9.223  -8.146  -37.295 0.68 7.68  ? 148 GLN   A CB   1 
ATOM   2498 C CB   B GLN   A 1 148 ? -9.226  -7.978  -37.325 0.32 7.47  ? 148 GLN   A CB   1 
ATOM   2499 C CG   A GLN   A 1 148 ? -10.563 -7.476  -37.132 0.68 9.45  ? 148 GLN   A CG   1 
ATOM   2500 C CG   B GLN   A 1 148 ? -10.425 -7.056  -37.190 0.32 5.42  ? 148 GLN   A CG   1 
ATOM   2501 C CD   A GLN   A 1 148 ? -11.657 -8.335  -37.697 0.68 10.72 ? 148 GLN   A CD   1 
ATOM   2502 C CD   B GLN   A 1 148 ? -11.349 -7.134  -38.371 0.32 5.92  ? 148 GLN   A CD   1 
ATOM   2503 O OE1  A GLN   A 1 148 ? -11.955 -9.413  -37.175 0.68 13.99 ? 148 GLN   A OE1  1 
ATOM   2504 O OE1  B GLN   A 1 148 ? -11.185 -6.408  -39.339 0.32 9.40  ? 148 GLN   A OE1  1 
ATOM   2505 N NE2  A GLN   A 1 148 ? -12.237 -7.886  -38.792 0.68 13.52 ? 148 GLN   A NE2  1 
ATOM   2506 N NE2  B GLN   A 1 148 ? -12.331 -8.012  -38.295 0.32 7.28  ? 148 GLN   A NE2  1 
ATOM   2507 H H    A GLN   A 1 148 ? -7.225  -9.355  -36.557 0.68 6.11  ? 148 GLN   A H    1 
ATOM   2508 H H    B GLN   A 1 148 ? -7.232  -9.352  -36.562 0.32 6.11  ? 148 GLN   A H    1 
ATOM   2509 H HA   A GLN   A 1 148 ? -7.854  -6.720  -36.631 0.68 6.31  ? 148 GLN   A HA   1 
ATOM   2510 H HA   B GLN   A 1 148 ? -7.769  -6.711  -36.596 0.32 6.86  ? 148 GLN   A HA   1 
ATOM   2511 H HB2  A GLN   A 1 148 ? -8.949  -8.021  -38.217 0.68 9.21  ? 148 GLN   A HB2  1 
ATOM   2512 H HB2  B GLN   A 1 148 ? -8.908  -7.927  -38.240 0.32 8.97  ? 148 GLN   A HB2  1 
ATOM   2513 H HB3  A GLN   A 1 148 ? -9.348  -9.090  -37.111 0.68 9.21  ? 148 GLN   A HB3  1 
ATOM   2514 H HB3  B GLN   A 1 148 ? -9.517  -8.882  -37.126 0.32 8.97  ? 148 GLN   A HB3  1 
ATOM   2515 H HG2  A GLN   A 1 148 ? -10.740 -7.332  -36.189 0.68 11.34 ? 148 GLN   A HG2  1 
ATOM   2516 H HG2  B GLN   A 1 148 ? -10.927 -7.304  -36.398 0.32 6.50  ? 148 GLN   A HG2  1 
ATOM   2517 H HG3  A GLN   A 1 148 ? -10.561 -6.628  -37.603 0.68 11.34 ? 148 GLN   A HG3  1 
ATOM   2518 H HG3  B GLN   A 1 148 ? -10.113 -6.141  -37.112 0.32 6.50  ? 148 GLN   A HG3  1 
ATOM   2519 H HE21 A GLN   A 1 148 ? -11.983 -7.141  -39.139 0.68 16.22 ? 148 GLN   A HE21 1 
ATOM   2520 H HE21 B GLN   A 1 148 ? -12.415 -8.503  -37.594 0.32 8.74  ? 148 GLN   A HE21 1 
ATOM   2521 H HE22 A GLN   A 1 148 ? -12.871 -8.337  -39.159 0.68 16.22 ? 148 GLN   A HE22 1 
ATOM   2522 H HE22 B GLN   A 1 148 ? -12.887 -8.093  -38.947 0.32 8.74  ? 148 GLN   A HE22 1 
ATOM   2523 N N    . LEU   A 1 149 ? -8.722  -6.412  -34.391 1.00 4.25  ? 149 LEU   A N    1 
ATOM   2524 C CA   . LEU   A 1 149 ? -9.359  -6.190  -33.104 1.00 4.32  ? 149 LEU   A CA   1 
ATOM   2525 C C    . LEU   A 1 149 ? -10.647 -5.401  -33.329 1.00 4.38  ? 149 LEU   A C    1 
ATOM   2526 O O    . LEU   A 1 149 ? -10.707 -4.513  -34.169 1.00 6.17  ? 149 LEU   A O    1 
ATOM   2527 C CB   . LEU   A 1 149 ? -8.448  -5.432  -32.164 1.00 4.57  ? 149 LEU   A CB   1 
ATOM   2528 C CG   . LEU   A 1 149 ? -7.107  -6.102  -31.870 1.00 8.45  ? 149 LEU   A CG   1 
ATOM   2529 C CD1  . LEU   A 1 149 ? -6.501  -5.379  -30.701 1.00 11.51 ? 149 LEU   A CD1  1 
ATOM   2530 C CD2  . LEU   A 1 149 ? -7.167  -7.566  -31.598 1.00 11.17 ? 149 LEU   A CD2  1 
ATOM   2531 H H    . LEU   A 1 149 ? -8.422  -5.689  -34.748 1.00 5.10  ? 149 LEU   A H    1 
ATOM   2532 H HA   . LEU   A 1 149 ? -9.572  -7.039  -32.685 1.00 5.19  ? 149 LEU   A HA   1 
ATOM   2533 H HB2  . LEU   A 1 149 ? -8.259  -4.565  -32.556 1.00 5.48  ? 149 LEU   A HB2  1 
ATOM   2534 H HB3  . LEU   A 1 149 ? -8.908  -5.321  -31.317 1.00 5.48  ? 149 LEU   A HB3  1 
ATOM   2535 H HG   . LEU   A 1 149 ? -6.561  -6.042  -32.670 1.00 10.14 ? 149 LEU   A HG   1 
ATOM   2536 H HD11 . LEU   A 1 149 ? -5.621  -5.746  -30.524 1.00 13.81 ? 149 LEU   A HD11 1 
ATOM   2537 H HD12 . LEU   A 1 149 ? -6.429  -4.436  -30.916 1.00 13.81 ? 149 LEU   A HD12 1 
ATOM   2538 H HD13 . LEU   A 1 149 ? -7.072  -5.498  -29.926 1.00 13.81 ? 149 LEU   A HD13 1 
ATOM   2539 H HD21 . LEU   A 1 149 ? -6.272  -7.889  -31.413 1.00 13.40 ? 149 LEU   A HD21 1 
ATOM   2540 H HD22 . LEU   A 1 149 ? -7.740  -7.721  -30.831 1.00 13.40 ? 149 LEU   A HD22 1 
ATOM   2541 H HD23 . LEU   A 1 149 ? -7.528  -8.017  -32.377 1.00 13.40 ? 149 LEU   A HD23 1 
ATOM   2542 N N    . SER   A 1 150 ? -11.690 -5.730  -32.572 1.00 5.31  ? 150 SER   A N    1 
ATOM   2543 C CA   . SER   A 1 150 ? -12.997 -5.097  -32.716 1.00 5.23  ? 150 SER   A CA   1 
ATOM   2544 C C    . SER   A 1 150 ? -13.452 -4.471  -31.400 1.00 4.53  ? 150 SER   A C    1 
ATOM   2545 O O    . SER   A 1 150 ? -13.081 -4.920  -30.317 1.00 4.67  ? 150 SER   A O    1 
ATOM   2546 C CB   . SER   A 1 150 ? -14.053 -6.096  -33.196 1.00 7.12  ? 150 SER   A CB   1 
ATOM   2547 O OG   . SER   A 1 150 ? -14.279 -7.119  -32.254 1.00 7.86  ? 150 SER   A OG   1 
ATOM   2548 H H    . SER   A 1 150 ? -11.665 -6.330  -31.956 1.00 6.37  ? 150 SER   A H    1 
ATOM   2549 H HA   . SER   A 1 150 ? -12.920 -4.385  -33.370 1.00 6.28  ? 150 SER   A HA   1 
ATOM   2550 H HB2  . SER   A 1 150 ? -14.886 -5.621  -33.345 1.00 8.54  ? 150 SER   A HB2  1 
ATOM   2551 H HB3  . SER   A 1 150 ? -13.748 -6.497  -34.024 1.00 8.54  ? 150 SER   A HB3  1 
ATOM   2552 H HG   . SER   A 1 150 ? -13.580 -7.573  -32.150 1.00 9.43  ? 150 SER   A HG   1 
ATOM   2553 N N    . CYS   A 1 151 ? -14.344 -3.489  -31.531 1.00 4.09  ? 151 CYS   A N    1 
ATOM   2554 C CA   . CYS   A 1 151 ? -14.893 -2.784  -30.385 1.00 4.34  ? 151 CYS   A CA   1 
ATOM   2555 C C    . CYS   A 1 151 ? -16.288 -2.320  -30.781 1.00 4.25  ? 151 CYS   A C    1 
ATOM   2556 O O    . CYS   A 1 151 ? -16.416 -1.427  -31.629 1.00 5.23  ? 151 CYS   A O    1 
ATOM   2557 C CB   . CYS   A 1 151 ? -14.037 -1.585  -30.046 1.00 5.94  ? 151 CYS   A CB   1 
ATOM   2558 S SG   . CYS   A 1 151 ? -14.712 -0.535  -28.804 1.00 6.78  ? 151 CYS   A SG   1 
ATOM   2559 H H    . CYS   A 1 151 ? -14.648 -3.211  -32.286 1.00 4.91  ? 151 CYS   A H    1 
ATOM   2560 H HA   . CYS   A 1 151 ? -14.944 -3.376  -29.618 1.00 5.21  ? 151 CYS   A HA   1 
ATOM   2561 H HB2  . CYS   A 1 151 ? -13.176 -1.900  -29.728 1.00 7.13  ? 151 CYS   A HB2  1 
ATOM   2562 H HB3  . CYS   A 1 151 ? -13.919 -1.053  -30.849 1.00 7.13  ? 151 CYS   A HB3  1 
ATOM   2563 N N    . LYS   A 1 152 ? -17.323 -2.917  -30.196 1.00 4.46  ? 152 LYS   A N    1 
ATOM   2564 C CA   . LYS   A 1 152 ? -18.708 -2.594  -30.505 1.00 5.05  ? 152 LYS   A CA   1 
ATOM   2565 C C    . LYS   A 1 152 ? -19.263 -1.668  -29.438 1.00 5.38  ? 152 LYS   A C    1 
ATOM   2566 O O    . LYS   A 1 152 ? -19.202 -1.981  -28.244 1.00 7.26  ? 152 LYS   A O    1 
ATOM   2567 C CB   . LYS   A 1 152 ? -19.540 -3.879  -30.619 1.00 6.72  ? 152 LYS   A CB   1 
ATOM   2568 C CG   . LYS   A 1 152 ? -20.989 -3.671  -30.972 1.00 7.84  ? 152 LYS   A CG   1 
ATOM   2569 C CD   . LYS   A 1 152 ? -21.696 -5.022  -31.191 1.00 10.24 ? 152 LYS   A CD   1 
ATOM   2570 C CE   . LYS   A 1 152 ? -23.167 -4.887  -31.461 1.00 11.11 ? 152 LYS   A CE   1 
ATOM   2571 N NZ   . LYS   A 1 152 ? -23.426 -4.418  -32.819 1.00 10.34 ? 152 LYS   A NZ   1 
ATOM   2572 H H    . LYS   A 1 152 ? -17.244 -3.530  -29.598 1.00 5.36  ? 152 LYS   A H    1 
ATOM   2573 H HA   . LYS   A 1 152 ? -18.762 -2.123  -31.352 1.00 6.05  ? 152 LYS   A HA   1 
ATOM   2574 H HB2  . LYS   A 1 152 ? -19.150 -4.438  -31.309 1.00 8.07  ? 152 LYS   A HB2  1 
ATOM   2575 H HB3  . LYS   A 1 152 ? -19.513 -4.339  -29.765 1.00 8.07  ? 152 LYS   A HB3  1 
ATOM   2576 H HG2  . LYS   A 1 152 ? -21.436 -3.203  -30.249 1.00 9.40  ? 152 LYS   A HG2  1 
ATOM   2577 H HG3  . LYS   A 1 152 ? -21.052 -3.154  -31.791 1.00 9.40  ? 152 LYS   A HG3  1 
ATOM   2578 H HD2  . LYS   A 1 152 ? -21.293 -5.468  -31.953 1.00 12.28 ? 152 LYS   A HD2  1 
ATOM   2579 H HD3  . LYS   A 1 152 ? -21.589 -5.566  -30.395 1.00 12.28 ? 152 LYS   A HD3  1 
ATOM   2580 H HE2  . LYS   A 1 152 ? -23.594 -5.751  -31.351 1.00 13.33 ? 152 LYS   A HE2  1 
ATOM   2581 H HE3  . LYS   A 1 152 ? -23.549 -4.247  -30.841 1.00 13.33 ? 152 LYS   A HE3  1 
ATOM   2582 H HZ1  . LYS   A 1 152 ? -24.303 -4.394  -32.970 1.00 12.40 ? 152 LYS   A HZ1  1 
ATOM   2583 H HZ2  . LYS   A 1 152 ? -23.091 -3.601  -32.928 1.00 12.40 ? 152 LYS   A HZ2  1 
ATOM   2584 H HZ3  . LYS   A 1 152 ? -23.047 -4.967  -33.408 1.00 12.40 ? 152 LYS   A HZ3  1 
ATOM   2585 N N    A GLY   A 1 153 ? -19.748 -0.507  -29.857 0.59 6.23  ? 153 GLY   A N    1 
ATOM   2586 N N    B GLY   A 1 153 ? -19.875 -0.566  -29.856 0.41 5.12  ? 153 GLY   A N    1 
ATOM   2587 C CA   A GLY   A 1 153 ? -20.284 0.466   -28.933 0.59 6.69  ? 153 GLY   A CA   1 
ATOM   2588 C CA   B GLY   A 1 153 ? -20.570 0.305   -28.924 0.41 5.82  ? 153 GLY   A CA   1 
ATOM   2589 C C    A GLY   A 1 153 ? -21.767 0.241   -28.739 0.59 9.09  ? 153 GLY   A C    1 
ATOM   2590 C C    B GLY   A 1 153 ? -22.014 -0.135  -28.740 0.41 3.12  ? 153 GLY   A C    1 
ATOM   2591 O O    A GLY   A 1 153 ? -22.552 0.270   -29.702 0.59 11.54 ? 153 GLY   A O    1 
ATOM   2592 O O    B GLY   A 1 153 ? -22.646 -0.633  -29.671 0.41 6.16  ? 153 GLY   A O    1 
ATOM   2593 H H    A GLY   A 1 153 ? -19.775 -0.261  -30.681 0.59 7.48  ? 153 GLY   A H    1 
ATOM   2594 H H    B GLY   A 1 153 ? -19.900 -0.302  -30.674 0.41 6.15  ? 153 GLY   A H    1 
ATOM   2595 H HA2  A GLY   A 1 153 ? -19.838 0.386   -28.075 0.59 8.03  ? 153 GLY   A HA2  1 
ATOM   2596 H HA2  B GLY   A 1 153 ? -20.125 0.283   -28.063 0.41 6.98  ? 153 GLY   A HA2  1 
ATOM   2597 H HA3  A GLY   A 1 153 ? -20.144 1.361   -29.280 0.59 8.03  ? 153 GLY   A HA3  1 
ATOM   2598 H HA3  B GLY   A 1 153 ? -20.562 1.215   -29.261 0.41 6.98  ? 153 GLY   A HA3  1 
ATOM   2599 N N    A SER   A 1 154 ? -22.147 0.009   -27.489 0.59 6.22  ? 154 SER   A N    1 
ATOM   2600 N N    B SER   A 1 154 ? -22.519 0.033   -27.518 0.41 3.40  ? 154 SER   A N    1 
ATOM   2601 C CA   A SER   A 1 154 ? -23.500 -0.364  -27.121 0.59 6.38  ? 154 SER   A CA   1 
ATOM   2602 C CA   B SER   A 1 154 ? -23.881 -0.341  -27.181 0.41 3.68  ? 154 SER   A CA   1 
ATOM   2603 C C    A SER   A 1 154 ? -24.100 0.678   -26.186 0.59 5.19  ? 154 SER   A C    1 
ATOM   2604 C C    B SER   A 1 154 ? -24.444 0.659   -26.182 0.41 3.26  ? 154 SER   A C    1 
ATOM   2605 O O    A SER   A 1 154 ? -23.438 1.141   -25.249 0.59 6.70  ? 154 SER   A O    1 
ATOM   2606 O O    B SER   A 1 154 ? -23.762 1.056   -25.229 0.41 3.45  ? 154 SER   A O    1 
ATOM   2607 C CB   A SER   A 1 154 ? -23.453 -1.704  -26.390 0.59 5.38  ? 154 SER   A CB   1 
ATOM   2608 C CB   B SER   A 1 154 ? -23.881 -1.738  -26.557 0.41 6.18  ? 154 SER   A CB   1 
ATOM   2609 O OG   A SER   A 1 154 ? -24.698 -2.045  -25.828 0.59 6.11  ? 154 SER   A OG   1 
ATOM   2610 O OG   B SER   A 1 154 ? -25.118 -2.040  -25.955 0.41 7.94  ? 154 SER   A OG   1 
ATOM   2611 H H    A SER   A 1 154 ? -21.617 0.064   -26.814 0.59 7.46  ? 154 SER   A H    1 
ATOM   2612 H H    B SER   A 1 154 ? -22.079 0.367   -26.859 0.41 4.07  ? 154 SER   A H    1 
ATOM   2613 H HA   A SER   A 1 154 ? -24.061 -0.416  -27.911 0.59 7.66  ? 154 SER   A HA   1 
ATOM   2614 H HA   B SER   A 1 154 ? -24.448 -0.328  -27.968 0.41 4.41  ? 154 SER   A HA   1 
ATOM   2615 H HB2  A SER   A 1 154 ? -23.198 -2.394  -27.022 0.59 6.45  ? 154 SER   A HB2  1 
ATOM   2616 H HB2  B SER   A 1 154 ? -23.705 -2.391  -27.253 0.41 7.41  ? 154 SER   A HB2  1 
ATOM   2617 H HB3  A SER   A 1 154 ? -22.796 -1.647  -25.678 0.59 6.45  ? 154 SER   A HB3  1 
ATOM   2618 H HB3  B SER   A 1 154 ? -23.187 -1.779  -25.881 0.41 7.41  ? 154 SER   A HB3  1 
ATOM   2619 H HG   A SER   A 1 154 ? -24.625 -2.747  -25.372 0.59 7.33  ? 154 SER   A HG   1 
ATOM   2620 H HG   B SER   A 1 154 ? -25.081 -2.792  -25.582 0.41 9.53  ? 154 SER   A HG   1 
ATOM   2621 N N    A GLY   A 1 155 ? -25.366 1.029   -26.416 0.59 5.35  ? 155 GLY   A N    1 
ATOM   2622 N N    B GLY   A 1 155 ? -25.698 1.062   -26.402 0.41 3.55  ? 155 GLY   A N    1 
ATOM   2623 C CA   A GLY   A 1 155 ? -26.095 1.793   -25.427 0.59 5.29  ? 155 GLY   A CA   1 
ATOM   2624 C CA   B GLY   A 1 155 ? -26.384 1.925   -25.464 0.41 4.17  ? 155 GLY   A CA   1 
ATOM   2625 C C    A GLY   A 1 155 ? -25.907 3.286   -25.493 0.59 5.02  ? 155 GLY   A C    1 
ATOM   2626 C C    B GLY   A 1 155 ? -26.073 3.396   -25.602 0.41 3.38  ? 155 GLY   A C    1 
ATOM   2627 O O    A GLY   A 1 155 ? -26.152 3.975   -24.496 0.59 5.69  ? 155 GLY   A O    1 
ATOM   2628 O O    B GLY   A 1 155 ? -26.447 4.175   -24.719 0.41 4.74  ? 155 GLY   A O    1 
ATOM   2629 H H    A GLY   A 1 155 ? -25.810 0.837   -27.127 0.59 6.42  ? 155 GLY   A H    1 
ATOM   2630 H H    B GLY   A 1 155 ? -26.166 0.844   -27.090 0.41 4.26  ? 155 GLY   A H    1 
ATOM   2631 H HA2  A GLY   A 1 155 ? -27.042 1.612   -25.534 0.59 6.34  ? 155 GLY   A HA2  1 
ATOM   2632 H HA2  B GLY   A 1 155 ? -27.340 1.814   -25.583 0.41 5.01  ? 155 GLY   A HA2  1 
ATOM   2633 H HA3  A GLY   A 1 155 ? -25.815 1.502   -24.545 0.59 6.34  ? 155 GLY   A HA3  1 
ATOM   2634 H HA3  B GLY   A 1 155 ? -26.144 1.656   -24.564 0.41 5.01  ? 155 GLY   A HA3  1 
ATOM   2635 N N    A TYR   A 1 156 ? -25.486 3.801   -26.643 0.59 5.42  ? 156 TYR   A N    1 
ATOM   2636 N N    B TYR   A 1 156 ? -25.387 3.789   -26.675 0.41 4.31  ? 156 TYR   A N    1 
ATOM   2637 C CA   A TYR   A 1 156 ? -25.302 5.217   -26.894 0.59 5.51  ? 156 TYR   A CA   1 
ATOM   2638 C CA   B TYR   A 1 156 ? -25.134 5.177   -27.015 0.41 5.08  ? 156 TYR   A CA   1 
ATOM   2639 C C    A TYR   A 1 156 ? -25.343 5.407   -28.405 0.59 4.28  ? 156 TYR   A C    1 
ATOM   2640 C C    B TYR   A 1 156 ? -25.093 5.279   -28.532 0.41 5.56  ? 156 TYR   A C    1 
ATOM   2641 O O    A TYR   A 1 156 ? -25.392 4.437   -29.170 0.59 3.53  ? 156 TYR   A O    1 
ATOM   2642 O O    B TYR   A 1 156 ? -25.063 4.272   -29.244 0.41 7.16  ? 156 TYR   A O    1 
ATOM   2643 C CB   A TYR   A 1 156 ? -23.999 5.731   -26.282 0.59 5.38  ? 156 TYR   A CB   1 
ATOM   2644 C CB   B TYR   A 1 156 ? -23.852 5.718   -26.375 0.41 6.03  ? 156 TYR   A CB   1 
ATOM   2645 C CG   A TYR   A 1 156 ? -22.728 5.263   -26.965 0.59 5.97  ? 156 TYR   A CG   1 
ATOM   2646 C CG   B TYR   A 1 156 ? -22.562 5.131   -26.905 0.41 5.35  ? 156 TYR   A CG   1 
ATOM   2647 C CD1  A TYR   A 1 156 ? -22.168 4.017   -26.697 0.59 6.19  ? 156 TYR   A CD1  1 
ATOM   2648 C CD1  B TYR   A 1 156 ? -22.106 3.894   -26.481 0.41 5.25  ? 156 TYR   A CD1  1 
ATOM   2649 C CD2  A TYR   A 1 156 ? -22.081 6.085   -27.870 0.59 5.09  ? 156 TYR   A CD2  1 
ATOM   2650 C CD2  B TYR   A 1 156 ? -21.793 5.825   -27.826 0.41 5.95  ? 156 TYR   A CD2  1 
ATOM   2651 C CE1  A TYR   A 1 156 ? -20.975 3.614   -27.302 0.59 7.78  ? 156 TYR   A CE1  1 
ATOM   2652 C CE1  B TYR   A 1 156 ? -20.914 3.368   -26.951 0.41 4.69  ? 156 TYR   A CE1  1 
ATOM   2653 C CE2  A TYR   A 1 156 ? -20.909 5.691   -28.485 0.59 7.45  ? 156 TYR   A CE2  1 
ATOM   2654 C CE2  B TYR   A 1 156 ? -20.607 5.305   -28.305 0.41 4.54  ? 156 TYR   A CE2  1 
ATOM   2655 C CZ   A TYR   A 1 156 ? -20.360 4.457   -28.211 0.59 6.46  ? 156 TYR   A CZ   1 
ATOM   2656 C CZ   B TYR   A 1 156 ? -20.179 4.075   -27.865 0.41 4.56  ? 156 TYR   A CZ   1 
ATOM   2657 O OH   A TYR   A 1 156 ? -19.185 4.073   -28.836 0.59 9.48  ? 156 TYR   A OH   1 
ATOM   2658 O OH   B TYR   A 1 156 ? -18.998 3.553   -28.326 0.41 3.82  ? 156 TYR   A OH   1 
ATOM   2659 H H    A TYR   A 1 156 ? -25.289 3.321   -27.329 0.59 6.51  ? 156 TYR   A H    1 
ATOM   2660 H H    B TYR   A 1 156 ? -25.044 3.242   -27.243 0.41 5.18  ? 156 TYR   A H    1 
ATOM   2661 H HA   A TYR   A 1 156 ? -26.022 5.731   -26.496 0.59 6.61  ? 156 TYR   A HA   1 
ATOM   2662 H HA   B TYR   A 1 156 ? -25.860 5.727   -26.681 0.41 6.10  ? 156 TYR   A HA   1 
ATOM   2663 H HB2  A TYR   A 1 156 ? -24.006 6.700   -26.317 0.59 6.45  ? 156 TYR   A HB2  1 
ATOM   2664 H HB2  B TYR   A 1 156 ? -23.817 6.676   -26.526 0.41 7.24  ? 156 TYR   A HB2  1 
ATOM   2665 H HB3  A TYR   A 1 156 ? -23.957 5.433   -25.359 0.59 6.45  ? 156 TYR   A HB3  1 
ATOM   2666 H HB3  B TYR   A 1 156 ? -23.884 5.533   -25.423 0.41 7.24  ? 156 TYR   A HB3  1 
ATOM   2667 H HD1  A TYR   A 1 156 ? -22.596 3.442   -26.104 0.59 7.43  ? 156 TYR   A HD1  1 
ATOM   2668 H HD1  B TYR   A 1 156 ? -22.610 3.407   -25.870 0.41 6.29  ? 156 TYR   A HD1  1 
ATOM   2669 H HD2  A TYR   A 1 156 ? -22.443 6.918   -28.069 0.59 6.11  ? 156 TYR   A HD2  1 
ATOM   2670 H HD2  B TYR   A 1 156 ? -22.082 6.656   -28.128 0.41 7.13  ? 156 TYR   A HD2  1 
ATOM   2671 H HE1  A TYR   A 1 156 ? -20.599 2.789   -27.096 0.59 9.34  ? 156 TYR   A HE1  1 
ATOM   2672 H HE1  B TYR   A 1 156 ? -20.615 2.541   -26.648 0.41 5.62  ? 156 TYR   A HE1  1 
ATOM   2673 H HE2  A TYR   A 1 156 ? -20.488 6.261   -29.087 0.59 8.94  ? 156 TYR   A HE2  1 
ATOM   2674 H HE2  B TYR   A 1 156 ? -20.100 5.783   -28.921 0.41 5.45  ? 156 TYR   A HE2  1 
ATOM   2675 H HH   A TYR   A 1 156 ? -18.985 4.625   -29.437 0.59 11.37 ? 156 TYR   A HH   1 
ATOM   2676 H HH   B TYR   A 1 156 ? -18.869 2.794   -27.988 0.41 4.58  ? 156 TYR   A HH   1 
ATOM   2677 N N    A THR   A 1 157 ? -25.349 6.664   -28.829 0.59 4.25  ? 157 THR   A N    1 
ATOM   2678 N N    B THR   A 1 157 ? -25.120 6.507   -29.031 0.41 6.58  ? 157 THR   A N    1 
ATOM   2679 C CA   A THR   A 1 157 ? -25.476 6.994   -30.246 0.59 4.42  ? 157 THR   A CA   1 
ATOM   2680 C CA   B THR   A 1 157 ? -25.169 6.740   -30.471 0.41 6.22  ? 157 THR   A CA   1 
ATOM   2681 C C    A THR   A 1 157 ? -24.088 6.971   -30.864 0.59 4.19  ? 157 THR   A C    1 
ATOM   2682 C C    B THR   A 1 157 ? -23.746 6.737   -31.003 0.41 7.43  ? 157 THR   A C    1 
ATOM   2683 O O    A THR   A 1 157 ? -23.333 7.939   -30.785 0.59 5.01  ? 157 THR   A O    1 
ATOM   2684 O O    B THR   A 1 157 ? -23.036 7.741   -30.941 0.41 5.83  ? 157 THR   A O    1 
ATOM   2685 C CB   A THR   A 1 157 ? -26.211 8.315   -30.407 0.59 5.86  ? 157 THR   A CB   1 
ATOM   2686 C CB   B THR   A 1 157 ? -25.922 8.027   -30.770 0.41 7.59  ? 157 THR   A CB   1 
ATOM   2687 O OG1  A THR   A 1 157 ? -27.461 8.173   -29.727 0.59 6.06  ? 157 THR   A OG1  1 
ATOM   2688 O OG1  B THR   A 1 157 ? -27.245 7.898   -30.226 0.41 6.43  ? 157 THR   A OG1  1 
ATOM   2689 C CG2  A THR   A 1 157 ? -26.434 8.618   -31.886 0.59 6.10  ? 157 THR   A CG2  1 
ATOM   2690 C CG2  B THR   A 1 157 ? -25.993 8.273   -32.269 0.41 7.53  ? 157 THR   A CG2  1 
ATOM   2691 H H    A THR   A 1 157 ? -25.282 7.350   -28.314 0.59 5.09  ? 157 THR   A H    1 
ATOM   2692 H H    B THR   A 1 157 ? -25.110 7.224   -28.557 0.41 7.90  ? 157 THR   A H    1 
ATOM   2693 H HA   A THR   A 1 157 ? -25.994 6.321   -30.715 0.59 5.30  ? 157 THR   A HA   1 
ATOM   2694 H HA   B THR   A 1 157 ? -25.639 6.017   -30.915 0.41 7.47  ? 157 THR   A HA   1 
ATOM   2695 H HB   A THR   A 1 157 ? -25.708 9.059   -30.041 0.59 7.03  ? 157 THR   A HB   1 
ATOM   2696 H HB   B THR   A 1 157 ? -25.471 8.790   -30.376 0.41 9.11  ? 157 THR   A HB   1 
ATOM   2697 H HG1  A THR   A 1 157 ? -27.909 8.880   -29.800 0.59 7.27  ? 157 THR   A HG1  1 
ATOM   2698 H HG1  B THR   A 1 157 ? -27.714 8.557   -30.452 0.41 7.72  ? 157 THR   A HG1  1 
ATOM   2699 H HG21 A THR   A 1 157 ? -27.035 9.373   -31.983 0.59 7.32  ? 157 THR   A HG21 1 
ATOM   2700 H HG21 B THR   A 1 157 ? -26.620 8.989   -32.458 0.41 9.04  ? 157 THR   A HG21 1 
ATOM   2701 H HG22 A THR   A 1 157 ? -25.589 8.831   -32.312 0.59 7.32  ? 157 THR   A HG22 1 
ATOM   2702 H HG22 B THR   A 1 157 ? -25.119 8.523   -32.606 0.41 9.04  ? 157 THR   A HG22 1 
ATOM   2703 H HG23 A THR   A 1 157 ? -26.823 7.847   -32.328 0.59 7.32  ? 157 THR   A HG23 1 
ATOM   2704 H HG23 B THR   A 1 157 ? -26.288 7.468   -32.724 0.41 9.04  ? 157 THR   A HG23 1 
ATOM   2705 N N    A PHE   A 1 158 ? -23.765 5.836   -31.471 0.59 5.30  ? 158 PHE   A N    1 
ATOM   2706 N N    B PHE   A 1 158 ? -23.341 5.580   -31.518 0.41 6.87  ? 158 PHE   A N    1 
ATOM   2707 C CA   A PHE   A 1 158 ? -22.384 5.532   -31.828 0.59 6.02  ? 158 PHE   A CA   1 
ATOM   2708 C CA   B PHE   A 1 158 ? -21.993 5.376   -32.039 0.41 5.72  ? 158 PHE   A CA   1 
ATOM   2709 C C    A PHE   A 1 158 ? -21.739 6.550   -32.758 0.59 6.05  ? 158 PHE   A C    1 
ATOM   2710 C C    B PHE   A 1 158 ? -21.509 6.510   -32.931 0.41 6.97  ? 158 PHE   A C    1 
ATOM   2711 O O    A PHE   A 1 158 ? -20.567 6.893   -32.530 0.59 6.56  ? 158 PHE   A O    1 
ATOM   2712 O O    B PHE   A 1 158 ? -20.364 6.958   -32.754 0.41 6.12  ? 158 PHE   A O    1 
ATOM   2713 C CB   A PHE   A 1 158 ? -22.369 4.116   -32.407 0.59 7.70  ? 158 PHE   A CB   1 
ATOM   2714 C CB   B PHE   A 1 158 ? -22.002 4.012   -32.738 0.41 6.97  ? 158 PHE   A CB   1 
ATOM   2715 C CG   A PHE   A 1 158 ? -21.026 3.641   -32.842 0.59 6.65  ? 158 PHE   A CG   1 
ATOM   2716 C CG   B PHE   A 1 158 ? -20.688 3.590   -33.310 0.41 7.23  ? 158 PHE   A CG   1 
ATOM   2717 C CD1  A PHE   A 1 158 ? -20.166 3.053   -31.946 0.59 7.85  ? 158 PHE   A CD1  1 
ATOM   2718 C CD1  B PHE   A 1 158 ? -19.697 3.063   -32.507 0.41 7.15  ? 158 PHE   A CD1  1 
ATOM   2719 C CD2  A PHE   A 1 158 ? -20.640 3.756   -34.158 0.59 7.07  ? 158 PHE   A CD2  1 
ATOM   2720 C CD2  B PHE   A 1 158 ? -20.467 3.675   -34.664 0.41 6.94  ? 158 PHE   A CD2  1 
ATOM   2721 C CE1  A PHE   A 1 158 ? -18.933 2.586   -32.364 0.59 9.21  ? 158 PHE   A CE1  1 
ATOM   2722 C CE1  B PHE   A 1 158 ? -18.516 2.642   -33.043 0.41 5.53  ? 158 PHE   A CE1  1 
ATOM   2723 C CE2  A PHE   A 1 158 ? -19.414 3.287   -34.587 0.59 11.15 ? 158 PHE   A CE2  1 
ATOM   2724 C CE2  B PHE   A 1 158 ? -19.295 3.260   -35.199 0.41 6.39  ? 158 PHE   A CE2  1 
ATOM   2725 C CZ   A PHE   A 1 158 ? -18.555 2.708   -33.683 0.59 8.86  ? 158 PHE   A CZ   1 
ATOM   2726 C CZ   B PHE   A 1 158 ? -18.317 2.748   -34.382 0.41 6.14  ? 158 PHE   A CZ   1 
ATOM   2727 H H    A PHE   A 1 158 ? -24.326 5.222   -31.689 0.59 6.36  ? 158 PHE   A H    1 
ATOM   2728 H H    B PHE   A 1 158 ? -23.838 4.881   -31.579 0.41 8.24  ? 158 PHE   A H    1 
ATOM   2729 H HA   A PHE   A 1 158 ? -21.835 5.555   -31.029 0.59 7.23  ? 158 PHE   A HA   1 
ATOM   2730 H HA   B PHE   A 1 158 ? -21.351 5.350   -31.312 0.41 6.87  ? 158 PHE   A HA   1 
ATOM   2731 H HB2  A PHE   A 1 158 ? -22.691 3.501   -31.729 0.59 9.24  ? 158 PHE   A HB2  1 
ATOM   2732 H HB2  B PHE   A 1 158 ? -22.269 3.338   -32.094 0.41 8.37  ? 158 PHE   A HB2  1 
ATOM   2733 H HB3  A PHE   A 1 158 ? -22.953 4.091   -33.181 0.59 9.24  ? 158 PHE   A HB3  1 
ATOM   2734 H HB3  B PHE   A 1 158 ? -22.640 4.044   -33.468 0.41 8.37  ? 158 PHE   A HB3  1 
ATOM   2735 H HD1  A PHE   A 1 158 ? -20.414 2.969   -31.054 0.59 9.42  ? 158 PHE   A HD1  1 
ATOM   2736 H HD1  B PHE   A 1 158 ? -19.836 2.994   -31.590 0.41 8.58  ? 158 PHE   A HD1  1 
ATOM   2737 H HD2  A PHE   A 1 158 ? -21.215 4.157   -34.769 0.59 8.48  ? 158 PHE   A HD2  1 
ATOM   2738 H HD2  B PHE   A 1 158 ? -21.129 4.022   -35.218 0.41 8.32  ? 158 PHE   A HD2  1 
ATOM   2739 H HE1  A PHE   A 1 158 ? -18.357 2.189   -31.752 0.59 11.05 ? 158 PHE   A HE1  1 
ATOM   2740 H HE1  B PHE   A 1 158 ? -17.854 2.285   -32.497 0.41 6.63  ? 158 PHE   A HE1  1 
ATOM   2741 H HE2  A PHE   A 1 158 ? -19.170 3.363   -35.481 0.59 13.38 ? 158 PHE   A HE2  1 
ATOM   2742 H HE2  B PHE   A 1 158 ? -19.152 3.320   -36.116 0.41 7.67  ? 158 PHE   A HE2  1 
ATOM   2743 H HZ   A PHE   A 1 158 ? -17.723 2.399   -33.961 0.59 10.64 ? 158 PHE   A HZ   1 
ATOM   2744 H HZ   B PHE   A 1 158 ? -17.509 2.471   -34.750 0.41 7.37  ? 158 PHE   A HZ   1 
ATOM   2745 N N    A PRO   A 1 159 ? -22.391 7.064   -33.807 0.59 8.21  ? 159 PRO   A N    1 
ATOM   2746 N N    B PRO   A 1 159 ? -22.295 7.024   -33.886 0.41 9.50  ? 159 PRO   A N    1 
ATOM   2747 C CA   A PRO   A 1 159 ? -21.682 8.008   -34.688 0.59 10.23 ? 159 PRO   A CA   1 
ATOM   2748 C CA   B PRO   A 1 159 ? -21.755 8.066   -34.776 0.41 10.87 ? 159 PRO   A CA   1 
ATOM   2749 C C    A PRO   A 1 159 ? -21.363 9.336   -34.034 0.59 7.56  ? 159 PRO   A C    1 
ATOM   2750 C C    B PRO   A 1 159 ? -21.480 9.404   -34.104 0.41 7.69  ? 159 PRO   A C    1 
ATOM   2751 O O    A PRO   A 1 159 ? -20.573 10.096  -34.609 0.59 9.60  ? 159 PRO   A O    1 
ATOM   2752 O O    B PRO   A 1 159 ? -20.822 10.243  -34.731 0.41 10.33 ? 159 PRO   A O    1 
ATOM   2753 C CB   A PRO   A 1 159 ? -22.629 8.168   -35.886 0.59 13.45 ? 159 PRO   A CB   1 
ATOM   2754 C CB   B PRO   A 1 159 ? -22.812 8.183   -35.887 0.41 14.76 ? 159 PRO   A CB   1 
ATOM   2755 C CG   A PRO   A 1 159 ? -23.428 6.920   -35.891 0.59 11.51 ? 159 PRO   A CG   1 
ATOM   2756 C CG   B PRO   A 1 159 ? -24.043 7.593   -35.333 0.41 14.82 ? 159 PRO   A CG   1 
ATOM   2757 C CD   A PRO   A 1 159 ? -23.653 6.623   -34.424 0.59 10.40 ? 159 PRO   A CD   1 
ATOM   2758 C CD   B PRO   A 1 159 ? -23.598 6.528   -34.368 0.41 13.65 ? 159 PRO   A CD   1 
ATOM   2759 H HA   A PRO   A 1 159 ? -20.855 7.611   -35.005 0.59 12.28 ? 159 PRO   A HA   1 
ATOM   2760 H HA   B PRO   A 1 159 ? -20.927 7.751   -35.172 0.41 13.04 ? 159 PRO   A HA   1 
ATOM   2761 H HB2  A PRO   A 1 159 ? -23.195 8.946   -35.762 0.59 16.14 ? 159 PRO   A HB2  1 
ATOM   2762 H HB2  B PRO   A 1 159 ? -22.948 9.117   -36.111 0.41 17.71 ? 159 PRO   A HB2  1 
ATOM   2763 H HB3  A PRO   A 1 159 ? -22.117 8.259   -36.705 0.59 16.14 ? 159 PRO   A HB3  1 
ATOM   2764 H HB3  B PRO   A 1 159 ? -22.518 7.693   -36.671 0.41 17.71 ? 159 PRO   A HB3  1 
ATOM   2765 H HG2  A PRO   A 1 159 ? -24.269 7.064   -36.352 0.59 13.81 ? 159 PRO   A HG2  1 
ATOM   2766 H HG2  B PRO   A 1 159 ? -24.556 8.278   -34.875 0.41 17.78 ? 159 PRO   A HG2  1 
ATOM   2767 H HG3  A PRO   A 1 159 ? -22.932 6.207   -36.321 0.59 13.81 ? 159 PRO   A HG3  1 
ATOM   2768 H HG3  B PRO   A 1 159 ? -24.571 7.207   -36.050 0.41 17.78 ? 159 PRO   A HG3  1 
ATOM   2769 H HD2  A PRO   A 1 159 ? -24.404 7.130   -34.078 0.59 12.48 ? 159 PRO   A HD2  1 
ATOM   2770 H HD2  B PRO   A 1 159 ? -24.227 6.443   -33.634 0.41 16.39 ? 159 PRO   A HD2  1 
ATOM   2771 H HD3  A PRO   A 1 159 ? -23.797 5.675   -34.280 0.59 12.48 ? 159 PRO   A HD3  1 
ATOM   2772 H HD3  B PRO   A 1 159 ? -23.497 5.675   -34.818 0.41 16.39 ? 159 PRO   A HD3  1 
ATOM   2773 N N    . ASN   A 1 160 ? -21.949 9.638   -32.881 1.00 6.87  ? 160 ASN   A N    1 
ATOM   2774 C CA   . ASN   A 1 160 ? -21.743 10.922  -32.227 1.00 6.96  ? 160 ASN   A CA   1 
ATOM   2775 C C    . ASN   A 1 160 ? -20.463 10.983  -31.433 1.00 6.25  ? 160 ASN   A C    1 
ATOM   2776 O O    . ASN   A 1 160 ? -20.174 12.033  -30.864 1.00 7.16  ? 160 ASN   A O    1 
ATOM   2777 C CB   . ASN   A 1 160 ? -22.922 11.248  -31.315 1.00 9.54  ? 160 ASN   A CB   1 
ATOM   2778 C CG   . ASN   A 1 160 ? -24.183 11.562  -32.082 1.00 12.67 ? 160 ASN   A CG   1 
ATOM   2779 O OD1  . ASN   A 1 160 ? -24.201 11.534  -33.308 1.00 16.66 ? 160 ASN   A OD1  1 
ATOM   2780 N ND2  . ASN   A 1 160 ? -25.260 11.810  -31.353 1.00 14.72 ? 160 ASN   A ND2  1 
ATOM   2781 H H    A ASN   A 1 160 ? -22.475 9.109   -32.453 0.59 8.24  ? 160 ASN   A H    1 
ATOM   2782 H H    B ASN   A 1 160 ? -22.388 9.067   -32.411 0.41 8.24  ? 160 ASN   A H    1 
ATOM   2783 H HA   . ASN   A 1 160 ? -21.700 11.607  -32.912 1.00 8.35  ? 160 ASN   A HA   1 
ATOM   2784 H HB2  . ASN   A 1 160 ? -23.100 10.485  -30.744 1.00 11.44 ? 160 ASN   A HB2  1 
ATOM   2785 H HB3  . ASN   A 1 160 ? -22.699 12.022  -30.775 1.00 11.44 ? 160 ASN   A HB3  1 
ATOM   2786 H HD21 . ASN   A 1 160 ? -26.006 11.995  -31.738 1.00 17.67 ? 160 ASN   A HD21 1 
ATOM   2787 H HD22 . ASN   A 1 160 ? -25.213 11.786  -30.495 1.00 17.67 ? 160 ASN   A HD22 1 
ATOM   2788 N N    . TYR   A 1 161 ? -19.727 9.889   -31.374 1.00 5.12  ? 161 TYR   A N    1 
ATOM   2789 C CA   . TYR   A 1 161 ? -18.488 9.818   -30.612 1.00 5.06  ? 161 TYR   A CA   1 
ATOM   2790 C C    . TYR   A 1 161 ? -17.361 9.289   -31.474 1.00 5.29  ? 161 TYR   A C    1 
ATOM   2791 O O    . TYR   A 1 161 ? -17.540 8.377   -32.276 1.00 8.41  ? 161 TYR   A O    1 
ATOM   2792 C CB   . TYR   A 1 161 ? -18.673 8.915   -29.385 1.00 6.09  ? 161 TYR   A CB   1 
ATOM   2793 C CG   . TYR   A 1 161 ? -19.613 9.505   -28.374 1.00 6.70  ? 161 TYR   A CG   1 
ATOM   2794 C CD1  . TYR   A 1 161 ? -20.983 9.349   -28.484 1.00 8.09  ? 161 TYR   A CD1  1 
ATOM   2795 C CD2  . TYR   A 1 161 ? -19.135 10.238  -27.303 1.00 7.92  ? 161 TYR   A CD2  1 
ATOM   2796 C CE1  . TYR   A 1 161 ? -21.830 9.918   -27.541 1.00 9.17  ? 161 TYR   A CE1  1 
ATOM   2797 C CE2  . TYR   A 1 161 ? -19.973 10.811  -26.372 1.00 9.90  ? 161 TYR   A CE2  1 
ATOM   2798 C CZ   . TYR   A 1 161 ? -21.317 10.646  -26.490 1.00 9.87  ? 161 TYR   A CZ   1 
ATOM   2799 O OH   . TYR   A 1 161 ? -22.192 11.218  -25.562 1.00 13.80 ? 161 TYR   A OH   1 
ATOM   2800 H H    . TYR   A 1 161 ? -19.927 9.155   -31.775 1.00 6.15  ? 161 TYR   A H    1 
ATOM   2801 H HA   . TYR   A 1 161 ? -18.233 10.708  -30.323 1.00 6.07  ? 161 TYR   A HA   1 
ATOM   2802 H HB2  . TYR   A 1 161 ? -19.035 8.062   -29.671 1.00 7.31  ? 161 TYR   A HB2  1 
ATOM   2803 H HB3  . TYR   A 1 161 ? -17.813 8.784   -28.956 1.00 7.31  ? 161 TYR   A HB3  1 
ATOM   2804 H HD1  . TYR   A 1 161 ? -21.338 8.861   -29.192 1.00 9.71  ? 161 TYR   A HD1  1 
ATOM   2805 H HD2  . TYR   A 1 161 ? -18.216 10.348  -27.208 1.00 9.51  ? 161 TYR   A HD2  1 
ATOM   2806 H HE1  . TYR   A 1 161 ? -22.750 9.807   -27.619 1.00 11.01 ? 161 TYR   A HE1  1 
ATOM   2807 H HE2  . TYR   A 1 161 ? -19.622 11.308  -25.668 1.00 11.88 ? 161 TYR   A HE2  1 
ATOM   2808 H HH   . TYR   A 1 161 ? -22.976 11.212  -25.864 1.00 16.56 ? 161 TYR   A HH   1 
ATOM   2809 N N    . TRP   A 1 162 ? -16.184 9.848   -31.272 1.00 4.60  ? 162 TRP   A N    1 
ATOM   2810 C CA   . TRP   A 1 162 ? -14.957 9.263   -31.766 1.00 4.65  ? 162 TRP   A CA   1 
ATOM   2811 C C    . TRP   A 1 162 ? -14.653 8.005   -30.986 1.00 4.08  ? 162 TRP   A C    1 
ATOM   2812 O O    . TRP   A 1 162 ? -15.028 7.863   -29.819 1.00 5.35  ? 162 TRP   A O    1 
ATOM   2813 C CB   . TRP   A 1 162 ? -13.806 10.246  -31.611 1.00 5.38  ? 162 TRP   A CB   1 
ATOM   2814 C CG   . TRP   A 1 162 ? -14.046 11.587  -32.247 1.00 5.13  ? 162 TRP   A CG   1 
ATOM   2815 C CD1  . TRP   A 1 162 ? -14.978 11.920  -33.213 1.00 4.99  ? 162 TRP   A CD1  1 
ATOM   2816 C CD2  . TRP   A 1 162 ? -13.331 12.785  -31.951 1.00 5.06  ? 162 TRP   A CD2  1 
ATOM   2817 N NE1  . TRP   A 1 162 ? -14.859 13.244  -33.525 1.00 5.25  ? 162 TRP   A NE1  1 
ATOM   2818 C CE2  . TRP   A 1 162 ? -13.866 13.798  -32.760 1.00 5.65  ? 162 TRP   A CE2  1 
ATOM   2819 C CE3  . TRP   A 1 162 ? -12.290 13.104  -31.070 1.00 6.56  ? 162 TRP   A CE3  1 
ATOM   2820 C CZ2  . TRP   A 1 162 ? -13.380 15.100  -32.736 1.00 6.03  ? 162 TRP   A CZ2  1 
ATOM   2821 C CZ3  . TRP   A 1 162 ? -11.828 14.397  -31.038 1.00 6.56  ? 162 TRP   A CZ3  1 
ATOM   2822 C CH2  . TRP   A 1 162 ? -12.367 15.381  -31.861 1.00 7.40  ? 162 TRP   A CH2  1 
ATOM   2823 H H    . TRP   A 1 162 ? -16.066 10.584  -30.841 1.00 5.52  ? 162 TRP   A H    1 
ATOM   2824 H HA   . TRP   A 1 162 ? -15.047 9.045   -32.706 1.00 5.58  ? 162 TRP   A HA   1 
ATOM   2825 H HB2  . TRP   A 1 162 ? -13.650 10.393  -30.665 1.00 6.46  ? 162 TRP   A HB2  1 
ATOM   2826 H HB3  . TRP   A 1 162 ? -13.015 9.863   -32.022 1.00 6.46  ? 162 TRP   A HB3  1 
ATOM   2827 H HD1  . TRP   A 1 162 ? -15.591 11.332  -33.592 1.00 5.99  ? 162 TRP   A HD1  1 
ATOM   2828 H HE1  . TRP   A 1 162 ? -15.331 13.663  -34.108 1.00 6.30  ? 162 TRP   A HE1  1 
ATOM   2829 H HE3  . TRP   A 1 162 ? -11.920 12.454  -30.518 1.00 7.87  ? 162 TRP   A HE3  1 
ATOM   2830 H HZ2  . TRP   A 1 162 ? -13.730 15.755  -33.294 1.00 7.24  ? 162 TRP   A HZ2  1 
ATOM   2831 H HZ3  . TRP   A 1 162 ? -11.140 14.620  -30.453 1.00 7.87  ? 162 TRP   A HZ3  1 
ATOM   2832 H HH2  . TRP   A 1 162 ? -12.032 16.247  -31.815 1.00 8.88  ? 162 TRP   A HH2  1 
ATOM   2833 N N    . MET   A 1 163 ? -13.888 7.110   -31.611 1.00 3.97  ? 163 MET   A N    1 
ATOM   2834 C CA   . MET   A 1 163 ? -13.343 5.958   -30.927 1.00 3.81  ? 163 MET   A CA   1 
ATOM   2835 C C    . MET   A 1 163 ? -11.829 6.096   -30.884 1.00 3.08  ? 163 MET   A C    1 
ATOM   2836 O O    . MET   A 1 163 ? -11.155 6.077   -31.926 1.00 4.10  ? 163 MET   A O    1 
ATOM   2837 C CB   . MET   A 1 163 ? -13.735 4.647   -31.583 1.00 4.52  ? 163 MET   A CB   1 
ATOM   2838 C CG   . MET   A 1 163 ? -13.446 3.459   -30.665 1.00 5.49  ? 163 MET   A CG   1 
ATOM   2839 S SD   . MET   A 1 163 ? -14.562 3.378   -29.251 1.00 5.87  ? 163 MET   A SD   1 
ATOM   2840 C CE   . MET   A 1 163 ? -15.960 2.602   -30.056 1.00 8.32  ? 163 MET   A CE   1 
ATOM   2841 H H    . MET   A 1 163 ? -13.674 7.157   -32.442 1.00 4.77  ? 163 MET   A H    1 
ATOM   2842 H HA   . MET   A 1 163 ? -13.704 5.942   -30.026 1.00 4.57  ? 163 MET   A HA   1 
ATOM   2843 H HB2  . MET   A 1 163 ? -14.685 4.658   -31.780 1.00 5.43  ? 163 MET   A HB2  1 
ATOM   2844 H HB3  . MET   A 1 163 ? -13.228 4.533   -32.401 1.00 5.43  ? 163 MET   A HB3  1 
ATOM   2845 H HG2  . MET   A 1 163 ? -13.543 2.638   -31.171 1.00 6.59  ? 163 MET   A HG2  1 
ATOM   2846 H HG3  . MET   A 1 163 ? -12.540 3.535   -30.327 1.00 6.59  ? 163 MET   A HG3  1 
ATOM   2847 H HE1  . MET   A 1 163 ? -16.724 2.631   -29.460 1.00 9.99  ? 163 MET   A HE1  1 
ATOM   2848 H HE2  . MET   A 1 163 ? -16.160 3.082   -30.875 1.00 9.99  ? 163 MET   A HE2  1 
ATOM   2849 H HE3  . MET   A 1 163 ? -15.735 1.680   -30.260 1.00 9.99  ? 163 MET   A HE3  1 
ATOM   2850 N N    . HIS   A 1 164 ? -11.295 6.226   -29.673 1.00 3.20  ? 164 HIS   A N    1 
ATOM   2851 C CA   . HIS   A 1 164 ? -9.868  6.167   -29.396 1.00 3.21  ? 164 HIS   A CA   1 
ATOM   2852 C C    . HIS   A 1 164 ? -9.446  4.722   -29.225 1.00 2.87  ? 164 HIS   A C    1 
ATOM   2853 O O    . HIS   A 1 164 ? -10.217 3.880   -28.757 1.00 3.55  ? 164 HIS   A O    1 
ATOM   2854 C CB   . HIS   A 1 164 ? -9.548  6.872   -28.078 1.00 3.34  ? 164 HIS   A CB   1 
ATOM   2855 C CG   . HIS   A 1 164 ? -9.720  8.346   -28.080 1.00 3.46  ? 164 HIS   A CG   1 
ATOM   2856 N ND1  . HIS   A 1 164 ? -8.851  9.194   -28.740 1.00 4.40  ? 164 HIS   A ND1  1 
ATOM   2857 C CD2  . HIS   A 1 164 ? -10.620 9.117   -27.420 1.00 4.28  ? 164 HIS   A CD2  1 
ATOM   2858 C CE1  . HIS   A 1 164 ? -9.261  10.428  -28.522 1.00 4.80  ? 164 HIS   A CE1  1 
ATOM   2859 N NE2  . HIS   A 1 164 ? -10.306 10.416  -27.705 1.00 4.42  ? 164 HIS   A NE2  1 
ATOM   2860 H H    . HIS   A 1 164 ? -11.763 6.355   -28.963 1.00 3.84  ? 164 HIS   A H    1 
ATOM   2861 H HA   . HIS   A 1 164 ? -9.387  6.587   -30.126 1.00 3.85  ? 164 HIS   A HA   1 
ATOM   2862 H HB2  . HIS   A 1 164 ? -10.133 6.514   -27.392 1.00 4.01  ? 164 HIS   A HB2  1 
ATOM   2863 H HB3  . HIS   A 1 164 ? -8.622  6.690   -27.853 1.00 4.01  ? 164 HIS   A HB3  1 
ATOM   2864 H HD2  . HIS   A 1 164 ? -11.316 8.819   -26.879 1.00 5.14  ? 164 HIS   A HD2  1 
ATOM   2865 H HE1  . HIS   A 1 164 ? -8.876  11.192  -28.886 1.00 5.75  ? 164 HIS   A HE1  1 
ATOM   2866 H HE2  . HIS   A 1 164 ? -10.717 11.109  -27.405 1.00 5.31  ? 164 HIS   A HE2  1 
ATOM   2867 N N    . TRP   A 1 165 ? -8.173  4.461   -29.535 1.00 2.86  ? 165 TRP   A N    1 
ATOM   2868 C CA   A TRP   A 1 165 ? -7.532  3.199   -29.231 0.46 3.08  ? 165 TRP   A CA   1 
ATOM   2869 C CA   B TRP   A 1 165 ? -7.504  3.198   -29.260 0.54 3.40  ? 165 TRP   A CA   1 
ATOM   2870 C C    . TRP   A 1 165 ? -6.254  3.484   -28.447 1.00 2.63  ? 165 TRP   A C    1 
ATOM   2871 O O    . TRP   A 1 165 ? -5.549  4.456   -28.715 1.00 3.07  ? 165 TRP   A O    1 
ATOM   2872 C CB   A TRP   A 1 165 ? -7.277  2.408   -30.508 0.46 2.84  ? 165 TRP   A CB   1 
ATOM   2873 C CB   B TRP   A 1 165 ? -7.126  2.477   -30.544 0.54 3.94  ? 165 TRP   A CB   1 
ATOM   2874 C CG   A TRP   A 1 165 ? -8.528  1.981   -31.249 0.46 1.73  ? 165 TRP   A CG   1 
ATOM   2875 C CG   B TRP   A 1 165 ? -8.291  1.932   -31.255 0.54 5.19  ? 165 TRP   A CG   1 
ATOM   2876 C CD1  A TRP   A 1 165 ? -9.242  2.709   -32.155 0.46 3.66  ? 165 TRP   A CD1  1 
ATOM   2877 C CD1  B TRP   A 1 165 ? -9.050  2.574   -32.178 0.54 5.79  ? 165 TRP   A CD1  1 
ATOM   2878 C CD2  A TRP   A 1 165 ? -9.174  0.707   -31.163 0.46 1.69  ? 165 TRP   A CD2  1 
ATOM   2879 C CD2  B TRP   A 1 165 ? -8.840  0.616   -31.120 0.54 5.41  ? 165 TRP   A CD2  1 
ATOM   2880 N NE1  A TRP   A 1 165 ? -10.295 1.962   -32.640 0.46 2.91  ? 165 TRP   A NE1  1 
ATOM   2881 N NE1  B TRP   A 1 165 ? -10.048 1.743   -32.632 0.54 6.20  ? 165 TRP   A NE1  1 
ATOM   2882 C CE2  A TRP   A 1 165 ? -10.271 0.730   -32.053 0.46 2.46  ? 165 TRP   A CE2  1 
ATOM   2883 C CE2  B TRP   A 1 165 ? -9.938  0.535   -32.002 0.54 5.61  ? 165 TRP   A CE2  1 
ATOM   2884 C CE3  A TRP   A 1 165 ? -8.934  -0.446  -30.421 0.46 1.71  ? 165 TRP   A CE3  1 
ATOM   2885 C CE3  B TRP   A 1 165 ? -8.526  -0.489  -30.333 0.54 5.34  ? 165 TRP   A CE3  1 
ATOM   2886 C CZ2  A TRP   A 1 165 ? -11.107 -0.370  -32.240 0.46 4.03  ? 165 TRP   A CZ2  1 
ATOM   2887 C CZ2  B TRP   A 1 165 ? -10.703 -0.618  -32.142 0.54 6.02  ? 165 TRP   A CZ2  1 
ATOM   2888 C CZ3  A TRP   A 1 165 ? -9.777  -1.536  -30.599 0.46 3.55  ? 165 TRP   A CZ3  1 
ATOM   2889 C CZ3  B TRP   A 1 165 ? -9.270  -1.630  -30.481 0.54 5.48  ? 165 TRP   A CZ3  1 
ATOM   2890 C CH2  A TRP   A 1 165 ? -10.838 -1.493  -31.519 0.46 4.04  ? 165 TRP   A CH2  1 
ATOM   2891 C CH2  B TRP   A 1 165 ? -10.357 -1.686  -31.375 0.54 5.18  ? 165 TRP   A CH2  1 
ATOM   2892 H H    A TRP   A 1 165 ? -7.655  5.020   -29.933 0.46 3.43  ? 165 TRP   A H    1 
ATOM   2893 H H    B TRP   A 1 165 ? -7.658  5.029   -29.924 0.54 3.43  ? 165 TRP   A H    1 
ATOM   2894 H HA   A TRP   A 1 165 ? -8.087  2.638   -28.667 0.46 3.70  ? 165 TRP   A HA   1 
ATOM   2895 H HA   B TRP   A 1 165 ? -8.091  2.615   -28.755 0.54 4.08  ? 165 TRP   A HA   1 
ATOM   2896 H HB2  A TRP   A 1 165 ? -6.754  2.958   -31.111 0.46 3.41  ? 165 TRP   A HB2  1 
ATOM   2897 H HB2  B TRP   A 1 165 ? -6.678  3.102   -31.137 0.54 4.73  ? 165 TRP   A HB2  1 
ATOM   2898 H HB3  A TRP   A 1 165 ? -6.784  1.605   -30.279 0.46 3.41  ? 165 TRP   A HB3  1 
ATOM   2899 H HB3  B TRP   A 1 165 ? -6.533  1.740   -30.329 0.54 4.73  ? 165 TRP   A HB3  1 
ATOM   2900 H HD1  A TRP   A 1 165 ? -9.047  3.582   -32.409 0.46 4.39  ? 165 TRP   A HD1  1 
ATOM   2901 H HD1  B TRP   A 1 165 ? -8.915  3.449   -32.463 0.54 6.95  ? 165 TRP   A HD1  1 
ATOM   2902 H HE1  A TRP   A 1 165 ? -10.873 2.229   -33.219 0.46 3.49  ? 165 TRP   A HE1  1 
ATOM   2903 H HE1  B TRP   A 1 165 ? -10.644 1.949   -33.216 0.54 7.43  ? 165 TRP   A HE1  1 
ATOM   2904 H HE3  A TRP   A 1 165 ? -8.226  -0.485  -29.821 0.46 2.05  ? 165 TRP   A HE3  1 
ATOM   2905 H HE3  B TRP   A 1 165 ? -7.826  -0.453  -29.721 0.54 6.41  ? 165 TRP   A HE3  1 
ATOM   2906 H HZ2  A TRP   A 1 165 ? -11.821 -0.338  -32.835 0.46 4.84  ? 165 TRP   A HZ2  1 
ATOM   2907 H HZ2  B TRP   A 1 165 ? -11.420 -0.657  -32.734 0.54 7.22  ? 165 TRP   A HZ2  1 
ATOM   2908 H HZ3  A TRP   A 1 165 ? -9.637  -2.308  -30.100 0.46 4.26  ? 165 TRP   A HZ3  1 
ATOM   2909 H HZ3  B TRP   A 1 165 ? -9.054  -2.384  -29.980 0.54 6.58  ? 165 TRP   A HZ3  1 
ATOM   2910 H HH2  A TRP   A 1 165 ? -11.368 -2.248  -31.638 0.46 4.84  ? 165 TRP   A HH2  1 
ATOM   2911 H HH2  B TRP   A 1 165 ? -10.849 -2.473  -31.443 0.54 6.22  ? 165 TRP   A HH2  1 
ATOM   2912 N N    . VAL   A 1 166 ? -5.987  2.623   -27.465 1.00 2.77  ? 166 VAL   A N    1 
ATOM   2913 C CA   . VAL   A 1 166 ? -4.917  2.788   -26.491 1.00 3.33  ? 166 VAL   A CA   1 
ATOM   2914 C C    . VAL   A 1 166 ? -4.343  1.405   -26.214 1.00 3.06  ? 166 VAL   A C    1 
ATOM   2915 O O    . VAL   A 1 166 ? -5.058  0.406   -26.270 1.00 4.45  ? 166 VAL   A O    1 
ATOM   2916 C CB   . VAL   A 1 166 ? -5.470  3.408   -25.185 1.00 4.07  ? 166 VAL   A CB   1 
ATOM   2917 C CG1  . VAL   A 1 166 ? -4.412  3.580   -24.122 1.00 7.19  ? 166 VAL   A CG1  1 
ATOM   2918 C CG2  . VAL   A 1 166 ? -6.182  4.713   -25.449 1.00 5.08  ? 166 VAL   A CG2  1 
ATOM   2919 H H    . VAL   A 1 166 ? -6.436  1.900   -27.339 1.00 3.32  ? 166 VAL   A H    1 
ATOM   2920 H HA   . VAL   A 1 166 ? -4.215  3.359   -26.839 1.00 4.00  ? 166 VAL   A HA   1 
ATOM   2921 H HB   . VAL   A 1 166 ? -6.117  2.776   -24.834 1.00 4.89  ? 166 VAL   A HB   1 
ATOM   2922 H HG11 . VAL   A 1 166 ? -4.798  4.049   -23.365 1.00 8.63  ? 166 VAL   A HG11 1 
ATOM   2923 H HG12 . VAL   A 1 166 ? -4.098  2.705   -23.844 1.00 8.63  ? 166 VAL   A HG12 1 
ATOM   2924 H HG13 . VAL   A 1 166 ? -3.676  4.094   -24.488 1.00 8.63  ? 166 VAL   A HG13 1 
ATOM   2925 H HG21 . VAL   A 1 166 ? -6.387  5.137   -24.601 1.00 6.09  ? 166 VAL   A HG21 1 
ATOM   2926 H HG22 . VAL   A 1 166 ? -5.604  5.288   -25.975 1.00 6.09  ? 166 VAL   A HG22 1 
ATOM   2927 H HG23 . VAL   A 1 166 ? -7.002  4.533   -25.936 1.00 6.09  ? 166 VAL   A HG23 1 
ATOM   2928 N N    . THR   A 1 167 ? -3.057  1.311   -25.879 1.00 3.59  ? 167 THR   A N    1 
ATOM   2929 C CA   . THR   A 1 167 ? -2.481  0.044   -25.467 1.00 3.33  ? 167 THR   A CA   1 
ATOM   2930 C C    . THR   A 1 167 ? -1.728  0.174   -24.157 1.00 3.41  ? 167 THR   A C    1 
ATOM   2931 O O    . THR   A 1 167 ? -1.199  1.230   -23.817 1.00 4.19  ? 167 THR   A O    1 
ATOM   2932 C CB   . THR   A 1 167 ? -1.588  -0.544  -26.574 1.00 4.34  ? 167 THR   A CB   1 
ATOM   2933 O OG1  . THR   A 1 167 ? -1.137  -1.835  -26.201 1.00 5.06  ? 167 THR   A OG1  1 
ATOM   2934 C CG2  . THR   A 1 167 ? -0.391  0.299   -26.893 1.00 6.31  ? 167 THR   A CG2  1 
ATOM   2935 H H    . THR   A 1 167 ? -2.503  1.970   -25.884 1.00 4.31  ? 167 THR   A H    1 
ATOM   2936 H HA   . THR   A 1 167 ? -3.197  -0.587  -25.292 1.00 4.00  ? 167 THR   A HA   1 
ATOM   2937 H HB   . THR   A 1 167 ? -2.131  -0.584  -27.377 1.00 5.20  ? 167 THR   A HB   1 
ATOM   2938 H HG1  . THR   A 1 167 ? -1.793  -2.350  -26.097 1.00 6.07  ? 167 THR   A HG1  1 
ATOM   2939 H HG21 . THR   A 1 167 ? 0.082   -0.071  -27.656 1.00 7.57  ? 167 THR   A HG21 1 
ATOM   2940 H HG22 . THR   A 1 167 ? -0.668  1.204   -27.104 1.00 7.57  ? 167 THR   A HG22 1 
ATOM   2941 H HG23 . THR   A 1 167 ? 0.211   0.323   -26.132 1.00 7.57  ? 167 THR   A HG23 1 
ATOM   2942 N N    . GLN   A 1 168 ? -1.655  -0.941  -23.440 1.00 3.63  ? 168 GLN   A N    1 
ATOM   2943 C CA   . GLN   A 1 168 ? -0.843  -1.088  -22.235 1.00 3.77  ? 168 GLN   A CA   1 
ATOM   2944 C C    . GLN   A 1 168 ? -0.035  -2.363  -22.386 1.00 4.18  ? 168 GLN   A C    1 
ATOM   2945 O O    . GLN   A 1 168 ? -0.586  -3.466  -22.415 1.00 4.78  ? 168 GLN   A O    1 
ATOM   2946 C CB   . GLN   A 1 168 ? -1.714  -1.163  -20.995 1.00 5.24  ? 168 GLN   A CB   1 
ATOM   2947 C CG   . GLN   A 1 168 ? -0.929  -1.351  -19.710 1.00 5.68  ? 168 GLN   A CG   1 
ATOM   2948 C CD   . GLN   A 1 168 ? -1.813  -1.082  -18.510 1.00 6.34  ? 168 GLN   A CD   1 
ATOM   2949 O OE1  . GLN   A 1 168 ? -2.803  -1.760  -18.321 1.00 9.20  ? 168 GLN   A OE1  1 
ATOM   2950 N NE2  . GLN   A 1 168 ? -1.473  -0.110  -17.704 1.00 7.64  ? 168 GLN   A NE2  1 
ATOM   2951 H H    . GLN   A 1 168 ? -2.085  -1.659  -23.640 1.00 4.35  ? 168 GLN   A H    1 
ATOM   2952 H HA   . GLN   A 1 168 ? -0.244  -0.331  -22.147 1.00 4.52  ? 168 GLN   A HA   1 
ATOM   2953 H HB2  . GLN   A 1 168 ? -2.217  -0.338  -20.916 1.00 6.29  ? 168 GLN   A HB2  1 
ATOM   2954 H HB3  . GLN   A 1 168 ? -2.321  -1.915  -21.084 1.00 6.29  ? 168 GLN   A HB3  1 
ATOM   2955 H HG2  . GLN   A 1 168 ? -0.604  -2.264  -19.658 1.00 6.82  ? 168 GLN   A HG2  1 
ATOM   2956 H HG3  . GLN   A 1 168 ? -0.182  -0.732  -19.691 1.00 6.82  ? 168 GLN   A HG3  1 
ATOM   2957 H HE21 . GLN   A 1 168 ? -0.767  0.354   -17.863 1.00 9.17  ? 168 GLN   A HE21 1 
ATOM   2958 H HE22 . GLN   A 1 168 ? -1.957  0.065   -17.014 1.00 9.17  ? 168 GLN   A HE22 1 
ATOM   2959 N N    . ARG   A 1 169 ? 1.289   -2.218  -22.520 1.00 5.05  ? 169 ARG   A N    1 
ATOM   2960 C CA   . ARG   A 1 169 ? 2.171   -3.370  -22.598 1.00 5.69  ? 169 ARG   A CA   1 
ATOM   2961 C C    . ARG   A 1 169 ? 2.377   -3.931  -21.198 1.00 5.70  ? 169 ARG   A C    1 
ATOM   2962 O O    . ARG   A 1 169 ? 2.130   -3.253  -20.200 1.00 6.78  ? 169 ARG   A O    1 
ATOM   2963 C CB   . ARG   A 1 169 ? 3.507   -3.091  -23.272 1.00 6.96  ? 169 ARG   A CB   1 
ATOM   2964 C CG   . ARG   A 1 169 ? 3.406   -2.330  -24.577 1.00 7.25  ? 169 ARG   A CG   1 
ATOM   2965 C CD   . ARG   A 1 169 ? 4.748   -1.814  -25.141 1.00 7.08  ? 169 ARG   A CD   1 
ATOM   2966 N NE   . ARG   A 1 169 ? 4.517   -0.785  -26.143 1.00 6.66  ? 169 ARG   A NE   1 
ATOM   2967 C CZ   . ARG   A 1 169 ? 4.174   -0.956  -27.412 1.00 7.01  ? 169 ARG   A CZ   1 
ATOM   2968 N NH1  . ARG   A 1 169 ? 4.230   -2.136  -28.007 1.00 9.58  ? 169 ARG   A NH1  1 
ATOM   2969 N NH2  . ARG   A 1 169 ? 3.735   0.091   -28.091 1.00 7.57  ? 169 ARG   A NH2  1 
ATOM   2970 H H    . ARG   A 1 169 ? 1.693   -1.460  -22.566 1.00 6.06  ? 169 ARG   A H    1 
ATOM   2971 H HA   . ARG   A 1 169 ? 1.755   -4.033  -23.171 1.00 6.83  ? 169 ARG   A HA   1 
ATOM   2972 H HB2  . ARG   A 1 169 ? 4.054   -2.565  -22.668 1.00 8.35  ? 169 ARG   A HB2  1 
ATOM   2973 H HB3  . ARG   A 1 169 ? 3.941   -3.939  -23.459 1.00 8.35  ? 169 ARG   A HB3  1 
ATOM   2974 H HG2  . ARG   A 1 169 ? 3.018   -2.916  -25.245 1.00 8.69  ? 169 ARG   A HG2  1 
ATOM   2975 H HG3  . ARG   A 1 169 ? 2.834   -1.559  -24.439 1.00 8.69  ? 169 ARG   A HG3  1 
ATOM   2976 H HD2  . ARG   A 1 169 ? 5.277   -1.433  -24.424 1.00 8.50  ? 169 ARG   A HD2  1 
ATOM   2977 H HD3  . ARG   A 1 169 ? 5.229   -2.546  -25.556 1.00 8.50  ? 169 ARG   A HD3  1 
ATOM   2978 H HE   . ARG   A 1 169 ? 4.616   0.029   -25.883 1.00 7.99  ? 169 ARG   A HE   1 
ATOM   2979 H HH11 . ARG   A 1 169 ? 4.497   -2.827  -27.570 1.00 11.49 ? 169 ARG   A HH11 1 
ATOM   2980 H HH12 . ARG   A 1 169 ? 3.999   -2.212  -28.832 1.00 11.49 ? 169 ARG   A HH12 1 
ATOM   2981 H HH21 . ARG   A 1 169 ? 3.679   0.859   -27.708 1.00 9.09  ? 169 ARG   A HH21 1 
ATOM   2982 H HH22 . ARG   A 1 169 ? 3.506   0.004   -28.915 1.00 9.09  ? 169 ARG   A HH22 1 
ATOM   2983 N N    . PRO   A 1 170 ? 2.776   -5.195  -21.093 1.00 7.12  ? 170 PRO   A N    1 
ATOM   2984 C CA   . PRO   A 1 170 ? 2.737   -5.868  -19.789 1.00 7.83  ? 170 PRO   A CA   1 
ATOM   2985 C C    . PRO   A 1 170 ? 3.570   -5.151  -18.743 1.00 8.71  ? 170 PRO   A C    1 
ATOM   2986 O O    . PRO   A 1 170 ? 4.764   -4.904  -18.928 1.00 9.70  ? 170 PRO   A O    1 
ATOM   2987 C CB   . PRO   A 1 170 ? 3.265   -7.269  -20.097 1.00 9.76  ? 170 PRO   A CB   1 
ATOM   2988 C CG   . PRO   A 1 170 ? 2.896   -7.488  -21.517 1.00 10.50 ? 170 PRO   A CG   1 
ATOM   2989 C CD   . PRO   A 1 170 ? 3.087   -6.142  -22.179 1.00 8.21  ? 170 PRO   A CD   1 
ATOM   2990 H HA   . PRO   A 1 170 ? 1.823   -5.927  -19.469 1.00 9.40  ? 170 PRO   A HA   1 
ATOM   2991 H HB2  . PRO   A 1 170 ? 4.227   -7.297  -19.976 1.00 11.72 ? 170 PRO   A HB2  1 
ATOM   2992 H HB3  . PRO   A 1 170 ? 2.839   -7.921  -19.519 1.00 11.72 ? 170 PRO   A HB3  1 
ATOM   2993 H HG2  . PRO   A 1 170 ? 3.480   -8.155  -21.912 1.00 12.60 ? 170 PRO   A HG2  1 
ATOM   2994 H HG3  . PRO   A 1 170 ? 1.972   -7.778  -21.579 1.00 12.60 ? 170 PRO   A HG3  1 
ATOM   2995 H HD2  . PRO   A 1 170 ? 4.001   -6.032  -22.484 1.00 9.85  ? 170 PRO   A HD2  1 
ATOM   2996 H HD3  . PRO   A 1 170 ? 2.473   -6.031  -22.922 1.00 9.85  ? 170 PRO   A HD3  1 
ATOM   2997 N N    . GLY   A 1 171 ? 2.926   -4.829  -17.620 1.00 8.36  ? 171 GLY   A N    1 
ATOM   2998 C CA   . GLY   A 1 171 ? 3.555   -4.144  -16.513 1.00 9.97  ? 171 GLY   A CA   1 
ATOM   2999 C C    . GLY   A 1 171 ? 3.836   -2.672  -16.706 1.00 8.15  ? 171 GLY   A C    1 
ATOM   3000 O O    . GLY   A 1 171 ? 4.449   -2.059  -15.822 1.00 11.15 ? 171 GLY   A O    1 
ATOM   3001 H H    . GLY   A 1 171 ? 2.096   -5.006  -17.479 1.00 10.03 ? 171 GLY   A H    1 
ATOM   3002 H HA2  . GLY   A 1 171 ? 2.980   -4.229  -15.736 1.00 11.97 ? 171 GLY   A HA2  1 
ATOM   3003 H HA3  . GLY   A 1 171 ? 4.402   -4.578  -16.328 1.00 11.97 ? 171 GLY   A HA3  1 
ATOM   3004 N N    . ARG   A 1 172 ? 3.418   -2.082  -17.827 1.00 7.79  ? 172 ARG   A N    1 
ATOM   3005 C CA   . ARG   A 1 172 ? 3.815   -0.720  -18.178 1.00 6.98  ? 172 ARG   A CA   1 
ATOM   3006 C C    . ARG   A 1 172 ? 2.603   0.209   -18.245 1.00 6.98  ? 172 ARG   A C    1 
ATOM   3007 O O    . ARG   A 1 172 ? 1.544   -0.109  -17.676 1.00 8.55  ? 172 ARG   A O    1 
ATOM   3008 C CB   . ARG   A 1 172 ? 4.684   -0.791  -19.412 1.00 7.49  ? 172 ARG   A CB   1 
ATOM   3009 C CG   . ARG   A 1 172 ? 6.005   -1.545  -19.053 1.00 9.02  ? 172 ARG   A CG   1 
ATOM   3010 C CD   . ARG   A 1 172 ? 6.584   -2.378  -20.177 1.00 9.40  ? 172 ARG   A CD   1 
ATOM   3011 N NE   . ARG   A 1 172 ? 7.171   -1.544  -21.208 1.00 8.96  ? 172 ARG   A NE   1 
ATOM   3012 C CZ   . ARG   A 1 172 ? 7.509   -1.990  -22.410 1.00 7.41  ? 172 ARG   A CZ   1 
ATOM   3013 N NH1  . ARG   A 1 172 ? 7.220   -3.227  -22.784 1.00 9.37  ? 172 ARG   A NH1  1 
ATOM   3014 N NH2  . ARG   A 1 172 ? 8.100   -1.155  -23.270 1.00 7.25  ? 172 ARG   A NH2  1 
ATOM   3015 H H    . ARG   A 1 172 ? 2.900   -2.453  -18.404 1.00 9.35  ? 172 ARG   A H    1 
ATOM   3016 H HA   . ARG   A 1 172 ? 4.362   -0.296  -17.499 1.00 8.38  ? 172 ARG   A HA   1 
ATOM   3017 H HB2  . ARG   A 1 172 ? 4.223   -1.276  -20.114 1.00 8.99  ? 172 ARG   A HB2  1 
ATOM   3018 H HB3  . ARG   A 1 172 ? 4.902   0.104   -19.715 1.00 8.99  ? 172 ARG   A HB3  1 
ATOM   3019 H HG2  . ARG   A 1 172 ? 6.675   -0.890  -18.800 1.00 10.83 ? 172 ARG   A HG2  1 
ATOM   3020 H HG3  . ARG   A 1 172 ? 5.827   -2.142  -18.309 1.00 10.83 ? 172 ARG   A HG3  1 
ATOM   3021 H HD2  . ARG   A 1 172 ? 7.276   -2.958  -19.823 1.00 11.28 ? 172 ARG   A HD2  1 
ATOM   3022 H HD3  . ARG   A 1 172 ? 5.879   -2.909  -20.579 1.00 11.28 ? 172 ARG   A HD3  1 
ATOM   3023 H HE   . ARG   A 1 172 ? 7.307   -0.714  -21.030 1.00 10.75 ? 172 ARG   A HE   1 
ATOM   3024 H HH11 . ARG   A 1 172 ? 6.806   -3.754  -22.245 1.00 11.24 ? 172 ARG   A HH11 1 
ATOM   3025 H HH12 . ARG   A 1 172 ? 7.445   -3.503  -23.567 1.00 11.24 ? 172 ARG   A HH12 1 
ATOM   3026 H HH21 . ARG   A 1 172 ? 8.255   -0.341  -23.041 1.00 8.69  ? 172 ARG   A HH21 1 
ATOM   3027 H HH22 . ARG   A 1 172 ? 8.324   -1.432  -24.053 1.00 8.69  ? 172 ARG   A HH22 1 
ATOM   3028 N N    . GLY   A 1 173 ? 2.750   1.374   -18.869 1.00 6.27  ? 173 GLY   A N    1 
ATOM   3029 C CA   . GLY   A 1 173 ? 1.731   2.409   -18.866 1.00 6.70  ? 173 GLY   A CA   1 
ATOM   3030 C C    . GLY   A 1 173 ? 0.857   2.396   -20.111 1.00 6.09  ? 173 GLY   A C    1 
ATOM   3031 O O    . GLY   A 1 173 ? 0.843   1.439   -20.899 1.00 8.54  ? 173 GLY   A O    1 
ATOM   3032 H H    . GLY   A 1 173 ? 3.453   1.591   -19.314 1.00 7.53  ? 173 GLY   A H    1 
ATOM   3033 H HA2  . GLY   A 1 173 ? 1.157   2.287   -18.094 1.00 8.03  ? 173 GLY   A HA2  1 
ATOM   3034 H HA3  . GLY   A 1 173 ? 2.160   3.277   -18.807 1.00 8.03  ? 173 GLY   A HA3  1 
ATOM   3035 N N    . LEU   A 1 174 ? 0.172   3.487   -20.344 1.00 8.11  ? 174 LEU   A N    1 
ATOM   3036 C CA   . LEU   A 1 174 ? -0.750  3.616   -21.459 1.00 5.95  ? 174 LEU   A CA   1 
ATOM   3037 C C    . LEU   A 1 174 ? -0.085  4.366   -22.594 1.00 4.41  ? 174 LEU   A C    1 
ATOM   3038 O O    . LEU   A 1 174 ? 0.638   5.334   -22.370 1.00 6.26  ? 174 LEU   A O    1 
ATOM   3039 C CB   . LEU   A 1 174 ? -1.999  4.411   -21.041 1.00 6.30  ? 174 LEU   A CB   1 
ATOM   3040 C CG   . LEU   A 1 174 ? -2.949  3.725   -20.077 1.00 8.14  ? 174 LEU   A CG   1 
ATOM   3041 C CD1  . LEU   A 1 174 ? -4.006  4.700   -19.676 1.00 7.88  ? 174 LEU   A CD1  1 
ATOM   3042 C CD2  . LEU   A 1 174 ? -3.549  2.497   -20.752 1.00 9.75  ? 174 LEU   A CD2  1 
ATOM   3043 H H    . LEU   A 1 174 ? 0.220   4.194   -19.857 1.00 9.73  ? 174 LEU   A H    1 
ATOM   3044 H HA   . LEU   A 1 174 ? -1.009  2.730   -21.757 1.00 7.14  ? 174 LEU   A HA   1 
ATOM   3045 H HB2  . LEU   A 1 174 ? -1.704  5.232   -20.616 1.00 7.56  ? 174 LEU   A HB2  1 
ATOM   3046 H HB3  . LEU   A 1 174 ? -2.505  4.617   -21.843 1.00 7.56  ? 174 LEU   A HB3  1 
ATOM   3047 H HG   . LEU   A 1 174 ? -2.489  3.427   -19.277 1.00 9.77  ? 174 LEU   A HG   1 
ATOM   3048 H HD11 . LEU   A 1 174 ? -4.655  4.249   -19.113 1.00 9.45  ? 174 LEU   A HD11 1 
ATOM   3049 H HD12 . LEU   A 1 174 ? -3.593  5.429   -19.186 1.00 9.45  ? 174 LEU   A HD12 1 
ATOM   3050 H HD13 . LEU   A 1 174 ? -4.440  5.042   -20.473 1.00 9.45  ? 174 LEU   A HD13 1 
ATOM   3051 H HD21 . LEU   A 1 174 ? -4.190  2.087   -20.151 1.00 11.70 ? 174 LEU   A HD21 1 
ATOM   3052 H HD22 . LEU   A 1 174 ? -3.991  2.770   -21.571 1.00 11.70 ? 174 LEU   A HD22 1 
ATOM   3053 H HD23 . LEU   A 1 174 ? -2.837  1.869   -20.955 1.00 11.70 ? 174 LEU   A HD23 1 
ATOM   3054 N N    . GLU   A 1 175 ? -0.422  3.968   -23.816 1.00 4.03  ? 175 GLU   A N    1 
ATOM   3055 C CA   . GLU   A 1 175 ? 0.086   4.598   -25.031 1.00 3.91  ? 175 GLU   A CA   1 
ATOM   3056 C C    . GLU   A 1 175 ? -1.085  4.834   -25.978 1.00 3.53  ? 175 GLU   A C    1 
ATOM   3057 O O    . GLU   A 1 175 ? -1.809  3.892   -26.314 1.00 4.97  ? 175 GLU   A O    1 
ATOM   3058 C CB   . GLU   A 1 175 ? 1.133   3.708   -25.717 1.00 4.74  ? 175 GLU   A CB   1 
ATOM   3059 C CG   . GLU   A 1 175 ? 2.220   3.213   -24.771 1.00 5.39  ? 175 GLU   A CG   1 
ATOM   3060 C CD   . GLU   A 1 175 ? 3.220   2.292   -25.427 1.00 5.55  ? 175 GLU   A CD   1 
ATOM   3061 O OE1  . GLU   A 1 175 ? 3.625   2.550   -26.576 1.00 6.27  ? 175 GLU   A OE1  1 
ATOM   3062 O OE2  . GLU   A 1 175 ? 3.661   1.334   -24.759 1.00 6.67  ? 175 GLU   A OE2  1 
ATOM   3063 H H    . GLU   A 1 175 ? -0.960  3.315   -23.972 1.00 4.83  ? 175 GLU   A H    1 
ATOM   3064 H HA   . GLU   A 1 175 ? 0.492   5.450   -24.806 1.00 4.69  ? 175 GLU   A HA   1 
ATOM   3065 H HB2  . GLU   A 1 175 ? 0.687   2.931   -26.091 1.00 5.69  ? 175 GLU   A HB2  1 
ATOM   3066 H HB3  . GLU   A 1 175 ? 1.561   4.216   -26.423 1.00 5.69  ? 175 GLU   A HB3  1 
ATOM   3067 H HG2  . GLU   A 1 175 ? 2.705   3.978   -24.425 1.00 6.46  ? 175 GLU   A HG2  1 
ATOM   3068 H HG3  . GLU   A 1 175 ? 1.803   2.727   -24.043 1.00 6.46  ? 175 GLU   A HG3  1 
ATOM   3069 N N    . TRP   A 1 176 ? -1.272  6.066   -26.413 1.00 3.63  ? 176 TRP   A N    1 
ATOM   3070 C CA   . TRP   A 1 176 ? -2.361  6.375   -27.344 1.00 3.35  ? 176 TRP   A CA   1 
ATOM   3071 C C    . TRP   A 1 176 ? -1.991  5.945   -28.757 1.00 3.31  ? 176 TRP   A C    1 
ATOM   3072 O O    . TRP   A 1 176 ? -0.889  6.254   -29.235 1.00 4.21  ? 176 TRP   A O    1 
ATOM   3073 C CB   . TRP   A 1 176 ? -2.639  7.858   -27.330 1.00 4.05  ? 176 TRP   A CB   1 
ATOM   3074 C CG   . TRP   A 1 176 ? -3.809  8.289   -28.138 1.00 3.73  ? 176 TRP   A CG   1 
ATOM   3075 C CD1  . TRP   A 1 176 ? -5.141  8.100   -27.838 1.00 4.42  ? 176 TRP   A CD1  1 
ATOM   3076 C CD2  . TRP   A 1 176 ? -3.786  9.039   -29.360 1.00 3.40  ? 176 TRP   A CD2  1 
ATOM   3077 N NE1  . TRP   A 1 176 ? -5.931  8.659   -28.796 1.00 4.04  ? 176 TRP   A NE1  1 
ATOM   3078 C CE2  . TRP   A 1 176 ? -5.130  9.256   -29.737 1.00 4.13  ? 176 TRP   A CE2  1 
ATOM   3079 C CE3  . TRP   A 1 176 ? -2.761  9.551   -30.169 1.00 4.52  ? 176 TRP   A CE3  1 
ATOM   3080 C CZ2  . TRP   A 1 176 ? -5.473  9.986   -30.875 1.00 4.84  ? 176 TRP   A CZ2  1 
ATOM   3081 C CZ3  . TRP   A 1 176 ? -3.089  10.258  -31.301 1.00 5.01  ? 176 TRP   A CZ3  1 
ATOM   3082 C CH2  . TRP   A 1 176 ? -4.440  10.486  -31.631 1.00 6.48  ? 176 TRP   A CH2  1 
ATOM   3083 H H    . TRP   A 1 176 ? -0.790  6.742   -26.190 1.00 4.35  ? 176 TRP   A H    1 
ATOM   3084 H HA   . TRP   A 1 176 ? -3.159  5.894   -27.074 1.00 4.02  ? 176 TRP   A HA   1 
ATOM   3085 H HB2  . TRP   A 1 176 ? -2.803  8.130   -26.413 1.00 4.86  ? 176 TRP   A HB2  1 
ATOM   3086 H HB3  . TRP   A 1 176 ? -1.860  8.319   -27.678 1.00 4.86  ? 176 TRP   A HB3  1 
ATOM   3087 H HD1  . TRP   A 1 176 ? -5.456  7.652   -27.087 1.00 5.31  ? 176 TRP   A HD1  1 
ATOM   3088 H HE1  . TRP   A 1 176 ? -6.790  8.641   -28.809 1.00 4.85  ? 176 TRP   A HE1  1 
ATOM   3089 H HE3  . TRP   A 1 176 ? -1.870  9.414   -29.943 1.00 5.42  ? 176 TRP   A HE3  1 
ATOM   3090 H HZ2  . TRP   A 1 176 ? -6.361  10.128  -31.111 1.00 5.81  ? 176 TRP   A HZ2  1 
ATOM   3091 H HZ3  . TRP   A 1 176 ? -2.416  10.588  -31.852 1.00 6.02  ? 176 TRP   A HZ3  1 
ATOM   3092 H HH2  . TRP   A 1 176 ? -4.640  10.991  -32.386 1.00 7.77  ? 176 TRP   A HH2  1 
ATOM   3093 N N    . ILE   A 1 177 ? -2.877  5.226   -29.415 1.00 2.92  ? 177 ILE   A N    1 
ATOM   3094 C CA   . ILE   A 1 177 ? -2.650  4.729   -30.767 1.00 2.80  ? 177 ILE   A CA   1 
ATOM   3095 C C    . ILE   A 1 177 ? -3.207  5.679   -31.825 1.00 3.30  ? 177 ILE   A C    1 
ATOM   3096 O O    . ILE   A 1 177 ? -2.548  5.961   -32.833 1.00 3.57  ? 177 ILE   A O    1 
ATOM   3097 C CB   . ILE   A 1 177 ? -3.265  3.324   -30.920 1.00 3.00  ? 177 ILE   A CB   1 
ATOM   3098 C CG1  . ILE   A 1 177 ? -2.537  2.337   -30.015 1.00 3.80  ? 177 ILE   A CG1  1 
ATOM   3099 C CG2  . ILE   A 1 177 ? -3.227  2.865   -32.372 1.00 3.96  ? 177 ILE   A CG2  1 
ATOM   3100 C CD1  . ILE   A 1 177 ? -3.184  0.994   -29.907 1.00 3.90  ? 177 ILE   A CD1  1 
ATOM   3101 H H    . ILE   A 1 177 ? -3.644  5.002   -29.096 1.00 3.51  ? 177 ILE   A H    1 
ATOM   3102 H HA   . ILE   A 1 177 ? -1.691  4.666   -30.901 1.00 3.36  ? 177 ILE   A HA   1 
ATOM   3103 H HB   . ILE   A 1 177 ? -4.196  3.365   -30.649 1.00 3.59  ? 177 ILE   A HB   1 
ATOM   3104 H HG12 . ILE   A 1 177 ? -1.642  2.203   -30.362 1.00 4.56  ? 177 ILE   A HG12 1 
ATOM   3105 H HG13 . ILE   A 1 177 ? -2.494  2.713   -29.122 1.00 4.56  ? 177 ILE   A HG13 1 
ATOM   3106 H HG21 . ILE   A 1 177 ? -3.544  1.950   -32.423 1.00 4.75  ? 177 ILE   A HG21 1 
ATOM   3107 H HG22 . ILE   A 1 177 ? -3.798  3.444   -32.901 1.00 4.75  ? 177 ILE   A HG22 1 
ATOM   3108 H HG23 . ILE   A 1 177 ? -2.314  2.917   -32.696 1.00 4.75  ? 177 ILE   A HG23 1 
ATOM   3109 H HD11 . ILE   A 1 177 ? -2.717  0.471   -29.236 1.00 4.68  ? 177 ILE   A HD11 1 
ATOM   3110 H HD12 . ILE   A 1 177 ? -4.112  1.110   -29.648 1.00 4.68  ? 177 ILE   A HD12 1 
ATOM   3111 H HD13 . ILE   A 1 177 ? -3.134  0.549   -30.767 1.00 4.68  ? 177 ILE   A HD13 1 
ATOM   3112 N N    . GLY   A 1 178 ? -4.447  6.131   -31.641 1.00 3.11  ? 178 GLY   A N    1 
ATOM   3113 C CA   . GLY   A 1 178 ? -5.107  6.949   -32.638 1.00 3.62  ? 178 GLY   A CA   1 
ATOM   3114 C C    . GLY   A 1 178 ? -6.594  7.007   -32.341 1.00 3.10  ? 178 GLY   A C    1 
ATOM   3115 O O    . GLY   A 1 178 ? -7.056  6.471   -31.337 1.00 3.82  ? 178 GLY   A O    1 
ATOM   3116 H H    . GLY   A 1 178 ? -4.924  5.974   -30.943 1.00 3.74  ? 178 GLY   A H    1 
ATOM   3117 H HA2  . GLY   A 1 178 ? -4.744  7.848   -32.624 1.00 4.35  ? 178 GLY   A HA2  1 
ATOM   3118 H HA3  . GLY   A 1 178 ? -4.974  6.569   -33.521 1.00 4.35  ? 178 GLY   A HA3  1 
ATOM   3119 N N    . ARG   A 1 179 ? -7.332  7.658   -33.237 1.00 3.30  ? 179 ARG   A N    1 
ATOM   3120 C CA   . ARG   A 1 179 ? -8.784  7.708   -33.103 1.00 3.82  ? 179 ARG   A CA   1 
ATOM   3121 C C    . ARG   A 1 179 ? -9.419  7.818   -34.470 1.00 3.47  ? 179 ARG   A C    1 
ATOM   3122 O O    . ARG   A 1 179 ? -8.782  8.224   -35.446 1.00 4.28  ? 179 ARG   A O    1 
ATOM   3123 C CB   . ARG   A 1 179 ? -9.243  8.838   -32.179 1.00 4.30  ? 179 ARG   A CB   1 
ATOM   3124 C CG   . ARG   A 1 179 ? -8.964  10.233  -32.657 1.00 4.90  ? 179 ARG   A CG   1 
ATOM   3125 C CD   . ARG   A 1 179 ? -10.028 10.811  -33.573 1.00 6.12  ? 179 ARG   A CD   1 
ATOM   3126 N NE   . ARG   A 1 179 ? -9.820  12.236  -33.739 1.00 6.17  ? 179 ARG   A NE   1 
ATOM   3127 C CZ   . ARG   A 1 179 ? -10.619 12.999  -34.460 1.00 6.73  ? 179 ARG   A CZ   1 
ATOM   3128 N NH1  . ARG   A 1 179 ? -11.587 12.481  -35.194 1.00 8.79  ? 179 ARG   A NH1  1 
ATOM   3129 N NH2  . ARG   A 1 179 ? -10.429 14.305  -34.453 1.00 6.87  ? 179 ARG   A NH2  1 
ATOM   3130 H H    . ARG   A 1 179 ? -7.019  8.073   -33.923 1.00 3.95  ? 179 ARG   A H    1 
ATOM   3131 H HA   . ARG   A 1 179 ? -9.089  6.874   -32.711 1.00 4.59  ? 179 ARG   A HA   1 
ATOM   3132 H HB2  . ARG   A 1 179 ? -10.203 8.763   -32.061 1.00 5.16  ? 179 ARG   A HB2  1 
ATOM   3133 H HB3  . ARG   A 1 179 ? -8.795  8.733   -31.325 1.00 5.16  ? 179 ARG   A HB3  1 
ATOM   3134 H HG2  . ARG   A 1 179 ? -8.895  10.817  -31.885 1.00 5.88  ? 179 ARG   A HG2  1 
ATOM   3135 H HG3  . ARG   A 1 179 ? -8.127  10.231  -33.147 1.00 5.88  ? 179 ARG   A HG3  1 
ATOM   3136 H HD2  . ARG   A 1 179 ? -9.976  10.386  -34.444 1.00 7.34  ? 179 ARG   A HD2  1 
ATOM   3137 H HD3  . ARG   A 1 179 ? -10.906 10.668  -33.186 1.00 7.34  ? 179 ARG   A HD3  1 
ATOM   3138 H HE   . ARG   A 1 179 ? -9.146  12.601  -33.349 1.00 7.41  ? 179 ARG   A HE   1 
ATOM   3139 H HH11 . ARG   A 1 179 ? -11.708 11.630  -35.208 1.00 10.55 ? 179 ARG   A HH11 1 
ATOM   3140 H HH12 . ARG   A 1 179 ? -12.097 12.996  -35.657 1.00 10.55 ? 179 ARG   A HH12 1 
ATOM   3141 H HH21 . ARG   A 1 179 ? -9.794  14.645  -33.983 1.00 8.25  ? 179 ARG   A HH21 1 
ATOM   3142 H HH22 . ARG   A 1 179 ? -10.941 14.816  -34.917 1.00 8.25  ? 179 ARG   A HH22 1 
ATOM   3143 N N    . ILE   A 1 180 ? -10.696 7.471   -34.521 1.00 3.82  ? 180 ILE   A N    1 
ATOM   3144 C CA   . ILE   A 1 180 ? -11.504 7.586   -35.736 1.00 3.90  ? 180 ILE   A CA   1 
ATOM   3145 C C    . ILE   A 1 180 ? -12.843 8.231   -35.406 1.00 3.70  ? 180 ILE   A C    1 
ATOM   3146 O O    . ILE   A 1 180 ? -13.454 7.932   -34.382 1.00 4.45  ? 180 ILE   A O    1 
ATOM   3147 C CB   . ILE   A 1 180 ? -11.664 6.225   -36.444 1.00 4.00  ? 180 ILE   A CB   1 
ATOM   3148 C CG1  . ILE   A 1 180 ? -12.379 6.369   -37.793 1.00 4.89  ? 180 ILE   A CG1  1 
ATOM   3149 C CG2  . ILE   A 1 180 ? -12.378 5.232   -35.556 1.00 6.06  ? 180 ILE   A CG2  1 
ATOM   3150 C CD1  . ILE   A 1 180 ? -12.148 5.181   -38.705 1.00 5.96  ? 180 ILE   A CD1  1 
ATOM   3151 H H    . ILE   A 1 180 ? -11.132 7.157   -33.849 1.00 4.58  ? 180 ILE   A H    1 
ATOM   3152 H HA   . ILE   A 1 180 ? -11.062 8.186   -36.356 1.00 4.67  ? 180 ILE   A HA   1 
ATOM   3153 H HB   . ILE   A 1 180 ? -10.772 5.888   -36.621 1.00 4.80  ? 180 ILE   A HB   1 
ATOM   3154 H HG12 . ILE   A 1 180 ? -13.333 6.449   -37.639 1.00 5.86  ? 180 ILE   A HG12 1 
ATOM   3155 H HG13 . ILE   A 1 180 ? -12.048 7.162   -38.243 1.00 5.86  ? 180 ILE   A HG13 1 
ATOM   3156 H HG21 . ILE   A 1 180 ? -12.405 4.371   -36.003 1.00 7.27  ? 180 ILE   A HG21 1 
ATOM   3157 H HG22 . ILE   A 1 180 ? -11.896 5.153   -34.718 1.00 7.27  ? 180 ILE   A HG22 1 
ATOM   3158 H HG23 . ILE   A 1 180 ? -13.280 5.547   -35.391 1.00 7.27  ? 180 ILE   A HG23 1 
ATOM   3159 H HD11 . ILE   A 1 180 ? -12.795 5.207   -39.428 1.00 7.15  ? 180 ILE   A HD11 1 
ATOM   3160 H HD12 . ILE   A 1 180 ? -11.248 5.228   -39.064 1.00 7.15  ? 180 ILE   A HD12 1 
ATOM   3161 H HD13 . ILE   A 1 180 ? -12.258 4.364   -38.194 1.00 7.15  ? 180 ILE   A HD13 1 
ATOM   3162 N N    . ASP   A 1 181 ? -13.282 9.112   -36.303 1.00 4.28  ? 181 ASP   A N    1 
ATOM   3163 C CA   A ASP   A 1 181 ? -14.611 9.716   -36.236 0.71 4.96  ? 181 ASP   A CA   1 
ATOM   3164 C CA   B ASP   A 1 181 ? -14.612 9.687   -36.217 0.29 4.27  ? 181 ASP   A CA   1 
ATOM   3165 C C    . ASP   A 1 181 ? -15.532 8.920   -37.148 1.00 4.96  ? 181 ASP   A C    1 
ATOM   3166 O O    . ASP   A 1 181 ? -15.357 8.978   -38.365 1.00 5.67  ? 181 ASP   A O    1 
ATOM   3167 C CB   A ASP   A 1 181 ? -14.510 11.163  -36.699 0.71 5.24  ? 181 ASP   A CB   1 
ATOM   3168 C CB   B ASP   A 1 181 ? -14.606 11.158  -36.586 0.29 4.48  ? 181 ASP   A CB   1 
ATOM   3169 C CG   A ASP   A 1 181 ? -15.815 11.934  -36.596 0.71 5.18  ? 181 ASP   A CG   1 
ATOM   3170 C CG   B ASP   A 1 181 ? -16.003 11.710  -36.718 0.29 5.36  ? 181 ASP   A CG   1 
ATOM   3171 O OD1  A ASP   A 1 181 ? -16.876 11.305  -36.715 0.71 6.39  ? 181 ASP   A OD1  1 
ATOM   3172 O OD1  B ASP   A 1 181 ? -16.913 11.175  -36.048 0.29 4.72  ? 181 ASP   A OD1  1 
ATOM   3173 O OD2  A ASP   A 1 181 ? -15.777 13.181  -36.439 0.71 5.53  ? 181 ASP   A OD2  1 
ATOM   3174 O OD2  B ASP   A 1 181 ? -16.200 12.655  -37.504 0.29 6.82  ? 181 ASP   A OD2  1 
ATOM   3175 H H    A ASP   A 1 181 ? -12.819 9.383   -36.975 0.71 5.14  ? 181 ASP   A H    1 
ATOM   3176 H H    B ASP   A 1 181 ? -12.822 9.392   -36.973 0.29 5.14  ? 181 ASP   A H    1 
ATOM   3177 H HA   A ASP   A 1 181 ? -14.972 9.692   -35.336 0.71 5.95  ? 181 ASP   A HA   1 
ATOM   3178 H HA   B ASP   A 1 181 ? -14.932 9.607   -35.305 0.29 5.13  ? 181 ASP   A HA   1 
ATOM   3179 H HB2  A ASP   A 1 181 ? -13.853 11.620  -36.152 0.71 6.28  ? 181 ASP   A HB2  1 
ATOM   3180 H HB2  B ASP   A 1 181 ? -14.146 11.659  -35.895 0.29 5.37  ? 181 ASP   A HB2  1 
ATOM   3181 H HB3  A ASP   A 1 181 ? -14.233 11.174  -37.629 0.71 6.28  ? 181 ASP   A HB3  1 
ATOM   3182 H HB3  B ASP   A 1 181 ? -14.153 11.272  -37.437 0.29 5.37  ? 181 ASP   A HB3  1 
ATOM   3183 N N    . PRO   A 1 182 ? -16.526 8.190   -36.628 1.00 5.48  ? 182 PRO   A N    1 
ATOM   3184 C CA   A PRO   A 1 182 ? -17.382 7.407   -37.529 0.61 7.71  ? 182 PRO   A CA   1 
ATOM   3185 C CA   B PRO   A 1 182 ? -17.383 7.405   -37.523 0.39 6.92  ? 182 PRO   A CA   1 
ATOM   3186 C C    . PRO   A 1 182 ? -18.238 8.248   -38.441 1.00 7.02  ? 182 PRO   A C    1 
ATOM   3187 O O    . PRO   A 1 182 ? -18.645 7.756   -39.505 1.00 10.80 ? 182 PRO   A O    1 
ATOM   3188 C CB   A PRO   A 1 182 ? -18.242 6.575   -36.575 0.61 9.93  ? 182 PRO   A CB   1 
ATOM   3189 C CB   B PRO   A 1 182 ? -18.235 6.589   -36.554 0.39 6.61  ? 182 PRO   A CB   1 
ATOM   3190 C CG   A PRO   A 1 182 ? -17.556 6.635   -35.244 0.61 8.33  ? 182 PRO   A CG   1 
ATOM   3191 C CG   B PRO   A 1 182 ? -18.221 7.388   -35.286 0.39 6.69  ? 182 PRO   A CG   1 
ATOM   3192 C CD   A PRO   A 1 182 ? -16.859 7.967   -35.210 0.61 7.01  ? 182 PRO   A CD   1 
ATOM   3193 C CD   B PRO   A 1 182 ? -16.864 7.994   -35.210 0.39 5.95  ? 182 PRO   A CD   1 
ATOM   3194 H HA   A PRO   A 1 182 ? -16.834 6.813   -38.065 0.61 9.25  ? 182 PRO   A HA   1 
ATOM   3195 H HA   B PRO   A 1 182 ? -16.845 6.804   -38.062 0.39 8.31  ? 182 PRO   A HA   1 
ATOM   3196 H HB2  A PRO   A 1 182 ? -19.132 6.958   -36.520 0.61 11.91 ? 182 PRO   A HB2  1 
ATOM   3197 H HB2  B PRO   A 1 182 ? -19.137 6.498   -36.899 0.39 7.93  ? 182 PRO   A HB2  1 
ATOM   3198 H HB3  A PRO   A 1 182 ? -18.293 5.661   -36.894 0.61 11.91 ? 182 PRO   A HB3  1 
ATOM   3199 H HB3  B PRO   A 1 182 ? -17.841 5.713   -36.420 0.39 7.93  ? 182 PRO   A HB3  1 
ATOM   3200 H HG2  A PRO   A 1 182 ? -18.212 6.572   -34.532 0.61 9.99  ? 182 PRO   A HG2  1 
ATOM   3201 H HG2  B PRO   A 1 182 ? -18.904 8.076   -35.323 0.39 8.03  ? 182 PRO   A HG2  1 
ATOM   3202 H HG3  A PRO   A 1 182 ? -16.916 5.910   -35.171 0.61 9.99  ? 182 PRO   A HG3  1 
ATOM   3203 H HG3  B PRO   A 1 182 ? -18.379 6.804   -34.528 0.39 8.03  ? 182 PRO   A HG3  1 
ATOM   3204 H HD2  A PRO   A 1 182 ? -17.450 8.660   -34.878 0.61 8.41  ? 182 PRO   A HD2  1 
ATOM   3205 H HD2  B PRO   A 1 182 ? -16.887 8.841   -34.737 0.39 7.14  ? 182 PRO   A HD2  1 
ATOM   3206 H HD3  A PRO   A 1 182 ? -16.057 7.926   -34.666 0.61 8.41  ? 182 PRO   A HD3  1 
ATOM   3207 H HD3  B PRO   A 1 182 ? -16.237 7.391   -34.782 0.39 7.14  ? 182 PRO   A HD3  1 
ATOM   3208 N N    . ASN   A 1 183 ? -18.528 9.476   -38.051 1.00 6.75  ? 183 ASN   A N    1 
ATOM   3209 C CA   A ASN   A 1 183 ? -19.423 10.318  -38.825 0.65 7.53  ? 183 ASN   A CA   1 
ATOM   3210 C CA   B ASN   A 1 183 ? -19.427 10.279  -38.853 0.35 8.63  ? 183 ASN   A CA   1 
ATOM   3211 C C    . ASN   A 1 183 ? -18.716 10.868  -40.059 1.00 8.55  ? 183 ASN   A C    1 
ATOM   3212 O O    . ASN   A 1 183 ? -19.284 10.873  -41.142 1.00 12.37 ? 183 ASN   A O    1 
ATOM   3213 C CB   A ASN   A 1 183 ? -19.942 11.456  -37.940 0.65 8.72  ? 183 ASN   A CB   1 
ATOM   3214 C CB   B ASN   A 1 183 ? -20.056 11.376  -38.005 0.35 10.76 ? 183 ASN   A CB   1 
ATOM   3215 C CG   A ASN   A 1 183 ? -20.868 12.417  -38.701 0.65 9.25  ? 183 ASN   A CG   1 
ATOM   3216 C CG   B ASN   A 1 183 ? -21.550 11.200  -37.855 0.35 12.20 ? 183 ASN   A CG   1 
ATOM   3217 O OD1  A ASN   A 1 183 ? -20.509 13.575  -38.945 0.65 14.31 ? 183 ASN   A OD1  1 
ATOM   3218 O OD1  B ASN   A 1 183 ? -22.196 10.462  -38.612 0.35 14.79 ? 183 ASN   A OD1  1 
ATOM   3219 N ND2  A ASN   A 1 183 ? -22.033 11.943  -39.085 0.65 11.66 ? 183 ASN   A ND2  1 
ATOM   3220 N ND2  B ASN   A 1 183 ? -22.113 11.874  -36.860 0.35 15.74 ? 183 ASN   A ND2  1 
ATOM   3221 H H    A ASN   A 1 183 ? -18.219 9.848   -37.340 0.65 8.09  ? 183 ASN   A H    1 
ATOM   3222 H H    B ASN   A 1 183 ? -18.224 9.858   -37.344 0.35 8.09  ? 183 ASN   A H    1 
ATOM   3223 H HA   A ASN   A 1 183 ? -20.185 9.798   -39.123 0.65 9.03  ? 183 ASN   A HA   1 
ATOM   3224 H HA   B ASN   A 1 183 ? -20.146 9.715   -39.176 0.35 10.36 ? 183 ASN   A HA   1 
ATOM   3225 H HB2  A ASN   A 1 183 ? -20.442 11.079  -37.199 0.65 10.46 ? 183 ASN   A HB2  1 
ATOM   3226 H HB2  B ASN   A 1 183 ? -19.659 11.360  -37.120 0.35 12.92 ? 183 ASN   A HB2  1 
ATOM   3227 H HB3  A ASN   A 1 183 ? -19.188 11.967  -37.606 0.65 10.46 ? 183 ASN   A HB3  1 
ATOM   3228 H HB3  B ASN   A 1 183 ? -19.894 12.235  -38.426 0.35 12.92 ? 183 ASN   A HB3  1 
ATOM   3229 H HD21 A ASN   A 1 183 ? -22.582 12.447  -39.514 0.65 13.99 ? 183 ASN   A HD21 1 
ATOM   3230 H HD21 B ASN   A 1 183 ? -22.960 11.813  -36.725 0.35 18.89 ? 183 ASN   A HD21 1 
ATOM   3231 H HD22 A ASN   A 1 183 ? -22.246 11.129  -38.907 0.65 13.99 ? 183 ASN   A HD22 1 
ATOM   3232 H HD22 B ASN   A 1 183 ? -21.631 12.371  -36.351 0.35 18.89 ? 183 ASN   A HD22 1 
ATOM   3233 N N    . SER   A 1 184 ? -17.493 11.376  -39.903 1.00 8.86  ? 184 SER   A N    1 
ATOM   3234 C CA   . SER   A 1 184 ? -16.766 11.960  -41.019 1.00 8.84  ? 184 SER   A CA   1 
ATOM   3235 C C    . SER   A 1 184 ? -15.772 10.997  -41.642 1.00 8.73  ? 184 SER   A C    1 
ATOM   3236 O O    . SER   A 1 184 ? -15.287 11.254  -42.749 1.00 11.61 ? 184 SER   A O    1 
ATOM   3237 C CB   . SER   A 1 184 ? -15.987 13.194  -40.556 1.00 9.74  ? 184 SER   A CB   1 
ATOM   3238 O OG   . SER   A 1 184 ? -14.956 12.800  -39.685 1.00 7.99  ? 184 SER   A OG   1 
ATOM   3239 H H    . SER   A 1 184 ? -17.065 11.391  -39.157 1.00 10.63 ? 184 SER   A H    1 
ATOM   3240 H HA   . SER   A 1 184 ? -17.408 12.233  -41.693 1.00 10.61 ? 184 SER   A HA   1 
ATOM   3241 H HB2  . SER   A 1 184 ? -15.603 13.639  -41.328 1.00 11.69 ? 184 SER   A HB2  1 
ATOM   3242 H HB3  . SER   A 1 184 ? -16.588 13.797  -40.090 1.00 11.69 ? 184 SER   A HB3  1 
ATOM   3243 H HG   . SER   A 1 184 ? -15.247 12.241  -39.130 1.00 9.59  ? 184 SER   A HG   1 
ATOM   3244 N N    . GLY   A 1 185 ? -15.391 9.941   -40.934 1.00 7.21  ? 185 GLY   A N    1 
ATOM   3245 C CA   . GLY   A 1 185 ? -14.324 9.059   -41.336 1.00 7.17  ? 185 GLY   A CA   1 
ATOM   3246 C C    . GLY   A 1 185 ? -12.921 9.516   -40.977 1.00 5.66  ? 185 GLY   A C    1 
ATOM   3247 O O    . GLY   A 1 185 ? -11.974 8.772   -41.237 1.00 6.58  ? 185 GLY   A O    1 
ATOM   3248 H H    . GLY   A 1 185 ? -15.753 9.711   -40.188 1.00 8.65  ? 185 GLY   A H    1 
ATOM   3249 H HA2  . GLY   A 1 185 ? -14.466 8.195   -40.919 1.00 8.60  ? 185 GLY   A HA2  1 
ATOM   3250 H HA3  . GLY   A 1 185 ? -14.360 8.954   -42.300 1.00 8.60  ? 185 GLY   A HA3  1 
ATOM   3251 N N    . PHE   A 1 186 ? -12.772 10.708  -40.417 1.00 5.46  ? 186 PHE   A N    1 
ATOM   3252 C CA   . PHE   A 1 186 ? -11.456 11.242  -40.142 1.00 5.13  ? 186 PHE   A CA   1 
ATOM   3253 C C    . PHE   A 1 186 ? -10.721 10.381  -39.128 1.00 4.69  ? 186 PHE   A C    1 
ATOM   3254 O O    . PHE   A 1 186 ? -11.265 10.031  -38.075 1.00 6.81  ? 186 PHE   A O    1 
ATOM   3255 C CB   . PHE   A 1 186 ? -11.588 12.663  -39.614 1.00 5.62  ? 186 PHE   A CB   1 
ATOM   3256 C CG   . PHE   A 1 186 ? -10.248 13.301  -39.251 1.00 5.87  ? 186 PHE   A CG   1 
ATOM   3257 C CD1  . PHE   A 1 186 ? -9.240  13.387  -40.146 1.00 6.73  ? 186 PHE   A CD1  1 
ATOM   3258 C CD2  . PHE   A 1 186 ? -10.019 13.787  -37.996 1.00 10.21 ? 186 PHE   A CD2  1 
ATOM   3259 C CE1  . PHE   A 1 186 ? -8.028  13.947  -39.790 1.00 6.80  ? 186 PHE   A CE1  1 
ATOM   3260 C CE2  . PHE   A 1 186 ? -8.816  14.357  -37.640 1.00 11.03 ? 186 PHE   A CE2  1 
ATOM   3261 C CZ   . PHE   A 1 186 ? -7.835  14.437  -38.531 1.00 8.01  ? 186 PHE   A CZ   1 
ATOM   3262 H H    . PHE   A 1 186 ? -13.419 11.226  -40.188 1.00 6.55  ? 186 PHE   A H    1 
ATOM   3263 H HA   . PHE   A 1 186 ? -10.935 11.251  -40.961 1.00 6.16  ? 186 PHE   A HA   1 
ATOM   3264 H HB2  . PHE   A 1 186 ? -12.005 13.213  -40.296 1.00 6.74  ? 186 PHE   A HB2  1 
ATOM   3265 H HB3  . PHE   A 1 186 ? -12.138 12.651  -38.816 1.00 6.74  ? 186 PHE   A HB3  1 
ATOM   3266 H HD1  . PHE   A 1 186 ? -9.362  13.065  -41.010 1.00 8.07  ? 186 PHE   A HD1  1 
ATOM   3267 H HD2  . PHE   A 1 186 ? -10.696 13.731  -37.361 1.00 12.26 ? 186 PHE   A HD2  1 
ATOM   3268 H HE1  . PHE   A 1 186 ? -7.339  13.990  -40.413 1.00 8.16  ? 186 PHE   A HE1  1 
ATOM   3269 H HE2  . PHE   A 1 186 ? -8.691  14.685  -36.779 1.00 13.23 ? 186 PHE   A HE2  1 
ATOM   3270 H HZ   . PHE   A 1 186 ? -7.022  14.825  -38.298 1.00 9.61  ? 186 PHE   A HZ   1 
ATOM   3271 N N    . ILE   A 1 187 ? -9.459  10.084  -39.434 1.00 4.19  ? 187 ILE   A N    1 
ATOM   3272 C CA   . ILE   A 1 187 ? -8.570  9.297   -38.596 1.00 4.23  ? 187 ILE   A CA   1 
ATOM   3273 C C    . ILE   A 1 187 ? -7.372  10.128  -38.196 1.00 3.96  ? 187 ILE   A C    1 
ATOM   3274 O O    . ILE   A 1 187 ? -6.819  10.867  -39.011 1.00 4.97  ? 187 ILE   A O    1 
ATOM   3275 C CB   . ILE   A 1 187 ? -8.068  8.063   -39.363 1.00 4.51  ? 187 ILE   A CB   1 
ATOM   3276 C CG1  . ILE   A 1 187 ? -9.204  7.148   -39.704 1.00 6.08  ? 187 ILE   A CG1  1 
ATOM   3277 C CG2  . ILE   A 1 187 ? -6.975  7.329   -38.600 1.00 6.39  ? 187 ILE   A CG2  1 
ATOM   3278 C CD1  . ILE   A 1 187 ? -8.894  6.131   -40.765 1.00 7.41  ? 187 ILE   A CD1  1 
ATOM   3279 H H    . ILE   A 1 187 ? -9.080  10.344  -40.160 1.00 5.03  ? 187 ILE   A H    1 
ATOM   3280 H HA   . ILE   A 1 187 ? -9.052  9.039   -37.795 1.00 5.07  ? 187 ILE   A HA   1 
ATOM   3281 H HB   . ILE   A 1 187 ? -7.675  8.377   -40.192 1.00 5.42  ? 187 ILE   A HB   1 
ATOM   3282 H HG12 . ILE   A 1 187 ? -9.462  6.666   -38.903 1.00 7.30  ? 187 ILE   A HG12 1 
ATOM   3283 H HG13 . ILE   A 1 187 ? -9.947  7.685   -40.022 1.00 7.30  ? 187 ILE   A HG13 1 
ATOM   3284 H HG21 . ILE   A 1 187 ? -6.831  6.462   -39.010 1.00 7.67  ? 187 ILE   A HG21 1 
ATOM   3285 H HG22 . ILE   A 1 187 ? -6.159  7.852   -38.635 1.00 7.67  ? 187 ILE   A HG22 1 
ATOM   3286 H HG23 . ILE   A 1 187 ? -7.255  7.216   -37.678 1.00 7.67  ? 187 ILE   A HG23 1 
ATOM   3287 H HD11 . ILE   A 1 187 ? -9.722  5.716   -41.057 1.00 8.89  ? 187 ILE   A HD11 1 
ATOM   3288 H HD12 . ILE   A 1 187 ? -8.466  6.575   -41.514 1.00 8.89  ? 187 ILE   A HD12 1 
ATOM   3289 H HD13 . ILE   A 1 187 ? -8.300  5.459   -40.395 1.00 8.89  ? 187 ILE   A HD13 1 
ATOM   3290 N N    . ARG   A 1 188 ? -6.946  9.975   -36.936 1.00 4.06  ? 188 ARG   A N    1 
ATOM   3291 C CA   . ARG   A 1 188 ? -5.628  10.406  -36.496 1.00 4.81  ? 188 ARG   A CA   1 
ATOM   3292 C C    . ARG   A 1 188 ? -4.860  9.181   -36.030 1.00 4.29  ? 188 ARG   A C    1 
ATOM   3293 O O    . ARG   A 1 188 ? -5.405  8.360   -35.280 1.00 6.30  ? 188 ARG   A O    1 
ATOM   3294 C CB   . ARG   A 1 188 ? -5.677  11.336  -35.288 1.00 6.05  ? 188 ARG   A CB   1 
ATOM   3295 C CG   . ARG   A 1 188 ? -6.397  12.633  -35.477 1.00 7.11  ? 188 ARG   A CG   1 
ATOM   3296 C CD   . ARG   A 1 188 ? -6.034  13.562  -34.342 1.00 7.47  ? 188 ARG   A CD   1 
ATOM   3297 N NE   . ARG   A 1 188 ? -6.690  14.854  -34.391 1.00 8.32  ? 188 ARG   A NE   1 
ATOM   3298 C CZ   . ARG   A 1 188 ? -6.235  15.910  -35.044 1.00 9.02  ? 188 ARG   A CZ   1 
ATOM   3299 N NH1  . ARG   A 1 188 ? -5.167  15.844  -35.827 1.00 11.17 ? 188 ARG   A NH1  1 
ATOM   3300 N NH2  . ARG   A 1 188 ? -6.850  17.063  -34.880 1.00 10.96 ? 188 ARG   A NH2  1 
ATOM   3301 H H    . ARG   A 1 188 ? -7.417  9.616   -36.312 1.00 4.88  ? 188 ARG   A H    1 
ATOM   3302 H HA   . ARG   A 1 188 ? -5.200  10.861  -37.239 1.00 5.77  ? 188 ARG   A HA   1 
ATOM   3303 H HB2  . ARG   A 1 188 ? -6.120  10.867  -34.564 1.00 7.26  ? 188 ARG   A HB2  1 
ATOM   3304 H HB3  . ARG   A 1 188 ? -4.765  11.551  -35.035 1.00 7.26  ? 188 ARG   A HB3  1 
ATOM   3305 H HG2  . ARG   A 1 188 ? -6.131  13.041  -36.316 1.00 8.53  ? 188 ARG   A HG2  1 
ATOM   3306 H HG3  . ARG   A 1 188 ? -7.355  12.484  -35.469 1.00 8.53  ? 188 ARG   A HG3  1 
ATOM   3307 H HD2  . ARG   A 1 188 ? -6.282  13.139  -33.505 1.00 8.97  ? 188 ARG   A HD2  1 
ATOM   3308 H HD3  . ARG   A 1 188 ? -5.077  13.719  -34.364 1.00 8.97  ? 188 ARG   A HD3  1 
ATOM   3309 H HE   . ARG   A 1 188 ? -7.431  14.940  -33.962 1.00 9.98  ? 188 ARG   A HE   1 
ATOM   3310 H HH11 . ARG   A 1 188 ? -4.749  15.098  -35.922 1.00 13.40 ? 188 ARG   A HH11 1 
ATOM   3311 H HH12 . ARG   A 1 188 ? -4.892  16.546  -36.241 1.00 13.40 ? 188 ARG   A HH12 1 
ATOM   3312 H HH21 . ARG   A 1 188 ? -7.531  17.116  -34.358 1.00 13.15 ? 188 ARG   A HH21 1 
ATOM   3313 H HH22 . ARG   A 1 188 ? -6.571  17.763  -35.295 1.00 13.15 ? 188 ARG   A HH22 1 
ATOM   3314 N N    . TYR   A 1 189 ? -3.599  9.073   -36.417 1.00 4.30  ? 189 TYR   A N    1 
ATOM   3315 C CA   . TYR   A 1 189 ? -2.678  8.107   -35.839 1.00 3.96  ? 189 TYR   A CA   1 
ATOM   3316 C C    . TYR   A 1 189 ? -1.630  8.831   -35.030 1.00 4.69  ? 189 TYR   A C    1 
ATOM   3317 O O    . TYR   A 1 189 ? -1.085  9.841   -35.475 1.00 5.75  ? 189 TYR   A O    1 
ATOM   3318 C CB   . TYR   A 1 189 ? -1.945  7.296   -36.907 1.00 4.92  ? 189 TYR   A CB   1 
ATOM   3319 C CG   . TYR   A 1 189 ? -2.842  6.412   -37.733 1.00 4.31  ? 189 TYR   A CG   1 
ATOM   3320 C CD1  . TYR   A 1 189 ? -3.365  5.252   -37.207 1.00 4.49  ? 189 TYR   A CD1  1 
ATOM   3321 C CD2  . TYR   A 1 189 ? -3.140  6.739   -39.042 1.00 4.85  ? 189 TYR   A CD2  1 
ATOM   3322 C CE1  . TYR   A 1 189 ? -4.205  4.446   -37.948 1.00 4.80  ? 189 TYR   A CE1  1 
ATOM   3323 C CE2  . TYR   A 1 189 ? -3.992  5.942   -39.790 1.00 5.00  ? 189 TYR   A CE2  1 
ATOM   3324 C CZ   . TYR   A 1 189 ? -4.534  4.794   -39.235 1.00 4.38  ? 189 TYR   A CZ   1 
ATOM   3325 O OH   . TYR   A 1 189 ? -5.387  3.976   -39.924 1.00 5.19  ? 189 TYR   A OH   1 
ATOM   3326 H H    . TYR   A 1 189 ? -3.245  9.562   -37.030 1.00 5.16  ? 189 TYR   A H    1 
ATOM   3327 H HA   . TYR   A 1 189 ? -3.190  7.504   -35.277 1.00 4.75  ? 189 TYR   A HA   1 
ATOM   3328 H HB2  . TYR   A 1 189 ? -1.500  7.910   -37.512 1.00 5.91  ? 189 TYR   A HB2  1 
ATOM   3329 H HB3  . TYR   A 1 189 ? -1.292  6.727   -36.471 1.00 5.91  ? 189 TYR   A HB3  1 
ATOM   3330 H HD1  . TYR   A 1 189 ? -3.149  5.008   -36.336 1.00 5.38  ? 189 TYR   A HD1  1 
ATOM   3331 H HD2  . TYR   A 1 189 ? -2.767  7.500   -39.423 1.00 5.82  ? 189 TYR   A HD2  1 
ATOM   3332 H HE1  . TYR   A 1 189 ? -4.549  3.667   -37.575 1.00 5.75  ? 189 TYR   A HE1  1 
ATOM   3333 H HE2  . TYR   A 1 189 ? -4.200  6.177   -40.666 1.00 5.99  ? 189 TYR   A HE2  1 
ATOM   3334 H HH   . TYR   A 1 189 ? -5.366  4.164   -40.743 1.00 6.23  ? 189 TYR   A HH   1 
ATOM   3335 N N    . ASP   A 1 190 ? -1.286  8.284   -33.872 1.00 4.22  ? 190 ASP   A N    1 
ATOM   3336 C CA   . ASP   A 1 190 ? -0.048  8.718   -33.236 1.00 4.20  ? 190 ASP   A CA   1 
ATOM   3337 C C    . ASP   A 1 190 ? 1.111   8.345   -34.141 1.00 4.02  ? 190 ASP   A C    1 
ATOM   3338 O O    . ASP   A 1 190 ? 1.097   7.295   -34.786 1.00 4.67  ? 190 ASP   A O    1 
ATOM   3339 C CB   . ASP   A 1 190 ? 0.116   8.035   -31.883 1.00 4.73  ? 190 ASP   A CB   1 
ATOM   3340 C CG   . ASP   A 1 190 ? 1.139   8.739   -31.026 1.00 5.12  ? 190 ASP   A CG   1 
ATOM   3341 O OD1  . ASP   A 1 190 ? 0.740   9.703   -30.343 1.00 7.32  ? 190 ASP   A OD1  1 
ATOM   3342 O OD2  . ASP   A 1 190 ? 2.323   8.340   -31.059 1.00 6.27  ? 190 ASP   A OD2  1 
ATOM   3343 H H    . ASP   A 1 190 ? -1.733  7.683   -33.449 1.00 5.06  ? 190 ASP   A H    1 
ATOM   3344 H HA   . ASP   A 1 190 ? -0.056  9.677   -33.087 1.00 5.04  ? 190 ASP   A HA   1 
ATOM   3345 H HB2  . ASP   A 1 190 ? -0.733  8.045   -31.414 1.00 5.68  ? 190 ASP   A HB2  1 
ATOM   3346 H HB3  . ASP   A 1 190 ? 0.409   7.121   -32.020 1.00 5.68  ? 190 ASP   A HB3  1 
ATOM   3347 N N    . GLU   A 1 191 ? 2.159   9.171   -34.144 1.00 4.60  ? 191 GLU   A N    1 
ATOM   3348 C CA   . GLU   A 1 191 ? 3.337   8.838   -34.920 1.00 5.52  ? 191 GLU   A CA   1 
ATOM   3349 C C    . GLU   A 1 191 ? 3.940   7.499   -34.514 1.00 5.30  ? 191 GLU   A C    1 
ATOM   3350 O O    . GLU   A 1 191 ? 4.505   6.809   -35.356 1.00 6.98  ? 191 GLU   A O    1 
ATOM   3351 C CB   . GLU   A 1 191 ? 4.373   9.942   -34.796 1.00 6.67  ? 191 GLU   A CB   1 
ATOM   3352 C CG   . GLU   A 1 191 ? 3.940   11.221  -35.498 1.00 7.95  ? 191 GLU   A CG   1 
ATOM   3353 C CD   . GLU   A 1 191 ? 3.789   11.104  -37.005 1.00 8.47  ? 191 GLU   A CD   1 
ATOM   3354 O OE1  . GLU   A 1 191 ? 4.749   10.597  -37.631 1.00 10.05 ? 191 GLU   A OE1  1 
ATOM   3355 O OE2  . GLU   A 1 191 ? 2.728   11.524  -37.553 1.00 9.39  ? 191 GLU   A OE2  1 
ATOM   3356 H H    . GLU   A 1 191 ? 2.206   9.914   -33.712 1.00 5.52  ? 191 GLU   A H    1 
ATOM   3357 H HA   . GLU   A 1 191 ? 3.076   8.768   -35.852 1.00 6.63  ? 191 GLU   A HA   1 
ATOM   3358 H HB2  . GLU   A 1 191 ? 4.510   10.145  -33.857 1.00 8.00  ? 191 GLU   A HB2  1 
ATOM   3359 H HB3  . GLU   A 1 191 ? 5.205   9.644   -35.196 1.00 8.00  ? 191 GLU   A HB3  1 
ATOM   3360 H HG2  . GLU   A 1 191 ? 3.080   11.492  -35.140 1.00 9.54  ? 191 GLU   A HG2  1 
ATOM   3361 H HG3  . GLU   A 1 191 ? 4.603   11.907  -35.324 1.00 9.54  ? 191 GLU   A HG3  1 
ATOM   3362 N N    . ARG   A 1 192 ? 3.752   7.077   -33.264 1.00 4.67  ? 192 ARG   A N    1 
ATOM   3363 C CA   . ARG   A 1 192 ? 4.259   5.800   -32.805 1.00 4.90  ? 192 ARG   A CA   1 
ATOM   3364 C C    . ARG   A 1 192 ? 3.599   4.629   -33.508 1.00 5.52  ? 192 ARG   A C    1 
ATOM   3365 O O    . ARG   A 1 192 ? 4.192   3.551   -33.583 1.00 7.09  ? 192 ARG   A O    1 
ATOM   3366 C CB   . ARG   A 1 192 ? 4.080   5.687   -31.290 1.00 5.15  ? 192 ARG   A CB   1 
ATOM   3367 C CG   . ARG   A 1 192 ? 4.829   4.544   -30.622 1.00 5.81  ? 192 ARG   A CG   1 
ATOM   3368 C CD   . ARG   A 1 192 ? 4.666   4.528   -29.117 1.00 6.26  ? 192 ARG   A CD   1 
ATOM   3369 N NE   . ARG   A 1 192 ? 5.120   5.778   -28.524 1.00 5.57  ? 192 ARG   A NE   1 
ATOM   3370 C CZ   . ARG   A 1 192 ? 4.928   6.124   -27.263 1.00 6.20  ? 192 ARG   A CZ   1 
ATOM   3371 N NH1  . ARG   A 1 192 ? 4.383   5.290   -26.407 1.00 6.34  ? 192 ARG   A NH1  1 
ATOM   3372 N NH2  . ARG   A 1 192 ? 5.326   7.322   -26.854 1.00 6.71  ? 192 ARG   A NH2  1 
ATOM   3373 H H    . ARG   A 1 192 ? 3.329   7.520   -32.660 1.00 5.60  ? 192 ARG   A H    1 
ATOM   3374 H HA   . ARG   A 1 192 ? 5.208   5.755   -33.004 1.00 5.88  ? 192 ARG   A HA   1 
ATOM   3375 H HB2  . ARG   A 1 192 ? 4.390   6.511   -30.884 1.00 6.18  ? 192 ARG   A HB2  1 
ATOM   3376 H HB3  . ARG   A 1 192 ? 3.136   5.560   -31.104 1.00 6.18  ? 192 ARG   A HB3  1 
ATOM   3377 H HG2  . ARG   A 1 192 ? 4.493   3.702   -30.967 1.00 6.97  ? 192 ARG   A HG2  1 
ATOM   3378 H HG3  . ARG   A 1 192 ? 5.775   4.629   -30.819 1.00 6.97  ? 192 ARG   A HG3  1 
ATOM   3379 H HD2  . ARG   A 1 192 ? 3.730   4.406   -28.895 1.00 7.51  ? 192 ARG   A HD2  1 
ATOM   3380 H HD3  . ARG   A 1 192 ? 5.192   3.803   -28.744 1.00 7.51  ? 192 ARG   A HD3  1 
ATOM   3381 H HE   . ARG   A 1 192 ? 5.543   6.329   -29.031 1.00 6.69  ? 192 ARG   A HE   1 
ATOM   3382 H HH11 . ARG   A 1 192 ? 4.145   4.504   -26.664 1.00 7.61  ? 192 ARG   A HH11 1 
ATOM   3383 H HH12 . ARG   A 1 192 ? 4.264   5.529   -25.589 1.00 7.61  ? 192 ARG   A HH12 1 
ATOM   3384 H HH21 . ARG   A 1 192 ? 5.703   7.862   -27.406 1.00 8.06  ? 192 ARG   A HH21 1 
ATOM   3385 H HH22 . ARG   A 1 192 ? 5.206   7.558   -26.036 1.00 8.06  ? 192 ARG   A HH22 1 
ATOM   3386 N N    . PHE   A 1 193 ? 2.362   4.797   -33.968 1.00 4.46  ? 193 PHE   A N    1 
ATOM   3387 C CA   . PHE   A 1 193 ? 1.539   3.696   -34.442 1.00 4.93  ? 193 PHE   A CA   1 
ATOM   3388 C C    . PHE   A 1 193 ? 1.085   3.825   -35.887 1.00 5.13  ? 193 PHE   A C    1 
ATOM   3389 O O    . PHE   A 1 193 ? 0.342   2.959   -36.359 1.00 5.93  ? 193 PHE   A O    1 
ATOM   3390 C CB   . PHE   A 1 193 ? 0.313   3.500   -33.531 1.00 4.96  ? 193 PHE   A CB   1 
ATOM   3391 C CG   . PHE   A 1 193 ? 0.678   2.999   -32.152 1.00 4.21  ? 193 PHE   A CG   1 
ATOM   3392 C CD1  . PHE   A 1 193 ? 0.886   1.663   -31.922 1.00 6.32  ? 193 PHE   A CD1  1 
ATOM   3393 C CD2  . PHE   A 1 193 ? 0.844   3.872   -31.091 1.00 4.55  ? 193 PHE   A CD2  1 
ATOM   3394 C CE1  . PHE   A 1 193 ? 1.228   1.204   -30.646 1.00 6.43  ? 193 PHE   A CE1  1 
ATOM   3395 C CE2  . PHE   A 1 193 ? 1.194   3.427   -29.831 1.00 5.21  ? 193 PHE   A CE2  1 
ATOM   3396 C CZ   . PHE   A 1 193 ? 1.372   2.098   -29.612 1.00 6.11  ? 193 PHE   A CZ   1 
ATOM   3397 H H    . PHE   A 1 193 ? 1.969   5.560   -34.015 1.00 5.36  ? 193 PHE   A H    1 
ATOM   3398 H HA   . PHE   A 1 193 ? 2.078   2.890   -34.390 1.00 5.92  ? 193 PHE   A HA   1 
ATOM   3399 H HB2  . PHE   A 1 193 ? -0.143  4.350   -33.429 1.00 5.96  ? 193 PHE   A HB2  1 
ATOM   3400 H HB3  . PHE   A 1 193 ? -0.281  2.850   -33.938 1.00 5.96  ? 193 PHE   A HB3  1 
ATOM   3401 H HD1  . PHE   A 1 193 ? 0.799   1.057   -32.622 1.00 7.59  ? 193 PHE   A HD1  1 
ATOM   3402 H HD2  . PHE   A 1 193 ? 0.717   4.783   -31.230 1.00 5.46  ? 193 PHE   A HD2  1 
ATOM   3403 H HE1  . PHE   A 1 193 ? 1.357   0.295   -30.497 1.00 7.72  ? 193 PHE   A HE1  1 
ATOM   3404 H HE2  . PHE   A 1 193 ? 1.308   4.034   -29.136 1.00 6.25  ? 193 PHE   A HE2  1 
ATOM   3405 H HZ   . PHE   A 1 193 ? 1.592   1.793   -28.762 1.00 7.33  ? 193 PHE   A HZ   1 
ATOM   3406 N N    . LYS   A 1 194 ? 1.503   4.851   -36.624 1.00 5.20  ? 194 LYS   A N    1 
ATOM   3407 C CA   . LYS   A 1 194 ? 0.937   5.076   -37.948 1.00 5.53  ? 194 LYS   A CA   1 
ATOM   3408 C C    . LYS   A 1 194 ? 1.243   3.955   -38.933 1.00 6.03  ? 194 LYS   A C    1 
ATOM   3409 O O    . LYS   A 1 194 ? 0.484   3.775   -39.883 1.00 8.73  ? 194 LYS   A O    1 
ATOM   3410 C CB   . LYS   A 1 194 ? 1.369   6.426   -38.501 1.00 5.88  ? 194 LYS   A CB   1 
ATOM   3411 C CG   . LYS   A 1 194 ? 2.856   6.562   -38.807 1.00 6.00  ? 194 LYS   A CG   1 
ATOM   3412 C CD   . LYS   A 1 194 ? 3.165   7.933   -39.343 1.00 6.34  ? 194 LYS   A CD   1 
ATOM   3413 C CE   . LYS   A 1 194 ? 4.628   8.075   -39.680 1.00 7.60  ? 194 LYS   A CE   1 
ATOM   3414 N NZ   . LYS   A 1 194 ? 4.941   9.449   -40.102 1.00 7.31  ? 194 LYS   A NZ   1 
ATOM   3415 H H    . LYS   A 1 194 ? 2.102   5.420   -36.385 1.00 6.24  ? 194 LYS   A H    1 
ATOM   3416 H HA   . LYS   A 1 194 ? -0.028  5.098   -37.847 1.00 6.64  ? 194 LYS   A HA   1 
ATOM   3417 H HB2  . LYS   A 1 194 ? 0.888   6.586   -39.328 1.00 7.06  ? 194 LYS   A HB2  1 
ATOM   3418 H HB3  . LYS   A 1 194 ? 1.145   7.109   -37.850 1.00 7.06  ? 194 LYS   A HB3  1 
ATOM   3419 H HG2  . LYS   A 1 194 ? 3.368   6.426   -37.995 1.00 7.19  ? 194 LYS   A HG2  1 
ATOM   3420 H HG3  . LYS   A 1 194 ? 3.111   5.906   -39.475 1.00 7.19  ? 194 LYS   A HG3  1 
ATOM   3421 H HD2  . LYS   A 1 194 ? 2.650   8.087   -40.150 1.00 7.61  ? 194 LYS   A HD2  1 
ATOM   3422 H HD3  . LYS   A 1 194 ? 2.940   8.598   -38.674 1.00 7.61  ? 194 LYS   A HD3  1 
ATOM   3423 H HE2  . LYS   A 1 194 ? 5.161   7.865   -38.897 1.00 9.11  ? 194 LYS   A HE2  1 
ATOM   3424 H HE3  . LYS   A 1 194 ? 4.853   7.472   -40.406 1.00 9.11  ? 194 LYS   A HE3  1 
ATOM   3425 H HZ1  . LYS   A 1 194 ? 5.815   9.530   -40.250 1.00 8.77  ? 194 LYS   A HZ1  1 
ATOM   3426 H HZ2  . LYS   A 1 194 ? 4.502   9.645   -40.851 1.00 8.77  ? 194 LYS   A HZ2  1 
ATOM   3427 H HZ3  . LYS   A 1 194 ? 4.701   10.025  -39.468 1.00 8.77  ? 194 LYS   A HZ3  1 
ATOM   3428 N N    . THR   A 1 195 ? 2.321   3.199   -38.750 1.00 6.19  ? 195 THR   A N    1 
ATOM   3429 C CA   . THR   A 1 195 ? 2.563   2.026   -39.597 1.00 9.02  ? 195 THR   A CA   1 
ATOM   3430 C C    . THR   A 1 195 ? 2.112   0.720   -38.951 1.00 7.89  ? 195 THR   A C    1 
ATOM   3431 O O    . THR   A 1 195 ? 2.025   -0.294  -39.636 1.00 16.65 ? 195 THR   A O    1 
ATOM   3432 C CB   . THR   A 1 195 ? 4.025   1.931   -40.078 1.00 12.45 ? 195 THR   A CB   1 
ATOM   3433 O OG1  . THR   A 1 195 ? 4.902   1.805   -38.974 1.00 12.78 ? 195 THR   A OG1  1 
ATOM   3434 C CG2  . THR   A 1 195 ? 4.385   3.153   -40.866 1.00 15.04 ? 195 THR   A CG2  1 
ATOM   3435 H H    . THR   A 1 195 ? 2.921   3.340   -38.150 1.00 7.43  ? 195 THR   A H    1 
ATOM   3436 H HA   . THR   A 1 195 ? 2.049   2.141   -40.411 1.00 10.83 ? 195 THR   A HA   1 
ATOM   3437 H HB   . THR   A 1 195 ? 4.127   1.150   -40.644 1.00 14.94 ? 195 THR   A HB   1 
ATOM   3438 H HG1  . THR   A 1 195 ? 4.784   1.064   -38.597 1.00 15.34 ? 195 THR   A HG1  1 
ATOM   3439 H HG21 . THR   A 1 195 ? 5.273   3.055   -41.244 1.00 18.05 ? 195 THR   A HG21 1 
ATOM   3440 H HG22 . THR   A 1 195 ? 3.748   3.283   -41.586 1.00 18.05 ? 195 THR   A HG22 1 
ATOM   3441 H HG23 . THR   A 1 195 ? 4.373   3.934   -40.291 1.00 18.05 ? 195 THR   A HG23 1 
ATOM   3442 N N    . LYS   A 1 196 ? 1.840   0.694   -37.678 1.00 6.25  ? 196 LYS   A N    1 
ATOM   3443 C CA   . LYS   A 1 196 ? 1.436   -0.496  -36.940 1.00 6.16  ? 196 LYS   A CA   1 
ATOM   3444 C C    . LYS   A 1 196 ? -0.079  -0.722  -37.000 1.00 5.63  ? 196 LYS   A C    1 
ATOM   3445 O O    . LYS   A 1 196 ? -0.535  -1.874  -37.053 1.00 8.07  ? 196 LYS   A O    1 
ATOM   3446 C CB   . LYS   A 1 196 ? 1.908   -0.327  -35.485 1.00 6.32  ? 196 LYS   A CB   1 
ATOM   3447 C CG   . LYS   A 1 196 ? 1.536   -1.433  -34.515 1.00 6.80  ? 196 LYS   A CG   1 
ATOM   3448 C CD   . LYS   A 1 196 ? 2.112   -2.781  -34.871 1.00 6.40  ? 196 LYS   A CD   1 
ATOM   3449 C CE   . LYS   A 1 196 ? 3.606   -2.786  -35.077 1.00 5.31  ? 196 LYS   A CE   1 
ATOM   3450 N NZ   . LYS   A 1 196 ? 4.082   -4.145  -35.386 1.00 5.38  ? 196 LYS   A NZ   1 
ATOM   3451 H H    . LYS   A 1 196 ? 1.881   1.389   -37.174 1.00 7.50  ? 196 LYS   A H    1 
ATOM   3452 H HA   . LYS   A 1 196 ? 1.851   -1.290  -37.312 1.00 7.39  ? 196 LYS   A HA   1 
ATOM   3453 H HB2  . LYS   A 1 196 ? 2.876   -0.266  -35.489 1.00 7.59  ? 196 LYS   A HB2  1 
ATOM   3454 H HB3  . LYS   A 1 196 ? 1.525   0.494   -35.139 1.00 7.59  ? 196 LYS   A HB3  1 
ATOM   3455 H HG2  . LYS   A 1 196 ? 1.864   -1.197  -33.633 1.00 8.16  ? 196 LYS   A HG2  1 
ATOM   3456 H HG3  . LYS   A 1 196 ? 0.570   -1.521  -34.497 1.00 8.16  ? 196 LYS   A HG3  1 
ATOM   3457 H HD2  . LYS   A 1 196 ? 1.914   -3.403  -34.153 1.00 7.68  ? 196 LYS   A HD2  1 
ATOM   3458 H HD3  . LYS   A 1 196 ? 1.702   -3.085  -35.696 1.00 7.68  ? 196 LYS   A HD3  1 
ATOM   3459 H HE2  . LYS   A 1 196 ? 3.833   -2.204  -35.819 1.00 6.37  ? 196 LYS   A HE2  1 
ATOM   3460 H HE3  . LYS   A 1 196 ? 4.046   -2.481  -34.269 1.00 6.37  ? 196 LYS   A HE3  1 
ATOM   3461 H HZ1  . LYS   A 1 196 ? 4.940   -4.121  -35.621 1.00 6.45  ? 196 LYS   A HZ1  1 
ATOM   3462 H HZ2  . LYS   A 1 196 ? 3.992   -4.668  -34.672 1.00 6.45  ? 196 LYS   A HZ2  1 
ATOM   3463 H HZ3  . LYS   A 1 196 ? 3.608   -4.488  -36.057 1.00 6.45  ? 196 LYS   A HZ3  1 
ATOM   3464 N N    . ALA   A 1 197 ? -0.879  0.340   -36.908 1.00 5.21  ? 197 ALA   A N    1 
ATOM   3465 C CA   . ALA   A 1 197 ? -2.325  0.253   -36.753 1.00 4.60  ? 197 ALA   A CA   1 
ATOM   3466 C C    . ALA   A 1 197 ? -3.041  0.819   -37.969 1.00 4.60  ? 197 ALA   A C    1 
ATOM   3467 O O    . ALA   A 1 197 ? -2.579  1.788   -38.562 1.00 6.38  ? 197 ALA   A O    1 
ATOM   3468 C CB   . ALA   A 1 197 ? -2.771  1.057   -35.528 1.00 5.04  ? 197 ALA   A CB   1 
ATOM   3469 H H    . ALA   A 1 197 ? -0.594  1.151   -36.934 1.00 6.26  ? 197 ALA   A H    1 
ATOM   3470 H HA   . ALA   A 1 197 ? -2.574  -0.679  -36.657 1.00 5.52  ? 197 ALA   A HA   1 
ATOM   3471 H HB1  . ALA   A 1 197 ? -3.728  0.950   -35.412 1.00 6.05  ? 197 ALA   A HB1  1 
ATOM   3472 H HB2  . ALA   A 1 197 ? -2.304  0.726   -34.746 1.00 6.05  ? 197 ALA   A HB2  1 
ATOM   3473 H HB3  . ALA   A 1 197 ? -2.558  1.993   -35.670 1.00 6.05  ? 197 ALA   A HB3  1 
ATOM   3474 N N    . THR   A 1 198 ? -4.212  0.239   -38.281 1.00 4.26  ? 198 THR   A N    1 
ATOM   3475 C CA   . THR   A 1 198 ? -5.107  0.762   -39.307 1.00 4.67  ? 198 THR   A CA   1 
ATOM   3476 C C    . THR   A 1 198 ? -6.519  0.774   -38.735 1.00 3.92  ? 198 THR   A C    1 
ATOM   3477 O O    . THR   A 1 198 ? -7.026  -0.286  -38.325 1.00 4.68  ? 198 THR   A O    1 
ATOM   3478 C CB   . THR   A 1 198 ? -5.062  -0.073  -40.591 1.00 5.73  ? 198 THR   A CB   1 
ATOM   3479 O OG1  . THR   A 1 198 ? -3.709  -0.103  -41.079 1.00 7.19  ? 198 THR   A OG1  1 
ATOM   3480 C CG2  . THR   A 1 198 ? -5.983  0.532   -41.647 1.00 7.20  ? 198 THR   A CG2  1 
ATOM   3481 H H    . THR   A 1 198 ? -4.508  -0.473  -37.901 1.00 5.11  ? 198 THR   A H    1 
ATOM   3482 H HA   . THR   A 1 198 ? -4.842  1.667   -39.533 1.00 5.60  ? 198 THR   A HA   1 
ATOM   3483 H HB   . THR   A 1 198 ? -5.363  -0.978  -40.415 1.00 6.87  ? 198 THR   A HB   1 
ATOM   3484 H HG1  . THR   A 1 198 ? -3.204  -0.451  -40.505 1.00 8.63  ? 198 THR   A HG1  1 
ATOM   3485 H HG21 . THR   A 1 198 ? -5.984  -0.023  -42.443 1.00 8.63  ? 198 THR   A HG21 1 
ATOM   3486 H HG22 . THR   A 1 198 ? -6.888  0.592   -41.303 1.00 8.63  ? 198 THR   A HG22 1 
ATOM   3487 H HG23 . THR   A 1 198 ? -5.676  1.421   -41.884 1.00 8.63  ? 198 THR   A HG23 1 
ATOM   3488 N N    . LEU   A 1 199 ? -7.164  1.936   -38.700 1.00 4.47  ? 199 LEU   A N    1 
ATOM   3489 C CA   . LEU   A 1 199 ? -8.490  2.080   -38.096 1.00 4.48  ? 199 LEU   A CA   1 
ATOM   3490 C C    . LEU   A 1 199 ? -9.569  2.140   -39.168 1.00 4.83  ? 199 LEU   A C    1 
ATOM   3491 O O    . LEU   A 1 199 ? -9.440  2.848   -40.167 1.00 5.62  ? 199 LEU   A O    1 
ATOM   3492 C CB   . LEU   A 1 199 ? -8.553  3.352   -37.248 1.00 4.31  ? 199 LEU   A CB   1 
ATOM   3493 C CG   . LEU   A 1 199 ? -7.515  3.465   -36.147 1.00 5.02  ? 199 LEU   A CG   1 
ATOM   3494 C CD1  . LEU   A 1 199 ? -7.828  4.686   -35.292 1.00 5.81  ? 199 LEU   A CD1  1 
ATOM   3495 C CD2  . LEU   A 1 199 ? -7.457  2.220   -35.294 1.00 5.35  ? 199 LEU   A CD2  1 
ATOM   3496 H H    . LEU   A 1 199 ? -6.852  2.669   -39.025 1.00 5.36  ? 199 LEU   A H    1 
ATOM   3497 H HA   . LEU   A 1 199 ? -8.665  1.309   -37.534 1.00 5.38  ? 199 LEU   A HA   1 
ATOM   3498 H HB2  . LEU   A 1 199 ? -8.434  4.114   -37.836 1.00 5.17  ? 199 LEU   A HB2  1 
ATOM   3499 H HB3  . LEU   A 1 199 ? -9.426  3.391   -36.826 1.00 5.17  ? 199 LEU   A HB3  1 
ATOM   3500 H HG   . LEU   A 1 199 ? -6.637  3.565   -36.549 1.00 6.02  ? 199 LEU   A HG   1 
ATOM   3501 H HD11 . LEU   A 1 199 ? -7.135  4.790   -34.622 1.00 6.97  ? 199 LEU   A HD11 1 
ATOM   3502 H HD12 . LEU   A 1 199 ? -7.858  5.471   -35.861 1.00 6.97  ? 199 LEU   A HD12 1 
ATOM   3503 H HD13 . LEU   A 1 199 ? -8.688  4.558   -34.861 1.00 6.97  ? 199 LEU   A HD13 1 
ATOM   3504 H HD21 . LEU   A 1 199 ? -6.815  2.357   -34.579 1.00 6.42  ? 199 LEU   A HD21 1 
ATOM   3505 H HD22 . LEU   A 1 199 ? -8.336  2.052   -34.921 1.00 6.42  ? 199 LEU   A HD22 1 
ATOM   3506 H HD23 . LEU   A 1 199 ? -7.183  1.471   -35.846 1.00 6.42  ? 199 LEU   A HD23 1 
ATOM   3507 N N    . THR   A 1 200 ? -10.657 1.421   -38.916 1.00 4.61  ? 200 THR   A N    1 
ATOM   3508 C CA   . THR   A 1 200 ? -11.876 1.487   -39.727 1.00 4.94  ? 200 THR   A CA   1 
ATOM   3509 C C    . THR   A 1 200 ? -13.091 1.440   -38.799 1.00 5.29  ? 200 THR   A C    1 
ATOM   3510 O O    . THR   A 1 200 ? -12.968 1.176   -37.591 1.00 4.48  ? 200 THR   A O    1 
ATOM   3511 C CB   . THR   A 1 200 ? -11.939 0.350   -40.753 1.00 6.22  ? 200 THR   A CB   1 
ATOM   3512 O OG1  . THR   A 1 200 ? -11.832 -0.890  -40.055 1.00 6.41  ? 200 THR   A OG1  1 
ATOM   3513 C CG2  . THR   A 1 200 ? -10.868 0.468   -41.803 1.00 7.09  ? 200 THR   A CG2  1 
ATOM   3514 H H    . THR   A 1 200 ? -10.720 0.869   -38.259 1.00 5.53  ? 200 THR   A H    1 
ATOM   3515 H HA   . THR   A 1 200 ? -11.891 2.328   -40.210 1.00 5.92  ? 200 THR   A HA   1 
ATOM   3516 H HB   . THR   A 1 200 ? -12.781 0.390   -41.233 1.00 7.46  ? 200 THR   A HB   1 
ATOM   3517 H HG1  . THR   A 1 200 ? -12.297 -1.476  -40.438 1.00 7.69  ? 200 THR   A HG1  1 
ATOM   3518 H HG21 . THR   A 1 200 ? -10.994 -0.211  -42.484 1.00 8.51  ? 200 THR   A HG21 1 
ATOM   3519 H HG22 . THR   A 1 200 ? -10.906 1.343   -42.219 1.00 8.51  ? 200 THR   A HG22 1 
ATOM   3520 H HG23 . THR   A 1 200 ? -9.993  0.350   -41.399 1.00 8.51  ? 200 THR   A HG23 1 
ATOM   3521 N N    . VAL   A 1 201 ? -14.282 1.698   -39.349 1.00 5.62  ? 201 VAL   A N    1 
ATOM   3522 C CA   A VAL   A 1 201 ? -15.507 1.654   -38.555 0.65 6.09  ? 201 VAL   A CA   1 
ATOM   3523 C CA   B VAL   A 1 201 ? -15.505 1.685   -38.558 0.35 8.14  ? 201 VAL   A CA   1 
ATOM   3524 C C    . VAL   A 1 201 ? -16.663 1.251   -39.444 1.00 8.87  ? 201 VAL   A C    1 
ATOM   3525 O O    . VAL   A 1 201 ? -16.631 1.448   -40.671 1.00 13.55 ? 201 VAL   A O    1 
ATOM   3526 C CB   A VAL   A 1 201 ? -15.891 2.990   -37.890 0.65 11.91 ? 201 VAL   A CB   1 
ATOM   3527 C CB   B VAL   A 1 201 ? -15.741 3.103   -38.002 0.35 12.94 ? 201 VAL   A CB   1 
ATOM   3528 C CG1  A VAL   A 1 201 ? -14.849 3.464   -36.975 0.65 15.93 ? 201 VAL   A CG1  1 
ATOM   3529 C CG1  B VAL   A 1 201 ? -16.471 3.959   -39.042 0.35 17.62 ? 201 VAL   A CG1  1 
ATOM   3530 C CG2  A VAL   A 1 201 ? -16.123 4.046   -38.945 0.65 15.41 ? 201 VAL   A CG2  1 
ATOM   3531 C CG2  B VAL   A 1 201 ? -16.496 3.042   -36.707 0.35 6.21  ? 201 VAL   A CG2  1 
ATOM   3532 H H    A VAL   A 1 201 ? -14.401 1.901   -40.176 0.65 6.75  ? 201 VAL   A H    1 
ATOM   3533 H H    B VAL   A 1 201 ? -14.401 1.884   -40.180 0.35 6.75  ? 201 VAL   A H    1 
ATOM   3534 H HA   A VAL   A 1 201 ? -15.349 0.990   -37.865 0.65 7.30  ? 201 VAL   A HA   1 
ATOM   3535 H HA   B VAL   A 1 201 ? -15.453 1.039   -37.837 0.35 9.76  ? 201 VAL   A HA   1 
ATOM   3536 H HB   A VAL   A 1 201 ? -16.703 2.841   -37.380 0.65 14.29 ? 201 VAL   A HB   1 
ATOM   3537 H HB   B VAL   A 1 201 ? -14.887 3.524   -37.818 0.35 15.52 ? 201 VAL   A HB   1 
ATOM   3538 H HG11 A VAL   A 1 201 ? -15.130 4.307   -36.586 0.65 19.11 ? 201 VAL   A HG11 1 
ATOM   3539 H HG11 B VAL   A 1 201 ? -16.345 4.896   -38.824 0.35 21.14 ? 201 VAL   A HG11 1 
ATOM   3540 H HG12 A VAL   A 1 201 ? -14.719 2.804   -36.276 0.65 19.11 ? 201 VAL   A HG12 1 
ATOM   3541 H HG12 B VAL   A 1 201 ? -16.105 3.771   -39.920 0.35 21.14 ? 201 VAL   A HG12 1 
ATOM   3542 H HG13 A VAL   A 1 201 ? -14.025 3.587   -37.472 0.65 19.11 ? 201 VAL   A HG13 1 
ATOM   3543 H HG13 B VAL   A 1 201 ? -17.416 3.740   -39.024 0.35 21.14 ? 201 VAL   A HG13 1 
ATOM   3544 H HG21 A VAL   A 1 201 ? -15.951 4.920   -38.561 0.65 18.49 ? 201 VAL   A HG21 1 
ATOM   3545 H HG21 B VAL   A 1 201 ? -16.459 3.911   -36.278 0.35 7.46  ? 201 VAL   A HG21 1 
ATOM   3546 H HG22 A VAL   A 1 201 ? -15.520 3.887   -39.688 0.65 18.49 ? 201 VAL   A HG22 1 
ATOM   3547 H HG22 B VAL   A 1 201 ? -17.418 2.803   -36.890 0.35 7.46  ? 201 VAL   A HG22 1 
ATOM   3548 H HG23 A VAL   A 1 201 ? -17.043 3.993   -39.249 0.65 18.49 ? 201 VAL   A HG23 1 
ATOM   3549 H HG23 B VAL   A 1 201 ? -16.088 2.373   -36.135 0.35 7.46  ? 201 VAL   A HG23 1 
ATOM   3550 N N    . ASP   A 1 202 ? -17.713 0.712   -38.815 1.00 9.27  ? 202 ASP   A N    1 
ATOM   3551 C CA   . ASP   A 1 202 ? -18.970 0.417   -39.482 1.00 10.61 ? 202 ASP   A CA   1 
ATOM   3552 C C    . ASP   A 1 202 ? -20.113 0.937   -38.635 1.00 9.39  ? 202 ASP   A C    1 
ATOM   3553 O O    . ASP   A 1 202 ? -20.329 0.453   -37.524 1.00 9.65  ? 202 ASP   A O    1 
ATOM   3554 C CB   . ASP   A 1 202 ? -19.125 -1.072  -39.682 1.00 11.35 ? 202 ASP   A CB   1 
ATOM   3555 C CG   . ASP   A 1 202 ? -20.358 -1.384  -40.468 1.00 12.51 ? 202 ASP   A CG   1 
ATOM   3556 O OD1  . ASP   A 1 202 ? -20.395 -1.078  -41.680 1.00 15.93 ? 202 ASP   A OD1  1 
ATOM   3557 O OD2  . ASP   A 1 202 ? -21.332 -1.853  -39.873 1.00 11.17 ? 202 ASP   A OD2  1 
ATOM   3558 H H    . ASP   A 1 202 ? -17.715 0.505   -37.981 1.00 11.12 ? 202 ASP   A H    1 
ATOM   3559 H HA   . ASP   A 1 202 ? -18.992 0.865   -40.342 1.00 12.73 ? 202 ASP   A HA   1 
ATOM   3560 H HB2  . ASP   A 1 202 ? -18.357 -1.414  -40.166 1.00 13.62 ? 202 ASP   A HB2  1 
ATOM   3561 H HB3  . ASP   A 1 202 ? -19.193 -1.508  -38.818 1.00 13.62 ? 202 ASP   A HB3  1 
ATOM   3562 N N    . LYS   A 1 203 ? -20.876 1.892   -39.172 1.00 8.29  ? 203 LYS   A N    1 
ATOM   3563 C CA   A LYS   A 1 203 ? -21.925 2.518   -38.372 0.40 8.87  ? 203 LYS   A CA   1 
ATOM   3564 C CA   B LYS   A 1 203 ? -21.926 2.518   -38.373 0.60 8.42  ? 203 LYS   A CA   1 
ATOM   3565 C C    . LYS   A 1 203 ? -23.108 1.597   -38.115 1.00 6.66  ? 203 LYS   A C    1 
ATOM   3566 O O    . LYS   A 1 203 ? -23.595 1.562   -36.976 1.00 7.62  ? 203 LYS   A O    1 
ATOM   3567 C CB   A LYS   A 1 203 ? -22.354 3.844   -39.003 0.40 11.24 ? 203 LYS   A CB   1 
ATOM   3568 C CB   B LYS   A 1 203 ? -22.359 3.842   -39.008 0.60 9.36  ? 203 LYS   A CB   1 
ATOM   3569 C CG   A LYS   A 1 203 ? -21.311 4.938   -38.848 0.40 14.45 ? 203 LYS   A CG   1 
ATOM   3570 C CG   B LYS   A 1 203 ? -21.323 4.945   -38.828 0.60 13.63 ? 203 LYS   A CG   1 
ATOM   3571 C CD   A LYS   A 1 203 ? -21.902 6.311   -39.088 0.40 19.67 ? 203 LYS   A CD   1 
ATOM   3572 C CD   B LYS   A 1 203 ? -21.894 6.322   -39.111 0.60 19.02 ? 203 LYS   A CD   1 
ATOM   3573 C CE   A LYS   A 1 203 ? -21.698 6.744   -40.518 0.40 23.96 ? 203 LYS   A CE   1 
ATOM   3574 C CE   B LYS   A 1 203 ? -21.926 6.622   -40.585 0.60 24.91 ? 203 LYS   A CE   1 
ATOM   3575 N NZ   A LYS   A 1 203 ? -22.092 5.690   -41.492 0.40 24.45 ? 203 LYS   A NZ   1 
ATOM   3576 N NZ   B LYS   A 1 203 ? -22.104 8.091   -40.819 0.60 26.87 ? 203 LYS   A NZ   1 
ATOM   3577 H H    . LYS   A 1 203 ? -20.811 2.191   -39.976 1.00 9.95  ? 203 LYS   A H    1 
ATOM   3578 H HA   . LYS   A 1 203 ? -21.534 2.716   -37.507 1.00 10.11 ? 203 LYS   A HA   1 
ATOM   3579 H HB2  A LYS   A 1 203 ? -22.506 3.707   -39.951 0.40 13.49 ? 203 LYS   A HB2  1 
ATOM   3580 H HB2  B LYS   A 1 203 ? -22.494 3.708   -39.959 0.60 11.23 ? 203 LYS   A HB2  1 
ATOM   3581 H HB3  A LYS   A 1 203 ? -23.170 4.146   -38.576 0.40 13.49 ? 203 LYS   A HB3  1 
ATOM   3582 H HB3  B LYS   A 1 203 ? -23.186 4.136   -38.593 0.60 11.23 ? 203 LYS   A HB3  1 
ATOM   3583 H HG2  A LYS   A 1 203 ? -20.953 4.914   -37.948 0.40 17.34 ? 203 LYS   A HG2  1 
ATOM   3584 H HG2  B LYS   A 1 203 ? -21.001 4.934   -37.913 0.60 16.36 ? 203 LYS   A HG2  1 
ATOM   3585 H HG3  A LYS   A 1 203 ? -20.600 4.796   -39.493 0.40 17.34 ? 203 LYS   A HG3  1 
ATOM   3586 H HG3  B LYS   A 1 203 ? -20.586 4.792   -39.441 0.60 16.36 ? 203 LYS   A HG3  1 
ATOM   3587 H HD2  A LYS   A 1 203 ? -22.855 6.289   -38.906 0.40 23.60 ? 203 LYS   A HD2  1 
ATOM   3588 H HD2  B LYS   A 1 203 ? -22.802 6.367   -38.772 0.60 22.82 ? 203 LYS   A HD2  1 
ATOM   3589 H HD3  A LYS   A 1 203 ? -21.468 6.956   -38.507 0.40 23.60 ? 203 LYS   A HD3  1 
ATOM   3590 H HD3  B LYS   A 1 203 ? -21.344 6.992   -38.676 0.60 22.82 ? 203 LYS   A HD3  1 
ATOM   3591 H HE2  A LYS   A 1 203 ? -22.238 7.531   -40.692 0.40 28.76 ? 203 LYS   A HE2  1 
ATOM   3592 H HE2  B LYS   A 1 203 ? -21.091 6.343   -40.991 0.60 29.89 ? 203 LYS   A HE2  1 
ATOM   3593 H HE3  A LYS   A 1 203 ? -20.760 6.947   -40.658 0.40 28.76 ? 203 LYS   A HE3  1 
ATOM   3594 H HE3  B LYS   A 1 203 ? -22.668 6.151   -40.996 0.60 29.89 ? 203 LYS   A HE3  1 
ATOM   3595 H HZ1  A LYS   A 1 203 ? -21.494 5.031   -41.486 0.40 29.34 ? 203 LYS   A HZ1  1 
ATOM   3596 H HZ1  B LYS   A 1 203 ? -21.430 8.541   -40.453 0.60 32.24 ? 203 LYS   A HZ1  1 
ATOM   3597 H HZ2  A LYS   A 1 203 ? -22.889 5.359   -41.276 0.40 29.34 ? 203 LYS   A HZ2  1 
ATOM   3598 H HZ2  B LYS   A 1 203 ? -22.125 8.259   -41.692 0.60 32.24 ? 203 LYS   A HZ2  1 
ATOM   3599 H HZ3  A LYS   A 1 203 ? -22.135 6.034   -42.312 0.40 29.34 ? 203 LYS   A HZ3  1 
ATOM   3600 H HZ3  B LYS   A 1 203 ? -22.868 8.367   -40.453 0.60 32.24 ? 203 LYS   A HZ3  1 
ATOM   3601 N N    . PRO   A 1 204 ? -23.661 0.873   -39.103 1.00 7.52  ? 204 PRO   A N    1 
ATOM   3602 C CA   A PRO   A 1 204 ? -24.876 0.087   -38.844 0.59 7.69  ? 204 PRO   A CA   1 
ATOM   3603 C CA   B PRO   A 1 204 ? -24.890 0.122   -38.807 0.41 7.38  ? 204 PRO   A CA   1 
ATOM   3604 C C    . PRO   A 1 204 ? -24.687 -0.994  -37.806 1.00 7.05  ? 204 PRO   A C    1 
ATOM   3605 O O    . PRO   A 1 204 ? -25.667 -1.415  -37.192 1.00 7.81  ? 204 PRO   A O    1 
ATOM   3606 C CB   A PRO   A 1 204 ? -25.215 -0.492  -40.220 0.59 11.05 ? 204 PRO   A CB   1 
ATOM   3607 C CB   B PRO   A 1 204 ? -25.345 -0.394  -40.173 0.41 10.45 ? 204 PRO   A CB   1 
ATOM   3608 C CG   A PRO   A 1 204 ? -24.607 0.456   -41.201 0.59 8.91  ? 204 PRO   A CG   1 
ATOM   3609 C CG   B PRO   A 1 204 ? -24.133 -0.473  -40.952 0.41 9.35  ? 204 PRO   A CG   1 
ATOM   3610 C CD   A PRO   A 1 204 ? -23.361 0.974   -40.546 0.59 7.52  ? 204 PRO   A CD   1 
ATOM   3611 C CD   B PRO   A 1 204 ? -23.234 0.664   -40.498 0.41 10.73 ? 204 PRO   A CD   1 
ATOM   3612 H HA   A PRO   A 1 204 ? -25.598 0.669   -38.561 0.59 9.23  ? 204 PRO   A HA   1 
ATOM   3613 H HA   B PRO   A 1 204 ? -25.575 0.722   -38.472 0.41 8.85  ? 204 PRO   A HA   1 
ATOM   3614 H HB2  A PRO   A 1 204 ? -24.831 -1.378  -40.309 0.59 13.26 ? 204 PRO   A HB2  1 
ATOM   3615 H HB2  B PRO   A 1 204 ? -25.756 -1.267  -40.078 0.41 12.54 ? 204 PRO   A HB2  1 
ATOM   3616 H HB3  A PRO   A 1 204 ? -26.178 -0.536  -40.331 0.59 13.26 ? 204 PRO   A HB3  1 
ATOM   3617 H HB3  B PRO   A 1 204 ? -25.974 0.228   -40.570 0.41 12.54 ? 204 PRO   A HB3  1 
ATOM   3618 H HG2  A PRO   A 1 204 ? -24.393 -0.014  -42.022 0.59 10.69 ? 204 PRO   A HG2  1 
ATOM   3619 H HG2  B PRO   A 1 204 ? -23.704 -1.329  -40.793 0.41 11.22 ? 204 PRO   A HG2  1 
ATOM   3620 H HG3  A PRO   A 1 204 ? -25.225 1.180   -41.384 0.59 10.69 ? 204 PRO   A HG3  1 
ATOM   3621 H HG3  B PRO   A 1 204 ? -24.349 -0.380  -41.893 0.41 11.22 ? 204 PRO   A HG3  1 
ATOM   3622 H HD2  A PRO   A 1 204 ? -22.596 0.424   -40.777 0.59 9.02  ? 204 PRO   A HD2  1 
ATOM   3623 H HD2  B PRO   A 1 204 ? -22.299 0.407   -40.541 0.41 12.87 ? 204 PRO   A HD2  1 
ATOM   3624 H HD3  A PRO   A 1 204 ? -23.196 1.896   -40.799 0.59 9.02  ? 204 PRO   A HD3  1 
ATOM   3625 H HD3  B PRO   A 1 204 ? -23.384 1.460   -41.031 0.41 12.87 ? 204 PRO   A HD3  1 
ATOM   3626 N N    . SER   A 1 205 ? -23.450 -1.458  -37.599 1.00 6.78  ? 205 SER   A N    1 
ATOM   3627 C CA   . SER   A 1 205 ? -23.133 -2.447  -36.578 1.00 5.96  ? 205 SER   A CA   1 
ATOM   3628 C C    . SER   A 1 205 ? -22.469 -1.811  -35.369 1.00 5.69  ? 205 SER   A C    1 
ATOM   3629 O O    . SER   A 1 205 ? -22.048 -2.535  -34.460 1.00 5.77  ? 205 SER   A O    1 
ATOM   3630 C CB   . SER   A 1 205 ? -22.238 -3.545  -37.136 1.00 7.42  ? 205 SER   A CB   1 
ATOM   3631 O OG   . SER   A 1 205 ? -20.968 -3.028  -37.460 1.00 8.72  ? 205 SER   A OG   1 
ATOM   3632 H H    . SER   A 1 205 ? -22.764 -1.206  -38.052 1.00 8.13  ? 205 SER   A H    1 
ATOM   3633 H HA   . SER   A 1 205 ? -23.955 -2.876  -36.294 1.00 7.15  ? 205 SER   A HA   1 
ATOM   3634 H HB2  . SER   A 1 205 ? -22.136 -4.242  -36.469 1.00 8.91  ? 205 SER   A HB2  1 
ATOM   3635 H HB3  . SER   A 1 205 ? -22.645 -3.910  -37.938 1.00 8.91  ? 205 SER   A HB3  1 
ATOM   3636 H HG   . SER   A 1 205 ? -21.025 -2.526  -38.131 1.00 10.46 ? 205 SER   A HG   1 
ATOM   3637 N N    . SER   A 1 206 ? -22.311 -0.492  -35.364 1.00 5.38  ? 206 SER   A N    1 
ATOM   3638 C CA   . SER   A 1 206 ? -21.686 0.240   -34.275 1.00 5.00  ? 206 SER   A CA   1 
ATOM   3639 C C    . SER   A 1 206 ? -20.360 -0.381  -33.854 1.00 4.54  ? 206 SER   A C    1 
ATOM   3640 O O    . SER   A 1 206 ? -20.082 -0.500  -32.668 1.00 5.87  ? 206 SER   A O    1 
ATOM   3641 C CB   . SER   A 1 206 ? -22.629 0.352   -33.072 1.00 6.43  ? 206 SER   A CB   1 
ATOM   3642 O OG   . SER   A 1 206 ? -23.785 1.075   -33.411 1.00 8.41  ? 206 SER   A OG   1 
ATOM   3643 H H    . SER   A 1 206 ? -22.567 0.019   -36.007 1.00 6.45  ? 206 SER   A H    1 
ATOM   3644 H HA   . SER   A 1 206 ? -21.496 1.132   -34.604 1.00 5.99  ? 206 SER   A HA   1 
ATOM   3645 H HB2  . SER   A 1 206 ? -22.885 -0.539  -32.788 1.00 7.72  ? 206 SER   A HB2  1 
ATOM   3646 H HB3  . SER   A 1 206 ? -22.169 0.810   -32.352 1.00 7.72  ? 206 SER   A HB3  1 
ATOM   3647 H HG   . SER   A 1 206 ? -24.289 0.603   -33.889 1.00 10.09 ? 206 SER   A HG   1 
ATOM   3648 N N    . THR   A 1 207 ? -19.512 -0.742  -34.827 1.00 4.81  ? 207 THR   A N    1 
ATOM   3649 C CA   . THR   A 1 207 ? -18.246 -1.417  -34.521 1.00 4.86  ? 207 THR   A CA   1 
ATOM   3650 C C    . THR   A 1 207 ? -17.063 -0.694  -35.118 1.00 4.70  ? 207 THR   A C    1 
ATOM   3651 O O    . THR   A 1 207 ? -17.050 -0.372  -36.304 1.00 6.23  ? 207 THR   A O    1 
ATOM   3652 C CB   . THR   A 1 207 ? -18.280 -2.879  -34.967 1.00 5.70  ? 207 THR   A CB   1 
ATOM   3653 O OG1  . THR   A 1 207 ? -19.396 -3.536  -34.355 1.00 6.14  ? 207 THR   A OG1  1 
ATOM   3654 C CG2  . THR   A 1 207 ? -17.037 -3.626  -34.538 1.00 5.73  ? 207 THR   A CG2  1 
ATOM   3655 H H    . THR   A 1 207 ? -19.649 -0.608  -35.665 1.00 5.77  ? 207 THR   A H    1 
ATOM   3656 H HA   . THR   A 1 207 ? -18.114 -1.386  -33.560 1.00 5.83  ? 207 THR   A HA   1 
ATOM   3657 H HB   . THR   A 1 207 ? -18.342 -2.897  -35.935 1.00 6.84  ? 207 THR   A HB   1 
ATOM   3658 H HG1  . THR   A 1 207 ? -20.114 -3.256  -34.689 1.00 7.37  ? 207 THR   A HG1  1 
ATOM   3659 H HG21 . THR   A 1 207 ? -17.140 -4.574  -34.720 1.00 6.88  ? 207 THR   A HG21 1 
ATOM   3660 H HG22 . THR   A 1 207 ? -16.266 -3.294  -35.023 1.00 6.88  ? 207 THR   A HG22 1 
ATOM   3661 H HG23 . THR   A 1 207 ? -16.888 -3.503  -33.587 1.00 6.88  ? 207 THR   A HG23 1 
ATOM   3662 N N    . ALA   A 1 208 ? -16.090 -0.437  -34.271 1.00 4.03  ? 208 ALA   A N    1 
ATOM   3663 C CA   . ALA   A 1 208 ? -14.787 0.068   -34.664 1.00 4.08  ? 208 ALA   A CA   1 
ATOM   3664 C C    . ALA   A 1 208 ? -13.811 -1.092  -34.749 1.00 3.81  ? 208 ALA   A C    1 
ATOM   3665 O O    . ALA   A 1 208 ? -13.854 -2.009  -33.925 1.00 4.74  ? 208 ALA   A O    1 
ATOM   3666 C CB   . ALA   A 1 208 ? -14.303 1.087   -33.646 1.00 4.93  ? 208 ALA   A CB   1 
ATOM   3667 H H    . ALA   A 1 208 ? -16.160 -0.551  -33.421 1.00 4.83  ? 208 ALA   A H    1 
ATOM   3668 H HA   . ALA   A 1 208 ? -14.831 0.496   -35.534 1.00 4.90  ? 208 ALA   A HA   1 
ATOM   3669 H HB1  . ALA   A 1 208 ? -13.447 1.441   -33.935 1.00 5.91  ? 208 ALA   A HB1  1 
ATOM   3670 H HB2  . ALA   A 1 208 ? -14.953 1.804   -33.583 1.00 5.91  ? 208 ALA   A HB2  1 
ATOM   3671 H HB3  . ALA   A 1 208 ? -14.207 0.652   -32.784 1.00 5.91  ? 208 ALA   A HB3  1 
ATOM   3672 N N    . TYR   A 1 209 ? -12.925 -1.033  -35.730 1.00 3.73  ? 209 TYR   A N    1 
ATOM   3673 C CA   . TYR   A 1 209 ? -11.921 -2.055  -35.928 1.00 3.87  ? 209 TYR   A CA   1 
ATOM   3674 C C    . TYR   A 1 209 ? -10.523 -1.449  -35.968 1.00 3.73  ? 209 TYR   A C    1 
ATOM   3675 O O    . TYR   A 1 209 ? -10.309 -0.343  -36.471 1.00 4.23  ? 209 TYR   A O    1 
ATOM   3676 C CB   . TYR   A 1 209 ? -12.152 -2.784  -37.260 1.00 4.72  ? 209 TYR   A CB   1 
ATOM   3677 C CG   . TYR   A 1 209 ? -13.453 -3.525  -37.319 1.00 5.40  ? 209 TYR   A CG   1 
ATOM   3678 C CD1  . TYR   A 1 209 ? -13.553 -4.805  -36.815 1.00 6.13  ? 209 TYR   A CD1  1 
ATOM   3679 C CD2  . TYR   A 1 209 ? -14.589 -2.952  -37.882 1.00 6.50  ? 209 TYR   A CD2  1 
ATOM   3680 C CE1  . TYR   A 1 209 ? -14.747 -5.519  -36.870 1.00 7.37  ? 209 TYR   A CE1  1 
ATOM   3681 C CE2  . TYR   A 1 209 ? -15.778 -3.653  -37.939 1.00 7.92  ? 209 TYR   A CE2  1 
ATOM   3682 C CZ   . TYR   A 1 209 ? -15.837 -4.945  -37.438 1.00 7.50  ? 209 TYR   A CZ   1 
ATOM   3683 O OH   . TYR   A 1 209 ? -17.016 -5.669  -37.475 1.00 9.73  ? 209 TYR   A OH   1 
ATOM   3684 H H    . TYR   A 1 209 ? -12.887 -0.395  -36.305 1.00 4.48  ? 209 TYR   A H    1 
ATOM   3685 H HA   . TYR   A 1 209 ? -11.964 -2.677  -35.185 1.00 4.65  ? 209 TYR   A HA   1 
ATOM   3686 H HB2  . TYR   A 1 209 ? -12.149 -2.132  -37.978 1.00 5.67  ? 209 TYR   A HB2  1 
ATOM   3687 H HB3  . TYR   A 1 209 ? -11.438 -3.427  -37.392 1.00 5.67  ? 209 TYR   A HB3  1 
ATOM   3688 H HD1  . TYR   A 1 209 ? -12.805 -5.201  -36.430 1.00 7.36  ? 209 TYR   A HD1  1 
ATOM   3689 H HD2  . TYR   A 1 209 ? -14.547 -2.089  -38.224 1.00 7.80  ? 209 TYR   A HD2  1 
ATOM   3690 H HE1  . TYR   A 1 209 ? -14.797 -6.379  -36.521 1.00 8.85  ? 209 TYR   A HE1  1 
ATOM   3691 H HE2  . TYR   A 1 209 ? -16.535 -3.260  -38.311 1.00 9.50  ? 209 TYR   A HE2  1 
ATOM   3692 H HH   . TYR   A 1 209 ? -17.633 -5.196  -37.792 1.00 11.68 ? 209 TYR   A HH   1 
ATOM   3693 N N    . MET   A 1 210 ? -9.564  -2.223  -35.477 1.00 3.98  ? 210 MET   A N    1 
ATOM   3694 C CA   A MET   A 1 210 ? -8.153  -1.861  -35.566 0.65 3.55  ? 210 MET   A CA   1 
ATOM   3695 C CA   B MET   A 1 210 ? -8.153  -1.861  -35.563 0.35 4.08  ? 210 MET   A CA   1 
ATOM   3696 C C    . MET   A 1 210 ? -7.395  -3.072  -36.069 1.00 4.23  ? 210 MET   A C    1 
ATOM   3697 O O    . MET   A 1 210 ? -7.419  -4.126  -35.428 1.00 4.62  ? 210 MET   A O    1 
ATOM   3698 C CB   A MET   A 1 210 ? -7.600  -1.404  -34.215 0.65 4.86  ? 210 MET   A CB   1 
ATOM   3699 C CB   B MET   A 1 210 ? -7.592  -1.421  -34.204 0.35 3.04  ? 210 MET   A CB   1 
ATOM   3700 C CG   A MET   A 1 210 ? -6.118  -1.128  -34.269 0.65 4.51  ? 210 MET   A CG   1 
ATOM   3701 C CG   B MET   A 1 210 ? -6.110  -1.031  -34.261 0.35 4.52  ? 210 MET   A CG   1 
ATOM   3702 S SD   A MET   A 1 210 ? -5.506  -0.254  -32.830 0.65 3.94  ? 210 MET   A SD   1 
ATOM   3703 S SD   B MET   A 1 210 ? -5.387  -0.548  -32.678 0.35 7.48  ? 210 MET   A SD   1 
ATOM   3704 C CE   A MET   A 1 210 ? -5.682  -1.523  -31.580 0.65 4.73  ? 210 MET   A CE   1 
ATOM   3705 C CE   B MET   A 1 210 ? -5.626  -2.038  -31.726 0.35 6.97  ? 210 MET   A CE   1 
ATOM   3706 H H    A MET   A 1 210 ? -9.706  -2.973  -35.082 0.65 4.77  ? 210 MET   A H    1 
ATOM   3707 H H    B MET   A 1 210 ? -9.706  -2.974  -35.083 0.35 4.77  ? 210 MET   A H    1 
ATOM   3708 H HA   A MET   A 1 210 ? -8.049  -1.124  -36.188 0.65 4.26  ? 210 MET   A HA   1 
ATOM   3709 H HA   B MET   A 1 210 ? -8.052  -1.119  -36.178 0.35 4.89  ? 210 MET   A HA   1 
ATOM   3710 H HB2  A MET   A 1 210 ? -8.051  -0.588  -33.947 0.65 5.83  ? 210 MET   A HB2  1 
ATOM   3711 H HB2  B MET   A 1 210 ? -8.092  -0.650  -33.893 0.35 3.65  ? 210 MET   A HB2  1 
ATOM   3712 H HB3  A MET   A 1 210 ? -7.755  -2.100  -33.556 0.65 5.83  ? 210 MET   A HB3  1 
ATOM   3713 H HB3  B MET   A 1 210 ? -7.685  -2.152  -33.574 0.35 3.65  ? 210 MET   A HB3  1 
ATOM   3714 H HG2  A MET   A 1 210 ? -5.644  -1.972  -34.328 0.65 5.41  ? 210 MET   A HG2  1 
ATOM   3715 H HG2  B MET   A 1 210 ? -5.605  -1.790  -34.592 0.35 5.43  ? 210 MET   A HG2  1 
ATOM   3716 H HG3  A MET   A 1 210 ? -5.928  -0.585  -35.050 0.65 5.41  ? 210 MET   A HG3  1 
ATOM   3717 H HG3  B MET   A 1 210 ? -6.013  -0.279  -34.866 0.35 5.43  ? 210 MET   A HG3  1 
ATOM   3718 H HE1  A MET   A 1 210 ? -5.310  -1.198  -30.745 0.65 5.68  ? 210 MET   A HE1  1 
ATOM   3719 H HE1  B MET   A 1 210 ? -5.181  -1.940  -30.869 0.35 8.37  ? 210 MET   A HE1  1 
ATOM   3720 H HE2  A MET   A 1 210 ? -6.624  -1.726  -31.465 0.65 5.68  ? 210 MET   A HE2  1 
ATOM   3721 H HE2  B MET   A 1 210 ? -6.576  -2.178  -31.591 0.35 8.37  ? 210 MET   A HE2  1 
ATOM   3722 H HE3  A MET   A 1 210 ? -5.206  -2.318  -31.867 0.65 5.68  ? 210 MET   A HE3  1 
ATOM   3723 H HE3  B MET   A 1 210 ? -5.247  -2.787  -32.212 0.35 8.37  ? 210 MET   A HE3  1 
ATOM   3724 N N    . GLN   A 1 211 ? -6.720  -2.925  -37.202 1.00 3.80  ? 211 GLN   A N    1 
ATOM   3725 C CA   . GLN   A 1 211 ? -5.818  -3.953  -37.687 1.00 4.11  ? 211 GLN   A CA   1 
ATOM   3726 C C    . GLN   A 1 211 ? -4.419  -3.611  -37.189 1.00 4.29  ? 211 GLN   A C    1 
ATOM   3727 O O    . GLN   A 1 211 ? -3.951  -2.484  -37.365 1.00 5.88  ? 211 GLN   A O    1 
ATOM   3728 C CB   . GLN   A 1 211 ? -5.822  -4.024  -39.208 1.00 4.97  ? 211 GLN   A CB   1 
ATOM   3729 C CG   . GLN   A 1 211 ? -5.286  -5.367  -39.755 1.00 6.24  ? 211 GLN   A CG   1 
ATOM   3730 C CD   . GLN   A 1 211 ? -6.295  -6.500  -39.681 1.00 6.23  ? 211 GLN   A CD   1 
ATOM   3731 O OE1  . GLN   A 1 211 ? -7.475  -6.285  -39.408 1.00 7.09  ? 211 GLN   A OE1  1 
ATOM   3732 N NE2  . GLN   A 1 211 ? -5.851  -7.723  -39.960 1.00 6.92  ? 211 GLN   A NE2  1 
ATOM   3733 H H    . GLN   A 1 211 ? -6.771  -2.232  -37.710 1.00 4.55  ? 211 GLN   A H    1 
ATOM   3734 H HA   . GLN   A 1 211 ? -6.092  -4.823  -37.357 1.00 4.94  ? 211 GLN   A HA   1 
ATOM   3735 H HB2  . GLN   A 1 211 ? -6.732  -3.914  -39.525 1.00 5.97  ? 211 GLN   A HB2  1 
ATOM   3736 H HB3  . GLN   A 1 211 ? -5.261  -3.314  -39.557 1.00 5.97  ? 211 GLN   A HB3  1 
ATOM   3737 H HG2  . GLN   A 1 211 ? -5.040  -5.250  -40.686 1.00 7.49  ? 211 GLN   A HG2  1 
ATOM   3738 H HG3  . GLN   A 1 211 ? -4.509  -5.628  -39.236 1.00 7.49  ? 211 GLN   A HG3  1 
ATOM   3739 H HE21 . GLN   A 1 211 ? -5.026  -7.843  -40.171 1.00 8.30  ? 211 GLN   A HE21 1 
ATOM   3740 H HE22 . GLN   A 1 211 ? -6.389  -8.393  -39.930 1.00 8.30  ? 211 GLN   A HE22 1 
ATOM   3741 N N    . LEU   A 1 212 ? -3.733  -4.578  -36.590 1.00 3.93  ? 212 LEU   A N    1 
ATOM   3742 C CA   . LEU   A 1 212 ? -2.339  -4.422  -36.173 1.00 4.19  ? 212 LEU   A CA   1 
ATOM   3743 C C    . LEU   A 1 212 ? -1.515  -5.290  -37.092 1.00 4.59  ? 212 LEU   A C    1 
ATOM   3744 O O    . LEU   A 1 212 ? -1.789  -6.491  -37.206 1.00 5.74  ? 212 LEU   A O    1 
ATOM   3745 C CB   . LEU   A 1 212 ? -2.124  -4.854  -34.719 1.00 4.98  ? 212 LEU   A CB   1 
ATOM   3746 C CG   . LEU   A 1 212 ? -2.873  -4.007  -33.681 1.00 5.28  ? 212 LEU   A CG   1 
ATOM   3747 C CD1  . LEU   A 1 212 ? -2.840  -4.706  -32.315 1.00 7.43  ? 212 LEU   A CD1  1 
ATOM   3748 C CD2  . LEU   A 1 212 ? -2.311  -2.621  -33.597 1.00 6.62  ? 212 LEU   A CD2  1 
ATOM   3749 H H    . LEU   A 1 212 ? -4.060  -5.352  -36.408 1.00 4.72  ? 212 LEU   A H    1 
ATOM   3750 H HA   . LEU   A 1 212 ? -2.073  -3.492  -36.244 1.00 5.02  ? 212 LEU   A HA   1 
ATOM   3751 H HB2  . LEU   A 1 212 ? -2.427  -5.770  -34.623 1.00 5.98  ? 212 LEU   A HB2  1 
ATOM   3752 H HB3  . LEU   A 1 212 ? -1.178  -4.794  -34.518 1.00 5.98  ? 212 LEU   A HB3  1 
ATOM   3753 H HG   . LEU   A 1 212 ? -3.800  -3.916  -33.954 1.00 6.34  ? 212 LEU   A HG   1 
ATOM   3754 H HD11 . LEU   A 1 212 ? -3.241  -4.122  -31.652 1.00 8.91  ? 212 LEU   A HD11 1 
ATOM   3755 H HD12 . LEU   A 1 212 ? -3.340  -5.535  -32.373 1.00 8.91  ? 212 LEU   A HD12 1 
ATOM   3756 H HD13 . LEU   A 1 212 ? -1.918  -4.891  -32.078 1.00 8.91  ? 212 LEU   A HD13 1 
ATOM   3757 H HD21 . LEU   A 1 212 ? -2.810  -2.117  -32.935 1.00 7.95  ? 212 LEU   A HD21 1 
ATOM   3758 H HD22 . LEU   A 1 212 ? -1.378  -2.674  -33.338 1.00 7.95  ? 212 LEU   A HD22 1 
ATOM   3759 H HD23 . LEU   A 1 212 ? -2.390  -2.195  -34.465 1.00 7.95  ? 212 LEU   A HD23 1 
ATOM   3760 N N    . SER   A 1 213 ? -0.532  -4.695  -37.746 1.00 5.06  ? 213 SER   A N    1 
ATOM   3761 C CA   A SER   A 1 213 ? 0.236   -5.379  -38.770 0.50 6.25  ? 213 SER   A CA   1 
ATOM   3762 C CA   B SER   A 1 213 ? 0.235   -5.367  -38.775 0.50 5.53  ? 213 SER   A CA   1 
ATOM   3763 C C    . SER   A 1 213 ? 1.679   -5.578  -38.352 1.00 4.22  ? 213 SER   A C    1 
ATOM   3764 O O    . SER   A 1 213 ? 2.166   -5.005  -37.383 1.00 5.35  ? 213 SER   A O    1 
ATOM   3765 C CB   A SER   A 1 213 ? 0.172   -4.597  -40.076 0.50 11.76 ? 213 SER   A CB   1 
ATOM   3766 C CB   B SER   A 1 213 ? 0.138   -4.574  -40.076 0.50 10.86 ? 213 SER   A CB   1 
ATOM   3767 O OG   A SER   A 1 213 ? 0.462   -3.241  -39.849 0.50 14.13 ? 213 SER   A OG   1 
ATOM   3768 O OG   B SER   A 1 213 ? -1.215  -4.496  -40.507 0.50 13.54 ? 213 SER   A OG   1 
ATOM   3769 H H    A SER   A 1 213 ? -0.288  -3.881  -37.611 0.50 6.07  ? 213 SER   A H    1 
ATOM   3770 H H    B SER   A 1 213 ? -0.287  -3.882  -37.607 0.50 6.07  ? 213 SER   A H    1 
ATOM   3771 H HA   A SER   A 1 213 ? -0.145  -6.261  -38.901 0.50 7.50  ? 213 SER   A HA   1 
ATOM   3772 H HA   B SER   A 1 213 ? -0.126  -6.255  -38.921 0.50 6.63  ? 213 SER   A HA   1 
ATOM   3773 H HB2  A SER   A 1 213 ? 0.822   -4.962  -40.696 0.50 14.11 ? 213 SER   A HB2  1 
ATOM   3774 H HB2  B SER   A 1 213 ? 0.477   -3.677  -39.927 0.50 13.03 ? 213 SER   A HB2  1 
ATOM   3775 H HB3  A SER   A 1 213 ? -0.721  -4.673  -40.448 0.50 14.11 ? 213 SER   A HB3  1 
ATOM   3776 H HB3  B SER   A 1 213 ? 0.664   -5.018  -40.759 0.50 13.03 ? 213 SER   A HB3  1 
ATOM   3777 H HG   A SER   A 1 213 ? 1.203   -3.167  -39.460 0.50 16.96 ? 213 SER   A HG   1 
ATOM   3778 H HG   B SER   A 1 213 ? -1.255  -4.132  -41.263 0.50 16.25 ? 213 SER   A HG   1 
ATOM   3779 N N    . SER   A 1 214 ? 2.354   -6.427  -39.109 1.00 4.39  ? 214 SER   A N    1 
ATOM   3780 C CA   . SER   A 1 214 ? 3.762   -6.732  -38.876 1.00 5.23  ? 214 SER   A CA   1 
ATOM   3781 C C    . SER   A 1 214 ? 4.026   -7.033  -37.409 1.00 4.70  ? 214 SER   A C    1 
ATOM   3782 O O    . SER   A 1 214 ? 4.871   -6.433  -36.756 1.00 5.01  ? 214 SER   A O    1 
ATOM   3783 C CB   . SER   A 1 214 ? 4.678   -5.639  -39.384 1.00 5.91  ? 214 SER   A CB   1 
ATOM   3784 O OG   . SER   A 1 214 ? 4.591   -5.524  -40.786 1.00 7.01  ? 214 SER   A OG   1 
ATOM   3785 H H    . SER   A 1 214 ? 2.014   -6.849  -39.777 1.00 5.27  ? 214 SER   A H    1 
ATOM   3786 H HA   . SER   A 1 214 ? 3.965   -7.533  -39.384 1.00 6.28  ? 214 SER   A HA   1 
ATOM   3787 H HB2  . SER   A 1 214 ? 4.417   -4.796  -38.982 1.00 7.09  ? 214 SER   A HB2  1 
ATOM   3788 H HB3  . SER   A 1 214 ? 5.591   -5.855  -39.141 1.00 7.09  ? 214 SER   A HB3  1 
ATOM   3789 H HG   . SER   A 1 214 ? 4.968   -4.817  -41.040 1.00 8.41  ? 214 SER   A HG   1 
ATOM   3790 N N    . LEU   A 1 215 ? 3.291   -8.008  -36.902 1.00 4.68  ? 215 LEU   A N    1 
ATOM   3791 C CA   . LEU   A 1 215 ? 3.314   -8.241  -35.478 1.00 4.78  ? 215 LEU   A CA   1 
ATOM   3792 C C    . LEU   A 1 215 ? 4.668   -8.764  -35.015 1.00 4.21  ? 215 LEU   A C    1 
ATOM   3793 O O    . LEU   A 1 215 ? 5.342   -9.529  -35.706 1.00 4.97  ? 215 LEU   A O    1 
ATOM   3794 C CB   . LEU   A 1 215 ? 2.237   -9.237  -35.106 1.00 4.65  ? 215 LEU   A CB   1 
ATOM   3795 C CG   . LEU   A 1 215 ? 0.795   -8.712  -35.281 1.00 6.33  ? 215 LEU   A CG   1 
ATOM   3796 C CD1  . LEU   A 1 215 ? -0.188  -9.847  -35.121 1.00 7.34  ? 215 LEU   A CD1  1 
ATOM   3797 C CD2  . LEU   A 1 215 ? 0.518   -7.583  -34.295 1.00 6.95  ? 215 LEU   A CD2  1 
ATOM   3798 H H    . LEU   A 1 215 ? 2.782   -8.535  -37.354 1.00 5.61  ? 215 LEU   A H    1 
ATOM   3799 H HA   . LEU   A 1 215 ? 3.150   -7.403  -35.018 1.00 5.74  ? 215 LEU   A HA   1 
ATOM   3800 H HB2  . LEU   A 1 215 ? 2.335   -10.022 -35.667 1.00 5.58  ? 215 LEU   A HB2  1 
ATOM   3801 H HB3  . LEU   A 1 215 ? 2.350   -9.480  -34.173 1.00 5.58  ? 215 LEU   A HB3  1 
ATOM   3802 H HG   . LEU   A 1 215 ? 0.681   -8.348  -36.173 1.00 7.60  ? 215 LEU   A HG   1 
ATOM   3803 H HD11 . LEU   A 1 215 ? -1.076  -9.530  -35.348 1.00 8.81  ? 215 LEU   A HD11 1 
ATOM   3804 H HD12 . LEU   A 1 215 ? 0.066   -10.571 -35.715 1.00 8.81  ? 215 LEU   A HD12 1 
ATOM   3805 H HD13 . LEU   A 1 215 ? -0.170  -10.153 -34.201 1.00 8.81  ? 215 LEU   A HD13 1 
ATOM   3806 H HD21 . LEU   A 1 215 ? -0.402  -7.294  -34.397 1.00 8.34  ? 215 LEU   A HD21 1 
ATOM   3807 H HD22 . LEU   A 1 215 ? 0.665   -7.909  -33.393 1.00 8.34  ? 215 LEU   A HD22 1 
ATOM   3808 H HD23 . LEU   A 1 215 ? 1.119   -6.846  -34.483 1.00 8.34  ? 215 LEU   A HD23 1 
ATOM   3809 N N    . THR   A 1 216 ? 5.033   -8.358  -33.808 1.00 4.21  ? 216 THR   A N    1 
ATOM   3810 C CA   . THR   A 1 216 ? 6.196   -8.876  -33.115 1.00 5.10  ? 216 THR   A CA   1 
ATOM   3811 C C    . THR   A 1 216 ? 5.809   -9.134  -31.660 1.00 5.05  ? 216 THR   A C    1 
ATOM   3812 O O    . THR   A 1 216 ? 4.778   -8.689  -31.178 1.00 4.69  ? 216 THR   A O    1 
ATOM   3813 C CB   . THR   A 1 216 ? 7.387   -7.917  -33.148 1.00 7.60  ? 216 THR   A CB   1 
ATOM   3814 O OG1  . THR   A 1 216 ? 7.125   -6.826  -32.258 1.00 9.05  ? 216 THR   A OG1  1 
ATOM   3815 C CG2  . THR   A 1 216 ? 7.712   -7.437  -34.550 1.00 7.63  ? 216 THR   A CG2  1 
ATOM   3816 H H    . THR   A 1 216 ? 4.607   -7.763  -33.356 1.00 5.05  ? 216 THR   A H    1 
ATOM   3817 H HA   . THR   A 1 216 ? 6.462   -9.703  -33.548 1.00 6.12  ? 216 THR   A HA   1 
ATOM   3818 H HB   . THR   A 1 216 ? 8.186   -8.382  -32.853 1.00 9.11  ? 216 THR   A HB   1 
ATOM   3819 H HG1  . THR   A 1 216 ? 7.644   -6.187  -32.427 1.00 10.86 ? 216 THR   A HG1  1 
ATOM   3820 H HG21 . THR   A 1 216 ? 8.468   -6.829  -34.526 1.00 9.15  ? 216 THR   A HG21 1 
ATOM   3821 H HG22 . THR   A 1 216 ? 7.935   -8.192  -35.117 1.00 9.15  ? 216 THR   A HG22 1 
ATOM   3822 H HG23 . THR   A 1 216 ? 6.948   -6.974  -34.928 1.00 9.15  ? 216 THR   A HG23 1 
ATOM   3823 N N    . SER   A 1 217 ? 6.717   -9.755  -30.917 1.00 5.70  ? 217 SER   A N    1 
ATOM   3824 C CA   A SER   A 1 217 ? 6.433   -9.970  -29.506 0.72 7.92  ? 217 SER   A CA   1 
ATOM   3825 C CA   B SER   A 1 217 ? 6.533   -9.962  -29.480 0.28 4.54  ? 217 SER   A CA   1 
ATOM   3826 C C    . SER   A 1 217 ? 6.288   -8.656  -28.742 1.00 5.46  ? 217 SER   A C    1 
ATOM   3827 O O    . SER   A 1 217 ? 5.596   -8.633  -27.711 1.00 6.10  ? 217 SER   A O    1 
ATOM   3828 C CB   A SER   A 1 217 ? 7.478   -10.862 -28.864 0.72 11.65 ? 217 SER   A CB   1 
ATOM   3829 C CB   B SER   A 1 217 ? 7.766   -10.630 -28.876 0.28 6.71  ? 217 SER   A CB   1 
ATOM   3830 O OG   A SER   A 1 217 ? 8.737   -10.262 -28.981 0.72 12.19 ? 217 SER   A OG   1 
ATOM   3831 O OG   B SER   A 1 217 ? 8.053   -11.844 -29.527 0.28 10.67 ? 217 SER   A OG   1 
ATOM   3832 H H    A SER   A 1 217 ? 7.476   -10.049 -31.195 0.72 6.83  ? 217 SER   A H    1 
ATOM   3833 H H    B SER   A 1 217 ? 7.458   -10.070 -31.219 0.28 6.83  ? 217 SER   A H    1 
ATOM   3834 H HA   A SER   A 1 217 ? 5.590   -10.444 -29.435 0.72 9.50  ? 217 SER   A HA   1 
ATOM   3835 H HA   B SER   A 1 217 ? 5.764   -10.542 -29.366 0.28 5.45  ? 217 SER   A HA   1 
ATOM   3836 H HB2  A SER   A 1 217 ? 7.265   -10.981 -27.925 0.72 13.98 ? 217 SER   A HB2  1 
ATOM   3837 H HB2  B SER   A 1 217 ? 8.525   -10.034 -28.972 0.28 8.06  ? 217 SER   A HB2  1 
ATOM   3838 H HB3  A SER   A 1 217 ? 7.487   -11.721 -29.314 0.72 13.98 ? 217 SER   A HB3  1 
ATOM   3839 H HB3  B SER   A 1 217 ? 7.599   -10.808 -27.937 0.28 8.06  ? 217 SER   A HB3  1 
ATOM   3840 H HG   A SER   A 1 217 ? 8.754   -9.542  -28.550 0.72 14.63 ? 217 SER   A HG   1 
ATOM   3841 H HG   B SER   A 1 217 ? 8.239   -11.701 -30.334 0.28 12.80 ? 217 SER   A HG   1 
ATOM   3842 N N    . ASP   A 1 218 ? 6.843   -7.551  -29.241 1.00 5.43  ? 218 ASP   A N    1 
ATOM   3843 C CA   . ASP   A 1 218 ? 6.627   -6.260  -28.590 1.00 6.11  ? 218 ASP   A CA   1 
ATOM   3844 C C    . ASP   A 1 218 ? 5.172   -5.826  -28.649 1.00 5.01  ? 218 ASP   A C    1 
ATOM   3845 O O    . ASP   A 1 218 ? 4.758   -4.986  -27.844 1.00 6.52  ? 218 ASP   A O    1 
ATOM   3846 C CB   . ASP   A 1 218 ? 7.526   -5.224  -29.271 1.00 7.85  ? 218 ASP   A CB   1 
ATOM   3847 C CG   . ASP   A 1 218 ? 7.439   -3.853  -28.651 1.00 8.48  ? 218 ASP   A CG   1 
ATOM   3848 O OD1  . ASP   A 1 218 ? 7.704   -3.792  -27.435 1.00 11.54 ? 218 ASP   A OD1  1 
ATOM   3849 O OD2  . ASP   A 1 218 ? 7.214   -2.847  -29.370 1.00 9.83  ? 218 ASP   A OD2  1 
ATOM   3850 H H    . ASP   A 1 218 ? 7.340   -7.523  -29.942 1.00 6.52  ? 218 ASP   A H    1 
ATOM   3851 H HA   . ASP   A 1 218 ? 6.867   -6.313  -27.652 1.00 7.33  ? 218 ASP   A HA   1 
ATOM   3852 H HB2  . ASP   A 1 218 ? 8.448   -5.520  -29.208 1.00 9.42  ? 218 ASP   A HB2  1 
ATOM   3853 H HB3  . ASP   A 1 218 ? 7.265   -5.147  -30.202 1.00 9.42  ? 218 ASP   A HB3  1 
ATOM   3854 N N    . ASP   A 1 219 ? 4.401   -6.369  -29.594 1.00 4.98  ? 219 ASP   A N    1 
ATOM   3855 C CA   . ASP   A 1 219 ? 2.992   -6.015  -29.724 1.00 4.74  ? 219 ASP   A CA   1 
ATOM   3856 C C    . ASP   A 1 219 ? 2.091   -6.808  -28.780 1.00 4.64  ? 219 ASP   A C    1 
ATOM   3857 O O    . ASP   A 1 219 ? 0.897   -6.526  -28.706 1.00 5.46  ? 219 ASP   A O    1 
ATOM   3858 C CB   . ASP   A 1 219 ? 2.549   -6.223  -31.164 1.00 4.76  ? 219 ASP   A CB   1 
ATOM   3859 C CG   . ASP   A 1 219 ? 3.287   -5.327  -32.143 1.00 4.77  ? 219 ASP   A CG   1 
ATOM   3860 O OD1  . ASP   A 1 219 ? 3.478   -4.125  -31.839 1.00 6.13  ? 219 ASP   A OD1  1 
ATOM   3861 O OD2  . ASP   A 1 219 ? 3.739   -5.862  -33.190 1.00 6.14  ? 219 ASP   A OD2  1 
ATOM   3862 H H    . ASP   A 1 219 ? 4.674   -6.944  -30.172 1.00 5.97  ? 219 ASP   A H    1 
ATOM   3863 H HA   . ASP   A 1 219 ? 2.877   -5.076  -29.508 1.00 5.69  ? 219 ASP   A HA   1 
ATOM   3864 H HB2  . ASP   A 1 219 ? 2.716   -7.144  -31.416 1.00 5.71  ? 219 ASP   A HB2  1 
ATOM   3865 H HB3  . ASP   A 1 219 ? 1.601   -6.026  -31.234 1.00 5.71  ? 219 ASP   A HB3  1 
ATOM   3866 N N    . SER   A 1 220 ? 2.627   -7.796  -28.061 1.00 4.36  ? 220 SER   A N    1 
ATOM   3867 C CA   . SER   A 1 220 ? 1.842   -8.470  -27.034 1.00 4.09  ? 220 SER   A CA   1 
ATOM   3868 C C    . SER   A 1 220 ? 1.513   -7.474  -25.935 1.00 4.46  ? 220 SER   A C    1 
ATOM   3869 O O    . SER   A 1 220 ? 2.408   -6.921  -25.295 1.00 5.83  ? 220 SER   A O    1 
ATOM   3870 C CB   . SER   A 1 220 ? 2.615   -9.634  -26.455 1.00 5.36  ? 220 SER   A CB   1 
ATOM   3871 O OG   . SER   A 1 220 ? 2.896   -10.588 -27.461 1.00 5.77  ? 220 SER   A OG   1 
ATOM   3872 H H    . SER   A 1 220 ? 3.431   -8.089  -28.150 1.00 5.23  ? 220 SER   A H    1 
ATOM   3873 H HA   . SER   A 1 220 ? 1.025   -8.818  -27.424 1.00 4.91  ? 220 SER   A HA   1 
ATOM   3874 H HB2  . SER   A 1 220 ? 3.450   -9.308  -26.084 1.00 6.43  ? 220 SER   A HB2  1 
ATOM   3875 H HB3  . SER   A 1 220 ? 2.084   -10.053 -25.760 1.00 6.43  ? 220 SER   A HB3  1 
ATOM   3876 H HG   . SER   A 1 220 ? 3.392   -11.191 -27.154 1.00 6.92  ? 220 SER   A HG   1 
ATOM   3877 N N    . ALA   A 1 221 ? 0.231   -7.213  -25.736 1.00 3.95  ? 221 ALA   A N    1 
ATOM   3878 C CA   . ALA   A 1 221 ? -0.219  -6.108  -24.905 1.00 3.70  ? 221 ALA   A CA   1 
ATOM   3879 C C    . ALA   A 1 221 ? -1.729  -6.213  -24.785 1.00 3.78  ? 221 ALA   A C    1 
ATOM   3880 O O    . ALA   A 1 221 ? -2.361  -7.017  -25.465 1.00 4.90  ? 221 ALA   A O    1 
ATOM   3881 C CB   . ALA   A 1 221 ? 0.170   -4.774  -25.527 1.00 4.33  ? 221 ALA   A CB   1 
ATOM   3882 H H    . ALA   A 1 221 ? -0.411  -7.670  -26.079 1.00 4.74  ? 221 ALA   A H    1 
ATOM   3883 H HA   . ALA   A 1 221 ? 0.173   -6.175  -24.020 1.00 4.43  ? 221 ALA   A HA   1 
ATOM   3884 H HB1  . ALA   A 1 221 ? -0.168  -4.055  -24.970 1.00 5.19  ? 221 ALA   A HB1  1 
ATOM   3885 H HB2  . ALA   A 1 221 ? 1.137   -4.722  -25.582 1.00 5.19  ? 221 ALA   A HB2  1 
ATOM   3886 H HB3  . ALA   A 1 221 ? -0.216  -4.714  -26.414 1.00 5.19  ? 221 ALA   A HB3  1 
ATOM   3887 N N    . VAL   A 1 222 ? -2.306  -5.362  -23.947 1.00 3.75  ? 222 VAL   A N    1 
ATOM   3888 C CA   . VAL   A 1 222 ? -3.752  -5.173  -23.916 1.00 3.66  ? 222 VAL   A CA   1 
ATOM   3889 C C    . VAL   A 1 222 ? -4.069  -3.955  -24.762 1.00 3.72  ? 222 VAL   A C    1 
ATOM   3890 O O    . VAL   A 1 222 ? -3.405  -2.925  -24.656 1.00 4.35  ? 222 VAL   A O    1 
ATOM   3891 C CB   . VAL   A 1 222 ? -4.275  -5.035  -22.480 1.00 4.48  ? 222 VAL   A CB   1 
ATOM   3892 C CG1  . VAL   A 1 222 ? -5.796  -4.848  -22.496 1.00 5.93  ? 222 VAL   A CG1  1 
ATOM   3893 C CG2  . VAL   A 1 222 ? -3.893  -6.260  -21.662 1.00 5.97  ? 222 VAL   A CG2  1 
ATOM   3894 H H    . VAL   A 1 222 ? -1.877  -4.878  -23.381 1.00 4.49  ? 222 VAL   A H    1 
ATOM   3895 H HA   . VAL   A 1 222 ? -4.199  -5.942  -24.305 1.00 4.40  ? 222 VAL   A HA   1 
ATOM   3896 H HB   . VAL   A 1 222 ? -3.875  -4.257  -22.061 1.00 5.37  ? 222 VAL   A HB   1 
ATOM   3897 H HG11 . VAL   A 1 222 ? -6.108  -4.722  -21.586 1.00 7.12  ? 222 VAL   A HG11 1 
ATOM   3898 H HG12 . VAL   A 1 222 ? -6.012  -4.067  -23.030 1.00 7.12  ? 222 VAL   A HG12 1 
ATOM   3899 H HG13 . VAL   A 1 222 ? -6.207  -5.637  -22.881 1.00 7.12  ? 222 VAL   A HG13 1 
ATOM   3900 H HG21 . VAL   A 1 222 ? -4.221  -6.150  -20.756 1.00 7.16  ? 222 VAL   A HG21 1 
ATOM   3901 H HG22 . VAL   A 1 222 ? -4.293  -7.046  -22.066 1.00 7.16  ? 222 VAL   A HG22 1 
ATOM   3902 H HG23 . VAL   A 1 222 ? -2.927  -6.347  -21.656 1.00 7.16  ? 222 VAL   A HG23 1 
ATOM   3903 N N    . TYR   A 1 223 ? -5.085  -4.072  -25.604 1.00 3.35  ? 223 TYR   A N    1 
ATOM   3904 C CA   . TYR   A 1 223 ? -5.520  -2.997  -26.484 1.00 2.94  ? 223 TYR   A CA   1 
ATOM   3905 C C    . TYR   A 1 223 ? -6.946  -2.623  -26.110 1.00 3.15  ? 223 TYR   A C    1 
ATOM   3906 O O    . TYR   A 1 223 ? -7.819  -3.494  -26.066 1.00 4.35  ? 223 TYR   A O    1 
ATOM   3907 C CB   . TYR   A 1 223 ? -5.461  -3.465  -27.950 1.00 3.63  ? 223 TYR   A CB   1 
ATOM   3908 C CG   . TYR   A 1 223 ? -4.041  -3.679  -28.396 1.00 3.40  ? 223 TYR   A CG   1 
ATOM   3909 C CD1  . TYR   A 1 223 ? -3.410  -4.878  -28.194 1.00 3.87  ? 223 TYR   A CD1  1 
ATOM   3910 C CD2  . TYR   A 1 223 ? -3.306  -2.646  -28.958 1.00 3.69  ? 223 TYR   A CD2  1 
ATOM   3911 C CE1  . TYR   A 1 223 ? -2.069  -5.059  -28.538 1.00 4.02  ? 223 TYR   A CE1  1 
ATOM   3912 C CE2  . TYR   A 1 223 ? -1.976  -2.812  -29.323 1.00 3.93  ? 223 TYR   A CE2  1 
ATOM   3913 C CZ   . TYR   A 1 223 ? -1.376  -4.024  -29.114 1.00 3.51  ? 223 TYR   A CZ   1 
ATOM   3914 O OH   . TYR   A 1 223 ? -0.063  -4.154  -29.471 1.00 4.85  ? 223 TYR   A OH   1 
ATOM   3915 H H    . TYR   A 1 223 ? -5.554  -4.788  -25.687 1.00 4.02  ? 223 TYR   A H    1 
ATOM   3916 H HA   . TYR   A 1 223 ? -4.956  -2.215  -26.380 1.00 3.53  ? 223 TYR   A HA   1 
ATOM   3917 H HB2  . TYR   A 1 223 ? -5.941  -4.304  -28.040 1.00 4.36  ? 223 TYR   A HB2  1 
ATOM   3918 H HB3  . TYR   A 1 223 ? -5.863  -2.791  -28.520 1.00 4.36  ? 223 TYR   A HB3  1 
ATOM   3919 H HD1  . TYR   A 1 223 ? -3.885  -5.585  -27.821 1.00 4.64  ? 223 TYR   A HD1  1 
ATOM   3920 H HD2  . TYR   A 1 223 ? -3.714  -1.822  -29.093 1.00 4.42  ? 223 TYR   A HD2  1 
ATOM   3921 H HE1  . TYR   A 1 223 ? -1.649  -5.874  -28.378 1.00 4.82  ? 223 TYR   A HE1  1 
ATOM   3922 H HE2  . TYR   A 1 223 ? -1.500  -2.109  -29.704 1.00 4.72  ? 223 TYR   A HE2  1 
ATOM   3923 H HH   . TYR   A 1 223 ? 0.235   -4.893  -29.205 1.00 5.81  ? 223 TYR   A HH   1 
ATOM   3924 N N    . PHE   A 1 224 ? -7.159  -1.346  -25.867 1.00 3.01  ? 224 PHE   A N    1 
ATOM   3925 C CA   . PHE   A 1 224 ? -8.436  -0.816  -25.436 1.00 2.95  ? 224 PHE   A CA   1 
ATOM   3926 C C    . PHE   A 1 224 ? -9.019  0.102   -26.495 1.00 3.22  ? 224 PHE   A C    1 
ATOM   3927 O O    . PHE   A 1 224 ? -8.285  0.826   -27.163 1.00 3.77  ? 224 PHE   A O    1 
ATOM   3928 C CB   . PHE   A 1 224 ? -8.285  0.048   -24.178 1.00 3.71  ? 224 PHE   A CB   1 
ATOM   3929 C CG   . PHE   A 1 224 ? -7.559  -0.617  -23.046 1.00 4.01  ? 224 PHE   A CG   1 
ATOM   3930 C CD1  . PHE   A 1 224 ? -6.183  -0.510  -22.964 1.00 5.58  ? 224 PHE   A CD1  1 
ATOM   3931 C CD2  . PHE   A 1 224 ? -8.219  -1.323  -22.063 1.00 4.80  ? 224 PHE   A CD2  1 
ATOM   3932 C CE1  . PHE   A 1 224 ? -5.472  -1.092  -21.956 1.00 6.88  ? 224 PHE   A CE1  1 
ATOM   3933 C CE2  . PHE   A 1 224 ? -7.490  -1.908  -21.031 1.00 6.83  ? 224 PHE   A CE2  1 
ATOM   3934 C CZ   . PHE   A 1 224 ? -6.108  -1.783  -20.993 1.00 7.37  ? 224 PHE   A CZ   1 
ATOM   3935 H H    . PHE   A 1 224 ? -6.554  -0.741  -25.949 1.00 3.62  ? 224 PHE   A H    1 
ATOM   3936 H HA   . PHE   A 1 224 ? -9.025  -1.569  -25.272 1.00 3.54  ? 224 PHE   A HA   1 
ATOM   3937 H HB2  . PHE   A 1 224 ? -7.790  0.849   -24.411 1.00 4.45  ? 224 PHE   A HB2  1 
ATOM   3938 H HB3  . PHE   A 1 224 ? -9.169  0.285   -23.859 1.00 4.45  ? 224 PHE   A HB3  1 
ATOM   3939 H HD1  . PHE   A 1 224 ? -5.728  -0.026  -23.616 1.00 6.70  ? 224 PHE   A HD1  1 
ATOM   3940 H HD2  . PHE   A 1 224 ? -9.145  -1.408  -22.089 1.00 5.76  ? 224 PHE   A HD2  1 
ATOM   3941 H HE1  . PHE   A 1 224 ? -4.546  -1.011  -21.934 1.00 8.26  ? 224 PHE   A HE1  1 
ATOM   3942 H HE2  . PHE   A 1 224 ? -7.930  -2.384  -20.365 1.00 8.19  ? 224 PHE   A HE2  1 
ATOM   3943 H HZ   . PHE   A 1 224 ? -5.623  -2.175  -20.304 1.00 8.84  ? 224 PHE   A HZ   1 
ATOM   3944 N N    . CYS   A 1 225 ? -10.340 0.136   -26.571 1.00 3.47  ? 225 CYS   A N    1 
ATOM   3945 C CA   . CYS   A 1 225 ? -11.053 1.247   -27.184 1.00 3.56  ? 225 CYS   A CA   1 
ATOM   3946 C C    . CYS   A 1 225 ? -11.648 2.109   -26.084 1.00 3.12  ? 225 CYS   A C    1 
ATOM   3947 O O    . CYS   A 1 225 ? -11.941 1.620   -24.984 1.00 4.22  ? 225 CYS   A O    1 
ATOM   3948 C CB   . CYS   A 1 225 ? -12.100 0.746   -28.159 1.00 4.87  ? 225 CYS   A CB   1 
ATOM   3949 S SG   . CYS   A 1 225 ? -13.248 -0.403  -27.388 1.00 5.39  ? 225 CYS   A SG   1 
ATOM   3950 H H    . CYS   A 1 225 ? -10.856 -0.483  -26.270 1.00 4.17  ? 225 CYS   A H    1 
ATOM   3951 H HA   . CYS   A 1 225 ? -10.455 1.806   -27.705 1.00 4.27  ? 225 CYS   A HA   1 
ATOM   3952 H HB2  . CYS   A 1 225 ? -12.607 1.501   -28.497 1.00 5.84  ? 225 CYS   A HB2  1 
ATOM   3953 H HB3  . CYS   A 1 225 ? -11.660 0.288   -28.892 1.00 5.84  ? 225 CYS   A HB3  1 
ATOM   3954 N N    . ALA   A 1 226 ? -11.850 3.383   -26.388 1.00 3.30  ? 226 ALA   A N    1 
ATOM   3955 C CA   . ALA   A 1 226 ? -12.432 4.310   -25.426 1.00 3.73  ? 226 ALA   A CA   1 
ATOM   3956 C C    . ALA   A 1 226 ? -13.090 5.441   -26.201 1.00 4.01  ? 226 ALA   A C    1 
ATOM   3957 O O    . ALA   A 1 226 ? -12.626 5.809   -27.275 1.00 4.97  ? 226 ALA   A O    1 
ATOM   3958 C CB   . ALA   A 1 226 ? -11.383 4.864   -24.466 1.00 5.15  ? 226 ALA   A CB   1 
ATOM   3959 H H    . ALA   A 1 226 ? -11.659 3.737   -27.148 1.00 3.96  ? 226 ALA   A H    1 
ATOM   3960 H HA   . ALA   A 1 226 ? -13.106 3.855   -24.898 1.00 4.47  ? 226 ALA   A HA   1 
ATOM   3961 H HB1  . ALA   A 1 226 ? -11.816 5.458   -23.834 1.00 6.18  ? 226 ALA   A HB1  1 
ATOM   3962 H HB2  . ALA   A 1 226 ? -10.966 4.126   -23.994 1.00 6.18  ? 226 ALA   A HB2  1 
ATOM   3963 H HB3  . ALA   A 1 226 ? -10.715 5.350   -24.974 1.00 6.18  ? 226 ALA   A HB3  1 
ATOM   3964 N N    . ARG   A 1 227 ? -14.135 6.025   -25.641 1.00 3.78  ? 227 ARG   A N    1 
ATOM   3965 C CA   A ARG   A 1 227 ? -14.867 7.067   -26.353 0.65 4.25  ? 227 ARG   A CA   1 
ATOM   3966 C CA   B ARG   A 1 227 ? -14.874 7.060   -26.333 0.35 4.39  ? 227 ARG   A CA   1 
ATOM   3967 C C    . ARG   A 1 227 ? -14.182 8.416   -26.230 1.00 4.00  ? 227 ARG   A C    1 
ATOM   3968 O O    . ARG   A 1 227 ? -13.504 8.709   -25.250 1.00 5.42  ? 227 ARG   A O    1 
ATOM   3969 C CB   A ARG   A 1 227 ? -16.259 7.296   -25.785 0.65 6.45  ? 227 ARG   A CB   1 
ATOM   3970 C CB   B ARG   A 1 227 ? -16.231 7.161   -25.673 0.35 6.70  ? 227 ARG   A CB   1 
ATOM   3971 C CG   A ARG   A 1 227 ? -17.169 6.137   -25.744 0.65 3.93  ? 227 ARG   A CG   1 
ATOM   3972 C CG   B ARG   A 1 227 ? -17.304 7.556   -26.581 0.35 5.52  ? 227 ARG   A CG   1 
ATOM   3973 C CD   A ARG   A 1 227 ? -18.616 6.559   -25.596 0.65 4.21  ? 227 ARG   A CD   1 
ATOM   3974 C CD   B ARG   A 1 227 ? -18.649 7.263   -25.968 0.35 5.36  ? 227 ARG   A CD   1 
ATOM   3975 N NE   A ARG   A 1 227 ? -18.858 7.447   -24.467 0.65 4.09  ? 227 ARG   A NE   1 
ATOM   3976 N NE   B ARG   A 1 227 ? -18.887 8.051   -24.766 0.35 6.85  ? 227 ARG   A NE   1 
ATOM   3977 C CZ   A ARG   A 1 227 ? -20.057 7.920   -24.161 0.65 4.64  ? 227 ARG   A CZ   1 
ATOM   3978 C CZ   B ARG   A 1 227 ? -20.088 8.276   -24.252 0.35 6.08  ? 227 ARG   A CZ   1 
ATOM   3979 N NH1  A ARG   A 1 227 ? -21.129 7.544   -24.835 0.65 5.18  ? 227 ARG   A NH1  1 
ATOM   3980 N NH1  B ARG   A 1 227 ? -21.181 7.770   -24.800 0.35 7.56  ? 227 ARG   A NH1  1 
ATOM   3981 N NH2  A ARG   A 1 227 ? -20.178 8.802   -23.180 0.65 5.83  ? 227 ARG   A NH2  1 
ATOM   3982 N NH2  B ARG   A 1 227 ? -20.196 9.025   -23.164 0.35 7.24  ? 227 ARG   A NH2  1 
ATOM   3983 H H    A ARG   A 1 227 ? -14.440 5.841   -24.858 0.65 4.54  ? 227 ARG   A H    1 
ATOM   3984 H H    B ARG   A 1 227 ? -14.437 5.838   -24.858 0.35 4.54  ? 227 ARG   A H    1 
ATOM   3985 H HA   A ARG   A 1 227 ? -14.916 6.768   -27.274 0.65 5.09  ? 227 ARG   A HA   1 
ATOM   3986 H HA   B ARG   A 1 227 ? -14.950 6.847   -27.276 0.35 5.27  ? 227 ARG   A HA   1 
ATOM   3987 H HB2  A ARG   A 1 227 ? -16.161 7.609   -24.872 0.65 7.74  ? 227 ARG   A HB2  1 
ATOM   3988 H HB2  B ARG   A 1 227 ? -16.462 6.294   -25.303 0.35 8.04  ? 227 ARG   A HB2  1 
ATOM   3989 H HB3  A ARG   A 1 227 ? -16.693 7.975   -26.324 0.65 7.74  ? 227 ARG   A HB3  1 
ATOM   3990 H HB3  B ARG   A 1 227 ? -16.185 7.822   -24.965 0.35 8.04  ? 227 ARG   A HB3  1 
ATOM   3991 H HG2  A ARG   A 1 227 ? -17.083 5.633   -26.568 0.65 4.71  ? 227 ARG   A HG2  1 
ATOM   3992 H HG2  B ARG   A 1 227 ? -17.246 8.508   -26.758 0.35 6.63  ? 227 ARG   A HG2  1 
ATOM   3993 H HG3  A ARG   A 1 227 ? -16.938 5.576   -24.987 0.65 4.71  ? 227 ARG   A HG3  1 
ATOM   3994 H HG3  B ARG   A 1 227 ? -17.228 7.060   -27.411 0.35 6.63  ? 227 ARG   A HG3  1 
ATOM   3995 H HD2  A ARG   A 1 227 ? -18.888 7.026   -26.402 0.65 5.05  ? 227 ARG   A HD2  1 
ATOM   3996 H HD2  B ARG   A 1 227 ? -19.344 7.473   -26.611 0.35 6.43  ? 227 ARG   A HD2  1 
ATOM   3997 H HD3  A ARG   A 1 227 ? -19.161 5.767   -25.471 0.65 5.05  ? 227 ARG   A HD3  1 
ATOM   3998 H HD3  B ARG   A 1 227 ? -18.691 6.325   -25.728 0.35 6.43  ? 227 ARG   A HD3  1 
ATOM   3999 H HE   A ARG   A 1 227 ? -18.190 7.675   -23.975 0.65 4.91  ? 227 ARG   A HE   1 
ATOM   4000 H HE   B ARG   A 1 227 ? -18.207 8.392   -24.365 0.35 8.22  ? 227 ARG   A HE   1 
ATOM   4001 H HH11 A ARG   A 1 227 ? -21.054 6.985   -25.484 0.65 6.21  ? 227 ARG   A HH11 1 
ATOM   4002 H HH11 B ARG   A 1 227 ? -21.122 7.283   -25.506 0.35 9.07  ? 227 ARG   A HH11 1 
ATOM   4003 H HH12 A ARG   A 1 227 ? -21.901 7.859   -24.626 0.65 6.21  ? 227 ARG   A HH12 1 
ATOM   4004 H HH12 B ARG   A 1 227 ? -21.950 7.929   -24.451 0.35 9.07  ? 227 ARG   A HH12 1 
ATOM   4005 H HH21 A ARG   A 1 227 ? -19.482 9.063   -22.748 0.65 7.00  ? 227 ARG   A HH21 1 
ATOM   4006 H HH21 B ARG   A 1 227 ? -19.492 9.359   -22.799 0.35 8.69  ? 227 ARG   A HH21 1 
ATOM   4007 H HH22 A ARG   A 1 227 ? -20.954 9.114   -22.976 0.65 7.00  ? 227 ARG   A HH22 1 
ATOM   4008 H HH22 B ARG   A 1 227 ? -20.971 9.178   -22.822 0.35 8.69  ? 227 ARG   A HH22 1 
ATOM   4009 N N    . GLY   A 1 228 ? -14.404 9.261   -27.223 1.00 4.31  ? 228 GLY   A N    1 
ATOM   4010 C CA   . GLY   A 1 228 ? -14.092 10.669  -27.132 1.00 5.76  ? 228 GLY   A CA   1 
ATOM   4011 C C    . GLY   A 1 228 ? -14.977 11.469  -28.069 1.00 4.87  ? 228 GLY   A C    1 
ATOM   4012 O O    . GLY   A 1 228 ? -15.840 10.928  -28.752 1.00 5.28  ? 228 GLY   A O    1 
ATOM   4013 H H    . GLY   A 1 228 ? -14.745 9.034   -27.980 1.00 5.17  ? 228 GLY   A H    1 
ATOM   4014 H HA2  . GLY   A 1 228 ? -14.234 10.980  -26.225 1.00 6.91  ? 228 GLY   A HA2  1 
ATOM   4015 H HA3  . GLY   A 1 228 ? -13.164 10.817  -27.375 1.00 6.91  ? 228 GLY   A HA3  1 
ATOM   4016 N N    A CYS   A 1 229 ? -14.800 12.787  -28.055 0.61 4.51  ? 229 CYS   A N    1 
ATOM   4017 N N    B CYS   A 1 229 ? -14.738 12.776  -28.093 0.29 5.42  ? 229 CYS   A N    1 
ATOM   4018 N N    C CYS   A 1 229 ? -14.713 12.773  -28.110 0.10 5.17  ? 229 CYS   A N    1 
ATOM   4019 C CA   A CYS   A 1 229 ? -15.387 13.697  -29.047 0.61 4.76  ? 229 CYS   A CA   1 
ATOM   4020 C CA   B CYS   A 1 229 ? -15.383 13.705  -29.016 0.29 7.20  ? 229 CYS   A CA   1 
ATOM   4021 C CA   C CYS   A 1 229 ? -15.499 13.745  -28.860 0.10 5.85  ? 229 CYS   A CA   1 
ATOM   4022 C C    A CYS   A 1 229 ? -14.883 15.091  -28.692 0.61 4.86  ? 229 CYS   A C    1 
ATOM   4023 C C    B CYS   A 1 229 ? -14.806 15.082  -28.711 0.29 6.70  ? 229 CYS   A C    1 
ATOM   4024 C C    C CYS   A 1 229 ? -14.829 15.098  -28.683 0.10 5.81  ? 229 CYS   A C    1 
ATOM   4025 O O    A CYS   A 1 229 ? -14.378 15.317  -27.592 0.61 5.57  ? 229 CYS   A O    1 
ATOM   4026 O O    B CYS   A 1 229 ? -14.165 15.284  -27.678 0.29 7.09  ? 229 CYS   A O    1 
ATOM   4027 O O    C CYS   A 1 229 ? -14.151 15.320  -27.675 0.10 5.53  ? 229 CYS   A O    1 
ATOM   4028 C CB   A CYS   A 1 229 ? -16.926 13.667  -29.141 0.61 6.58  ? 229 CYS   A CB   1 
ATOM   4029 C CB   B CYS   A 1 229 ? -16.915 13.687  -28.904 0.29 10.07 ? 229 CYS   A CB   1 
ATOM   4030 C CB   C CYS   A 1 229 ? -16.920 13.805  -28.304 0.10 7.79  ? 229 CYS   A CB   1 
ATOM   4031 S SG   A CYS   A 1 229 ? -17.816 13.386  -27.638 0.61 7.29  ? 229 CYS   A SG   1 
ATOM   4032 S SG   B CYS   A 1 229 ? -17.604 14.934  -27.843 0.29 11.62 ? 229 CYS   A SG   1 
ATOM   4033 S SG   C CYS   A 1 229 ? -18.130 14.671  -29.283 0.10 9.62  ? 229 CYS   A SG   1 
ATOM   4034 H H    A CYS   A 1 229 ? -14.329 13.197  -27.463 0.61 5.41  ? 229 CYS   A H    1 
ATOM   4035 H H    B CYS   A 1 229 ? -14.184 13.166  -27.563 0.29 6.50  ? 229 CYS   A H    1 
ATOM   4036 H H    C CYS   A 1 229 ? -14.053 13.135  -27.693 0.10 6.21  ? 229 CYS   A H    1 
ATOM   4037 H HA   A CYS   A 1 229 ? -15.082 13.438  -29.931 0.61 5.72  ? 229 CYS   A HA   1 
ATOM   4038 H HA   B CYS   A 1 229 ? -15.177 13.475  -29.936 0.29 8.64  ? 229 CYS   A HA   1 
ATOM   4039 H HA   C CYS   A 1 229 ? -15.554 13.505  -29.798 0.10 7.02  ? 229 CYS   A HA   1 
ATOM   4040 H HB2  A CYS   A 1 229 ? -17.221 14.523  -29.488 0.61 7.89  ? 229 CYS   A HB2  1 
ATOM   4041 H HB2  B CYS   A 1 229 ? -17.289 13.818  -29.789 0.29 12.09 ? 229 CYS   A HB2  1 
ATOM   4042 H HB2  C CYS   A 1 229 ? -17.239 12.896  -28.198 0.10 9.35  ? 229 CYS   A HB2  1 
ATOM   4043 H HB3  A CYS   A 1 229 ? -17.174 12.957  -29.753 0.61 7.89  ? 229 CYS   A HB3  1 
ATOM   4044 H HB3  B CYS   A 1 229 ? -17.186 12.824  -28.553 0.29 12.09 ? 229 CYS   A HB3  1 
ATOM   4045 H HB3  C CYS   A 1 229 ? -16.885 14.247  -27.441 0.10 9.35  ? 229 CYS   A HB3  1 
ATOM   4046 H HG   C CYS   A 1 229 ? -18.592 13.915  -30.093 0.10 11.54 ? 229 CYS   A HG   1 
ATOM   4047 N N    . TYR   A 1 230 ? -14.990 16.014  -29.632 1.00 5.95  ? 230 TYR   A N    1 
ATOM   4048 C CA   . TYR   A 1 230 ? -14.442 17.346  -29.419 1.00 5.57  ? 230 TYR   A CA   1 
ATOM   4049 C C    . TYR   A 1 230 ? -15.123 18.010  -28.232 1.00 6.46  ? 230 TYR   A C    1 
ATOM   4050 O O    . TYR   A 1 230 ? -16.343 18.164  -28.223 1.00 7.00  ? 230 TYR   A O    1 
ATOM   4051 C CB   . TYR   A 1 230 ? -14.596 18.201  -30.660 1.00 6.46  ? 230 TYR   A CB   1 
ATOM   4052 C CG   . TYR   A 1 230 ? -13.871 19.509  -30.527 1.00 7.02  ? 230 TYR   A CG   1 
ATOM   4053 C CD1  . TYR   A 1 230 ? -12.518 19.599  -30.840 1.00 9.40  ? 230 TYR   A CD1  1 
ATOM   4054 C CD2  . TYR   A 1 230 ? -14.488 20.639  -30.044 1.00 9.54  ? 230 TYR   A CD2  1 
ATOM   4055 C CE1  . TYR   A 1 230 ? -11.818 20.778  -30.709 1.00 10.17 ? 230 TYR   A CE1  1 
ATOM   4056 C CE2  . TYR   A 1 230 ? -13.779 21.838  -29.905 1.00 10.70 ? 230 TYR   A CE2  1 
ATOM   4057 C CZ   . TYR   A 1 230 ? -12.446 21.894  -30.258 1.00 11.14 ? 230 TYR   A CZ   1 
ATOM   4058 O OH   . TYR   A 1 230 ? -11.719 23.060  -30.161 1.00 16.44 ? 230 TYR   A OH   1 
ATOM   4059 H H    . TYR   A 1 230 ? -15.371 15.897  -30.394 1.00 7.13  ? 230 TYR   A H    1 
ATOM   4060 H HA   . TYR   A 1 230 ? -13.494 17.264  -29.231 1.00 6.68  ? 230 TYR   A HA   1 
ATOM   4061 H HB2  . TYR   A 1 230 ? -14.231 17.726  -31.423 1.00 7.75  ? 230 TYR   A HB2  1 
ATOM   4062 H HB3  . TYR   A 1 230 ? -15.537 18.387  -30.805 1.00 7.75  ? 230 TYR   A HB3  1 
ATOM   4063 H HD1  . TYR   A 1 230 ? -12.073 18.842  -31.146 1.00 11.28 ? 230 TYR   A HD1  1 
ATOM   4064 H HD2  . TYR   A 1 230 ? -15.386 20.606  -29.807 1.00 11.44 ? 230 TYR   A HD2  1 
ATOM   4065 H HE1  . TYR   A 1 230 ? -10.915 20.810  -30.930 1.00 12.20 ? 230 TYR   A HE1  1 
ATOM   4066 H HE2  . TYR   A 1 230 ? -14.206 22.596  -29.576 1.00 12.84 ? 230 TYR   A HE2  1 
ATOM   4067 H HH   . TYR   A 1 230 ? -12.166 23.644  -29.755 1.00 19.73 ? 230 TYR   A HH   1 
ATOM   4068 N N    . GLY   A 1 231 ? -14.344 18.441  -27.243 1.00 5.52  ? 231 GLY   A N    1 
ATOM   4069 C CA   . GLY   A 1 231 ? -14.903 19.101  -26.088 1.00 7.30  ? 231 GLY   A CA   1 
ATOM   4070 C C    . GLY   A 1 231 ? -15.544 18.176  -25.084 1.00 6.99  ? 231 GLY   A C    1 
ATOM   4071 O O    . GLY   A 1 231 ? -16.080 18.658  -24.075 1.00 10.07 ? 231 GLY   A O    1 
ATOM   4072 H H    . GLY   A 1 231 ? -13.489 18.358  -27.225 1.00 6.62  ? 231 GLY   A H    1 
ATOM   4073 H HA2  . GLY   A 1 231 ? -14.196 19.587  -25.635 1.00 8.76  ? 231 GLY   A HA2  1 
ATOM   4074 H HA3  . GLY   A 1 231 ? -15.578 19.731  -26.386 1.00 8.76  ? 231 GLY   A HA3  1 
ATOM   4075 N N    A CYS   A 1 232 ? -15.486 16.870  -25.311 0.61 6.46  ? 232 CYS   A N    1 
ATOM   4076 N N    B CYS   A 1 232 ? -15.499 16.855  -25.336 0.26 6.41  ? 232 CYS   A N    1 
ATOM   4077 N N    C CYS   A 1 232 ? -15.530 16.874  -25.290 0.13 7.69  ? 232 CYS   A N    1 
ATOM   4078 C CA   A CYS   A 1 232 ? -16.140 15.901  -24.451 0.61 8.31  ? 232 CYS   A CA   1 
ATOM   4079 C CA   B CYS   A 1 232 ? -16.108 15.799  -24.532 0.26 6.69  ? 232 CYS   A CA   1 
ATOM   4080 C CA   C CYS   A 1 232 ? -16.211 16.034  -24.320 0.13 8.50  ? 232 CYS   A CA   1 
ATOM   4081 C C    A CYS   A 1 232 ? -15.210 15.420  -23.341 0.61 5.86  ? 232 CYS   A C    1 
ATOM   4082 C C    B CYS   A 1 232 ? -15.257 15.478  -23.307 0.26 6.43  ? 232 CYS   A C    1 
ATOM   4083 C C    C CYS   A 1 232 ? -15.220 15.363  -23.388 0.13 7.17  ? 232 CYS   A C    1 
ATOM   4084 O O    A CYS   A 1 232 ? -14.040 15.799  -23.262 0.61 6.17  ? 232 CYS   A O    1 
ATOM   4085 O O    B CYS   A 1 232 ? -14.160 16.011  -23.118 0.26 6.43  ? 232 CYS   A O    1 
ATOM   4086 O O    C CYS   A 1 232 ? -14.015 15.599  -23.464 0.13 6.35  ? 232 CYS   A O    1 
ATOM   4087 C CB   A CYS   A 1 232 ? -16.632 14.712  -25.278 0.61 9.22  ? 232 CYS   A CB   1 
ATOM   4088 C CB   B CYS   A 1 232 ? -16.185 14.490  -25.331 0.26 7.63  ? 232 CYS   A CB   1 
ATOM   4089 C CB   C CYS   A 1 232 ? -17.086 15.015  -25.028 0.13 9.20  ? 232 CYS   A CB   1 
ATOM   4090 S SG   A CYS   A 1 232 ? -17.654 15.153  -26.649 0.61 7.63  ? 232 CYS   A SG   1 
ATOM   4091 S SG   B CYS   A 1 232 ? -17.760 14.005  -26.061 0.26 12.66 ? 232 CYS   A SG   1 
ATOM   4092 S SG   C CYS   A 1 232 ? -18.465 15.801  -25.920 0.13 13.70 ? 232 CYS   A SG   1 
ATOM   4093 H H    A CYS   A 1 232 ? -15.064 16.516  -25.971 0.61 7.75  ? 232 CYS   A H    1 
ATOM   4094 H H    B CYS   A 1 232 ? -15.090 16.529  -26.018 0.26 7.69  ? 232 CYS   A H    1 
ATOM   4095 H H    C CYS   A 1 232 ? -15.152 16.471  -25.949 0.13 9.23  ? 232 CYS   A H    1 
ATOM   4096 H HA   A CYS   A 1 232 ? -16.898 16.342  -24.036 0.61 9.97  ? 232 CYS   A HA   1 
ATOM   4097 H HA   B CYS   A 1 232 ? -16.985 16.126  -24.279 0.26 8.02  ? 232 CYS   A HA   1 
ATOM   4098 H HA   C CYS   A 1 232 ? -16.794 16.579  -23.769 0.13 10.19 ? 232 CYS   A HA   1 
ATOM   4099 H HB2  A CYS   A 1 232 ? -15.862 14.237  -25.626 0.61 11.07 ? 232 CYS   A HB2  1 
ATOM   4100 H HB2  B CYS   A 1 232 ? -15.553 14.559  -26.064 0.26 9.16  ? 232 CYS   A HB2  1 
ATOM   4101 H HB2  C CYS   A 1 232 ? -16.549 14.526  -25.671 0.13 11.04 ? 232 CYS   A HB2  1 
ATOM   4102 H HB3  A CYS   A 1 232 ? -17.150 14.128  -24.702 0.61 11.07 ? 232 CYS   A HB3  1 
ATOM   4103 H HB3  B CYS   A 1 232 ? -15.926 13.770  -24.735 0.26 9.16  ? 232 CYS   A HB3  1 
ATOM   4104 H HB3  C CYS   A 1 232 ? -17.458 14.404  -24.373 0.13 11.04 ? 232 CYS   A HB3  1 
ATOM   4105 H HG   C CYS   A 1 232 ? -19.282 14.965  -26.190 0.13 16.44 ? 232 CYS   A HG   1 
ATOM   4106 N N    . ILE   A 1 233 ? -15.742 14.544  -22.492 1.00 6.93  ? 233 ILE   A N    1 
ATOM   4107 C CA   A ILE   A 1 233 ? -14.957 13.831  -21.500 0.45 6.56  ? 233 ILE   A CA   1 
ATOM   4108 C CA   B ILE   A 1 233 ? -14.891 13.893  -21.513 0.55 7.16  ? 233 ILE   A CA   1 
ATOM   4109 C C    . ILE   A 1 233 ? -14.206 12.734  -22.237 1.00 5.21  ? 233 ILE   A C    1 
ATOM   4110 O O    . ILE   A 1 233 ? -14.690 11.603  -22.301 1.00 6.01  ? 233 ILE   A O    1 
ATOM   4111 C CB   A ILE   A 1 233 ? -15.850 13.195  -20.411 0.45 7.13  ? 233 ILE   A CB   1 
ATOM   4112 C CB   B ILE   A 1 233 ? -15.645 13.511  -20.236 0.55 8.49  ? 233 ILE   A CB   1 
ATOM   4113 C CG1  A ILE   A 1 233 ? -16.854 14.191  -19.827 0.45 6.94  ? 233 ILE   A CG1  1 
ATOM   4114 C CG1  B ILE   A 1 233 ? -16.094 14.799  -19.527 0.55 8.71  ? 233 ILE   A CG1  1 
ATOM   4115 C CG2  A ILE   A 1 233 ? -14.958 12.598  -19.324 0.45 7.30  ? 233 ILE   A CG2  1 
ATOM   4116 C CG2  B ILE   A 1 233 ? -14.723 12.675  -19.334 0.55 7.47  ? 233 ILE   A CG2  1 
ATOM   4117 C CD1  A ILE   A 1 233 ? -16.214 15.216  -18.949 0.45 7.33  ? 233 ILE   A CD1  1 
ATOM   4118 C CD1  B ILE   A 1 233 ? -16.953 14.577  -18.324 0.55 11.24 ? 233 ILE   A CD1  1 
ATOM   4119 H H    A ILE   A 1 233 ? -16.578 14.343  -22.473 0.61 8.31  ? 233 ILE   A H    1 
ATOM   4120 H H    B ILE   A 1 233 ? -16.558 14.275  -22.490 0.39 8.31  ? 233 ILE   A H    1 
ATOM   4121 H HA   A ILE   A 1 233 ? -14.345 14.446  -21.067 0.45 7.88  ? 233 ILE   A HA   1 
ATOM   4122 H HA   B ILE   A 1 233 ? -14.188 14.501  -21.236 0.55 8.59  ? 233 ILE   A HA   1 
ATOM   4123 H HB   A ILE   A 1 233 ? -16.378 12.493  -20.821 0.45 8.56  ? 233 ILE   A HB   1 
ATOM   4124 H HB   B ILE   A 1 233 ? -16.428 12.980  -20.447 0.55 10.18 ? 233 ILE   A HB   1 
ATOM   4125 H HG12 A ILE   A 1 233 ? -17.298 14.655  -20.554 0.45 8.33  ? 233 ILE   A HG12 1 
ATOM   4126 H HG12 B ILE   A 1 233 ? -15.305 15.285  -19.239 0.55 10.45 ? 233 ILE   A HG12 1 
ATOM   4127 H HG13 A ILE   A 1 233 ? -17.505 13.707  -19.296 0.45 8.33  ? 233 ILE   A HG13 1 
ATOM   4128 H HG13 B ILE   A 1 233 ? -16.603 15.336  -20.155 0.55 10.45 ? 233 ILE   A HG13 1 
ATOM   4129 H HG21 A ILE   A 1 233 ? -15.518 12.256  -18.610 0.45 8.76  ? 233 ILE   A HG21 1 
ATOM   4130 H HG21 B ILE   A 1 233 ? -15.217 12.402  -18.545 0.55 8.97  ? 233 ILE   A HG21 1 
ATOM   4131 H HG22 A ILE   A 1 233 ? -14.433 11.878  -19.707 0.45 8.76  ? 233 ILE   A HG22 1 
ATOM   4132 H HG22 B ILE   A 1 233 ? -14.426 11.893  -19.826 0.55 8.97  ? 233 ILE   A HG22 1 
ATOM   4133 H HG23 A ILE   A 1 233 ? -14.371 13.290  -18.982 0.45 8.76  ? 233 ILE   A HG23 1 
ATOM   4134 H HG23 B ILE   A 1 233 ? -13.959 13.214  -19.077 0.55 8.97  ? 233 ILE   A HG23 1 
ATOM   4135 H HD11 A ILE   A 1 233 ? -16.872 15.893  -18.724 0.45 8.80  ? 233 ILE   A HD11 1 
ATOM   4136 H HD11 B ILE   A 1 233 ? -17.241 15.436  -17.978 0.55 13.49 ? 233 ILE   A HD11 1 
ATOM   4137 H HD12 A ILE   A 1 233 ? -15.893 14.785  -18.142 0.45 8.80  ? 233 ILE   A HD12 1 
ATOM   4138 H HD12 B ILE   A 1 233 ? -17.725 14.048  -18.580 0.55 13.49 ? 233 ILE   A HD12 1 
ATOM   4139 H HD13 A ILE   A 1 233 ? -15.473 15.621  -19.425 0.45 8.80  ? 233 ILE   A HD13 1 
ATOM   4140 H HD13 B ILE   A 1 233 ? -16.438 14.106  -17.650 0.55 13.49 ? 233 ILE   A HD13 1 
ATOM   4141 N N    . HIS   A 1 234 ? -13.043 13.040  -22.806 1.00 4.51  ? 234 HIS   A N    1 
ATOM   4142 C CA   . HIS   A 1 234 ? -12.314 12.009  -23.529 1.00 4.01  ? 234 HIS   A CA   1 
ATOM   4143 C C    . HIS   A 1 234 ? -11.968 10.882  -22.567 1.00 3.40  ? 234 HIS   A C    1 
ATOM   4144 O O    . HIS   A 1 234 ? -11.604 11.103  -21.406 1.00 3.88  ? 234 HIS   A O    1 
ATOM   4145 C CB   . HIS   A 1 234 ? -11.017 12.551  -24.130 1.00 3.95  ? 234 HIS   A CB   1 
ATOM   4146 C CG   . HIS   A 1 234 ? -11.217 13.471  -25.277 1.00 3.68  ? 234 HIS   A CG   1 
ATOM   4147 N ND1  . HIS   A 1 234 ? -11.295 13.025  -26.581 1.00 4.05  ? 234 HIS   A ND1  1 
ATOM   4148 C CD2  . HIS   A 1 234 ? -11.284 14.819  -25.293 1.00 4.13  ? 234 HIS   A CD2  1 
ATOM   4149 C CE1  . HIS   A 1 234 ? -11.406 14.089  -27.342 1.00 4.20  ? 234 HIS   A CE1  1 
ATOM   4150 N NE2  . HIS   A 1 234 ? -11.411 15.188  -26.598 1.00 4.25  ? 234 HIS   A NE2  1 
ATOM   4151 H H    . HIS   A 1 234 ? -12.667 13.813  -22.789 1.00 5.41  ? 234 HIS   A H    1 
ATOM   4152 H HA   . HIS   A 1 234 ? -12.867 11.685  -24.257 1.00 4.82  ? 234 HIS   A HA   1 
ATOM   4153 H HB2  . HIS   A 1 234 ? -10.536 13.038  -23.443 1.00 4.73  ? 234 HIS   A HB2  1 
ATOM   4154 H HB3  . HIS   A 1 234 ? -10.484 11.803  -24.442 1.00 4.73  ? 234 HIS   A HB3  1 
ATOM   4155 H HD2  . HIS   A 1 234 ? -11.251 15.386  -24.556 1.00 4.96  ? 234 HIS   A HD2  1 
ATOM   4156 H HE1  . HIS   A 1 234 ? -11.471 14.075  -28.269 1.00 5.04  ? 234 HIS   A HE1  1 
ATOM   4157 H HE2  . HIS   A 1 234 ? -11.482 15.993  -26.890 1.00 5.09  ? 234 HIS   A HE2  1 
ATOM   4158 N N    . PHE   A 1 235 ? -12.063 9.664   -23.073 1.00 3.64  ? 235 PHE   A N    1 
ATOM   4159 C CA   . PHE   A 1 235 ? -11.730 8.467   -22.321 1.00 3.72  ? 235 PHE   A CA   1 
ATOM   4160 C C    . PHE   A 1 235 ? -12.696 8.244   -21.158 1.00 3.43  ? 235 PHE   A C    1 
ATOM   4161 O O    . PHE   A 1 235 ? -12.355 7.654   -20.141 1.00 3.90  ? 235 PHE   A O    1 
ATOM   4162 C CB   . PHE   A 1 235 ? -10.255 8.441   -21.850 1.00 3.37  ? 235 PHE   A CB   1 
ATOM   4163 C CG   . PHE   A 1 235 ? -9.274  8.825   -22.913 1.00 3.90  ? 235 PHE   A CG   1 
ATOM   4164 C CD1  . PHE   A 1 235 ? -8.910  7.957   -23.913 1.00 4.37  ? 235 PHE   A CD1  1 
ATOM   4165 C CD2  . PHE   A 1 235 ? -8.696  10.077  -22.914 1.00 4.23  ? 235 PHE   A CD2  1 
ATOM   4166 C CE1  . PHE   A 1 235 ? -8.035  8.323   -24.919 1.00 6.01  ? 235 PHE   A CE1  1 
ATOM   4167 C CE2  . PHE   A 1 235 ? -7.816  10.466  -23.927 1.00 5.29  ? 235 PHE   A CE2  1 
ATOM   4168 C CZ   . PHE   A 1 235 ? -7.468  9.580   -24.914 1.00 5.38  ? 235 PHE   A CZ   1 
ATOM   4169 H H    . PHE   A 1 235 ? -12.326 9.500   -23.876 1.00 4.37  ? 235 PHE   A H    1 
ATOM   4170 H HA   . PHE   A 1 235 ? -11.824 7.710   -22.919 1.00 4.46  ? 235 PHE   A HA   1 
ATOM   4171 H HB2  . PHE   A 1 235 ? -10.151 9.064   -21.113 1.00 4.05  ? 235 PHE   A HB2  1 
ATOM   4172 H HB3  . PHE   A 1 235 ? -10.037 7.542   -21.558 1.00 4.05  ? 235 PHE   A HB3  1 
ATOM   4173 H HD1  . PHE   A 1 235 ? -9.262  7.096   -23.914 1.00 5.25  ? 235 PHE   A HD1  1 
ATOM   4174 H HD2  . PHE   A 1 235 ? -8.896  10.673  -22.229 1.00 5.08  ? 235 PHE   A HD2  1 
ATOM   4175 H HE1  . PHE   A 1 235 ? -7.829  7.722   -25.598 1.00 7.21  ? 235 PHE   A HE1  1 
ATOM   4176 H HE2  . PHE   A 1 235 ? -7.466  11.328  -23.932 1.00 6.34  ? 235 PHE   A HE2  1 
ATOM   4177 H HZ   . PHE   A 1 235 ? -6.858  9.824   -25.572 1.00 6.45  ? 235 PHE   A HZ   1 
ATOM   4178 N N    . ASP   A 1 236 ? -13.957 8.666   -21.317 1.00 4.13  ? 236 ASP   A N    1 
ATOM   4179 C CA   . ASP   A 1 236 ? -14.943 8.477   -20.256 1.00 4.50  ? 236 ASP   A CA   1 
ATOM   4180 C C    . ASP   A 1 236 ? -15.290 7.014   -20.050 1.00 3.93  ? 236 ASP   A C    1 
ATOM   4181 O O    . ASP   A 1 236 ? -15.376 6.543   -18.905 1.00 6.48  ? 236 ASP   A O    1 
ATOM   4182 C CB   . ASP   A 1 236 ? -16.183 9.371   -20.430 1.00 4.82  ? 236 ASP   A CB   1 
ATOM   4183 C CG   . ASP   A 1 236 ? -16.975 9.227   -21.727 1.00 4.95  ? 236 ASP   A CG   1 
ATOM   4184 O OD1  . ASP   A 1 236 ? -16.585 8.497   -22.667 1.00 5.48  ? 236 ASP   A OD1  1 
ATOM   4185 O OD2  . ASP   A 1 236 ? -18.027 9.941   -21.772 1.00 6.17  ? 236 ASP   A OD2  1 
ATOM   4186 H H    . ASP   A 1 236 ? -14.259 9.059   -22.020 1.00 4.96  ? 236 ASP   A H    1 
ATOM   4187 H HA   . ASP   A 1 236 ? -14.534 8.782   -19.431 1.00 5.40  ? 236 ASP   A HA   1 
ATOM   4188 H HB2  . ASP   A 1 236 ? -16.796 9.176   -19.704 1.00 5.78  ? 236 ASP   A HB2  1 
ATOM   4189 H HB3  . ASP   A 1 236 ? -15.893 10.296  -20.380 1.00 5.78  ? 236 ASP   A HB3  1 
ATOM   4190 N N    . TYR   A 1 237 ? -15.523 6.290   -21.137 1.00 3.73  ? 237 TYR   A N    1 
ATOM   4191 C CA   . TYR   A 1 237 ? -15.876 4.889   -21.118 1.00 3.95  ? 237 TYR   A CA   1 
ATOM   4192 C C    . TYR   A 1 237 ? -14.888 4.111   -21.966 1.00 3.86  ? 237 TYR   A C    1 
ATOM   4193 O O    . TYR   A 1 237 ? -14.523 4.548   -23.056 1.00 4.62  ? 237 TYR   A O    1 
ATOM   4194 C CB   . TYR   A 1 237 ? -17.305 4.644   -21.617 1.00 5.10  ? 237 TYR   A CB   1 
ATOM   4195 C CG   . TYR   A 1 237 ? -18.372 5.207   -20.685 1.00 5.22  ? 237 TYR   A CG   1 
ATOM   4196 C CD1  . TYR   A 1 237 ? -18.781 4.511   -19.565 1.00 7.44  ? 237 TYR   A CD1  1 
ATOM   4197 C CD2  . TYR   A 1 237 ? -18.951 6.427   -20.927 1.00 6.14  ? 237 TYR   A CD2  1 
ATOM   4198 C CE1  . TYR   A 1 237 ? -19.759 5.039   -18.714 1.00 9.18  ? 237 TYR   A CE1  1 
ATOM   4199 C CE2  . TYR   A 1 237 ? -19.911 6.949   -20.095 1.00 7.58  ? 237 TYR   A CE2  1 
ATOM   4200 C CZ   . TYR   A 1 237 ? -20.295 6.263   -18.988 1.00 8.73  ? 237 TYR   A CZ   1 
ATOM   4201 O OH   . TYR   A 1 237 ? -21.276 6.791   -18.174 1.00 12.63 ? 237 TYR   A OH   1 
ATOM   4202 H H    . TYR   A 1 237 ? -15.480 6.610   -21.934 1.00 4.48  ? 237 TYR   A H    1 
ATOM   4203 H HA   . TYR   A 1 237 ? -15.829 4.562   -20.205 1.00 4.74  ? 237 TYR   A HA   1 
ATOM   4204 H HB2  . TYR   A 1 237 ? -17.412 5.067   -22.483 1.00 6.12  ? 237 TYR   A HB2  1 
ATOM   4205 H HB3  . TYR   A 1 237 ? -17.451 3.688   -21.695 1.00 6.12  ? 237 TYR   A HB3  1 
ATOM   4206 H HD1  . TYR   A 1 237 ? -18.402 3.683   -19.373 1.00 8.93  ? 237 TYR   A HD1  1 
ATOM   4207 H HD2  . TYR   A 1 237 ? -18.687 6.913   -21.674 1.00 7.37  ? 237 TYR   A HD2  1 
ATOM   4208 H HE1  . TYR   A 1 237 ? -20.042 4.560   -17.969 1.00 11.02 ? 237 TYR   A HE1  1 
ATOM   4209 H HE2  . TYR   A 1 237 ? -20.297 7.772   -20.291 1.00 9.10  ? 237 TYR   A HE2  1 
ATOM   4210 H HH   . TYR   A 1 237 ? -21.524 7.537   -18.470 1.00 15.15 ? 237 TYR   A HH   1 
ATOM   4211 N N    . TRP   A 1 238 ? -14.523 2.939   -21.461 1.00 3.60  ? 238 TRP   A N    1 
ATOM   4212 C CA   . TRP   A 1 238 ? -13.506 2.073   -22.023 1.00 3.78  ? 238 TRP   A CA   1 
ATOM   4213 C C    . TRP   A 1 238 ? -14.074 0.683   -22.239 1.00 3.77  ? 238 TRP   A C    1 
ATOM   4214 O O    . TRP   A 1 238 ? -14.811 0.165   -21.412 1.00 4.30  ? 238 TRP   A O    1 
ATOM   4215 C CB   . TRP   A 1 238 ? -12.329 1.917   -21.051 1.00 4.03  ? 238 TRP   A CB   1 
ATOM   4216 C CG   . TRP   A 1 238 ? -11.530 3.170   -20.840 1.00 3.76  ? 238 TRP   A CG   1 
ATOM   4217 C CD1  . TRP   A 1 238 ? -11.957 4.347   -20.298 1.00 4.00  ? 238 TRP   A CD1  1 
ATOM   4218 C CD2  . TRP   A 1 238 ? -10.144 3.358   -21.160 1.00 3.40  ? 238 TRP   A CD2  1 
ATOM   4219 N NE1  . TRP   A 1 238 ? -10.923 5.245   -20.250 1.00 3.93  ? 238 TRP   A NE1  1 
ATOM   4220 C CE2  . TRP   A 1 238 ? -9.807  4.668   -20.802 1.00 3.74  ? 238 TRP   A CE2  1 
ATOM   4221 C CE3  . TRP   A 1 238 ? -9.155  2.529   -21.688 1.00 4.61  ? 238 TRP   A CE3  1 
ATOM   4222 C CZ2  . TRP   A 1 238 ? -8.521  5.169   -20.978 1.00 4.34  ? 238 TRP   A CZ2  1 
ATOM   4223 C CZ3  . TRP   A 1 238 ? -7.877  3.024   -21.863 1.00 5.09  ? 238 TRP   A CZ3  1 
ATOM   4224 C CH2  . TRP   A 1 238 ? -7.581  4.337   -21.524 1.00 4.90  ? 238 TRP   A CH2  1 
ATOM   4225 H H    . TRP   A 1 238 ? -14.874 2.607   -20.750 1.00 4.31  ? 238 TRP   A H    1 
ATOM   4226 H HA   . TRP   A 1 238 ? -13.210 2.446   -22.869 1.00 4.54  ? 238 TRP   A HA   1 
ATOM   4227 H HB2  . TRP   A 1 238 ? -12.675 1.641   -20.189 1.00 4.84  ? 238 TRP   A HB2  1 
ATOM   4228 H HB3  . TRP   A 1 238 ? -11.727 1.241   -21.400 1.00 4.84  ? 238 TRP   A HB3  1 
ATOM   4229 H HD1  . TRP   A 1 238 ? -12.823 4.514   -20.003 1.00 4.80  ? 238 TRP   A HD1  1 
ATOM   4230 H HE1  . TRP   A 1 238 ? -10.967 6.041   -19.928 1.00 4.71  ? 238 TRP   A HE1  1 
ATOM   4231 H HE3  . TRP   A 1 238 ? -9.354  1.650   -21.920 1.00 5.53  ? 238 TRP   A HE3  1 
ATOM   4232 H HZ2  . TRP   A 1 238 ? -8.306  6.040   -20.732 1.00 5.21  ? 238 TRP   A HZ2  1 
ATOM   4233 H HZ3  . TRP   A 1 238 ? -7.211  2.475   -22.209 1.00 6.11  ? 238 TRP   A HZ3  1 
ATOM   4234 H HH2  . TRP   A 1 238 ? -6.722  4.660   -21.672 1.00 5.88  ? 238 TRP   A HH2  1 
ATOM   4235 N N    . GLY   A 1 239 ? -13.595 0.040   -23.306 1.00 3.48  ? 239 GLY   A N    1 
ATOM   4236 C CA   . GLY   A 1 239 ? -13.738 -1.392  -23.424 1.00 3.86  ? 239 GLY   A CA   1 
ATOM   4237 C C    . GLY   A 1 239 ? -12.916 -2.096  -22.371 1.00 3.88  ? 239 GLY   A C    1 
ATOM   4238 O O    . GLY   A 1 239 ? -12.038 -1.504  -21.742 1.00 4.40  ? 239 GLY   A O    1 
ATOM   4239 H H    . GLY   A 1 239 ? -13.189 0.416   -23.965 1.00 4.18  ? 239 GLY   A H    1 
ATOM   4240 H HA2  . GLY   A 1 239 ? -14.669 -1.639  -23.311 1.00 4.63  ? 239 GLY   A HA2  1 
ATOM   4241 H HA3  . GLY   A 1 239 ? -13.438 -1.681  -24.300 1.00 4.63  ? 239 GLY   A HA3  1 
ATOM   4242 N N    . GLN   A 1 240 ? -13.161 -3.394  -22.204 1.00 4.00  ? 240 GLN   A N    1 
ATOM   4243 C CA   A GLN   A 1 240 ? -12.461 -4.167  -21.186 0.63 4.58  ? 240 GLN   A CA   1 
ATOM   4244 C CA   B GLN   A 1 240 ? -12.446 -4.106  -21.152 0.37 5.22  ? 240 GLN   A CA   1 
ATOM   4245 C C    . GLN   A 1 240 ? -10.995 -4.366  -21.504 1.00 4.88  ? 240 GLN   A C    1 
ATOM   4246 O O    . GLN   A 1 240 ? -10.222 -4.665  -20.593 1.00 7.20  ? 240 GLN   A O    1 
ATOM   4247 C CB   A GLN   A 1 240 ? -13.105 -5.550  -21.021 0.63 4.91  ? 240 GLN   A CB   1 
ATOM   4248 C CB   B GLN   A 1 240 ? -13.130 -5.421  -20.742 0.37 9.45  ? 240 GLN   A CB   1 
ATOM   4249 C CG   A GLN   A 1 240 ? -12.802 -6.529  -22.155 0.63 5.27  ? 240 GLN   A CG   1 
ATOM   4250 C CG   B GLN   A 1 240 ? -13.585 -6.321  -21.871 0.37 14.77 ? 240 GLN   A CG   1 
ATOM   4251 C CD   A GLN   A 1 240 ? -13.269 -7.955  -21.805 0.63 7.27  ? 240 GLN   A CD   1 
ATOM   4252 C CD   B GLN   A 1 240 ? -12.804 -7.610  -22.028 0.37 14.57 ? 240 GLN   A CD   1 
ATOM   4253 O OE1  A GLN   A 1 240 ? -13.241 -8.373  -20.641 0.63 10.86 ? 240 GLN   A OE1  1 
ATOM   4254 O OE1  B GLN   A 1 240 ? -12.481 -7.983  -23.156 0.37 12.84 ? 240 GLN   A OE1  1 
ATOM   4255 N NE2  A GLN   A 1 240 ? -13.684 -8.705  -22.814 0.63 6.27  ? 240 GLN   A NE2  1 
ATOM   4256 N NE2  B GLN   A 1 240 ? -12.533 -8.312  -20.923 0.37 14.25 ? 240 GLN   A NE2  1 
ATOM   4257 H H    A GLN   A 1 240 ? -13.726 -3.849  -22.666 0.63 4.80  ? 240 GLN   A H    1 
ATOM   4258 H H    B GLN   A 1 240 ? -13.712 -3.865  -22.666 0.37 4.80  ? 240 GLN   A H    1 
ATOM   4259 H HA   A GLN   A 1 240 ? -12.538 -3.681  -20.351 0.63 5.50  ? 240 GLN   A HA   1 
ATOM   4260 H HA   B GLN   A 1 240 ? -12.477 -3.536  -20.367 0.37 6.27  ? 240 GLN   A HA   1 
ATOM   4261 H HB2  A GLN   A 1 240 ? -12.780 -5.946  -20.198 0.63 5.90  ? 240 GLN   A HB2  1 
ATOM   4262 H HB2  B GLN   A 1 240 ? -12.504 -5.931  -20.205 0.37 11.34 ? 240 GLN   A HB2  1 
ATOM   4263 H HB3  A GLN   A 1 240 ? -14.068 -5.439  -20.979 0.63 5.90  ? 240 GLN   A HB3  1 
ATOM   4264 H HB3  B GLN   A 1 240 ? -13.916 -5.201  -20.218 0.37 11.34 ? 240 GLN   A HB3  1 
ATOM   4265 H HG2  A GLN   A 1 240 ? -13.265 -6.244  -22.958 0.63 6.32  ? 240 GLN   A HG2  1 
ATOM   4266 H HG2  B GLN   A 1 240 ? -14.511 -6.562  -21.716 0.37 17.73 ? 240 GLN   A HG2  1 
ATOM   4267 H HG3  A GLN   A 1 240 ? -11.846 -6.551  -22.313 0.63 6.32  ? 240 GLN   A HG3  1 
ATOM   4268 H HG3  B GLN   A 1 240 ? -13.505 -5.832  -22.705 0.37 17.73 ? 240 GLN   A HG3  1 
ATOM   4269 H HE21 A GLN   A 1 240 ? -13.683 -8.389  -23.614 0.63 7.53  ? 240 GLN   A HE21 1 
ATOM   4270 H HE21 B GLN   A 1 240 ? -12.800 -8.028  -20.156 0.37 17.11 ? 240 GLN   A HE21 1 
ATOM   4271 H HE22 A GLN   A 1 240 ? -13.954 -9.509  -22.670 0.63 7.53  ? 240 GLN   A HE22 1 
ATOM   4272 H HE22 B GLN   A 1 240 ? -12.092 -9.048  -20.978 0.37 17.11 ? 240 GLN   A HE22 1 
ATOM   4273 N N    . GLY   A 1 241 ? -10.624 -4.222  -22.770 1.00 4.56  ? 241 GLY   A N    1 
ATOM   4274 C CA   . GLY   A 1 241 ? -9.271  -4.484  -23.219 1.00 5.45  ? 241 GLY   A CA   1 
ATOM   4275 C C    . GLY   A 1 241 ? -9.170  -5.885  -23.774 1.00 5.81  ? 241 GLY   A C    1 
ATOM   4276 O O    . GLY   A 1 241 ? -9.530  -6.854  -23.098 1.00 10.55 ? 241 GLY   A O    1 
ATOM   4277 H H    . GLY   A 1 241 ? -11.152 -3.969  -23.399 1.00 5.47  ? 241 GLY   A H    1 
ATOM   4278 H HA2  . GLY   A 1 241 ? -9.026  -3.851  -23.913 1.00 6.54  ? 241 GLY   A HA2  1 
ATOM   4279 H HA3  . GLY   A 1 241 ? -8.653  -4.393  -22.477 1.00 6.54  ? 241 GLY   A HA3  1 
ATOM   4280 N N    . THR   A 1 242 ? -8.634  -6.022  -24.981 1.00 4.89  ? 242 THR   A N    1 
ATOM   4281 C CA   . THR   A 1 242 ? -8.327  -7.313  -25.577 1.00 4.70  ? 242 THR   A CA   1 
ATOM   4282 C C    . THR   A 1 242 ? -6.852  -7.608  -25.363 1.00 3.94  ? 242 THR   A C    1 
ATOM   4283 O O    . THR   A 1 242 ? -5.998  -6.807  -25.755 1.00 4.75  ? 242 THR   A O    1 
ATOM   4284 C CB   . THR   A 1 242 ? -8.597  -7.297  -27.083 1.00 4.80  ? 242 THR   A CB   1 
ATOM   4285 O OG1  . THR   A 1 242 ? -9.963  -6.971  -27.332 1.00 5.90  ? 242 THR   A OG1  1 
ATOM   4286 C CG2  . THR   A 1 242 ? -8.260  -8.629  -27.730 1.00 5.47  ? 242 THR   A CG2  1 
ATOM   4287 H H    . THR   A 1 242 ? -8.433  -5.359  -25.490 1.00 5.87  ? 242 THR   A H    1 
ATOM   4288 H HA   . THR   A 1 242 ? -8.874  -7.998  -25.161 1.00 5.64  ? 242 THR   A HA   1 
ATOM   4289 H HB   . THR   A 1 242 ? -8.029  -6.625  -27.490 1.00 5.76  ? 242 THR   A HB   1 
ATOM   4290 H HG1  . THR   A 1 242 ? -10.460 -7.595  -27.067 1.00 7.08  ? 242 THR   A HG1  1 
ATOM   4291 H HG21 . THR   A 1 242 ? -8.550  -8.631  -28.656 1.00 6.57  ? 242 THR   A HG21 1 
ATOM   4292 H HG22 . THR   A 1 242 ? -7.302  -8.778  -27.701 1.00 6.57  ? 242 THR   A HG22 1 
ATOM   4293 H HG23 . THR   A 1 242 ? -8.706  -9.350  -27.258 1.00 6.57  ? 242 THR   A HG23 1 
ATOM   4294 N N    . THR   A 1 243 ? -6.563  -8.756  -24.775 1.00 4.06  ? 243 THR   A N    1 
ATOM   4295 C CA   . THR   A 1 243 ? -5.181  -9.203  -24.642 1.00 4.41  ? 243 THR   A CA   1 
ATOM   4296 C C    . THR   A 1 243 ? -4.746  -9.838  -25.951 1.00 4.67  ? 243 THR   A C    1 
ATOM   4297 O O    . THR   A 1 243 ? -5.267  -10.891 -26.330 1.00 8.16  ? 243 THR   A O    1 
ATOM   4298 C CB   . THR   A 1 243 ? -5.027  -10.209 -23.514 1.00 5.73  ? 243 THR   A CB   1 
ATOM   4299 O OG1  . THR   A 1 243 ? -5.286  -9.570  -22.271 1.00 8.23  ? 243 THR   A OG1  1 
ATOM   4300 C CG2  . THR   A 1 243 ? -3.647  -10.805 -23.485 1.00 8.59  ? 243 THR   A CG2  1 
ATOM   4301 H H    . THR   A 1 243 ? -7.145  -9.296  -24.444 1.00 4.87  ? 243 THR   A H    1 
ATOM   4302 H HA   . THR   A 1 243 ? -4.622  -8.436  -24.439 1.00 5.29  ? 243 THR   A HA   1 
ATOM   4303 H HB   . THR   A 1 243 ? -5.658  -10.933 -23.654 1.00 6.88  ? 243 THR   A HB   1 
ATOM   4304 H HG1  . THR   A 1 243 ? -4.692  -8.997  -22.114 1.00 9.87  ? 243 THR   A HG1  1 
ATOM   4305 H HG21 . THR   A 1 243 ? -3.524  -11.318 -22.671 1.00 10.31 ? 243 THR   A HG21 1 
ATOM   4306 H HG22 . THR   A 1 243 ? -3.522  -11.390 -24.249 1.00 10.31 ? 243 THR   A HG22 1 
ATOM   4307 H HG23 . THR   A 1 243 ? -2.981  -10.100 -23.517 1.00 10.31 ? 243 THR   A HG23 1 
ATOM   4308 N N    . LEU   A 1 244 ? -3.756  -9.247  -26.604 1.00 4.33  ? 244 LEU   A N    1 
ATOM   4309 C CA   . LEU   A 1 244 ? -3.153  -9.836  -27.784 1.00 4.07  ? 244 LEU   A CA   1 
ATOM   4310 C C    . LEU   A 1 244 ? -1.838  -10.479 -27.364 1.00 4.86  ? 244 LEU   A C    1 
ATOM   4311 O O    . LEU   A 1 244 ? -1.006  -9.835  -26.713 1.00 5.04  ? 244 LEU   A O    1 
ATOM   4312 C CB   . LEU   A 1 244 ? -2.855  -8.774  -28.844 1.00 4.87  ? 244 LEU   A CB   1 
ATOM   4313 C CG   . LEU   A 1 244 ? -2.092  -9.277  -30.065 1.00 5.31  ? 244 LEU   A CG   1 
ATOM   4314 C CD1  . LEU   A 1 244 ? -2.893  -10.290 -30.846 1.00 6.20  ? 244 LEU   A CD1  1 
ATOM   4315 C CD2  . LEU   A 1 244 ? -1.709  -8.098  -30.938 1.00 6.70  ? 244 LEU   A CD2  1 
ATOM   4316 H H    . LEU   A 1 244 ? -3.412  -8.493  -26.377 1.00 5.20  ? 244 LEU   A H    1 
ATOM   4317 H HA   . LEU   A 1 244 ? -3.755  -10.494 -28.165 1.00 4.89  ? 244 LEU   A HA   1 
ATOM   4318 H HB2  . LEU   A 1 244 ? -3.698  -8.409  -29.157 1.00 5.85  ? 244 LEU   A HB2  1 
ATOM   4319 H HB3  . LEU   A 1 244 ? -2.322  -8.074  -28.435 1.00 5.85  ? 244 LEU   A HB3  1 
ATOM   4320 H HG   . LEU   A 1 244 ? -1.286  -9.729  -29.771 1.00 6.37  ? 244 LEU   A HG   1 
ATOM   4321 H HD11 . LEU   A 1 244 ? -2.404  -10.528 -31.649 1.00 7.43  ? 244 LEU   A HD11 1 
ATOM   4322 H HD12 . LEU   A 1 244 ? -3.028  -11.078 -30.296 1.00 7.43  ? 244 LEU   A HD12 1 
ATOM   4323 H HD13 . LEU   A 1 244 ? -3.749  -9.901  -31.083 1.00 7.43  ? 244 LEU   A HD13 1 
ATOM   4324 H HD21 . LEU   A 1 244 ? -1.233  -8.424  -31.718 1.00 8.03  ? 244 LEU   A HD21 1 
ATOM   4325 H HD22 . LEU   A 1 244 ? -2.515  -7.633  -31.212 1.00 8.03  ? 244 LEU   A HD22 1 
ATOM   4326 H HD23 . LEU   A 1 244 ? -1.139  -7.500  -30.429 1.00 8.03  ? 244 LEU   A HD23 1 
ATOM   4327 N N    . THR   A 1 245 ? -1.639  -11.731 -27.753 1.00 4.57  ? 245 THR   A N    1 
ATOM   4328 C CA   . THR   A 1 245 ? -0.360  -12.405 -27.601 1.00 4.90  ? 245 THR   A CA   1 
ATOM   4329 C C    . THR   A 1 245 ? 0.164   -12.713 -28.992 1.00 4.83  ? 245 THR   A C    1 
ATOM   4330 O O    . THR   A 1 245 ? -0.550  -13.276 -29.820 1.00 7.28  ? 245 THR   A O    1 
ATOM   4331 C CB   . THR   A 1 245 ? -0.517  -13.689 -26.790 1.00 6.76  ? 245 THR   A CB   1 
ATOM   4332 O OG1  . THR   A 1 245 ? -1.132  -13.384 -25.547 1.00 7.42  ? 245 THR   A OG1  1 
ATOM   4333 C CG2  . THR   A 1 245 ? 0.839   -14.320 -26.526 1.00 9.29  ? 245 THR   A CG2  1 
ATOM   4334 H H    . THR   A 1 245 ? -2.245  -12.220 -28.117 1.00 5.48  ? 245 THR   A H    1 
ATOM   4335 H HA   . THR   A 1 245 ? 0.277   -11.840 -27.138 1.00 5.88  ? 245 THR   A HA   1 
ATOM   4336 H HB   . THR   A 1 245 ? -1.062  -14.321 -27.283 1.00 8.11  ? 245 THR   A HB   1 
ATOM   4337 H HG1  . THR   A 1 245 ? -0.656  -12.842 -25.117 1.00 8.91  ? 245 THR   A HG1  1 
ATOM   4338 H HG21 . THR   A 1 245 ? 0.744   -15.068 -25.916 1.00 11.15 ? 245 THR   A HG21 1 
ATOM   4339 H HG22 . THR   A 1 245 ? 1.224   -14.639 -27.357 1.00 11.15 ? 245 THR   A HG22 1 
ATOM   4340 H HG23 . THR   A 1 245 ? 1.438   -13.667 -26.132 1.00 11.15 ? 245 THR   A HG23 1 
ATOM   4341 N N    . VAL   A 1 246 ? 1.402   -12.316 -29.254 1.00 4.94  ? 246 VAL   A N    1 
ATOM   4342 C CA   . VAL   A 1 246 ? 2.071   -12.617 -30.511 1.00 5.30  ? 246 VAL   A CA   1 
ATOM   4343 C C    . VAL   A 1 246 ? 3.060   -13.725 -30.238 1.00 7.09  ? 246 VAL   A C    1 
ATOM   4344 O O    . VAL   A 1 246 ? 4.004   -13.549 -29.456 1.00 10.37 ? 246 VAL   A O    1 
ATOM   4345 C CB   . VAL   A 1 246 ? 2.770   -11.382 -31.088 1.00 5.87  ? 246 VAL   A CB   1 
ATOM   4346 C CG1  . VAL   A 1 246 ? 3.486   -11.746 -32.376 1.00 6.46  ? 246 VAL   A CG1  1 
ATOM   4347 C CG2  . VAL   A 1 246 ? 1.777   -10.275 -31.288 1.00 6.16  ? 246 VAL   A CG2  1 
ATOM   4348 H H    . VAL   A 1 246 ? 1.885   -11.861 -28.707 1.00 5.93  ? 246 VAL   A H    1 
ATOM   4349 H HA   . VAL   A 1 246 ? 1.423   -12.925 -31.164 1.00 6.36  ? 246 VAL   A HA   1 
ATOM   4350 H HB   . VAL   A 1 246 ? 3.441   -11.059 -30.465 1.00 7.04  ? 246 VAL   A HB   1 
ATOM   4351 H HG11 . VAL   A 1 246 ? 3.912   -10.952 -32.736 1.00 7.76  ? 246 VAL   A HG11 1 
ATOM   4352 H HG12 . VAL   A 1 246 ? 4.155   -12.423 -32.186 1.00 7.76  ? 246 VAL   A HG12 1 
ATOM   4353 H HG13 . VAL   A 1 246 ? 2.839   -12.090 -33.011 1.00 7.76  ? 246 VAL   A HG13 1 
ATOM   4354 H HG21 . VAL   A 1 246 ? 2.211   -9.542  -31.751 1.00 7.39  ? 246 VAL   A HG21 1 
ATOM   4355 H HG22 . VAL   A 1 246 ? 1.036   -10.608 -31.817 1.00 7.39  ? 246 VAL   A HG22 1 
ATOM   4356 H HG23 . VAL   A 1 246 ? 1.458   -9.977  -30.422 1.00 7.39  ? 246 VAL   A HG23 1 
ATOM   4357 N N    . SER   A 1 247 ? 2.850   -14.863 -30.879 1.00 7.80  ? 247 SER   A N    1 
ATOM   4358 C CA   . SER   A 1 247 ? 3.667   -16.024 -30.615 1.00 11.50 ? 247 SER   A CA   1 
ATOM   4359 C C    . SER   A 1 247 ? 3.621   -16.952 -31.802 1.00 13.98 ? 247 SER   A C    1 
ATOM   4360 O O    . SER   A 1 247 ? 2.587   -17.100 -32.450 1.00 15.45 ? 247 SER   A O    1 
ATOM   4361 C CB   . SER   A 1 247 ? 3.144   -16.778 -29.394 1.00 13.90 ? 247 SER   A CB   1 
ATOM   4362 O OG   . SER   A 1 247 ? 3.953   -17.902 -29.080 1.00 19.08 ? 247 SER   A OG   1 
ATOM   4363 H H    . SER   A 1 247 ? 2.239   -14.985 -31.472 1.00 9.35  ? 247 SER   A H    1 
ATOM   4364 H HA   . SER   A 1 247 ? 4.583   -15.740 -30.473 1.00 13.80 ? 247 SER   A HA   1 
ATOM   4365 H HB2  . SER   A 1 247 ? 3.138   -16.175 -28.634 1.00 16.68 ? 247 SER   A HB2  1 
ATOM   4366 H HB3  . SER   A 1 247 ? 2.243   -17.086 -29.580 1.00 16.68 ? 247 SER   A HB3  1 
ATOM   4367 H HG   . SER   A 1 247 ? 3.628   -18.316 -28.425 1.00 22.90 ? 247 SER   A HG   1 
ATOM   4368 N N    . SER   A 1 248 ? 4.745   -17.626 -32.009 1.00 18.81 ? 248 SER   A N    1 
ATOM   4369 C CA   . SER   A 1 248 ? 4.840   -18.761 -32.898 1.00 21.79 ? 248 SER   A CA   1 
ATOM   4370 C C    . SER   A 1 248 ? 4.233   -19.944 -32.151 1.00 25.73 ? 248 SER   A C    1 
ATOM   4371 O O    . SER   A 1 248 ? 4.036   -19.876 -30.929 1.00 26.71 ? 248 SER   A O    1 
ATOM   4372 C CB   . SER   A 1 248 ? 6.308   -19.046 -33.240 1.00 26.47 ? 248 SER   A CB   1 
ATOM   4373 O OG   . SER   A 1 248 ? 7.024   -19.484 -32.096 1.00 31.12 ? 248 SER   A OG   1 
ATOM   4374 O OXT  . SER   A 1 248 ? 3.932   -20.982 -32.754 1.00 28.00 ? 248 SER   A OXT  1 
ATOM   4375 H H    . SER   A 1 248 ? 5.492   -17.433 -31.629 1.00 22.57 ? 248 SER   A H    1 
ATOM   4376 H HA   . SER   A 1 248 ? 4.383   -18.608 -33.740 1.00 26.15 ? 248 SER   A HA   1 
ATOM   4377 H HB2  . SER   A 1 248 ? 6.344   -19.739 -33.918 1.00 31.77 ? 248 SER   A HB2  1 
ATOM   4378 H HB3  . SER   A 1 248 ? 6.716   -18.233 -33.576 1.00 31.77 ? 248 SER   A HB3  1 
ATOM   4379 H HG   . SER   A 1 248 ? 6.795   -20.267 -31.896 1.00 37.34 ? 248 SER   A HG   1 
HETATM 4380 C C10  . A1LZO B 2 .   ? -10.373 18.598  -27.320 1.00 5.12  ? 401 A1LZO A C10  1 
HETATM 4381 N N12  . A1LZO B 2 .   ? -10.343 19.890  -27.139 1.00 5.74  ? 401 A1LZO A N12  1 
HETATM 4382 C C01  . A1LZO B 2 .   ? -8.967  17.897  -31.379 1.00 7.86  ? 401 A1LZO A C01  1 
HETATM 4383 C C02  . A1LZO B 2 .   ? -8.810  16.572  -31.705 1.00 6.50  ? 401 A1LZO A C02  1 
HETATM 4384 C C03  . A1LZO B 2 .   ? -8.694  15.663  -30.630 1.00 6.03  ? 401 A1LZO A C03  1 
HETATM 4385 C C04  . A1LZO B 2 .   ? -8.784  16.065  -29.298 1.00 5.58  ? 401 A1LZO A C04  1 
HETATM 4386 C C05  . A1LZO B 2 .   ? -8.941  17.405  -28.983 1.00 5.74  ? 401 A1LZO A C05  1 
HETATM 4387 C C06  . A1LZO B 2 .   ? -9.026  18.316  -30.047 1.00 7.37  ? 401 A1LZO A C06  1 
HETATM 4388 C C08  . A1LZO B 2 .   ? -11.209 22.145  -26.605 1.00 8.60  ? 401 A1LZO A C08  1 
HETATM 4389 C C09  . A1LZO B 2 .   ? -9.018  17.903  -27.576 1.00 5.61  ? 401 A1LZO A C09  1 
HETATM 4390 C C18  . A1LZO B 2 .   ? -11.535 20.668  -26.866 1.00 6.08  ? 401 A1LZO A C18  1 
HETATM 4391 N N11  . A1LZO B 2 .   ? -8.527  14.219  -30.900 1.00 5.97  ? 401 A1LZO A N11  1 
HETATM 4392 O O07  . A1LZO B 2 .   ? -8.794  16.181  -32.985 1.00 8.17  ? 401 A1LZO A O07  1 
HETATM 4393 O O13  . A1LZO B 2 .   ? -10.023 22.506  -26.683 1.00 10.65 ? 401 A1LZO A O13  1 
HETATM 4394 O O14  . A1LZO B 2 .   ? -12.181 22.873  -26.351 1.00 9.90  ? 401 A1LZO A O14  1 
HETATM 4395 O O15  . A1LZO B 2 .   ? -8.664  13.435  -29.937 1.00 6.69  ? 401 A1LZO A O15  1 
HETATM 4396 O O16  . A1LZO B 2 .   ? -8.235  13.835  -32.047 1.00 9.25  ? 401 A1LZO A O16  1 
HETATM 4397 O O17  . A1LZO B 2 .   ? -11.437 17.952  -27.308 1.00 5.20  ? 401 A1LZO A O17  1 
HETATM 4398 H H121 . A1LZO B 2 .   ? -9.467  20.449  -27.179 1.00 6.89  ? 401 A1LZO A H121 1 
HETATM 4399 H H011 . A1LZO B 2 .   ? -9.049  18.659  -32.219 1.00 9.43  ? 401 A1LZO A H011 1 
HETATM 4400 H H041 . A1LZO B 2 .   ? -8.730  15.297  -28.460 1.00 6.70  ? 401 A1LZO A H041 1 
HETATM 4401 H H061 . A1LZO B 2 .   ? -9.146  19.428  -29.807 1.00 8.85  ? 401 A1LZO A H061 1 
HETATM 4402 H H091 . A1LZO B 2 .   ? -8.171  18.630  -27.346 1.00 6.73  ? 401 A1LZO A H091 1 
HETATM 4403 H H092 . A1LZO B 2 .   ? -8.879  17.056  -26.828 1.00 6.73  ? 401 A1LZO A H092 1 
HETATM 4404 H H182 . A1LZO B 2 .   ? -12.088 20.235  -25.964 1.00 7.30  ? 401 A1LZO A H182 1 
HETATM 4405 H H181 . A1LZO B 2 .   ? -12.265 20.589  -27.743 1.00 7.30  ? 401 A1LZO A H181 1 
HETATM 4406 H H071 . A1LZO B 2 .   ? -9.163  16.846  -33.616 1.00 9.80  ? 401 A1LZO A H071 1 
HETATM 4407 C C1   A GOL   C 3 .   ? -8.587  9.628   -43.299 0.57 17.31 ? 402 GOL   A C1   1 
HETATM 4408 C C1   B GOL   C 3 .   ? -8.646  9.828   -43.292 0.43 5.75  ? 402 GOL   A C1   1 
HETATM 4409 O O1   A GOL   C 3 .   ? -8.579  10.461  -42.166 0.57 14.20 ? 402 GOL   A O1   1 
HETATM 4410 O O1   B GOL   C 3 .   ? -8.664  10.638  -42.173 0.43 3.27  ? 402 GOL   A O1   1 
HETATM 4411 C C2   A GOL   C 3 .   ? -9.951  9.796   -44.027 0.57 15.64 ? 402 GOL   A C2   1 
HETATM 4412 C C2   B GOL   C 3 .   ? -10.049 9.701   -43.767 0.43 7.38  ? 402 GOL   A C2   1 
HETATM 4413 O O2   A GOL   C 3 .   ? -10.169 11.072  -44.497 0.57 20.89 ? 402 GOL   A O2   1 
HETATM 4414 O O2   B GOL   C 3 .   ? -10.670 10.923  -43.940 0.43 6.88  ? 402 GOL   A O2   1 
HETATM 4415 C C3   A GOL   C 3 .   ? -9.891  8.872   -45.226 0.57 15.52 ? 402 GOL   A C3   1 
HETATM 4416 C C3   B GOL   C 3 .   ? -10.023 8.837   -45.015 0.43 10.99 ? 402 GOL   A C3   1 
HETATM 4417 O O3   A GOL   C 3 .   ? -9.420  9.692   -46.238 0.57 11.32 ? 402 GOL   A O3   1 
HETATM 4418 O O3   B GOL   C 3 .   ? -9.767  7.552   -44.543 0.43 17.67 ? 402 GOL   A O3   1 
HETATM 4419 H H11  A GOL   C 3 .   ? -8.468  8.693   -43.070 0.57 20.77 ? 402 GOL   A H11  1 
HETATM 4420 H H11  B GOL   C 3 .   ? -8.290  8.945   -43.107 0.43 6.90  ? 402 GOL   A H11  1 
HETATM 4421 H H12  A GOL   C 3 .   ? -7.872  9.844   -43.919 0.57 20.77 ? 402 GOL   A H12  1 
HETATM 4422 H H12  B GOL   C 3 .   ? -8.099  10.192  -44.006 0.43 6.90  ? 402 GOL   A H12  1 
HETATM 4423 H HO1  A GOL   C 3 .   ? -8.735  11.248  -42.441 0.57 17.04 ? 402 GOL   A HO1  1 
HETATM 4424 H HO1  B GOL   C 3 .   ? -9.247  11.231  -42.314 0.43 3.93  ? 402 GOL   A HO1  1 
HETATM 4425 H H2   A GOL   C 3 .   ? -10.651 9.579   -43.392 0.57 18.77 ? 402 GOL   A H2   1 
HETATM 4426 H H2   B GOL   C 3 .   ? -10.576 9.249   -43.089 0.43 8.86  ? 402 GOL   A H2   1 
HETATM 4427 H HO2  A GOL   C 3 .   ? -10.865 11.053  -44.989 0.57 25.07 ? 402 GOL   A HO2  1 
HETATM 4428 H HO2  B GOL   C 3 .   ? -11.080 11.110  -43.226 0.43 8.26  ? 402 GOL   A HO2  1 
HETATM 4429 H H31  A GOL   C 3 .   ? -10.768 8.494   -45.397 0.57 18.63 ? 402 GOL   A H31  1 
HETATM 4430 H H31  B GOL   C 3 .   ? -9.351  9.172   -45.629 0.43 13.18 ? 402 GOL   A H31  1 
HETATM 4431 H H32  A GOL   C 3 .   ? -9.318  8.113   -45.031 0.57 18.63 ? 402 GOL   A H32  1 
HETATM 4432 H H32  B GOL   C 3 .   ? -10.866 8.921   -45.488 0.43 13.18 ? 402 GOL   A H32  1 
HETATM 4433 H HO3  A GOL   C 3 .   ? -9.380  9.213   -46.945 0.57 13.58 ? 402 GOL   A HO3  1 
HETATM 4434 H HO3  B GOL   C 3 .   ? -8.938  7.413   -44.653 0.43 21.20 ? 402 GOL   A HO3  1 
HETATM 4435 C C1   . GOL   D 3 .   ? 2.614   23.778  -25.179 0.69 11.14 ? 403 GOL   A C1   1 
HETATM 4436 O O1   . GOL   D 3 .   ? 3.560   23.571  -24.133 0.69 9.86  ? 403 GOL   A O1   1 
HETATM 4437 C C2   . GOL   D 3 .   ? 1.842   22.460  -25.472 0.69 10.84 ? 403 GOL   A C2   1 
HETATM 4438 O O2   . GOL   D 3 .   ? 1.215   21.991  -24.355 0.69 7.66  ? 403 GOL   A O2   1 
HETATM 4439 C C3   . GOL   D 3 .   ? 0.830   22.752  -26.620 0.69 12.28 ? 403 GOL   A C3   1 
HETATM 4440 O O3   . GOL   D 3 .   ? 0.127   21.543  -26.961 0.69 10.35 ? 403 GOL   A O3   1 
HETATM 4441 H H11  . GOL   D 3 .   ? 3.040   24.071  -26.000 0.69 13.37 ? 403 GOL   A H11  1 
HETATM 4442 H H12  . GOL   D 3 .   ? 1.969   24.466  -24.954 0.69 13.37 ? 403 GOL   A H12  1 
HETATM 4443 H HO1  . GOL   D 3 .   ? 3.115   23.507  -23.415 0.69 11.84 ? 403 GOL   A HO1  1 
HETATM 4444 H H2   . GOL   D 3 .   ? 2.472   21.782  -25.762 0.69 13.01 ? 403 GOL   A H2   1 
HETATM 4445 H HO2  . GOL   D 3 .   ? 0.474   22.396  -24.287 0.69 9.19  ? 403 GOL   A HO2  1 
HETATM 4446 H H31  . GOL   D 3 .   ? 1.322   23.124  -27.367 0.69 14.74 ? 403 GOL   A H31  1 
HETATM 4447 H H32  . GOL   D 3 .   ? 0.237   23.461  -26.324 0.69 14.74 ? 403 GOL   A H32  1 
HETATM 4448 H HO3  . GOL   D 3 .   ? -0.086  21.163  -26.231 0.69 12.42 ? 403 GOL   A HO3  1 
HETATM 4449 C C1   A GOL   E 3 .   ? 1.595   8.384   -23.628 0.53 7.15  ? 404 GOL   A C1   1 
HETATM 4450 C C1   B GOL   E 3 .   ? 2.343   7.926   -22.795 0.47 15.52 ? 404 GOL   A C1   1 
HETATM 4451 O O1   A GOL   E 3 .   ? 0.780   8.129   -24.733 0.53 8.61  ? 404 GOL   A O1   1 
HETATM 4452 O O1   B GOL   E 3 .   ? 1.788   7.616   -24.075 0.47 13.07 ? 404 GOL   A O1   1 
HETATM 4453 C C2   A GOL   E 3 .   ? 3.098   8.143   -23.751 0.53 7.29  ? 404 GOL   A C2   1 
HETATM 4454 C C2   B GOL   E 3 .   ? 3.475   6.968   -22.517 0.47 18.30 ? 404 GOL   A C2   1 
HETATM 4455 O O2   A GOL   E 3 .   ? 3.916   8.838   -24.738 0.53 7.47  ? 404 GOL   A O2   1 
HETATM 4456 O O2   B GOL   E 3 .   ? 3.405   5.959   -23.513 0.47 16.55 ? 404 GOL   A O2   1 
HETATM 4457 C C3   A GOL   E 3 .   ? 3.926   7.308   -22.789 0.53 8.64  ? 404 GOL   A C3   1 
HETATM 4458 C C3   B GOL   E 3 .   ? 4.850   7.628   -22.550 0.47 15.28 ? 404 GOL   A C3   1 
HETATM 4459 O O3   A GOL   E 3 .   ? 4.616   6.312   -23.623 0.53 7.45  ? 404 GOL   A O3   1 
HETATM 4460 O O3   B GOL   E 3 .   ? 5.507   7.520   -23.819 0.47 16.87 ? 404 GOL   A O3   1 
HETATM 4461 H H11  A GOL   E 3 .   ? 1.448   9.426   -23.338 0.53 8.58  ? 404 GOL   A H11  1 
HETATM 4462 H H11  B GOL   E 3 .   ? 2.702   8.957   -22.790 0.47 18.62 ? 404 GOL   A H11  1 
HETATM 4463 H H12  A GOL   E 3 .   ? 1.231   7.775   -22.798 0.53 8.58  ? 404 GOL   A H12  1 
HETATM 4464 H H12  B GOL   E 3 .   ? 1.580   7.814   -22.026 0.47 18.62 ? 404 GOL   A H12  1 
HETATM 4465 H HO1  A GOL   E 3 .   ? -0.143  8.290   -24.495 0.53 10.33 ? 404 GOL   A HO1  1 
HETATM 4466 H HO1  B GOL   E 3 .   ? 0.834   7.484   -23.989 0.47 15.68 ? 404 GOL   A HO1  1 
HETATM 4467 H H2   A GOL   E 3 .   ? 2.912   7.281   -24.406 0.53 8.75  ? 404 GOL   A H2   1 
HETATM 4468 H H2   B GOL   E 3 .   ? 3.321   6.524   -21.525 0.47 21.96 ? 404 GOL   A H2   1 
HETATM 4469 H HO2  A GOL   E 3 .   ? 4.811   8.472   -24.722 0.53 8.96  ? 404 GOL   A HO2  1 
HETATM 4470 H HO2  B GOL   E 3 .   ? 2.816   6.227   -24.229 0.47 19.86 ? 404 GOL   A HO2  1 
HETATM 4471 H H31  A GOL   E 3 .   ? 4.648   7.936   -22.265 0.53 10.37 ? 404 GOL   A H31  1 
HETATM 4472 H H31  B GOL   E 3 .   ? 4.741   8.681   -22.303 0.47 18.34 ? 404 GOL   A H31  1 
HETATM 4473 H H32  A GOL   E 3 .   ? 3.280   6.818   -22.059 0.53 10.37 ? 404 GOL   A H32  1 
HETATM 4474 H H32  B GOL   E 3 .   ? 5.479   7.174   -21.783 0.47 18.34 ? 404 GOL   A H32  1 
HETATM 4475 H HO3  A GOL   E 3 .   ? 4.061   5.526   -23.710 0.53 8.94  ? 404 GOL   A HO3  1 
HETATM 4476 H HO3  B GOL   E 3 .   ? 5.444   6.608   -24.131 0.47 20.24 ? 404 GOL   A HO3  1 
HETATM 4477 N N1   . EPE   F 4 .   ? 10.506  7.643   -45.627 0.80 18.44 ? 405 EPE   A N1   1 
HETATM 4478 C C2   . EPE   F 4 .   ? 10.989  8.618   -46.601 0.80 17.00 ? 405 EPE   A C2   1 
HETATM 4479 C C3   . EPE   F 4 .   ? 11.966  7.977   -47.569 0.80 16.76 ? 405 EPE   A C3   1 
HETATM 4480 N N4   . EPE   F 4 .   ? 11.426  6.790   -48.212 0.80 15.57 ? 405 EPE   A N4   1 
HETATM 4481 C C5   . EPE   F 4 .   ? 10.739  5.875   -47.319 0.80 15.88 ? 405 EPE   A C5   1 
HETATM 4482 C C6   . EPE   F 4 .   ? 9.786   6.591   -46.373 0.80 16.06 ? 405 EPE   A C6   1 
HETATM 4483 C C7   . EPE   F 4 .   ? 12.289  6.123   -49.173 0.80 14.61 ? 405 EPE   A C7   1 
HETATM 4484 C C8   . EPE   F 4 .   ? 12.825  6.993   -50.306 0.80 15.75 ? 405 EPE   A C8   1 
HETATM 4485 O O8   . EPE   F 4 .   ? 11.783  7.303   -51.191 0.80 12.68 ? 405 EPE   A O8   1 
HETATM 4486 C C9   . EPE   F 4 .   ? 9.573   8.395   -44.791 0.80 20.66 ? 405 EPE   A C9   1 
HETATM 4487 C C10  . EPE   F 4 .   ? 9.156   7.583   -43.580 0.80 22.85 ? 405 EPE   A C10  1 
HETATM 4488 S S    A EPE   F 4 .   ? 7.511   8.160   -43.127 0.48 26.15 ? 405 EPE   A S    1 
HETATM 4489 S S    B EPE   F 4 .   ? 7.935   8.460   -42.583 0.32 18.68 ? 405 EPE   A S    1 
HETATM 4490 O O1S  A EPE   F 4 .   ? 7.488   9.549   -43.515 0.48 12.06 ? 405 EPE   A O1S  1 
HETATM 4491 O O1S  B EPE   F 4 .   ? 7.099   9.245   -43.490 0.32 21.18 ? 405 EPE   A O1S  1 
HETATM 4492 O O2S  A EPE   F 4 .   ? 6.498   7.474   -43.933 0.48 27.29 ? 405 EPE   A O2S  1 
HETATM 4493 O O2S  B EPE   F 4 .   ? 7.145   7.520   -41.793 0.32 17.79 ? 405 EPE   A O2S  1 
HETATM 4494 O O3S  A EPE   F 4 .   ? 7.267   7.964   -41.696 0.48 27.69 ? 405 EPE   A O3S  1 
HETATM 4495 O O3S  B EPE   F 4 .   ? 8.706   9.369   -41.737 0.32 22.29 ? 405 EPE   A O3S  1 
HETATM 4496 H H21  . EPE   F 4 .   ? 11.479  9.441   -46.080 0.80 20.40 ? 405 EPE   A H21  1 
HETATM 4497 H H22  . EPE   F 4 .   ? 10.144  9.028   -47.155 0.80 20.40 ? 405 EPE   A H22  1 
HETATM 4498 H H31  . EPE   F 4 .   ? 12.236  8.704   -48.335 0.80 20.11 ? 405 EPE   A H31  1 
HETATM 4499 H H32  . EPE   F 4 .   ? 12.874  7.707   -47.029 0.80 20.11 ? 405 EPE   A H32  1 
HETATM 4500 H H51  . EPE   F 4 .   ? 10.177  5.153   -47.911 0.80 19.05 ? 405 EPE   A H51  1 
HETATM 4501 H H52  . EPE   F 4 .   ? 11.477  5.327   -46.733 0.80 19.05 ? 405 EPE   A H52  1 
HETATM 4502 H H61  . EPE   F 4 .   ? 9.355   5.875   -45.675 0.80 19.27 ? 405 EPE   A H61  1 
HETATM 4503 H H62  . EPE   F 4 .   ? 8.971   7.038   -46.942 0.80 19.27 ? 405 EPE   A H62  1 
HETATM 4504 H H71  . EPE   F 4 .   ? 13.139  5.705   -48.634 0.80 17.53 ? 405 EPE   A H71  1 
HETATM 4505 H H72  . EPE   F 4 .   ? 11.732  5.295   -49.613 0.80 17.53 ? 405 EPE   A H72  1 
HETATM 4506 H H81  . EPE   F 4 .   ? 13.250  7.910   -49.899 0.80 18.90 ? 405 EPE   A H81  1 
HETATM 4507 H H82  . EPE   F 4 .   ? 13.616  6.464   -50.837 0.80 18.90 ? 405 EPE   A H82  1 
HETATM 4508 H HO8  . EPE   F 4 .   ? 10.960  6.861   -50.895 0.80 15.21 ? 405 EPE   A HO8  1 
HETATM 4509 H H91  . EPE   F 4 .   ? 8.690   8.656   -45.375 0.80 24.79 ? 405 EPE   A H91  1 
HETATM 4510 H H92  . EPE   F 4 .   ? 10.043  9.321   -44.463 0.80 24.79 ? 405 EPE   A H92  1 
HETATM 4511 H H101 . EPE   F 4 .   ? 9.139   6.519   -43.818 0.80 27.42 ? 405 EPE   A H101 1 
HETATM 4512 H H102 . EPE   F 4 .   ? 9.856   7.731   -42.758 0.80 27.42 ? 405 EPE   A H102 1 
HETATM 4513 O O    . HOH   G 5 .   ? -15.041 2.143   -0.582  0.66 15.45 ? 501 HOH   A O    1 
HETATM 4514 O O    . HOH   G 5 .   ? -11.963 -5.292  -40.080 0.58 16.10 ? 502 HOH   A O    1 
HETATM 4515 O O    A HOH   G 5 .   ? 0.529   8.323   -26.302 0.50 8.46  ? 503 HOH   A O    1 
HETATM 4516 O O    B HOH   G 5 .   ? 1.387   7.674   -26.419 0.50 19.59 ? 503 HOH   A O    1 
HETATM 4517 O O    . HOH   G 5 .   ? -14.511 2.094   -7.533  0.60 20.59 ? 504 HOH   A O    1 
HETATM 4518 O O    . HOH   G 5 .   ? -2.879  -3.645  -41.747 1.00 52.01 ? 505 HOH   A O    1 
HETATM 4519 O O    . HOH   G 5 .   ? -15.014 4.974   -10.460 1.00 40.30 ? 506 HOH   A O    1 
HETATM 4520 O O    . HOH   G 5 .   ? 2.883   16.087  -32.224 1.00 50.07 ? 507 HOH   A O    1 
HETATM 4521 O O    . HOH   G 5 .   ? -17.376 5.438   -29.323 0.71 10.04 ? 508 HOH   A O    1 
HETATM 4522 O O    . HOH   G 5 .   ? -9.470  23.239  -30.886 1.00 45.73 ? 509 HOH   A O    1 
HETATM 4523 O O    . HOH   G 5 .   ? -10.599 -14.922 -28.235 1.00 7.99  ? 510 HOH   A O    1 
HETATM 4524 O O    . HOH   G 5 .   ? -18.550 11.841  -34.431 1.00 13.69 ? 511 HOH   A O    1 
HETATM 4525 O O    . HOH   G 5 .   ? 1.553   20.827  -28.866 1.00 32.87 ? 512 HOH   A O    1 
HETATM 4526 O O    . HOH   G 5 .   ? 2.655   -3.184  -41.061 1.00 29.98 ? 513 HOH   A O    1 
HETATM 4527 O O    . HOH   G 5 .   ? 2.021   -9.701  -42.775 0.75 8.96  ? 514 HOH   A O    1 
HETATM 4528 O O    . HOH   G 5 .   ? -7.003  -14.856 -32.139 1.00 21.27 ? 515 HOH   A O    1 
HETATM 4529 O O    . HOH   G 5 .   ? 3.770   16.972  -7.240  1.00 27.90 ? 516 HOH   A O    1 
HETATM 4530 O O    . HOH   G 5 .   ? -29.266 9.913   -30.202 1.00 8.83  ? 517 HOH   A O    1 
HETATM 4531 O O    A HOH   G 5 .   ? 1.319   2.861   -1.083  0.52 22.70 ? 518 HOH   A O    1 
HETATM 4532 O O    B HOH   G 5 .   ? 1.304   2.000   0.365   0.48 27.83 ? 518 HOH   A O    1 
HETATM 4533 O O    . HOH   G 5 .   ? -21.212 3.057   -15.968 1.00 42.65 ? 519 HOH   A O    1 
HETATM 4534 O O    . HOH   G 5 .   ? -21.130 6.505   -15.619 1.00 27.53 ? 520 HOH   A O    1 
HETATM 4535 O O    . HOH   G 5 .   ? -14.550 2.818   -10.238 1.00 28.66 ? 521 HOH   A O    1 
HETATM 4536 O O    A HOH   G 5 .   ? -17.855 4.510   -0.642  0.55 22.42 ? 522 HOH   A O    1 
HETATM 4537 O O    B HOH   G 5 .   ? -17.264 3.449   -0.005  0.45 29.71 ? 522 HOH   A O    1 
HETATM 4538 O O    . HOH   G 5 .   ? -10.959 -5.608  -18.095 1.00 22.25 ? 523 HOH   A O    1 
HETATM 4539 O O    . HOH   G 5 .   ? -1.496  24.297  -14.930 0.66 15.96 ? 524 HOH   A O    1 
HETATM 4540 O O    . HOH   G 5 .   ? -6.915  25.499  -27.791 1.00 15.55 ? 525 HOH   A O    1 
HETATM 4541 O O    A HOH   G 5 .   ? -17.601 21.136  -15.055 0.52 26.47 ? 526 HOH   A O    1 
HETATM 4542 O O    B HOH   G 5 .   ? -18.708 20.030  -15.937 0.48 29.50 ? 526 HOH   A O    1 
HETATM 4543 O O    . HOH   G 5 .   ? 7.598   8.917   -24.550 1.00 11.30 ? 527 HOH   A O    1 
HETATM 4544 O O    . HOH   G 5 .   ? 5.746   -2.804  -31.679 1.00 9.46  ? 528 HOH   A O    1 
HETATM 4545 O O    . HOH   G 5 .   ? -17.972 14.586  -37.278 1.00 21.28 ? 529 HOH   A O    1 
HETATM 4546 O O    . HOH   G 5 .   ? -1.873  26.718  -16.765 1.00 29.91 ? 530 HOH   A O    1 
HETATM 4547 O O    . HOH   G 5 .   ? -20.862 12.885  -11.136 1.00 20.64 ? 531 HOH   A O    1 
HETATM 4548 O O    . HOH   G 5 .   ? -9.480  -4.444  -38.883 1.00 9.12  ? 532 HOH   A O    1 
HETATM 4549 O O    . HOH   G 5 .   ? -10.341 5.049   -43.901 1.00 20.43 ? 533 HOH   A O    1 
HETATM 4550 O O    . HOH   G 5 .   ? -13.384 -9.446  -33.150 1.00 17.14 ? 534 HOH   A O    1 
HETATM 4551 O O    A HOH   G 5 .   ? -18.779 7.104   1.108   0.56 11.38 ? 535 HOH   A O    1 
HETATM 4552 O O    B HOH   G 5 .   ? -18.415 7.540   2.161   0.44 8.24  ? 535 HOH   A O    1 
HETATM 4553 O O    . HOH   G 5 .   ? -14.268 -9.649  -35.893 1.00 43.28 ? 536 HOH   A O    1 
HETATM 4554 O O    . HOH   G 5 .   ? 13.315  17.517  -26.039 1.00 49.41 ? 537 HOH   A O    1 
HETATM 4555 O O    . HOH   G 5 .   ? 0.728   2.913   -3.662  1.00 13.89 ? 538 HOH   A O    1 
HETATM 4556 O O    . HOH   G 5 .   ? 1.584   5.812   -19.643 1.00 9.09  ? 539 HOH   A O    1 
HETATM 4557 O O    . HOH   G 5 .   ? -16.219 4.789   -17.080 1.00 23.32 ? 540 HOH   A O    1 
HETATM 4558 O O    . HOH   G 5 .   ? -5.793  4.498   -42.511 1.00 6.57  ? 541 HOH   A O    1 
HETATM 4559 O O    . HOH   G 5 .   ? -19.258 -4.816  -38.670 1.00 14.87 ? 542 HOH   A O    1 
HETATM 4560 O O    . HOH   G 5 .   ? -24.369 -1.999  -31.204 0.52 8.75  ? 543 HOH   A O    1 
HETATM 4561 O O    . HOH   G 5 .   ? -10.258 20.443  -7.628  1.00 26.78 ? 544 HOH   A O    1 
HETATM 4562 O O    . HOH   G 5 .   ? -9.261  18.621  1.954   1.00 18.35 ? 545 HOH   A O    1 
HETATM 4563 O O    . HOH   G 5 .   ? 0.605   22.743  -33.346 1.00 22.86 ? 546 HOH   A O    1 
HETATM 4564 O O    . HOH   G 5 .   ? -7.641  21.343  -27.101 1.00 8.44  ? 547 HOH   A O    1 
HETATM 4565 O O    . HOH   G 5 .   ? -3.812  27.831  -25.824 1.00 8.60  ? 548 HOH   A O    1 
HETATM 4566 O O    . HOH   G 5 .   ? -12.362 24.927  -28.342 1.00 13.54 ? 549 HOH   A O    1 
HETATM 4567 O O    . HOH   G 5 .   ? -13.070 -2.872  -41.378 1.00 23.27 ? 550 HOH   A O    1 
HETATM 4568 O O    . HOH   G 5 .   ? -22.170 -0.538  -43.622 1.00 15.82 ? 551 HOH   A O    1 
HETATM 4569 O O    . HOH   G 5 .   ? 4.991   -12.040 -26.594 1.00 22.88 ? 552 HOH   A O    1 
HETATM 4570 O O    . HOH   G 5 .   ? 9.522   18.271  -23.956 1.00 16.62 ? 553 HOH   A O    1 
HETATM 4571 O O    . HOH   G 5 .   ? -0.201  -12.432 -23.202 1.00 12.77 ? 554 HOH   A O    1 
HETATM 4572 O O    . HOH   G 5 .   ? -12.236 6.579   -42.786 1.00 13.03 ? 555 HOH   A O    1 
HETATM 4573 O O    . HOH   G 5 .   ? 2.686   0.210   -22.439 1.00 7.12  ? 556 HOH   A O    1 
HETATM 4574 O O    . HOH   G 5 .   ? -12.545 21.911  -10.493 1.00 25.25 ? 557 HOH   A O    1 
HETATM 4575 O O    . HOH   G 5 .   ? 3.862   21.244  -16.299 1.00 9.14  ? 558 HOH   A O    1 
HETATM 4576 O O    . HOH   G 5 .   ? -19.277 17.176  -16.564 1.00 21.81 ? 559 HOH   A O    1 
HETATM 4577 O O    . HOH   G 5 .   ? -19.642 -6.222  -34.178 1.00 12.24 ? 560 HOH   A O    1 
HETATM 4578 O O    . HOH   G 5 .   ? -26.157 6.506   -23.381 1.00 11.68 ? 561 HOH   A O    1 
HETATM 4579 O O    . HOH   G 5 .   ? -4.151  -3.258  -0.928  1.00 36.66 ? 562 HOH   A O    1 
HETATM 4580 O O    . HOH   G 5 .   ? -14.803 22.534  -25.756 1.00 16.79 ? 563 HOH   A O    1 
HETATM 4581 O O    . HOH   G 5 .   ? -16.241 -6.589  -30.457 1.00 12.72 ? 564 HOH   A O    1 
HETATM 4582 O O    . HOH   G 5 .   ? -13.287 10.427  -44.461 1.00 19.40 ? 565 HOH   A O    1 
HETATM 4583 O O    A HOH   G 5 .   ? 7.434   10.551  -40.888 0.79 12.19 ? 566 HOH   A O    1 
HETATM 4584 O O    B HOH   G 5 .   ? 7.742   11.048  -39.682 0.21 17.40 ? 566 HOH   A O    1 
HETATM 4585 O O    . HOH   G 5 .   ? -4.750  12.624  -39.106 1.00 6.22  ? 567 HOH   A O    1 
HETATM 4586 O O    . HOH   G 5 .   ? 3.647   4.402   -10.717 1.00 18.65 ? 568 HOH   A O    1 
HETATM 4587 O O    A HOH   G 5 .   ? 6.812   -4.913  -25.127 0.46 6.56  ? 569 HOH   A O    1 
HETATM 4588 O O    B HOH   G 5 .   ? 8.585   -5.813  -25.392 0.54 27.16 ? 569 HOH   A O    1 
HETATM 4589 O O    . HOH   G 5 .   ? -19.238 10.984  -19.575 1.00 11.95 ? 570 HOH   A O    1 
HETATM 4590 O O    . HOH   G 5 .   ? -22.689 -3.831  -41.150 1.00 15.80 ? 571 HOH   A O    1 
HETATM 4591 O O    A HOH   G 5 .   ? -10.457 17.473  -34.703 0.54 14.68 ? 572 HOH   A O    1 
HETATM 4592 O O    B HOH   G 5 .   ? -11.744 16.552  -35.791 0.46 20.05 ? 572 HOH   A O    1 
HETATM 4593 O O    . HOH   G 5 .   ? -13.033 22.714  -19.809 1.00 20.48 ? 573 HOH   A O    1 
HETATM 4594 O O    A HOH   G 5 .   ? 5.121   -7.120  -25.259 0.62 6.63  ? 574 HOH   A O    1 
HETATM 4595 O O    B HOH   G 5 .   ? 4.666   -5.568  -25.170 0.38 11.92 ? 574 HOH   A O    1 
HETATM 4596 O O    . HOH   G 5 .   ? 4.497   7.819   -12.791 1.00 13.78 ? 575 HOH   A O    1 
HETATM 4597 O O    . HOH   G 5 .   ? -9.366  25.147  -26.660 1.00 14.95 ? 576 HOH   A O    1 
HETATM 4598 O O    . HOH   G 5 .   ? -23.343 -6.622  -22.019 1.00 50.60 ? 577 HOH   A O    1 
HETATM 4599 O O    . HOH   G 5 .   ? 0.103   -0.505  -41.553 1.00 26.20 ? 578 HOH   A O    1 
HETATM 4600 O O    . HOH   G 5 .   ? -20.986 12.543  -23.511 1.00 16.84 ? 579 HOH   A O    1 
HETATM 4601 O O    A HOH   G 5 .   ? 6.978   -0.195  -28.781 0.65 5.83  ? 580 HOH   A O    1 
HETATM 4602 O O    B HOH   G 5 .   ? 6.926   0.373   -29.946 0.35 14.17 ? 580 HOH   A O    1 
HETATM 4603 O O    . HOH   G 5 .   ? -13.204 4.707   -7.193  1.00 9.81  ? 581 HOH   A O    1 
HETATM 4604 O O    . HOH   G 5 .   ? -10.428 15.601  -21.884 1.00 4.73  ? 582 HOH   A O    1 
HETATM 4605 O O    . HOH   G 5 .   ? -2.307  -2.105  -39.768 1.00 9.23  ? 583 HOH   A O    1 
HETATM 4606 O O    . HOH   G 5 .   ? -15.354 -4.826  -23.481 1.00 5.99  ? 584 HOH   A O    1 
HETATM 4607 O O    A HOH   G 5 .   ? -8.753  6.745   7.828   0.57 15.94 ? 585 HOH   A O    1 
HETATM 4608 O O    B HOH   G 5 .   ? -9.962  6.115   7.948   0.43 21.42 ? 585 HOH   A O    1 
HETATM 4609 O O    . HOH   G 5 .   ? -0.531  -5.570  -20.672 1.00 14.13 ? 586 HOH   A O    1 
HETATM 4610 O O    . HOH   G 5 .   ? -4.682  27.077  -23.179 1.00 9.17  ? 587 HOH   A O    1 
HETATM 4611 O O    . HOH   G 5 .   ? 5.279   -0.450  -37.473 1.00 14.97 ? 588 HOH   A O    1 
HETATM 4612 O O    . HOH   G 5 .   ? -1.284  9.774   3.500   1.00 6.87  ? 589 HOH   A O    1 
HETATM 4613 O O    . HOH   G 5 .   ? -12.033 16.791  -4.687  1.00 8.43  ? 590 HOH   A O    1 
HETATM 4614 O O    . HOH   G 5 .   ? -14.647 17.190  -4.847  1.00 12.70 ? 591 HOH   A O    1 
HETATM 4615 O O    . HOH   G 5 .   ? 7.192   15.824  -17.532 1.00 13.84 ? 592 HOH   A O    1 
HETATM 4616 O O    . HOH   G 5 .   ? -19.119 0.297   -19.562 1.00 15.59 ? 593 HOH   A O    1 
HETATM 4617 O O    . HOH   G 5 .   ? -1.105  12.552  -35.040 1.00 19.57 ? 594 HOH   A O    1 
HETATM 4618 O O    . HOH   G 5 .   ? -3.729  16.319  -0.278  1.00 23.44 ? 595 HOH   A O    1 
HETATM 4619 O O    A HOH   G 5 .   ? 7.429   -4.308  -33.312 0.74 7.66  ? 596 HOH   A O    1 
HETATM 4620 O O    B HOH   G 5 .   ? 7.734   -3.020  -33.705 0.26 12.11 ? 596 HOH   A O    1 
HETATM 4621 O O    A HOH   G 5 .   ? 5.896   9.677   -18.847 0.59 7.59  ? 597 HOH   A O    1 
HETATM 4622 O O    B HOH   G 5 .   ? 6.118   9.519   -17.402 0.41 16.11 ? 597 HOH   A O    1 
HETATM 4623 O O    . HOH   G 5 .   ? -16.557 12.747  -44.675 1.00 25.37 ? 598 HOH   A O    1 
HETATM 4624 O O    A HOH   G 5 .   ? 1.490   9.405   -27.061 0.43 5.70  ? 599 HOH   A O    1 
HETATM 4625 O O    B HOH   G 5 .   ? 1.392   10.270  -28.069 0.57 16.37 ? 599 HOH   A O    1 
HETATM 4626 O O    . HOH   G 5 .   ? -6.813  -1.454  -7.372  1.00 23.14 ? 600 HOH   A O    1 
HETATM 4627 O O    . HOH   G 5 .   ? 5.736   12.398  -27.040 1.00 15.11 ? 601 HOH   A O    1 
HETATM 4628 O O    . HOH   G 5 .   ? -23.435 9.214   -24.147 1.00 19.04 ? 602 HOH   A O    1 
HETATM 4629 O O    A HOH   G 5 .   ? 2.096   -2.393  -30.205 0.75 7.02  ? 603 HOH   A O    1 
HETATM 4630 O O    B HOH   G 5 .   ? 1.414   -2.598  -31.411 0.25 11.87 ? 603 HOH   A O    1 
HETATM 4631 O O    . HOH   G 5 .   ? -16.026 21.375  -23.623 1.00 16.61 ? 604 HOH   A O    1 
HETATM 4632 O O    . HOH   G 5 .   ? -18.090 5.759   -31.608 1.00 19.32 ? 605 HOH   A O    1 
HETATM 4633 O O    . HOH   G 5 .   ? -5.517  19.046  -3.946  1.00 14.78 ? 606 HOH   A O    1 
HETATM 4634 O O    . HOH   G 5 .   ? -10.963 -1.420  -19.201 1.00 9.29  ? 607 HOH   A O    1 
HETATM 4635 O O    . HOH   G 5 .   ? -25.381 8.867   -27.166 1.00 10.41 ? 608 HOH   A O    1 
HETATM 4636 O O    . HOH   G 5 .   ? -0.848  11.761  -10.671 1.00 6.13  ? 609 HOH   A O    1 
HETATM 4637 O O    A HOH   G 5 .   ? -13.272 14.343  -36.524 0.77 7.20  ? 610 HOH   A O    1 
HETATM 4638 O O    B HOH   G 5 .   ? -13.248 15.791  -36.820 0.23 6.13  ? 610 HOH   A O    1 
HETATM 4639 O O    . HOH   G 5 .   ? 7.329   9.929   -36.901 1.00 30.68 ? 611 HOH   A O    1 
HETATM 4640 O O    A HOH   G 5 .   ? -25.397 -1.090  -34.008 0.55 15.74 ? 612 HOH   A O    1 
HETATM 4641 O O    B HOH   G 5 .   ? -25.979 0.451   -34.727 0.45 15.88 ? 612 HOH   A O    1 
HETATM 4642 O O    . HOH   G 5 .   ? -14.494 -0.183  2.873   1.00 39.08 ? 613 HOH   A O    1 
HETATM 4643 O O    . HOH   G 5 .   ? -15.480 22.064  -12.754 1.00 32.64 ? 614 HOH   A O    1 
HETATM 4644 O O    . HOH   G 5 .   ? -10.480 -5.211  -29.414 1.00 5.97  ? 615 HOH   A O    1 
HETATM 4645 O O    . HOH   G 5 .   ? 1.041   14.814  -4.836  1.00 10.12 ? 616 HOH   A O    1 
HETATM 4646 O O    . HOH   G 5 .   ? -10.734 -1.903  -3.268  1.00 34.33 ? 617 HOH   A O    1 
HETATM 4647 O O    . HOH   G 5 .   ? -8.401  3.499   -42.652 1.00 8.19  ? 618 HOH   A O    1 
HETATM 4648 O O    . HOH   G 5 .   ? 1.803   21.595  -21.675 1.00 7.79  ? 619 HOH   A O    1 
HETATM 4649 O O    . HOH   G 5 .   ? 0.703   -2.275  -16.161 1.00 24.11 ? 620 HOH   A O    1 
HETATM 4650 O O    . HOH   G 5 .   ? -3.906  13.212  5.237   1.00 12.79 ? 621 HOH   A O    1 
HETATM 4651 O O    . HOH   G 5 .   ? -13.277 -7.688  -17.953 1.00 49.25 ? 622 HOH   A O    1 
HETATM 4652 O O    . HOH   G 5 .   ? -11.299 1.975   -35.311 1.00 4.76  ? 623 HOH   A O    1 
HETATM 4653 O O    . HOH   G 5 .   ? 5.740   10.619  -23.596 1.00 10.11 ? 624 HOH   A O    1 
HETATM 4654 O O    . HOH   G 5 .   ? -3.393  -13.549 -37.896 1.00 16.70 ? 625 HOH   A O    1 
HETATM 4655 O O    . HOH   G 5 .   ? -16.957 7.728   -16.751 1.00 12.72 ? 626 HOH   A O    1 
HETATM 4656 O O    . HOH   G 5 .   ? -16.705 2.048   -13.661 1.00 50.35 ? 627 HOH   A O    1 
HETATM 4657 O O    . HOH   G 5 .   ? 2.930   25.286  -22.032 1.00 14.79 ? 628 HOH   A O    1 
HETATM 4658 O O    . HOH   G 5 .   ? -10.788 -9.240  -32.363 1.00 13.29 ? 629 HOH   A O    1 
HETATM 4659 O O    . HOH   G 5 .   ? -17.483 -0.623  -21.533 1.00 10.88 ? 630 HOH   A O    1 
HETATM 4660 O O    . HOH   G 5 .   ? 6.377   -5.385  -21.152 1.00 12.62 ? 631 HOH   A O    1 
HETATM 4661 O O    . HOH   G 5 .   ? -15.253 2.623   -18.668 1.00 6.35  ? 632 HOH   A O    1 
HETATM 4662 O O    . HOH   G 5 .   ? 1.150   13.506  -36.382 1.00 20.41 ? 633 HOH   A O    1 
HETATM 4663 O O    . HOH   G 5 .   ? 6.255   -3.289  -40.968 1.00 11.70 ? 634 HOH   A O    1 
HETATM 4664 O O    . HOH   G 5 .   ? -12.146 -3.410  0.503   1.00 40.57 ? 635 HOH   A O    1 
HETATM 4665 O O    . HOH   G 5 .   ? -9.969  19.325  -1.110  1.00 19.24 ? 636 HOH   A O    1 
HETATM 4666 O O    . HOH   G 5 .   ? -3.877  11.225  1.557   1.00 8.02  ? 637 HOH   A O    1 
HETATM 4667 O O    . HOH   G 5 .   ? -10.233 -0.635  -5.619  1.00 22.97 ? 638 HOH   A O    1 
HETATM 4668 O O    . HOH   G 5 .   ? -13.821 18.499  -11.370 1.00 12.10 ? 639 HOH   A O    1 
HETATM 4669 O O    . HOH   G 5 .   ? 1.742   6.838   -28.470 1.00 8.89  ? 640 HOH   A O    1 
HETATM 4670 O O    . HOH   G 5 .   ? 0.385   10.032  -37.925 1.00 13.41 ? 641 HOH   A O    1 
HETATM 4671 O O    . HOH   G 5 .   ? -9.805  15.072  4.184   1.00 14.58 ? 642 HOH   A O    1 
HETATM 4672 O O    . HOH   G 5 .   ? -18.057 13.292  -32.203 1.00 15.84 ? 643 HOH   A O    1 
HETATM 4673 O O    . HOH   G 5 .   ? -14.050 3.336   2.145   1.00 18.85 ? 644 HOH   A O    1 
HETATM 4674 O O    . HOH   G 5 .   ? -9.205  -1.743  -39.556 1.00 6.70  ? 645 HOH   A O    1 
HETATM 4675 O O    . HOH   G 5 .   ? -2.630  21.023  -27.543 1.00 9.85  ? 646 HOH   A O    1 
HETATM 4676 O O    . HOH   G 5 .   ? -11.900 1.622   -12.951 1.00 12.18 ? 647 HOH   A O    1 
HETATM 4677 O O    . HOH   G 5 .   ? -7.976  19.327  -8.270  1.00 12.61 ? 648 HOH   A O    1 
HETATM 4678 O O    . HOH   G 5 .   ? 4.369   3.916   -16.617 1.00 25.43 ? 649 HOH   A O    1 
HETATM 4679 O O    . HOH   G 5 .   ? 1.947   11.605  -32.734 1.00 11.90 ? 650 HOH   A O    1 
HETATM 4680 O O    A HOH   G 5 .   ? -3.367  15.379  2.041   0.51 30.10 ? 651 HOH   A O    1 
HETATM 4681 O O    B HOH   G 5 .   ? -2.719  14.925  1.233   0.49 31.84 ? 651 HOH   A O    1 
HETATM 4682 O O    . HOH   G 5 .   ? -3.009  -9.540  -20.601 1.00 15.66 ? 652 HOH   A O    1 
HETATM 4683 O O    . HOH   G 5 .   ? -18.221 -0.296  -43.312 1.00 31.88 ? 653 HOH   A O    1 
HETATM 4684 O O    . HOH   G 5 .   ? -5.976  -3.062  -5.489  1.00 33.96 ? 654 HOH   A O    1 
HETATM 4685 O O    . HOH   G 5 .   ? -18.321 17.285  -30.046 1.00 16.16 ? 655 HOH   A O    1 
HETATM 4686 O O    . HOH   G 5 .   ? -6.900  18.290  -14.183 1.00 6.37  ? 656 HOH   A O    1 
HETATM 4687 O O    . HOH   G 5 .   ? -5.118  -4.078  -13.691 1.00 29.99 ? 657 HOH   A O    1 
HETATM 4688 O O    . HOH   G 5 .   ? -15.873 11.234  0.149   1.00 6.68  ? 658 HOH   A O    1 
HETATM 4689 O O    . HOH   G 5 .   ? -20.326 2.916   -41.757 1.00 20.88 ? 659 HOH   A O    1 
HETATM 4690 O O    . HOH   G 5 .   ? 4.942   27.359  -19.589 1.00 23.53 ? 660 HOH   A O    1 
HETATM 4691 O O    . HOH   G 5 .   ? -14.269 -0.624  -16.784 1.00 54.49 ? 661 HOH   A O    1 
HETATM 4692 O O    A HOH   G 5 .   ? 1.860   3.349   -13.201 0.73 24.77 ? 662 HOH   A O    1 
HETATM 4693 O O    B HOH   G 5 .   ? 1.628   2.517   -11.412 0.27 28.63 ? 662 HOH   A O    1 
HETATM 4694 O O    A HOH   G 5 .   ? -24.988 1.841   -30.953 0.83 24.85 ? 663 HOH   A O    1 
HETATM 4695 O O    B HOH   G 5 .   ? -24.912 0.328   -30.957 0.17 19.72 ? 663 HOH   A O    1 
HETATM 4696 O O    . HOH   G 5 .   ? -4.039  18.201  -36.950 1.00 36.78 ? 664 HOH   A O    1 
HETATM 4697 O O    . HOH   G 5 .   ? 4.026   0.745   -33.139 1.00 21.35 ? 665 HOH   A O    1 
HETATM 4698 O O    . HOH   G 5 .   ? -2.295  -0.324  -4.410  1.00 34.42 ? 666 HOH   A O    1 
HETATM 4699 O O    . HOH   G 5 .   ? -17.096 6.460   -41.519 1.00 17.44 ? 667 HOH   A O    1 
HETATM 4700 O O    . HOH   G 5 .   ? -18.806 6.280   -3.857  1.00 17.05 ? 668 HOH   A O    1 
HETATM 4701 O O    . HOH   G 5 .   ? 0.087   -4.992  -17.363 1.00 23.28 ? 669 HOH   A O    1 
HETATM 4702 O O    . HOH   G 5 .   ? -9.633  10.439  7.723   1.00 9.29  ? 670 HOH   A O    1 
HETATM 4703 O O    . HOH   G 5 .   ? 9.160   18.076  -26.773 1.00 24.35 ? 671 HOH   A O    1 
HETATM 4704 O O    . HOH   G 5 .   ? -14.153 -1.125  -18.947 1.00 18.82 ? 672 HOH   A O    1 
HETATM 4705 O O    A HOH   G 5 .   ? -5.001  -1.243  -10.426 0.53 16.59 ? 673 HOH   A O    1 
HETATM 4706 O O    B HOH   G 5 .   ? -5.237  -1.772  -11.527 0.47 18.72 ? 673 HOH   A O    1 
HETATM 4707 O O    . HOH   G 5 .   ? 1.147   -7.535  -41.460 1.00 12.61 ? 674 HOH   A O    1 
HETATM 4708 O O    . HOH   G 5 .   ? -18.095 12.414  -23.220 1.00 13.16 ? 675 HOH   A O    1 
HETATM 4709 O O    . HOH   G 5 .   ? -12.930 -1.426  -1.317  1.00 32.81 ? 676 HOH   A O    1 
HETATM 4710 O O    . HOH   G 5 .   ? -6.047  14.631  4.384   1.00 12.30 ? 677 HOH   A O    1 
HETATM 4711 O O    . HOH   G 5 .   ? -21.383 8.181   -7.966  1.00 22.44 ? 678 HOH   A O    1 
HETATM 4712 O O    . HOH   G 5 .   ? 4.560   10.624  -21.048 1.00 7.81  ? 679 HOH   A O    1 
HETATM 4713 O O    . HOH   G 5 .   ? 9.820   -8.075  -30.491 1.00 25.81 ? 680 HOH   A O    1 
HETATM 4714 O O    . HOH   G 5 .   ? -23.367 8.265   -19.476 1.00 18.30 ? 681 HOH   A O    1 
HETATM 4715 O O    . HOH   G 5 .   ? -8.099  -8.969  -21.786 1.00 20.05 ? 682 HOH   A O    1 
HETATM 4716 O O    . HOH   G 5 .   ? -20.088 -7.432  -28.844 1.00 27.98 ? 683 HOH   A O    1 
HETATM 4717 O O    . HOH   G 5 .   ? -14.832 17.783  -20.957 1.00 12.95 ? 684 HOH   A O    1 
HETATM 4718 O O    . HOH   G 5 .   ? 6.203   1.766   -32.563 1.00 36.45 ? 685 HOH   A O    1 
HETATM 4719 O O    . HOH   G 5 .   ? -3.466  13.733  -36.787 1.00 11.87 ? 686 HOH   A O    1 
HETATM 4720 O O    A HOH   G 5 .   ? 3.900   2.539   -36.379 0.69 9.82  ? 687 HOH   A O    1 
HETATM 4721 O O    B HOH   G 5 .   ? 4.695   4.218   -36.650 0.31 13.05 ? 687 HOH   A O    1 
HETATM 4722 O O    . HOH   G 5 .   ? -9.163  -7.196  -41.556 1.00 16.14 ? 688 HOH   A O    1 
HETATM 4723 O O    . HOH   G 5 .   ? -17.093 -8.169  -24.643 1.00 39.63 ? 689 HOH   A O    1 
HETATM 4724 O O    . HOH   G 5 .   ? 3.647   15.367  -11.378 1.00 13.07 ? 690 HOH   A O    1 
HETATM 4725 O O    . HOH   G 5 .   ? -17.724 4.399   -7.251  1.00 29.69 ? 691 HOH   A O    1 
HETATM 4726 O O    . HOH   G 5 .   ? -22.378 -6.614  -34.394 1.00 9.20  ? 692 HOH   A O    1 
HETATM 4727 O O    . HOH   G 5 .   ? -26.658 -3.887  -36.041 1.00 6.80  ? 693 HOH   A O    1 
HETATM 4728 O O    . HOH   G 5 .   ? -17.842 18.957  -13.259 1.00 15.32 ? 694 HOH   A O    1 
HETATM 4729 O O    . HOH   G 5 .   ? -14.031 2.745   -42.047 1.00 11.87 ? 695 HOH   A O    1 
HETATM 4730 O O    . HOH   G 5 .   ? -22.502 9.809   -21.580 1.00 14.94 ? 696 HOH   A O    1 
HETATM 4731 O O    . HOH   G 5 .   ? -1.448  -15.303 -37.112 1.00 14.28 ? 697 HOH   A O    1 
HETATM 4732 O O    . HOH   G 5 .   ? 4.833   9.574   -14.835 1.00 8.48  ? 698 HOH   A O    1 
HETATM 4733 O O    . HOH   G 5 .   ? 8.558   -11.454 -32.405 1.00 20.99 ? 699 HOH   A O    1 
HETATM 4734 O O    . HOH   G 5 .   ? -16.298 20.113  -7.313  1.00 38.34 ? 700 HOH   A O    1 
HETATM 4735 O O    . HOH   G 5 .   ? -20.678 14.979  -12.950 1.00 20.25 ? 701 HOH   A O    1 
HETATM 4736 O O    . HOH   G 5 .   ? -8.937  24.406  -13.855 1.00 26.07 ? 702 HOH   A O    1 
HETATM 4737 O O    . HOH   G 5 .   ? -24.837 -5.632  -19.328 1.00 30.61 ? 703 HOH   A O    1 
HETATM 4738 O O    . HOH   G 5 .   ? -24.864 3.999   -16.653 1.00 18.95 ? 704 HOH   A O    1 
HETATM 4739 O O    . HOH   G 5 .   ? -16.804 15.690  -31.920 1.00 8.02  ? 705 HOH   A O    1 
HETATM 4740 O O    . HOH   G 5 .   ? -9.870  5.395   -46.543 1.00 27.28 ? 706 HOH   A O    1 
HETATM 4741 O O    . HOH   G 5 .   ? -25.747 4.053   -32.719 1.00 15.74 ? 707 HOH   A O    1 
HETATM 4742 O O    . HOH   G 5 .   ? -23.274 4.713   -18.773 1.00 18.69 ? 708 HOH   A O    1 
HETATM 4743 O O    . HOH   G 5 .   ? -5.550  -2.208  3.196   1.00 17.90 ? 709 HOH   A O    1 
HETATM 4744 O O    . HOH   G 5 .   ? 6.775   -8.366  -38.003 1.00 7.32  ? 710 HOH   A O    1 
HETATM 4745 O O    . HOH   G 5 .   ? 8.976   -8.595  -26.561 1.00 39.31 ? 711 HOH   A O    1 
HETATM 4746 O O    . HOH   G 5 .   ? -14.236 -12.805 -25.843 1.00 23.25 ? 712 HOH   A O    1 
HETATM 4747 O O    . HOH   G 5 .   ? -6.009  20.707  -31.679 1.00 27.41 ? 713 HOH   A O    1 
HETATM 4748 O O    . HOH   G 5 .   ? 0.604   0.714   -14.997 1.00 32.01 ? 714 HOH   A O    1 
HETATM 4749 O O    A HOH   G 5 .   ? -13.548 15.366  -39.271 0.55 12.84 ? 715 HOH   A O    1 
HETATM 4750 O O    B HOH   G 5 .   ? -13.978 15.854  -38.407 0.45 22.13 ? 715 HOH   A O    1 
HETATM 4751 O O    . HOH   G 5 .   ? 4.830   -0.178  -30.834 1.00 20.34 ? 716 HOH   A O    1 
HETATM 4752 O O    . HOH   G 5 .   ? -1.173  20.996  -6.050  1.00 34.03 ? 717 HOH   A O    1 
HETATM 4753 O O    . HOH   G 5 .   ? -11.969 10.605  -18.493 1.00 7.34  ? 718 HOH   A O    1 
HETATM 4754 O O    A HOH   G 5 .   ? -19.227 9.222   -17.472 0.62 11.16 ? 719 HOH   A O    1 
HETATM 4755 O O    B HOH   G 5 .   ? -20.337 9.302   -17.572 0.38 16.89 ? 719 HOH   A O    1 
HETATM 4756 O O    . HOH   G 5 .   ? -9.598  -15.771 -30.182 1.00 20.69 ? 720 HOH   A O    1 
HETATM 4757 O O    . HOH   G 5 .   ? -15.397 22.218  -21.036 1.00 22.21 ? 721 HOH   A O    1 
HETATM 4758 O O    . HOH   G 5 .   ? -5.000  -1.855  5.981   1.00 38.61 ? 722 HOH   A O    1 
HETATM 4759 O O    . HOH   G 5 .   ? -29.486 5.231   -19.082 1.00 14.90 ? 723 HOH   A O    1 
HETATM 4760 O O    . HOH   G 5 .   ? -4.249  27.950  -20.325 1.00 17.46 ? 724 HOH   A O    1 
HETATM 4761 O O    . HOH   G 5 .   ? 8.220   7.749   -38.865 1.00 31.32 ? 725 HOH   A O    1 
HETATM 4762 O O    . HOH   G 5 .   ? -0.048  -9.813  -23.873 1.00 13.90 ? 726 HOH   A O    1 
HETATM 4763 O O    . HOH   G 5 .   ? -17.461 17.993  -21.490 1.00 28.99 ? 727 HOH   A O    1 
HETATM 4764 O O    . HOH   G 5 .   ? -19.081 20.136  -9.042  1.00 33.38 ? 728 HOH   A O    1 
HETATM 4765 O O    . HOH   G 5 .   ? -4.271  -1.557  0.835   1.00 20.09 ? 729 HOH   A O    1 
HETATM 4766 O O    . HOH   G 5 .   ? -22.156 11.452  -8.778  1.00 34.09 ? 730 HOH   A O    1 
HETATM 4767 O O    . HOH   G 5 .   ? 4.142   -2.309  -38.859 1.00 30.40 ? 731 HOH   A O    1 
HETATM 4768 O O    . HOH   G 5 .   ? -3.170  0.590   -6.453  1.00 17.81 ? 732 HOH   A O    1 
HETATM 4769 O O    A HOH   G 5 .   ? -9.305  25.445  -23.924 0.57 30.41 ? 733 HOH   A O    1 
HETATM 4770 O O    B HOH   G 5 .   ? -10.189 24.751  -23.399 0.43 35.50 ? 733 HOH   A O    1 
HETATM 4771 O O    . HOH   G 5 .   ? -11.603 -13.987 -26.362 1.00 12.70 ? 734 HOH   A O    1 
HETATM 4772 O O    . HOH   G 5 .   ? -15.157 20.378  -9.829  1.00 34.51 ? 735 HOH   A O    1 
HETATM 4773 O O    . HOH   G 5 .   ? -18.791 14.590  -22.472 1.00 32.38 ? 736 HOH   A O    1 
HETATM 4774 O O    . HOH   G 5 .   ? -2.069  -4.747  -18.532 1.00 31.46 ? 737 HOH   A O    1 
HETATM 4775 O O    . HOH   G 5 .   ? -11.815 22.288  -8.101  1.00 39.60 ? 738 HOH   A O    1 
HETATM 4776 O O    . HOH   G 5 .   ? -10.502 24.524  -19.082 1.00 27.58 ? 739 HOH   A O    1 
HETATM 4777 O O    . HOH   G 5 .   ? 6.730   2.202   -36.486 1.00 29.09 ? 740 HOH   A O    1 
HETATM 4778 O O    . HOH   G 5 .   ? 6.682   -22.615 -32.105 1.00 28.23 ? 741 HOH   A O    1 
HETATM 4779 O O    . HOH   G 5 .   ? -16.361 10.826  -24.858 1.00 14.92 ? 742 HOH   A O    1 
HETATM 4780 O O    . HOH   G 5 .   ? -23.273 13.140  -12.039 1.00 54.30 ? 743 HOH   A O    1 
HETATM 4781 O O    . HOH   G 5 .   ? 4.095   10.361  -27.520 1.00 11.95 ? 744 HOH   A O    1 
HETATM 4782 O O    A HOH   G 5 .   ? 2.678   1.228   -4.796  0.52 28.71 ? 745 HOH   A O    1 
HETATM 4783 O O    B HOH   G 5 .   ? 3.501   1.702   -3.076  0.48 35.04 ? 745 HOH   A O    1 
HETATM 4784 O O    . HOH   G 5 .   ? -17.890 -3.414  -21.271 1.00 29.11 ? 746 HOH   A O    1 
HETATM 4785 O O    . HOH   G 5 .   ? -11.559 -4.089  -9.573  1.00 34.56 ? 747 HOH   A O    1 
HETATM 4786 O O    . HOH   G 5 .   ? -25.372 11.354  -28.141 1.00 19.81 ? 748 HOH   A O    1 
HETATM 4787 O O    . HOH   G 5 .   ? -28.541 12.199  -31.595 1.00 17.58 ? 749 HOH   A O    1 
HETATM 4788 O O    . HOH   G 5 .   ? -20.303 17.588  -12.227 1.00 29.83 ? 750 HOH   A O    1 
HETATM 4789 O O    . HOH   G 5 .   ? 8.082   -5.890  -37.644 1.00 6.87  ? 751 HOH   A O    1 
HETATM 4790 O O    . HOH   G 5 .   ? -7.798  20.218  -34.113 1.00 36.24 ? 752 HOH   A O    1 
HETATM 4791 O O    . HOH   G 5 .   ? 10.022  -6.992  -28.173 1.00 33.05 ? 753 HOH   A O    1 
HETATM 4792 O O    A HOH   G 5 .   ? -16.687 -9.008  -28.547 0.69 30.39 ? 754 HOH   A O    1 
HETATM 4793 O O    B HOH   G 5 .   ? -17.200 -8.135  -27.958 0.31 30.08 ? 754 HOH   A O    1 
HETATM 4794 O O    . HOH   G 5 .   ? -26.065 3.309   -39.230 1.00 31.40 ? 755 HOH   A O    1 
HETATM 4795 O O    . HOH   G 5 .   ? -1.990  23.949  -34.101 1.00 37.02 ? 756 HOH   A O    1 
HETATM 4796 O O    . HOH   G 5 .   ? -1.642  15.889  -37.629 1.00 31.71 ? 757 HOH   A O    1 
HETATM 4797 O O    . HOH   G 5 .   ? 5.616   1.677   -16.817 1.00 42.11 ? 758 HOH   A O    1 
HETATM 4798 O O    . HOH   G 5 .   ? -0.818  -2.189  -43.197 1.00 35.32 ? 759 HOH   A O    1 
HETATM 4799 O O    . HOH   G 5 .   ? -15.710 -1.933  -41.355 1.00 45.96 ? 760 HOH   A O    1 
HETATM 4800 O O    A HOH   G 5 .   ? -16.102 16.489  -34.398 0.68 18.22 ? 761 HOH   A O    1 
HETATM 4801 O O    B HOH   G 5 .   ? -16.016 14.886  -35.518 0.32 16.18 ? 761 HOH   A O    1 
HETATM 4802 O O    . HOH   G 5 .   ? -26.525 -4.819  -17.363 1.00 30.90 ? 762 HOH   A O    1 
HETATM 4803 O O    . HOH   G 5 .   ? -4.704  22.172  -29.033 1.00 23.65 ? 763 HOH   A O    1 
HETATM 4804 O O    . HOH   G 5 .   ? -0.872  -1.847  -14.576 1.00 44.62 ? 764 HOH   A O    1 
HETATM 4805 O O    . HOH   G 5 .   ? -9.638  -13.379 -21.984 1.00 29.75 ? 765 HOH   A O    1 
HETATM 4806 O O    . HOH   G 5 .   ? 1.435   20.784  -35.323 1.00 35.64 ? 766 HOH   A O    1 
HETATM 4807 O O    . HOH   G 5 .   ? -13.902 -0.154  -12.140 1.00 25.31 ? 767 HOH   A O    1 
HETATM 4808 O O    . HOH   G 5 .   ? -18.055 9.473   -0.114  1.00 21.21 ? 768 HOH   A O    1 
HETATM 4809 O O    . HOH   G 5 .   ? -16.549 -6.511  -21.716 1.00 23.08 ? 769 HOH   A O    1 
HETATM 4810 O O    . HOH   G 5 .   ? -15.485 5.580   -8.329  1.00 27.89 ? 770 HOH   A O    1 
HETATM 4811 O O    . HOH   G 5 .   ? -15.719 -3.576  -19.400 1.00 37.67 ? 771 HOH   A O    1 
HETATM 4812 O O    . HOH   G 5 .   ? -15.683 -0.626  -14.252 1.00 33.70 ? 772 HOH   A O    1 
HETATM 4813 O O    . HOH   G 5 .   ? -7.407  22.403  -29.505 1.00 35.63 ? 773 HOH   A O    1 
HETATM 4814 O O    . HOH   G 5 .   ? -4.345  -1.067  -7.962  1.00 27.43 ? 774 HOH   A O    1 
HETATM 4815 O O    . HOH   G 5 .   ? -18.427 6.054   -15.142 1.00 30.56 ? 775 HOH   A O    1 
HETATM 4816 O O    . HOH   G 5 .   ? -16.893 22.141  -27.757 1.00 40.13 ? 776 HOH   A O    1 
HETATM 4817 O O    . HOH   G 5 .   ? -0.744  -8.244  -21.571 1.00 16.04 ? 777 HOH   A O    1 
HETATM 4818 O O    . HOH   G 5 .   ? -21.319 12.204  -20.900 0.67 12.04 ? 778 HOH   A O    1 
HETATM 4819 O O    . HOH   G 5 .   ? -15.344 19.337  -3.496  1.00 38.55 ? 779 HOH   A O    1 
HETATM 4820 O O    . HOH   G 5 .   ? -5.608  -3.397  -42.666 1.00 19.60 ? 780 HOH   A O    1 
HETATM 4821 O O    . HOH   G 5 .   ? 5.876   0.036   -34.929 1.00 31.09 ? 781 HOH   A O    1 
HETATM 4822 O O    . HOH   G 5 .   ? -13.910 7.269   -44.783 1.00 32.31 ? 782 HOH   A O    1 
HETATM 4823 O O    . HOH   G 5 .   ? -9.663  -4.714  -42.834 1.00 20.22 ? 783 HOH   A O    1 
HETATM 4824 O O    . HOH   G 5 .   ? -13.424 10.616  -47.108 1.00 49.49 ? 784 HOH   A O    1 
HETATM 4825 O O    . HOH   G 5 .   ? -7.462  15.050  6.346   1.00 46.91 ? 785 HOH   A O    1 
HETATM 4826 O O    . HOH   G 5 .   ? 8.549   9.768   -17.784 1.00 17.25 ? 786 HOH   A O    1 
HETATM 4827 O O    . HOH   G 5 .   ? -2.150  -17.820 -36.503 1.00 31.35 ? 787 HOH   A O    1 
HETATM 4828 O O    . HOH   G 5 .   ? -22.919 5.698   -14.013 1.00 44.67 ? 788 HOH   A O    1 
HETATM 4829 O O    . HOH   G 5 .   ? -17.577 1.528   -17.603 1.00 16.73 ? 789 HOH   A O    1 
HETATM 4830 O O    . HOH   G 5 .   ? -23.876 -2.695  -43.550 1.00 18.84 ? 790 HOH   A O    1 
HETATM 4831 O O    . HOH   G 5 .   ? 8.025   -19.158 -36.274 1.00 13.84 ? 791 HOH   A O    1 
HETATM 4832 O O    . HOH   G 5 .   ? -5.311  17.260  3.745   1.00 40.47 ? 792 HOH   A O    1 
HETATM 4833 O O    . HOH   G 5 .   ? -3.036  -8.715  -18.225 1.00 42.31 ? 793 HOH   A O    1 
HETATM 4834 O O    . HOH   G 5 .   ? -14.654 5.390   -41.811 1.00 25.55 ? 794 HOH   A O    1 
HETATM 4835 O O    . HOH   G 5 .   ? -14.861 3.337   4.754   1.00 25.94 ? 795 HOH   A O    1 
HETATM 4836 O O    . HOH   G 5 .   ? -13.454 -2.702  -10.756 1.00 32.14 ? 796 HOH   A O    1 
HETATM 4837 O O    . HOH   G 5 .   ? -15.015 25.522  -28.690 1.00 40.10 ? 797 HOH   A O    1 
HETATM 4838 O O    . HOH   G 5 .   ? -18.618 -7.317  -31.689 1.00 19.47 ? 798 HOH   A O    1 
HETATM 4839 O O    . HOH   G 5 .   ? 5.246   -18.130 -36.365 1.00 11.68 ? 799 HOH   A O    1 
HETATM 4840 O O    . HOH   G 5 .   ? -15.112 -11.452 -31.935 1.00 50.76 ? 800 HOH   A O    1 
HETATM 4841 O O    . HOH   G 5 .   ? -7.322  12.037  8.029   1.00 29.75 ? 801 HOH   A O    1 
HETATM 4842 O O    . HOH   G 5 .   ? 7.502   9.102   -15.279 1.00 36.25 ? 802 HOH   A O    1 
HETATM 4843 O O    . HOH   G 5 .   ? -18.482 3.365   -15.606 1.00 22.87 ? 803 HOH   A O    1 
HETATM 4844 O O    . HOH   G 5 .   ? -8.183  -2.527  -42.023 1.00 13.53 ? 804 HOH   A O    1 
HETATM 4845 O O    . HOH   G 5 .   ? -7.232  20.028  -1.760  1.00 24.71 ? 805 HOH   A O    1 
HETATM 4846 O O    . HOH   G 5 .   ? 8.559   -3.896  -39.476 0.81 9.07  ? 806 HOH   A O    1 
HETATM 4847 O O    . HOH   G 5 .   ? -3.202  -6.163  -17.042 1.00 39.09 ? 807 HOH   A O    1 
HETATM 4848 O O    . HOH   G 5 .   ? -4.032  21.234  -4.799  1.00 30.38 ? 808 HOH   A O    1 
HETATM 4849 O O    . HOH   G 5 .   ? -19.707 13.855  -19.982 1.00 54.20 ? 809 HOH   A O    1 
HETATM 4850 O O    . HOH   G 5 .   ? -9.906  16.940  6.007   1.00 24.04 ? 810 HOH   A O    1 
HETATM 4851 O O    . HOH   G 5 .   ? -19.614 16.491  -19.058 1.00 29.83 ? 811 HOH   A O    1 
HETATM 4852 O O    . HOH   G 5 .   ? 6.160   -7.787  -22.749 1.00 37.66 ? 812 HOH   A O    1 
HETATM 4853 O O    . HOH   G 5 .   ? -23.467 15.194  -13.766 1.00 46.48 ? 813 HOH   A O    1 
HETATM 4854 O O    . HOH   G 5 .   ? -25.546 7.041   -20.717 1.00 14.31 ? 814 HOH   A O    1 
HETATM 4855 O O    . HOH   G 5 .   ? -22.610 -9.012  -33.041 1.00 20.53 ? 815 HOH   A O    1 
HETATM 4856 O O    . HOH   G 5 .   ? 2.217   27.852  -22.679 1.00 21.14 ? 816 HOH   A O    1 
HETATM 4857 O O    . HOH   G 5 .   ? -22.310 15.188  -22.909 1.00 27.93 ? 817 HOH   A O    1 
HETATM 4858 O O    A HOH   G 5 .   ? -27.662 6.948   -18.812 0.69 11.29 ? 818 HOH   A O    1 
HETATM 4859 O O    B HOH   G 5 .   ? -27.687 8.367   -19.773 0.31 13.91 ? 818 HOH   A O    1 
HETATM 4860 O O    . HOH   G 5 .   ? -6.998  24.612  -30.370 1.00 33.01 ? 819 HOH   A O    1 
HETATM 4861 O O    . HOH   G 5 .   ? 7.121   -2.184  -43.364 1.00 20.57 ? 820 HOH   A O    1 
HETATM 4862 O O    . HOH   G 5 .   ? -13.108 18.430  -34.220 1.00 35.65 ? 821 HOH   A O    1 
HETATM 4863 O O    . HOH   G 5 .   ? -26.811 5.939   -16.393 1.00 29.04 ? 822 HOH   A O    1 
HETATM 4864 O O    . HOH   G 5 .   ? 8.843   3.655   -35.415 1.00 16.39 ? 823 HOH   A O    1 
HETATM 4865 O O    . HOH   G 5 .   ? 0.580   -9.400  -19.301 1.00 29.19 ? 824 HOH   A O    1 
HETATM 4866 O O    . HOH   G 5 .   ? -12.403 2.871   -44.320 1.00 38.14 ? 825 HOH   A O    1 
HETATM 4867 O O    A HOH   G 5 .   ? -11.939 -16.401 -24.923 0.50 18.13 ? 826 HOH   A O    1 
HETATM 4868 O O    B HOH   G 5 .   ? -11.404 -16.909 -23.599 0.50 27.15 ? 826 HOH   A O    1 
HETATM 4869 O O    . HOH   G 5 .   ? -22.235 14.415  -20.138 1.00 26.70 ? 827 HOH   A O    1 
HETATM 4870 O O    A HOH   G 5 .   ? -29.965 13.649  -32.846 0.45 40.28 ? 828 HOH   A O    1 
HETATM 4871 O O    B HOH   G 5 .   ? -31.652 14.056  -33.628 0.55 40.97 ? 828 HOH   A O    1 
HETATM 4872 O O    . HOH   G 5 .   ? -1.860  29.396  -20.821 1.00 13.81 ? 829 HOH   A O    1 
HETATM 4873 O O    . HOH   G 5 .   ? -1.778  -1.957  1.978   1.00 32.17 ? 830 HOH   A O    1 
HETATM 4874 O O    . HOH   G 5 .   ? -23.686 15.785  -18.205 1.00 31.59 ? 831 HOH   A O    1 
HETATM 4875 O O    . HOH   G 5 .   ? -8.313  -1.017  -44.314 1.00 19.55 ? 832 HOH   A O    1 
HETATM 4876 O O    . HOH   G 5 .   ? 10.423  -7.184  -36.947 1.00 8.87  ? 833 HOH   A O    1 
HETATM 4877 O O    . HOH   G 5 .   ? 3.554   21.211  -36.943 0.67 12.80 ? 834 HOH   A O    1 
HETATM 4878 O O    . HOH   G 5 .   ? 0.267   -12.315 -18.986 1.00 29.63 ? 835 HOH   A O    1 
HETATM 4879 O O    . HOH   G 5 .   ? 12.831  -7.145  -38.075 1.00 17.49 ? 836 HOH   A O    1 
HETATM 4880 O O    . HOH   G 5 .   ? -0.290  -12.912 -16.751 1.00 48.64 ? 837 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   A GLY   A 1   ? 0.3675 0.3606 0.1621 -0.0049 -0.0232 0.0310  1   GLY   A N   
2    N N   B GLY   A 1   ? 0.6704 0.6607 0.2357 0.0066  0.0462  -0.0010 1   GLY   A N   
3    C CA  A GLY   A 1   ? 0.2611 0.2660 0.1475 -0.0088 -0.0322 0.0176  1   GLY   A CA  
4    C CA  B GLY   A 1   ? 0.6592 0.6412 0.2303 0.0002  0.0371  0.0052  1   GLY   A CA  
5    C C   A GLY   A 1   ? 0.1916 0.1817 0.1268 -0.0215 -0.0248 0.0202  1   GLY   A C   
6    C C   B GLY   A 1   ? 0.6434 0.6185 0.2265 0.0157  0.0202  0.0053  1   GLY   A C   
7    O O   A GLY   A 1   ? 0.1789 0.2051 0.1251 -0.0079 -0.0261 0.0097  1   GLY   A O   
8    O O   B GLY   A 1   ? 0.7144 0.6537 0.2372 -0.0013 0.0161  0.0213  1   GLY   A O   
19   N N   A SER   A 2   ? 0.1799 0.1406 0.1110 -0.0047 0.0007  0.0326  2   SER   A N   
20   N N   B SER   A 2   ? 0.5599 0.5462 0.2155 0.0587  0.0150  0.0026  2   SER   A N   
21   C CA  A SER   A 2   ? 0.1696 0.1514 0.0977 0.0091  0.0295  0.0297  2   SER   A CA  
22   C CA  B SER   A 2   ? 0.4353 0.4410 0.1966 0.0784  0.0036  0.0059  2   SER   A CA  
23   C C   A SER   A 2   ? 0.1649 0.0840 0.0847 -0.0096 0.0350  0.0060  2   SER   A C   
24   C C   B SER   A 2   ? 0.2951 0.2869 0.1642 0.0669  -0.0158 -0.0057 2   SER   A C   
25   O O   A SER   A 2   ? 0.1692 0.0594 0.0848 -0.0367 0.0345  -0.0074 2   SER   A O   
26   O O   B SER   A 2   ? 0.1204 0.2822 0.1677 0.0234  0.0026  -0.0209 2   SER   A O   
27   C CB  A SER   A 2   ? 0.1331 0.1931 0.1061 0.0390  0.0196  0.0298  2   SER   A CB  
28   C CB  B SER   A 2   ? 0.4624 0.4974 0.2060 0.0661  0.0006  0.0197  2   SER   A CB  
29   O OG  A SER   A 2   ? 0.2431 0.2583 0.1177 0.1428  -0.0071 -0.0074 2   SER   A OG  
30   O OG  B SER   A 2   ? 0.4914 0.5414 0.2157 0.0587  0.0068  0.0264  2   SER   A OG  
41   N N   A ALA   A 3   ? 0.1647 0.0777 0.0862 -0.0112 0.0457  0.0101  3   ALA   A N   
42   N N   B ALA   A 3   ? 0.2700 0.1838 0.1311 0.0393  -0.0324 0.0016  3   ALA   A N   
43   C CA  A ALA   A 3   ? 0.2217 0.0651 0.0879 -0.0224 0.0589  -0.0090 3   ALA   A CA  
44   C CA  B ALA   A 3   ? 0.2503 0.1408 0.1059 0.0303  -0.0157 0.0038  3   ALA   A CA  
45   C C   A ALA   A 3   ? 0.1896 0.0627 0.0933 -0.0144 0.0525  -0.0174 3   ALA   A C   
46   C C   B ALA   A 3   ? 0.1623 0.1005 0.0919 0.0010  0.0137  -0.0166 3   ALA   A C   
47   O O   A ALA   A 3   ? 0.2874 0.0783 0.0949 -0.0203 0.0571  -0.0059 3   ALA   A O   
48   O O   B ALA   A 3   ? 0.2252 0.1223 0.0979 -0.0003 0.0302  -0.0192 3   ALA   A O   
49   C CB  A ALA   A 3   ? 0.2571 0.1125 0.0946 -0.0616 0.0522  -0.0065 3   ALA   A CB  
50   C CB  B ALA   A 3   ? 0.3077 0.1850 0.1011 0.0023  0.0175  0.0472  3   ALA   A CB  
61   N N   A GLN   A 4   ? 0.1741 0.1024 0.0949 -0.0001 0.0544  0.0000  4   GLN   A N   
62   N N   B GLN   A 4   ? 0.1363 0.1131 0.0809 0.0131  0.0323  -0.0048 4   GLN   A N   
63   C CA  A GLN   A 4   ? 0.1871 0.1395 0.1045 0.0060  0.0492  0.0286  4   GLN   A CA  
64   C CA  B GLN   A 4   ? 0.1026 0.1259 0.0805 -0.0392 0.0216  0.0114  4   GLN   A CA  
65   C C   A GLN   A 4   ? 0.1312 0.1123 0.0946 0.0369  0.0447  0.0195  4   GLN   A C   
66   C C   B GLN   A 4   ? 0.1561 0.1017 0.0689 -0.0409 0.0134  0.0190  4   GLN   A C   
67   O O   A GLN   A 4   ? 0.1886 0.1494 0.0956 0.0903  0.0204  0.0279  4   GLN   A O   
68   O O   B GLN   A 4   ? 0.1366 0.1722 0.0639 -0.0179 0.0159  0.0265  4   GLN   A O   
69   C CB  A GLN   A 4   ? 0.1011 0.2122 0.1186 0.0037  0.0510  0.0309  4   GLN   A CB  
70   C CB  B GLN   A 4   ? 0.1094 0.1682 0.1044 -0.0190 0.0124  0.0470  4   GLN   A CB  
71   C CG  A GLN   A 4   ? 0.1146 0.2701 0.1349 -0.0100 0.0266  0.0525  4   GLN   A CG  
72   C CG  B GLN   A 4   ? 0.0868 0.1850 0.1257 -0.0257 0.0178  0.0433  4   GLN   A CG  
73   C CD  A GLN   A 4   ? 0.1486 0.3151 0.1497 -0.0417 0.0297  0.0557  4   GLN   A CD  
74   C CD  B GLN   A 4   ? 0.1000 0.1181 0.1218 0.0060  0.0266  0.0129  4   GLN   A CD  
75   O OE1 A GLN   A 4   ? 0.2221 0.3533 0.1628 -0.0665 -0.0093 0.0684  4   GLN   A OE1 
76   O OE1 B GLN   A 4   ? 0.2420 0.0985 0.1161 -0.0305 0.0450  -0.0350 4   GLN   A OE1 
77   N NE2 A GLN   A 4   ? 0.2761 0.3304 0.1572 -0.0242 0.0206  0.0443  4   GLN   A NE2 
78   N NE2 B GLN   A 4   ? 0.1481 0.1028 0.1190 0.0128  0.0438  -0.0068 4   GLN   A NE2 
95   N N   A ALA   A 5   ? 0.1210 0.1035 0.0705 -0.0074 0.0438  0.0126  5   ALA   A N   
96   N N   B ALA   A 5   ? 0.1387 0.0907 0.0751 0.0016  0.0427  -0.0116 5   ALA   A N   
97   C CA  A ALA   A 5   ? 0.1276 0.1225 0.0557 -0.0130 0.0217  0.0199  5   ALA   A CA  
98   C CA  B ALA   A 5   ? 0.1579 0.1257 0.0855 -0.0386 0.0406  -0.0076 5   ALA   A CA  
99   C C   A ALA   A 5   ? 0.0951 0.1210 0.0622 -0.0293 -0.0022 0.0199  5   ALA   A C   
100  C C   B ALA   A 5   ? 0.1705 0.1168 0.0965 -0.0172 0.0648  -0.0288 5   ALA   A C   
101  O O   A ALA   A 5   ? 0.1633 0.1343 0.0681 0.0420  -0.0212 0.0257  5   ALA   A O   
102  O O   B ALA   A 5   ? 0.1643 0.1019 0.1136 -0.0590 0.0716  -0.0387 5   ALA   A O   
103  C CB  A ALA   A 5   ? 0.1534 0.1315 0.0525 -0.0021 0.0190  0.0086  5   ALA   A CB  
104  C CB  B ALA   A 5   ? 0.1609 0.1059 0.1014 0.0072  0.0277  0.0038  5   ALA   A CB  
115  N N   . VAL   A 6   ? 0.1272 0.1065 0.0747 -0.0141 0.0433  0.0061  6   VAL   A N   
116  C CA  . VAL   A 6   ? 0.1231 0.1119 0.0835 0.0126  0.0383  0.0034  6   VAL   A CA  
117  C C   . VAL   A 6   ? 0.1188 0.0797 0.0739 0.0026  0.0234  0.0090  6   VAL   A C   
118  O O   . VAL   A 6   ? 0.1164 0.0822 0.0825 -0.0146 0.0323  0.0050  6   VAL   A O   
119  C CB  . VAL   A 6   ? 0.1052 0.1842 0.1120 0.0225  0.0264  0.0142  6   VAL   A CB  
120  C CG1 . VAL   A 6   ? 0.0973 0.2602 0.1278 0.0507  -0.0042 0.0152  6   VAL   A CG1 
121  C CG2 . VAL   A 6   ? 0.2103 0.2538 0.1357 0.0629  0.0657  -0.0112 6   VAL   A CG2 
132  N N   . VAL   A 7   ? 0.0966 0.0767 0.0523 0.0004  0.0163  0.0009  7   VAL   A N   
133  C CA  . VAL   A 7   ? 0.0872 0.0578 0.0400 -0.0069 0.0068  0.0115  7   VAL   A CA  
134  C C   . VAL   A 7   ? 0.0676 0.0661 0.0430 -0.0040 0.0071  -0.0045 7   VAL   A C   
135  O O   . VAL   A 7   ? 0.1121 0.0604 0.0574 0.0048  -0.0187 0.0004  7   VAL   A O   
136  C CB  . VAL   A 7   ? 0.0750 0.0625 0.0509 -0.0015 0.0044  0.0058  7   VAL   A CB  
137  C CG1 . VAL   A 7   ? 0.0872 0.0755 0.0557 0.0048  -0.0005 0.0055  7   VAL   A CG1 
138  C CG2 . VAL   A 7   ? 0.1300 0.0740 0.0440 0.0093  0.0012  0.0089  7   VAL   A CG2 
148  N N   . THR   A 8   ? 0.0807 0.0696 0.0403 0.0015  0.0047  0.0116  8   THR   A N   
149  C CA  A THR   A 8   ? 0.0944 0.1067 0.0489 -0.0333 -0.0004 0.0126  8   THR   A CA  
150  C CA  B THR   A 8   ? 0.0992 0.0871 0.0479 -0.0016 0.0066  0.0074  8   THR   A CA  
151  C C   . THR   A 8   ? 0.0846 0.0647 0.0457 -0.0046 -0.0086 0.0038  8   THR   A C   
152  O O   . THR   A 8   ? 0.1197 0.0853 0.0471 -0.0059 0.0052  0.0159  8   THR   A O   
153  C CB  A THR   A 8   ? 0.0898 0.1718 0.0652 -0.0608 -0.0088 0.0235  8   THR   A CB  
154  C CB  B THR   A 8   ? 0.1200 0.1147 0.0625 -0.0058 0.0102  -0.0030 8   THR   A CB  
155  O OG1 A THR   A 8   ? 0.0838 0.1961 0.0857 -0.0384 -0.0172 0.0302  8   THR   A OG1 
156  O OG1 B THR   A 8   ? 0.0946 0.1389 0.0734 -0.0285 -0.0051 -0.0105 8   THR   A OG1 
157  C CG2 A THR   A 8   ? 0.1052 0.2227 0.0760 -0.0617 -0.0208 0.0376  8   THR   A CG2 
158  C CG2 B THR   A 8   ? 0.1369 0.1332 0.0714 0.0098  0.0305  0.0204  8   THR   A CG2 
173  N N   . GLN   A 9   ? 0.0617 0.0866 0.0528 0.0016  0.0011  0.0077  9   GLN   A N   
174  C CA  . GLN   A 9   ? 0.0986 0.0704 0.0411 -0.0138 -0.0008 0.0060  9   GLN   A CA  
175  C C   . GLN   A 9   ? 0.0926 0.0791 0.0446 -0.0185 -0.0148 0.0105  9   GLN   A C   
176  O O   . GLN   A 9   ? 0.0953 0.1201 0.0583 0.0138  -0.0074 0.0105  9   GLN   A O   
177  C CB  . GLN   A 9   ? 0.0996 0.0617 0.0366 -0.0101 0.0011  0.0022  9   GLN   A CB  
178  C CG  . GLN   A 9   ? 0.0799 0.0694 0.0335 -0.0056 0.0053  0.0037  9   GLN   A CG  
179  C CD  . GLN   A 9   ? 0.0687 0.0686 0.0264 -0.0017 -0.0034 0.0036  9   GLN   A CD  
180  O OE1 . GLN   A 9   ? 0.0788 0.0782 0.0321 -0.0080 0.0063  -0.0048 9   GLN   A OE1 
181  N NE2 . GLN   A 9   ? 0.0969 0.0929 0.0368 -0.0198 0.0093  -0.0194 9   GLN   A NE2 
190  N N   . GLU   A 10  ? 0.0777 0.1002 0.0384 0.0037  -0.0129 0.0050  10  GLU   A N   
191  C CA  . GLU   A 10  ? 0.1063 0.0990 0.0369 -0.0144 -0.0078 -0.0011 10  GLU   A CA  
192  C C   . GLU   A 10  ? 0.0974 0.1117 0.0301 0.0025  -0.0007 0.0072  10  GLU   A C   
193  O O   . GLU   A 10  ? 0.0989 0.1043 0.0610 -0.0247 -0.0289 0.0058  10  GLU   A O   
194  C CB  . GLU   A 10  ? 0.0895 0.1329 0.0424 0.0035  -0.0220 0.0050  10  GLU   A CB  
195  C CG  . GLU   A 10  ? 0.1252 0.1521 0.0509 0.0154  -0.0249 -0.0192 10  GLU   A CG  
196  C CD  . GLU   A 10  ? 0.1444 0.1103 0.0479 -0.0183 -0.0085 -0.0151 10  GLU   A CD  
197  O OE1 . GLU   A 10  ? 0.1187 0.1339 0.0518 0.0103  -0.0154 -0.0114 10  GLU   A OE1 
198  O OE2 . GLU   A 10  ? 0.1387 0.1451 0.0661 -0.0009 -0.0276 -0.0121 10  GLU   A OE2 
205  N N   . SER   A 11  ? 0.0770 0.1037 0.0383 -0.0078 -0.0083 0.0042  11  SER   A N   
206  C CA  A SER   A 11  ? 0.0979 0.0788 0.0427 0.0067  0.0127  -0.0066 11  SER   A CA  
207  C CA  B SER   A 11  ? 0.0730 0.0943 0.0423 -0.0064 0.0011  -0.0043 11  SER   A CA  
208  C C   . SER   A 11  ? 0.0876 0.0948 0.0430 0.0019  -0.0001 -0.0129 11  SER   A C   
209  O O   . SER   A 11  ? 0.0900 0.1123 0.0503 0.0028  0.0019  -0.0140 11  SER   A O   
210  C CB  A SER   A 11  ? 0.1666 0.0944 0.0726 0.0294  0.0242  -0.0088 11  SER   A CB  
211  C CB  B SER   A 11  ? 0.0749 0.1262 0.0612 -0.0379 -0.0036 -0.0088 11  SER   A CB  
212  O OG  A SER   A 11  ? 0.1435 0.1473 0.1114 0.0271  0.0215  0.0006  11  SER   A OG  
213  O OG  B SER   A 11  ? 0.0675 0.1506 0.0861 0.0114  0.0205  0.0060  11  SER   A OG  
224  N N   . ALA   A 12  ? 0.0692 0.0944 0.0430 -0.0040 0.0091  -0.0025 12  ALA   A N   
225  C CA  . ALA   A 12  ? 0.0968 0.0824 0.0459 0.0058  0.0081  -0.0001 12  ALA   A CA  
226  C C   . ALA   A 12  ? 0.0974 0.0877 0.0304 -0.0110 -0.0055 -0.0021 12  ALA   A C   
227  O O   . ALA   A 12  ? 0.0913 0.1210 0.0457 -0.0234 0.0082  -0.0176 12  ALA   A O   
228  C CB  . ALA   A 12  ? 0.1040 0.1232 0.0907 0.0145  0.0260  0.0306  12  ALA   A CB  
234  N N   . LEU   A 13  ? 0.0885 0.0890 0.0258 -0.0068 0.0020  -0.0098 13  LEU   A N   
235  C CA  . LEU   A 13  ? 0.0746 0.0926 0.0312 -0.0095 -0.0025 -0.0036 13  LEU   A CA  
236  C C   . LEU   A 13  ? 0.0858 0.0954 0.0276 0.0001  -0.0084 -0.0120 13  LEU   A C   
237  O O   . LEU   A 13  ? 0.0995 0.1000 0.0330 -0.0225 -0.0007 -0.0116 13  LEU   A O   
238  C CB  . LEU   A 13  ? 0.0919 0.1113 0.0385 -0.0003 0.0021  -0.0076 13  LEU   A CB  
239  C CG  . LEU   A 13  ? 0.1209 0.1053 0.0436 0.0089  -0.0031 -0.0002 13  LEU   A CG  
240  C CD1 . LEU   A 13  ? 0.1413 0.1388 0.0696 0.0344  -0.0131 -0.0045 13  LEU   A CD1 
241  C CD2 . LEU   A 13  ? 0.1453 0.1118 0.0467 -0.0144 0.0063  0.0004  13  LEU   A CD2 
253  N N   . THR   A 14  ? 0.0950 0.0992 0.0300 -0.0139 0.0026  -0.0116 14  THR   A N   
254  C CA  . THR   A 14  ? 0.0897 0.1024 0.0350 -0.0117 0.0015  -0.0123 14  THR   A CA  
255  C C   . THR   A 14  ? 0.0786 0.1024 0.0392 -0.0143 0.0053  -0.0125 14  THR   A C   
256  O O   . THR   A 14  ? 0.1000 0.1276 0.0743 -0.0283 0.0320  -0.0433 14  THR   A O   
257  C CB  . THR   A 14  ? 0.1326 0.1189 0.0495 0.0049  0.0159  0.0089  14  THR   A CB  
258  O OG1 . THR   A 14  ? 0.1157 0.1374 0.0783 0.0146  0.0020  0.0080  14  THR   A OG1 
259  C CG2 . THR   A 14  ? 0.0988 0.1579 0.0483 0.0071  -0.0035 0.0154  14  THR   A CG2 
267  N N   . THR   A 15  ? 0.0915 0.0853 0.0383 -0.0085 0.0074  -0.0165 15  THR   A N   
268  C CA  . THR   A 15  ? 0.1049 0.0760 0.0382 -0.0069 0.0054  -0.0035 15  THR   A CA  
269  C C   . THR   A 15  ? 0.0983 0.0725 0.0369 0.0064  0.0012  -0.0051 15  THR   A C   
270  O O   . THR   A 15  ? 0.0933 0.0943 0.0385 -0.0030 0.0040  -0.0017 15  THR   A O   
271  C CB  . THR   A 15  ? 0.1051 0.0885 0.0452 0.0004  0.0045  -0.0048 15  THR   A CB  
272  O OG1 . THR   A 15  ? 0.1166 0.1080 0.0455 -0.0016 0.0181  -0.0046 15  THR   A OG1 
273  C CG2 . THR   A 15  ? 0.1006 0.1210 0.0513 0.0031  -0.0059 -0.0022 15  THR   A CG2 
281  N N   . SER   A 16  ? 0.0971 0.0869 0.0471 -0.0006 0.0066  -0.0034 16  SER   A N   
282  C CA  . SER   A 16  ? 0.0959 0.0931 0.0403 -0.0182 0.0087  0.0066  16  SER   A CA  
283  C C   . SER   A 16  ? 0.0671 0.0930 0.0384 -0.0036 0.0012  0.0077  16  SER   A C   
284  O O   . SER   A 16  ? 0.0925 0.0846 0.0427 0.0028  0.0058  0.0075  16  SER   A O   
285  C CB  . SER   A 16  ? 0.1242 0.1171 0.0537 -0.0325 -0.0022 0.0090  16  SER   A CB  
286  O OG  . SER   A 16  ? 0.1224 0.1324 0.0467 -0.0055 0.0046  0.0021  16  SER   A OG  
292  N N   . PRO   A 17  ? 0.1045 0.0797 0.0391 -0.0138 0.0049  0.0039  17  PRO   A N   
293  C CA  . PRO   A 17  ? 0.0662 0.1034 0.0582 -0.0011 0.0008  0.0106  17  PRO   A CA  
294  C C   . PRO   A 17  ? 0.0785 0.0762 0.0438 0.0062  0.0095  0.0007  17  PRO   A C   
295  O O   . PRO   A 17  ? 0.1003 0.1071 0.0310 0.0070  0.0016  -0.0024 17  PRO   A O   
296  C CB  . PRO   A 17  ? 0.1244 0.1050 0.0932 -0.0357 0.0155  0.0027  17  PRO   A CB  
297  C CG  . PRO   A 17  ? 0.1338 0.0914 0.0928 -0.0211 0.0195  -0.0059 17  PRO   A CG  
298  C CD  . PRO   A 17  ? 0.1284 0.0795 0.0739 -0.0164 0.0163  0.0028  17  PRO   A CD  
306  N N   . GLY   A 18  ? 0.0638 0.1032 0.0370 -0.0064 -0.0016 -0.0024 18  GLY   A N   
307  C CA  . GLY   A 18  ? 0.0852 0.0956 0.0341 0.0089  0.0079  -0.0109 18  GLY   A CA  
308  C C   . GLY   A 18  ? 0.0942 0.0797 0.0293 0.0038  0.0075  -0.0008 18  GLY   A C   
309  O O   . GLY   A 18  ? 0.0999 0.0927 0.0547 0.0118  0.0070  -0.0111 18  GLY   A O   
313  N N   . GLU   A 19  ? 0.0840 0.0795 0.0336 0.0015  0.0066  -0.0046 19  GLU   A N   
314  C CA  . GLU   A 19  ? 0.0719 0.0850 0.0319 -0.0007 0.0015  -0.0093 19  GLU   A CA  
315  C C   . GLU   A 19  ? 0.0584 0.0888 0.0349 0.0030  -0.0029 -0.0163 19  GLU   A C   
316  O O   . GLU   A 19  ? 0.1030 0.0880 0.0410 -0.0142 -0.0108 -0.0034 19  GLU   A O   
317  C CB  . GLU   A 19  ? 0.0780 0.0923 0.0446 -0.0093 -0.0105 0.0023  19  GLU   A CB  
318  C CG  . GLU   A 19  ? 0.1212 0.1003 0.0463 -0.0004 -0.0103 0.0011  19  GLU   A CG  
319  C CD  . GLU   A 19  ? 0.0931 0.1072 0.0593 0.0062  -0.0090 0.0092  19  GLU   A CD  
320  O OE1 . GLU   A 19  ? 0.0910 0.1462 0.0709 0.0128  0.0025  0.0194  19  GLU   A OE1 
321  O OE2 . GLU   A 19  ? 0.1049 0.1123 0.1034 0.0059  -0.0248 0.0096  19  GLU   A OE2 
328  N N   . THR   A 20  ? 0.0909 0.0873 0.0274 -0.0175 -0.0034 -0.0046 20  THR   A N   
329  C CA  . THR   A 20  ? 0.0955 0.0741 0.0362 -0.0136 0.0044  -0.0060 20  THR   A CA  
330  C C   . THR   A 20  ? 0.0834 0.0698 0.0477 -0.0089 0.0010  -0.0031 20  THR   A C   
331  O O   . THR   A 20  ? 0.0665 0.1294 0.0769 -0.0053 -0.0026 -0.0136 20  THR   A O   
332  C CB  . THR   A 20  ? 0.1108 0.1002 0.0546 0.0093  0.0069  -0.0040 20  THR   A CB  
333  O OG1 . THR   A 20  ? 0.1728 0.0980 0.0696 0.0303  -0.0009 -0.0010 20  THR   A OG1 
334  C CG2 . THR   A 20  ? 0.1446 0.0903 0.0603 0.0071  -0.0046 0.0066  20  THR   A CG2 
342  N N   . VAL   A 21  ? 0.0907 0.0926 0.0429 0.0016  0.0049  0.0044  21  VAL   A N   
343  C CA  . VAL   A 21  ? 0.1047 0.0851 0.0574 0.0064  0.0270  0.0072  21  VAL   A CA  
344  C C   . VAL   A 21  ? 0.0850 0.0932 0.0366 -0.0088 0.0055  -0.0121 21  VAL   A C   
345  O O   . VAL   A 21  ? 0.0983 0.1290 0.0411 -0.0080 -0.0055 0.0029  21  VAL   A O   
346  C CB  . VAL   A 21  ? 0.1164 0.1243 0.0703 0.0158  0.0013  0.0121  21  VAL   A CB  
347  C CG1 . VAL   A 21  ? 0.1587 0.1338 0.1009 0.0210  0.0311  -0.0151 21  VAL   A CG1 
348  C CG2 . VAL   A 21  ? 0.1694 0.1111 0.0844 -0.0184 0.0014  0.0019  21  VAL   A CG2 
358  N N   . THR   A 22  ? 0.0846 0.0931 0.0336 -0.0068 0.0024  -0.0006 22  THR   A N   
359  C CA  . THR   A 22  ? 0.1326 0.0657 0.0393 -0.0123 0.0041  -0.0054 22  THR   A CA  
360  C C   . THR   A 22  ? 0.1061 0.0784 0.0334 0.0017  0.0074  0.0021  22  THR   A C   
361  O O   . THR   A 22  ? 0.0882 0.1466 0.0438 0.0080  -0.0053 -0.0079 22  THR   A O   
362  C CB  . THR   A 22  ? 0.1474 0.1135 0.0698 -0.0045 0.0387  -0.0187 22  THR   A CB  
363  O OG1 . THR   A 22  ? 0.2115 0.1198 0.0817 -0.0090 0.0039  -0.0188 22  THR   A OG1 
364  C CG2 . THR   A 22  ? 0.2173 0.1078 0.0889 -0.0342 0.0307  0.0006  22  THR   A CG2 
372  N N   . LEU   A 23  ? 0.0885 0.0891 0.0298 -0.0039 -0.0067 -0.0021 23  LEU   A N   
373  C CA  . LEU   A 23  ? 0.0849 0.0876 0.0328 0.0041  0.0066  -0.0049 23  LEU   A CA  
374  C C   . LEU   A 23  ? 0.0872 0.0933 0.0369 -0.0055 -0.0038 0.0043  23  LEU   A C   
375  O O   . LEU   A 23  ? 0.0927 0.1202 0.0632 0.0044  0.0046  0.0337  23  LEU   A O   
376  C CB  . LEU   A 23  ? 0.1189 0.0802 0.0477 -0.0052 0.0069  -0.0112 23  LEU   A CB  
377  C CG  . LEU   A 23  ? 0.1363 0.0886 0.0934 -0.0108 -0.0251 -0.0018 23  LEU   A CG  
378  C CD1 . LEU   A 23  ? 0.1963 0.1335 0.0856 -0.0142 0.0126  -0.0047 23  LEU   A CD1 
379  C CD2 . LEU   A 23  ? 0.1887 0.1058 0.1540 0.0165  0.0025  -0.0284 23  LEU   A CD2 
391  N N   . THR   A 24  ? 0.0724 0.0924 0.0450 -0.0070 0.0040  -0.0077 24  THR   A N   
392  C CA  . THR   A 24  ? 0.1277 0.0694 0.0449 -0.0064 0.0047  -0.0011 24  THR   A CA  
393  C C   . THR   A 24  ? 0.0751 0.0781 0.0456 -0.0108 0.0126  -0.0075 24  THR   A C   
394  O O   . THR   A 24  ? 0.1042 0.0798 0.0475 0.0021  0.0083  -0.0064 24  THR   A O   
395  C CB  . THR   A 24  ? 0.1219 0.0955 0.0621 -0.0010 -0.0014 -0.0229 24  THR   A CB  
396  O OG1 . THR   A 24  ? 0.1268 0.1165 0.0755 -0.0278 -0.0035 -0.0155 24  THR   A OG1 
397  C CG2 . THR   A 24  ? 0.1592 0.1236 0.0786 -0.0110 -0.0107 -0.0372 24  THR   A CG2 
405  N N   . CYS   A 25  ? 0.1083 0.0669 0.0458 -0.0132 0.0152  -0.0034 25  CYS   A N   
406  C CA  A CYS   A 25  ? 0.1129 0.0735 0.0415 -0.0138 0.0159  -0.0039 25  CYS   A CA  
407  C CA  B CYS   A 25  ? 0.1224 0.0792 0.0522 -0.0113 0.0178  -0.0104 25  CYS   A CA  
408  C C   . CYS   A 25  ? 0.1267 0.0543 0.0499 -0.0131 0.0184  -0.0152 25  CYS   A C   
409  O O   . CYS   A 25  ? 0.1162 0.0726 0.0776 -0.0053 0.0344  0.0041  25  CYS   A O   
410  C CB  A CYS   A 25  ? 0.0965 0.0866 0.0583 -0.0198 0.0051  -0.0101 25  CYS   A CB  
411  C CB  B CYS   A 25  ? 0.1268 0.1185 0.0623 -0.0122 0.0200  -0.0137 25  CYS   A CB  
412  S SG  A CYS   A 25  ? 0.1214 0.0789 0.0442 -0.0154 0.0123  -0.0044 25  CYS   A SG  
413  S SG  B CYS   A 25  ? 0.0983 0.1515 0.0678 -0.0278 0.0320  -0.0145 25  CYS   A SG  
420  N N   . ARG   A 26  ? 0.1082 0.0642 0.0500 -0.0182 0.0247  -0.0015 26  ARG   A N   
421  C CA  A ARG   A 26  ? 0.1065 0.0956 0.0655 -0.0317 0.0064  0.0105  26  ARG   A CA  
422  C CA  B ARG   A 26  ? 0.1215 0.0574 0.0459 -0.0208 0.0106  -0.0030 26  ARG   A CA  
423  C C   . ARG   A 26  ? 0.0930 0.0543 0.0504 -0.0155 0.0024  0.0035  26  ARG   A C   
424  O O   . ARG   A 26  ? 0.1267 0.0704 0.0523 -0.0106 0.0192  0.0050  26  ARG   A O   
425  C CB  A ARG   A 26  ? 0.0952 0.1756 0.1023 -0.0556 -0.0068 0.0198  26  ARG   A CB  
426  C CB  B ARG   A 26  ? 0.1500 0.0843 0.0491 -0.0478 0.0039  -0.0115 26  ARG   A CB  
427  C CG  A ARG   A 26  ? 0.1066 0.2589 0.1520 -0.0182 -0.0383 0.0216  26  ARG   A CG  
428  C CG  B ARG   A 26  ? 0.2640 0.1827 0.0776 -0.0253 -0.0352 -0.0110 26  ARG   A CG  
429  C CD  A ARG   A 26  ? 0.2005 0.2905 0.1825 -0.0480 -0.0090 0.0141  26  ARG   A CD  
430  C CD  B ARG   A 26  ? 0.3505 0.2562 0.1031 -0.0473 -0.0213 -0.0112 26  ARG   A CD  
431  N NE  A ARG   A 26  ? 0.3511 0.3284 0.2078 -0.0638 0.0234  0.0269  26  ARG   A NE  
432  N NE  B ARG   A 26  ? 0.3262 0.3085 0.1323 -0.0996 0.0007  -0.0090 26  ARG   A NE  
433  C CZ  A ARG   A 26  ? 0.4064 0.3823 0.2215 -0.0075 0.0258  0.0360  26  ARG   A CZ  
434  C CZ  B ARG   A 26  ? 0.3941 0.3162 0.1550 -0.1279 0.0234  -0.0141 26  ARG   A CZ  
435  N NH1 A ARG   A 26  ? 0.4049 0.3988 0.2282 -0.0131 0.0150  0.0280  26  ARG   A NH1 
436  N NH1 B ARG   A 26  ? 0.4286 0.2837 0.1610 -0.1719 0.0231  -0.0296 26  ARG   A NH1 
437  N NH2 A ARG   A 26  ? 0.4285 0.4035 0.2264 0.0226  0.0402  0.0498  26  ARG   A NH2 
438  N NH2 B ARG   A 26  ? 0.4261 0.3566 0.1674 -0.0992 0.0233  -0.0157 26  ARG   A NH2 
465  N N   . SER   A 27  ? 0.1209 0.0688 0.0455 -0.0112 0.0122  0.0025  27  SER   A N   
466  C CA  . SER   A 27  ? 0.1219 0.0833 0.0497 -0.0387 0.0083  0.0067  27  SER   A CA  
467  C C   . SER   A 27  ? 0.1459 0.0740 0.0638 -0.0170 0.0014  0.0061  27  SER   A C   
468  O O   . SER   A 27  ? 0.1222 0.1000 0.0800 -0.0247 -0.0015 -0.0044 27  SER   A O   
469  C CB  . SER   A 27  ? 0.1373 0.0824 0.0450 -0.0269 -0.0121 0.0010  27  SER   A CB  
470  O OG  . SER   A 27  ? 0.1352 0.1082 0.0529 -0.0368 -0.0002 0.0088  27  SER   A OG  
476  N N   . SER   A 28  ? 0.1252 0.0945 0.0710 -0.0284 0.0217  -0.0009 28  SER   A N   
477  C CA  . SER   A 28  ? 0.1160 0.1193 0.0994 -0.0234 0.0161  0.0100  28  SER   A CA  
478  C C   . SER   A 28  ? 0.1125 0.1053 0.1221 -0.0349 0.0244  0.0162  28  SER   A C   
479  O O   . SER   A 28  ? 0.1231 0.1510 0.1507 -0.0356 0.0175  0.0302  28  SER   A O   
480  C CB  . SER   A 28  ? 0.1311 0.1151 0.1054 -0.0142 0.0255  0.0150  28  SER   A CB  
481  O OG  . SER   A 28  ? 0.1514 0.1195 0.0956 -0.0178 0.0425  -0.0044 28  SER   A OG  
487  N N   . THR   A 29  ? 0.1154 0.0975 0.1182 -0.0213 0.0188  0.0166  29  THR   A N   
488  C CA  . THR   A 29  ? 0.1246 0.0882 0.1424 -0.0301 0.0280  0.0322  29  THR   A CA  
489  C C   . THR   A 29  ? 0.1718 0.0987 0.1656 -0.0437 0.0175  0.0272  29  THR   A C   
490  O O   . THR   A 29  ? 0.2121 0.1125 0.1952 -0.0484 0.0369  0.0413  29  THR   A O   
491  C CB  . THR   A 29  ? 0.1338 0.1262 0.1509 -0.0273 0.0086  0.0582  29  THR   A CB  
492  O OG1 . THR   A 29  ? 0.1242 0.1136 0.1709 -0.0228 0.0059  0.0464  29  THR   A OG1 
493  C CG2 . THR   A 29  ? 0.1841 0.1452 0.1425 0.0004  -0.0117 0.0262  29  THR   A CG2 
501  N N   . GLY   A 30  ? 0.1926 0.0823 0.1698 -0.0228 0.0444  -0.0016 30  GLY   A N   
502  C CA  . GLY   A 30  ? 0.1647 0.1369 0.1764 -0.0467 0.0237  0.0005  30  GLY   A CA  
503  C C   . GLY   A 30  ? 0.0986 0.1137 0.1588 -0.0382 0.0017  -0.0055 30  GLY   A C   
504  O O   . GLY   A 30  ? 0.1507 0.0863 0.1504 -0.0272 0.0091  0.0016  30  GLY   A O   
508  N N   . ALA   A 31  ? 0.1480 0.0735 0.1499 -0.0258 0.0007  -0.0111 31  ALA   A N   
509  C CA  . ALA   A 31  ? 0.1446 0.0702 0.1333 -0.0224 -0.0113 -0.0161 31  ALA   A CA  
510  C C   . ALA   A 31  ? 0.1519 0.0699 0.0978 -0.0183 -0.0288 -0.0081 31  ALA   A C   
511  O O   . ALA   A 31  ? 0.1493 0.0814 0.0988 -0.0291 -0.0077 0.0118  31  ALA   A O   
512  C CB  . ALA   A 31  ? 0.2136 0.0935 0.1506 -0.0308 -0.0145 -0.0316 31  ALA   A CB  
518  N N   . VAL   A 32  ? 0.1181 0.0699 0.0816 -0.0115 -0.0110 0.0045  32  VAL   A N   
519  C CA  . VAL   A 32  ? 0.1246 0.0592 0.0670 -0.0195 -0.0219 -0.0116 32  VAL   A CA  
520  C C   . VAL   A 32  ? 0.1231 0.0527 0.0807 -0.0037 -0.0099 -0.0116 32  VAL   A C   
521  O O   . VAL   A 32  ? 0.1750 0.0880 0.0930 0.0171  -0.0333 -0.0326 32  VAL   A O   
522  C CB  . VAL   A 32  ? 0.1108 0.0765 0.0553 -0.0057 0.0029  -0.0032 32  VAL   A CB  
523  C CG1 . VAL   A 32  ? 0.0827 0.0879 0.0598 -0.0157 0.0016  -0.0006 32  VAL   A CG1 
524  C CG2 . VAL   A 32  ? 0.1215 0.0809 0.0541 -0.0258 -0.0176 -0.0010 32  VAL   A CG2 
534  N N   . ILE   A 33  ? 0.1386 0.0546 0.0761 -0.0033 -0.0198 -0.0066 33  ILE   A N   
535  C CA  . ILE   A 33  ? 0.1367 0.0361 0.0961 -0.0034 -0.0135 -0.0066 33  ILE   A CA  
536  C C   . ILE   A 33  ? 0.1200 0.0349 0.0649 -0.0053 -0.0050 -0.0041 33  ILE   A C   
537  O O   . ILE   A 33  ? 0.1185 0.0419 0.0586 -0.0029 -0.0005 0.0037  33  ILE   A O   
538  C CB  . ILE   A 33  ? 0.1154 0.0479 0.1293 -0.0049 -0.0180 0.0254  33  ILE   A CB  
539  C CG1 . ILE   A 33  ? 0.1307 0.0876 0.1222 -0.0050 -0.0015 0.0518  33  ILE   A CG1 
540  C CG2 . ILE   A 33  ? 0.1634 0.0724 0.1582 -0.0342 -0.0333 0.0294  33  ILE   A CG2 
541  C CD1 . ILE   A 33  ? 0.1688 0.1199 0.1235 -0.0041 -0.0066 0.0662  33  ILE   A CD1 
553  N N   . SER   A 34  ? 0.1406 0.0377 0.0760 0.0048  -0.0048 -0.0083 34  SER   A N   
554  C CA  A SER   A 34  ? 0.1072 0.0395 0.0770 -0.0049 -0.0002 0.0027  34  SER   A CA  
555  C CA  B SER   A 34  ? 0.1240 0.0401 0.0743 0.0099  -0.0005 -0.0048 34  SER   A CA  
556  C CA  C SER   A 34  ? 0.1125 0.0476 0.0771 -0.0002 -0.0072 -0.0030 34  SER   A CA  
557  C C   . SER   A 34  ? 0.1086 0.0284 0.0716 0.0058  0.0025  0.0056  34  SER   A C   
558  O O   . SER   A 34  ? 0.1090 0.0371 0.0881 0.0019  0.0027  0.0036  34  SER   A O   
559  C CB  A SER   A 34  ? 0.1661 0.0580 0.0953 0.0090  0.0236  -0.0039 34  SER   A CB  
560  C CB  B SER   A 34  ? 0.1461 0.0750 0.0786 0.0361  0.0049  -0.0239 34  SER   A CB  
561  C CB  C SER   A 34  ? 0.1094 0.0937 0.0862 0.0043  -0.0137 -0.0143 34  SER   A CB  
562  O OG  A SER   A 34  ? 0.1864 0.0869 0.1217 0.0218  0.0178  0.0184  34  SER   A OG  
563  O OG  B SER   A 34  ? 0.1515 0.1094 0.0861 0.0397  0.0014  -0.0276 34  SER   A OG  
564  O OG  C SER   A 34  ? 0.0535 0.1188 0.0974 -0.0217 -0.0264 -0.0180 34  SER   A OG  
580  N N   . SER   A 35  ? 0.1095 0.0359 0.0683 -0.0017 -0.0045 0.0120  35  SER   A N   
581  C CA  . SER   A 35  ? 0.1041 0.0404 0.0634 -0.0038 -0.0057 0.0090  35  SER   A CA  
582  C C   . SER   A 35  ? 0.0789 0.0457 0.0528 -0.0007 0.0039  0.0186  35  SER   A C   
583  O O   . SER   A 35  ? 0.1188 0.0464 0.0482 -0.0075 -0.0086 0.0012  35  SER   A O   
584  C CB  . SER   A 35  ? 0.1368 0.0563 0.0717 0.0019  -0.0015 0.0225  35  SER   A CB  
585  O OG  . SER   A 35  ? 0.1630 0.0532 0.0980 0.0030  -0.0053 0.0261  35  SER   A OG  
591  N N   . ASN   A 36  ? 0.0968 0.0329 0.0493 -0.0079 -0.0013 0.0073  36  ASN   A N   
592  C CA  . ASN   A 36  ? 0.0964 0.0251 0.0495 -0.0001 0.0054  0.0045  36  ASN   A CA  
593  C C   . ASN   A 36  ? 0.1001 0.0253 0.0378 0.0012  0.0074  -0.0006 36  ASN   A C   
594  O O   . ASN   A 36  ? 0.0954 0.0361 0.0441 0.0049  0.0141  0.0062  36  ASN   A O   
595  C CB  . ASN   A 36  ? 0.0981 0.0396 0.0501 0.0039  0.0024  0.0035  36  ASN   A CB  
596  C CG  . ASN   A 36  ? 0.1025 0.0373 0.0544 -0.0039 -0.0102 0.0076  36  ASN   A CG  
597  O OD1 . ASN   A 36  ? 0.0993 0.0650 0.0589 -0.0095 -0.0029 -0.0023 36  ASN   A OD1 
598  N ND2 . ASN   A 36  ? 0.0863 0.0851 0.0604 -0.0200 0.0035  -0.0085 36  ASN   A ND2 
605  N N   . PHE   A 37  ? 0.0954 0.0244 0.0431 -0.0006 0.0102  -0.0009 37  PHE   A N   
606  C CA  . PHE   A 37  ? 0.0881 0.0332 0.0431 0.0004  0.0100  -0.0004 37  PHE   A CA  
607  C C   . PHE   A 37  ? 0.0719 0.0356 0.0376 0.0006  0.0117  -0.0009 37  PHE   A C   
608  O O   . PHE   A 37  ? 0.0991 0.0277 0.0430 -0.0066 -0.0005 -0.0062 37  PHE   A O   
609  C CB  . PHE   A 37  ? 0.1099 0.0382 0.0383 -0.0100 0.0030  0.0066  37  PHE   A CB  
610  C CG  . PHE   A 37  ? 0.0992 0.0431 0.0360 0.0003  -0.0020 0.0097  37  PHE   A CG  
611  C CD1 . PHE   A 37  ? 0.1066 0.0392 0.0528 0.0081  -0.0077 0.0049  37  PHE   A CD1 
612  C CD2 . PHE   A 37  ? 0.1050 0.0502 0.0413 0.0034  -0.0077 0.0061  37  PHE   A CD2 
613  C CE1 . PHE   A 37  ? 0.1429 0.0646 0.0509 0.0295  -0.0099 0.0034  37  PHE   A CE1 
614  C CE2 . PHE   A 37  ? 0.1127 0.0734 0.0433 -0.0041 -0.0053 0.0083  37  PHE   A CE2 
615  C CZ  . PHE   A 37  ? 0.0953 0.0853 0.0463 0.0150  -0.0064 0.0077  37  PHE   A CZ  
625  N N   . VAL   A 38  ? 0.0992 0.0272 0.0325 0.0056  0.0071  -0.0021 38  VAL   A N   
626  C CA  . VAL   A 38  ? 0.0887 0.0254 0.0308 0.0043  0.0024  -0.0034 38  VAL   A CA  
627  C C   . VAL   A 38  ? 0.0852 0.0284 0.0255 -0.0026 -0.0047 -0.0020 38  VAL   A C   
628  O O   . VAL   A 38  ? 0.0920 0.0338 0.0363 0.0065  0.0046  -0.0018 38  VAL   A O   
629  C CB  . VAL   A 38  ? 0.0747 0.0454 0.0425 0.0006  0.0029  -0.0037 38  VAL   A CB  
630  C CG1 . VAL   A 38  ? 0.0950 0.0575 0.0417 -0.0083 -0.0082 -0.0018 38  VAL   A CG1 
631  C CG2 . VAL   A 38  ? 0.0900 0.0658 0.0613 -0.0049 -0.0109 0.0010  38  VAL   A CG2 
641  N N   . SER   A 39  ? 0.0794 0.0350 0.0236 0.0053  0.0029  -0.0004 39  SER   A N   
642  C CA  . SER   A 39  ? 0.0786 0.0324 0.0244 0.0003  0.0055  0.0009  39  SER   A CA  
643  C C   . SER   A 39  ? 0.0872 0.0251 0.0243 -0.0095 0.0018  -0.0021 39  SER   A C   
644  O O   . SER   A 39  ? 0.0766 0.0530 0.0301 -0.0011 0.0069  0.0066  39  SER   A O   
645  C CB  . SER   A 39  ? 0.0954 0.0349 0.0328 -0.0031 -0.0052 -0.0011 39  SER   A CB  
646  O OG  . SER   A 39  ? 0.1029 0.0323 0.0410 -0.0070 -0.0205 0.0042  39  SER   A OG  
652  N N   . TRP   A 40  ? 0.0588 0.0422 0.0268 0.0067  0.0056  0.0026  40  TRP   A N   
653  C CA  . TRP   A 40  ? 0.0689 0.0376 0.0269 -0.0025 -0.0013 0.0075  40  TRP   A CA  
654  C C   . TRP   A 40  ? 0.0821 0.0359 0.0208 -0.0024 0.0016  0.0015  40  TRP   A C   
655  O O   . TRP   A 40  ? 0.0681 0.0469 0.0481 -0.0014 0.0021  0.0032  40  TRP   A O   
656  C CB  . TRP   A 40  ? 0.0639 0.0470 0.0225 0.0000  0.0028  0.0033  40  TRP   A CB  
657  C CG  . TRP   A 40  ? 0.0869 0.0389 0.0257 -0.0108 0.0064  -0.0002 40  TRP   A CG  
658  C CD1 . TRP   A 40  ? 0.0621 0.0525 0.0468 -0.0047 -0.0006 -0.0021 40  TRP   A CD1 
659  C CD2 . TRP   A 40  ? 0.0905 0.0502 0.0229 -0.0032 0.0029  -0.0009 40  TRP   A CD2 
660  N NE1 . TRP   A 40  ? 0.0919 0.0495 0.0438 -0.0102 0.0130  -0.0028 40  TRP   A NE1 
661  C CE2 . TRP   A 40  ? 0.0858 0.0582 0.0274 -0.0068 0.0004  -0.0072 40  TRP   A CE2 
662  C CE3 . TRP   A 40  ? 0.0811 0.0637 0.0321 -0.0106 0.0097  -0.0012 40  TRP   A CE3 
663  C CZ2 . TRP   A 40  ? 0.1106 0.0659 0.0320 -0.0117 0.0015  -0.0115 40  TRP   A CZ2 
664  C CZ3 . TRP   A 40  ? 0.0721 0.0868 0.0384 0.0006  -0.0006 0.0027  40  TRP   A CZ3 
665  C CH2 . TRP   A 40  ? 0.0770 0.1107 0.0370 -0.0213 -0.0021 -0.0047 40  TRP   A CH2 
676  N N   . VAL   A 41  ? 0.0744 0.0359 0.0279 0.0001  -0.0072 0.0036  41  VAL   A N   
677  C CA  . VAL   A 41  ? 0.0896 0.0341 0.0361 0.0011  -0.0087 0.0073  41  VAL   A CA  
678  C C   . VAL   A 41  ? 0.0706 0.0402 0.0360 0.0002  -0.0014 0.0022  41  VAL   A C   
679  O O   . VAL   A 41  ? 0.0789 0.0580 0.0419 -0.0106 -0.0146 0.0099  41  VAL   A O   
680  C CB  . VAL   A 41  ? 0.1028 0.0385 0.0370 0.0112  -0.0152 -0.0063 41  VAL   A CB  
681  C CG1 . VAL   A 41  ? 0.1073 0.0625 0.0333 0.0016  -0.0102 -0.0092 41  VAL   A CG1 
682  C CG2 . VAL   A 41  ? 0.1027 0.0654 0.0458 0.0131  -0.0092 -0.0100 41  VAL   A CG2 
692  N N   . GLN   A 42  ? 0.0879 0.0522 0.0340 -0.0114 -0.0130 0.0084  42  GLN   A N   
693  C CA  A GLN   A 42  ? 0.1071 0.0468 0.0276 -0.0113 0.0005  0.0021  42  GLN   A CA  
694  C CA  B GLN   A 42  ? 0.0159 0.0357 0.0305 0.0046  0.0105  0.0023  42  GLN   A CA  
695  C C   . GLN   A 42  ? 0.0824 0.0458 0.0229 -0.0100 -0.0032 0.0021  42  GLN   A C   
696  O O   . GLN   A 42  ? 0.0937 0.0530 0.0429 -0.0071 -0.0173 -0.0040 42  GLN   A O   
697  C CB  A GLN   A 42  ? 0.1085 0.0952 0.0421 -0.0062 0.0007  -0.0246 42  GLN   A CB  
698  C CB  B GLN   A 42  ? 0.0563 0.0431 0.0397 -0.0236 0.0167  -0.0008 42  GLN   A CB  
699  C CG  A GLN   A 42  ? 0.0957 0.1228 0.0417 0.0009  -0.0065 -0.0078 42  GLN   A CG  
700  C CG  B GLN   A 42  ? 0.0814 0.0519 0.0377 -0.0106 0.0140  -0.0131 42  GLN   A CG  
701  C CD  A GLN   A 42  ? 0.1117 0.1788 0.0500 -0.0402 0.0011  -0.0076 42  GLN   A CD  
702  C CD  B GLN   A 42  ? 0.1095 0.0314 0.0344 0.0098  0.0179  0.0005  42  GLN   A CD  
703  O OE1 A GLN   A 42  ? 0.1294 0.2285 0.0683 -0.0658 0.0094  -0.0193 42  GLN   A OE1 
704  O OE1 B GLN   A 42  ? 0.0991 0.0798 0.0387 0.0187  0.0160  -0.0143 42  GLN   A OE1 
705  N NE2 A GLN   A 42  ? 0.1117 0.1729 0.0489 -0.0280 0.0118  -0.0115 42  GLN   A NE2 
706  N NE2 B GLN   A 42  ? 0.0571 0.0455 0.0385 0.0157  0.0239  0.0086  42  GLN   A NE2 
723  N N   . GLU   A 43  ? 0.0869 0.0549 0.0230 -0.0082 -0.0063 0.0009  43  GLU   A N   
724  C CA  . GLU   A 43  ? 0.0943 0.0384 0.0289 -0.0071 -0.0075 -0.0013 43  GLU   A CA  
725  C C   . GLU   A 43  ? 0.0914 0.0532 0.0237 -0.0094 -0.0030 -0.0016 43  GLU   A C   
726  O O   . GLU   A 43  ? 0.1173 0.0532 0.0332 -0.0108 -0.0146 0.0046  43  GLU   A O   
727  C CB  . GLU   A 43  ? 0.0877 0.0540 0.0407 -0.0067 0.0058  -0.0022 43  GLU   A CB  
728  C CG  . GLU   A 43  ? 0.0923 0.0608 0.0605 0.0017  0.0143  0.0007  43  GLU   A CG  
729  C CD  . GLU   A 43  ? 0.0970 0.0632 0.0695 -0.0068 0.0148  0.0026  43  GLU   A CD  
730  O OE1 . GLU   A 43  ? 0.1017 0.0757 0.0676 -0.0021 0.0119  -0.0024 43  GLU   A OE1 
731  O OE2 . GLU   A 43  ? 0.1101 0.0741 0.0754 -0.0087 0.0233  -0.0242 43  GLU   A OE2 
738  N N   A LYS   A 44  ? 0.1157 0.0583 0.0356 -0.0293 -0.0073 0.0091  44  LYS   A N   
739  N N   B LYS   A 44  ? 0.0869 0.1507 0.0459 -0.0360 -0.0046 0.0190  44  LYS   A N   
740  C CA  A LYS   A 44  ? 0.1147 0.0692 0.0369 -0.0171 -0.0004 0.0156  44  LYS   A CA  
741  C CA  B LYS   A 44  ? 0.1073 0.1776 0.0698 -0.0343 -0.0013 0.0303  44  LYS   A CA  
742  C C   A LYS   A 44  ? 0.1537 0.0649 0.0487 -0.0208 -0.0176 0.0139  44  LYS   A C   
743  C C   B LYS   A 44  ? 0.1684 0.1879 0.0847 0.0164  0.0039  0.0492  44  LYS   A C   
744  O O   A LYS   A 44  ? 0.2264 0.0693 0.0595 0.0198  0.0062  0.0051  44  LYS   A O   
745  O O   B LYS   A 44  ? 0.2467 0.1990 0.0857 0.0449  0.0219  0.0436  44  LYS   A O   
746  C CB  A LYS   A 44  ? 0.1720 0.0941 0.0599 -0.0419 0.0070  0.0173  44  LYS   A CB  
747  C CB  B LYS   A 44  ? 0.1229 0.1561 0.0851 -0.0238 0.0208  0.0208  44  LYS   A CB  
748  C CG  A LYS   A 44  ? 0.1452 0.1438 0.0569 0.0020  0.0282  0.0198  44  LYS   A CG  
749  C CG  B LYS   A 44  ? 0.2599 0.1683 0.0934 -0.0014 0.0504  0.0046  44  LYS   A CG  
750  C CD  A LYS   A 44  ? 0.1845 0.2363 0.0726 0.0215  0.0218  -0.0067 44  LYS   A CD  
751  C CD  B LYS   A 44  ? 0.2595 0.1446 0.1060 0.0213  0.0517  -0.0198 44  LYS   A CD  
752  C CE  A LYS   A 44  ? 0.1713 0.2121 0.0982 -0.0229 0.0336  -0.0653 44  LYS   A CE  
753  C CE  B LYS   A 44  ? 0.3103 0.1747 0.1093 -0.0106 0.0399  -0.0364 44  LYS   A CE  
754  N NZ  A LYS   A 44  ? 0.2633 0.2523 0.1114 -0.0033 0.0046  -0.0831 44  LYS   A NZ  
755  N NZ  B LYS   A 44  ? 0.3401 0.1927 0.1174 0.0067  0.0278  -0.0543 44  LYS   A NZ  
782  N N   A PRO   A 45  ? 0.2026 0.0791 0.0756 -0.0206 -0.0303 0.0232  45  PRO   A N   
783  N N   B PRO   A 45  ? 0.2384 0.1949 0.1036 0.0049  0.0017  0.0717  45  PRO   A N   
784  C CA  A PRO   A 45  ? 0.2387 0.1335 0.1069 0.0120  -0.0065 0.0578  45  PRO   A CA  
785  C CA  B PRO   A 45  ? 0.2438 0.1608 0.1145 0.0326  0.0207  0.0666  45  PRO   A CA  
786  C C   A PRO   A 45  ? 0.2969 0.2213 0.1399 0.0279  0.0211  0.0612  45  PRO   A C   
787  C C   B PRO   A 45  ? 0.1869 0.1025 0.1261 0.0320  -0.0054 0.0569  45  PRO   A C   
788  O O   A PRO   A 45  ? 0.2473 0.3638 0.1600 -0.0550 0.0253  0.1012  45  PRO   A O   
789  O O   B PRO   A 45  ? 0.2310 0.0772 0.1070 -0.0475 -0.0368 0.0113  45  PRO   A O   
790  C CB  A PRO   A 45  ? 0.2451 0.1547 0.1027 0.0346  -0.0060 0.0552  45  PRO   A CB  
791  C CB  B PRO   A 45  ? 0.2857 0.1877 0.1179 0.0357  0.0121  0.0680  45  PRO   A CB  
792  C CG  A PRO   A 45  ? 0.2596 0.1447 0.0947 -0.0128 -0.0258 0.0452  45  PRO   A CG  
793  C CG  B PRO   A 45  ? 0.3262 0.2179 0.1152 0.0130  0.0187  0.0654  45  PRO   A CG  
794  C CD  A PRO   A 45  ? 0.2289 0.1050 0.0797 -0.0069 -0.0313 0.0273  45  PRO   A CD  
795  C CD  B PRO   A 45  ? 0.2723 0.2140 0.1090 -0.0120 -0.0026 0.0755  45  PRO   A CD  
810  N N   A ASP   A 46  ? 0.3373 0.1174 0.1617 0.0671  0.0080  0.0288  46  ASP   A N   
811  N N   B ASP   A 46  ? 0.2594 0.1401 0.1476 0.0728  0.0184  0.0566  46  ASP   A N   
812  C CA  A ASP   A 46  ? 0.2957 0.1627 0.1413 0.0337  -0.0107 0.0467  46  ASP   A CA  
813  C CA  B ASP   A 46  ? 0.2419 0.0690 0.1564 -0.0019 0.0040  0.0284  46  ASP   A CA  
814  C C   A ASP   A 46  ? 0.1955 0.0783 0.0968 0.0249  -0.0062 0.0322  46  ASP   A C   
815  C C   B ASP   A 46  ? 0.1978 0.0764 0.1182 0.0047  0.0053  0.0168  46  ASP   A C   
816  O O   A ASP   A 46  ? 0.2031 0.0982 0.0776 0.0198  -0.0429 0.0152  46  ASP   A O   
817  O O   B ASP   A 46  ? 0.2180 0.1125 0.1250 -0.0227 0.0271  -0.0139 46  ASP   A O   
818  C CB  A ASP   A 46  ? 0.4294 0.1561 0.1730 -0.0156 -0.0189 0.0559  46  ASP   A CB  
819  C CB  B ASP   A 46  ? 0.3487 0.1900 0.1863 -0.0381 0.0142  0.0453  46  ASP   A CB  
820  C CG  A ASP   A 46  ? 0.5825 0.2796 0.1966 0.0133  -0.0026 0.0385  46  ASP   A CG  
821  C CG  B ASP   A 46  ? 0.4369 0.2693 0.2105 -0.0596 -0.0096 0.0443  46  ASP   A CG  
822  O OD1 A ASP   A 46  ? 0.6131 0.2964 0.2081 0.0588  -0.0044 0.0356  46  ASP   A OD1 
823  O OD1 B ASP   A 46  ? 0.4534 0.2429 0.2227 -0.0746 -0.0210 0.0415  46  ASP   A OD1 
824  O OD2 A ASP   A 46  ? 0.6487 0.3592 0.2062 0.0164  -0.0042 0.0261  46  ASP   A OD2 
825  O OD2 B ASP   A 46  ? 0.4809 0.3616 0.2191 -0.0620 -0.0065 0.0502  46  ASP   A OD2 
834  N N   . HIS   A 47  ? 0.1257 0.0982 0.0824 0.0215  -0.0261 0.0250  47  HIS   A N   
835  C CA  . HIS   A 47  ? 0.1222 0.0690 0.0779 -0.0012 -0.0114 0.0243  47  HIS   A CA  
836  C C   . HIS   A 47  ? 0.1333 0.0538 0.0518 -0.0128 -0.0044 0.0094  47  HIS   A C   
837  O O   . HIS   A 47  ? 0.1344 0.0757 0.0515 0.0062  -0.0063 0.0078  47  HIS   A O   
838  C CB  . HIS   A 47  ? 0.1658 0.0852 0.0929 -0.0046 0.0023  0.0227  47  HIS   A CB  
839  C CG  . HIS   A 47  ? 0.1422 0.0987 0.0884 0.0108  -0.0056 0.0355  47  HIS   A CG  
840  N ND1 . HIS   A 47  ? 0.1583 0.0794 0.0828 0.0162  -0.0095 0.0047  47  HIS   A ND1 
841  C CD2 . HIS   A 47  ? 0.1625 0.1199 0.1108 0.0419  0.0004  0.0276  47  HIS   A CD2 
842  C CE1 . HIS   A 47  ? 0.1550 0.1243 0.1016 0.0433  0.0033  0.0052  47  HIS   A CE1 
843  N NE2 . HIS   A 47  ? 0.1648 0.1312 0.1132 0.0260  0.0016  -0.0015 47  HIS   A NE2 
851  N N   . LEU   A 48  ? 0.1440 0.0589 0.0533 -0.0058 -0.0186 0.0145  48  LEU   A N   
852  C CA  A LEU   A 48  ? 0.1327 0.0592 0.0688 -0.0268 -0.0085 0.0102  48  LEU   A CA  
853  C CA  B LEU   A 48  ? 0.1096 0.0725 0.0579 -0.0227 -0.0297 0.0103  48  LEU   A CA  
854  C C   . LEU   A 48  ? 0.1158 0.0610 0.0437 -0.0153 -0.0115 0.0057  48  LEU   A C   
855  O O   . LEU   A 48  ? 0.1403 0.0628 0.0406 -0.0196 -0.0179 0.0065  48  LEU   A O   
856  C CB  A LEU   A 48  ? 0.1868 0.0754 0.1211 -0.0477 0.0156  0.0167  48  LEU   A CB  
857  C CB  B LEU   A 48  ? 0.1521 0.0962 0.0838 -0.0155 -0.0186 0.0277  48  LEU   A CB  
858  C CG  A LEU   A 48  ? 0.2713 0.1255 0.1644 -0.0718 0.0308  0.0163  48  LEU   A CG  
859  C CG  B LEU   A 48  ? 0.1126 0.1383 0.1038 -0.0204 0.0087  0.0462  48  LEU   A CG  
860  C CD1 A LEU   A 48  ? 0.2859 0.1448 0.1830 -0.0804 0.0385  0.0270  48  LEU   A CD1 
861  C CD1 B LEU   A 48  ? 0.1474 0.2069 0.1137 0.0305  -0.0041 0.0344  48  LEU   A CD1 
862  C CD2 A LEU   A 48  ? 0.2637 0.1720 0.1843 -0.1134 0.0013  -0.0121 48  LEU   A CD2 
863  C CD2 B LEU   A 48  ? 0.1896 0.1430 0.1111 -0.0442 0.0099  0.0520  48  LEU   A CD2 
886  N N   . PHE   A 49  ? 0.0995 0.0581 0.0315 -0.0107 -0.0142 0.0035  49  PHE   A N   
887  C CA  . PHE   A 49  ? 0.0929 0.0525 0.0285 -0.0056 -0.0132 0.0031  49  PHE   A CA  
888  C C   . PHE   A 49  ? 0.0923 0.0573 0.0485 -0.0057 -0.0174 0.0048  49  PHE   A C   
889  O O   . PHE   A 49  ? 0.0968 0.0830 0.0718 -0.0096 -0.0240 -0.0037 49  PHE   A O   
890  C CB  . PHE   A 49  ? 0.1171 0.0523 0.0344 -0.0056 -0.0184 0.0025  49  PHE   A CB  
891  C CG  . PHE   A 49  ? 0.1108 0.0614 0.0283 -0.0088 -0.0032 0.0017  49  PHE   A CG  
892  C CD1 . PHE   A 49  ? 0.1127 0.0801 0.0441 -0.0133 0.0012  -0.0020 49  PHE   A CD1 
893  C CD2 . PHE   A 49  ? 0.1190 0.0895 0.0421 -0.0079 -0.0074 -0.0073 49  PHE   A CD2 
894  C CE1 . PHE   A 49  ? 0.1494 0.0923 0.0585 -0.0294 -0.0009 -0.0003 49  PHE   A CE1 
895  C CE2 . PHE   A 49  ? 0.1646 0.0981 0.0477 0.0205  0.0125  -0.0117 49  PHE   A CE2 
896  C CZ  . PHE   A 49  ? 0.1067 0.1252 0.0559 -0.0057 0.0076  0.0100  49  PHE   A CZ  
906  N N   . THR   A 50  ? 0.0765 0.0736 0.0718 0.0021  -0.0111 -0.0119 50  THR   A N   
907  C CA  A THR   A 50  ? 0.0415 0.1121 0.1167 -0.0214 -0.0053 0.0011  50  THR   A CA  
908  C CA  B THR   A 50  ? 0.1295 0.0858 0.0919 -0.0078 -0.0041 -0.0049 50  THR   A CA  
909  C C   . THR   A 50  ? 0.0955 0.0758 0.0773 0.0140  -0.0060 -0.0092 50  THR   A C   
910  O O   . THR   A 50  ? 0.0928 0.0755 0.0804 -0.0080 -0.0247 0.0155  50  THR   A O   
911  C CB  A THR   A 50  ? 0.1154 0.1373 0.1636 -0.0304 0.0357  0.0101  50  THR   A CB  
912  C CB  B THR   A 50  ? 0.0990 0.1264 0.1030 -0.0232 0.0254  -0.0113 50  THR   A CB  
913  O OG1 A THR   A 50  ? 0.1105 0.1306 0.1872 -0.0244 0.0549  0.0074  50  THR   A OG1 
914  O OG1 B THR   A 50  ? 0.1940 0.1330 0.0975 -0.0646 0.0633  -0.0311 50  THR   A OG1 
915  C CG2 A THR   A 50  ? 0.1034 0.2011 0.1834 0.0119  0.0442  -0.0043 50  THR   A CG2 
916  C CG2 B THR   A 50  ? 0.1681 0.1387 0.1029 -0.0376 0.0322  -0.0052 50  THR   A CG2 
931  N N   . GLY   A 51  ? 0.0936 0.0748 0.0536 0.0085  -0.0253 -0.0267 51  GLY   A N   
932  C CA  . GLY   A 51  ? 0.1065 0.0789 0.0441 0.0231  -0.0215 -0.0213 51  GLY   A CA  
933  C C   . GLY   A 51  ? 0.0695 0.0761 0.0636 -0.0046 0.0008  -0.0277 51  GLY   A C   
934  O O   . GLY   A 51  ? 0.0987 0.1390 0.1233 -0.0263 0.0172  -0.0712 51  GLY   A O   
938  N N   . LEU   A 52  ? 0.0781 0.0471 0.0289 0.0022  0.0076  -0.0023 52  LEU   A N   
939  C CA  A LEU   A 52  ? 0.0983 0.0396 0.0271 -0.0091 0.0099  0.0015  52  LEU   A CA  
940  C CA  B LEU   A 52  ? 0.0525 0.0784 0.0272 0.0102  -0.0009 -0.0070 52  LEU   A CA  
941  C C   . LEU   A 52  ? 0.0866 0.0563 0.0232 -0.0066 0.0025  -0.0061 52  LEU   A C   
942  O O   . LEU   A 52  ? 0.0942 0.0649 0.0505 0.0060  0.0169  0.0014  52  LEU   A O   
943  C CB  A LEU   A 52  ? 0.1048 0.0440 0.0349 0.0049  -0.0066 0.0004  52  LEU   A CB  
944  C CB  B LEU   A 52  ? 0.1194 0.0782 0.0364 -0.0047 -0.0044 -0.0170 52  LEU   A CB  
945  C CG  A LEU   A 52  ? 0.1512 0.0476 0.0448 -0.0109 -0.0154 0.0071  52  LEU   A CG  
946  C CG  B LEU   A 52  ? 0.1557 0.0747 0.0406 0.0179  -0.0010 -0.0050 52  LEU   A CG  
947  C CD1 A LEU   A 52  ? 0.1399 0.0829 0.0487 0.0046  -0.0314 0.0074  52  LEU   A CD1 
948  C CD1 B LEU   A 52  ? 0.1715 0.0926 0.0471 0.0355  0.0019  0.0058  52  LEU   A CD1 
949  C CD2 A LEU   A 52  ? 0.1757 0.0760 0.0588 -0.0080 -0.0024 0.0216  52  LEU   A CD2 
950  C CD2 B LEU   A 52  ? 0.1719 0.0755 0.0492 0.0309  0.0133  0.0101  52  LEU   A CD2 
973  N N   . ILE   A 53  ? 0.0869 0.0448 0.0297 0.0048  0.0087  0.0021  53  ILE   A N   
974  C CA  . ILE   A 53  ? 0.0796 0.0522 0.0386 0.0021  0.0028  -0.0010 53  ILE   A CA  
975  C C   . ILE   A 53  ? 0.0760 0.0514 0.0412 -0.0014 -0.0028 0.0047  53  ILE   A C   
976  O O   . ILE   A 53  ? 0.0854 0.0463 0.0421 0.0063  0.0121  0.0017  53  ILE   A O   
977  C CB  . ILE   A 53  ? 0.0935 0.0537 0.0512 0.0005  -0.0052 0.0040  53  ILE   A CB  
978  C CG1 . ILE   A 53  ? 0.1021 0.0813 0.0530 -0.0024 -0.0118 -0.0175 53  ILE   A CG1 
979  C CG2 . ILE   A 53  ? 0.1284 0.0724 0.0713 -0.0124 -0.0276 0.0003  53  ILE   A CG2 
980  C CD1 . ILE   A 53  ? 0.1287 0.1412 0.0569 -0.0071 -0.0043 -0.0298 53  ILE   A CD1 
992  N N   . GLY   A 54  ? 0.0784 0.0549 0.0361 0.0080  0.0111  0.0035  54  GLY   A N   
993  C CA  . GLY   A 54  ? 0.0927 0.0431 0.0396 0.0113  0.0040  0.0022  54  GLY   A CA  
994  C C   . GLY   A 54  ? 0.0868 0.0599 0.0320 0.0005  0.0014  0.0011  54  GLY   A C   
995  O O   . GLY   A 54  ? 0.1063 0.0472 0.0404 0.0095  0.0156  -0.0038 54  GLY   A O   
999  N N   . GLY   A 55  ? 0.0965 0.0371 0.0395 0.0115  0.0059  -0.0022 55  GLY   A N   
1000 C CA  . GLY   A 55  ? 0.0986 0.0460 0.0462 0.0016  0.0097  -0.0046 55  GLY   A CA  
1001 C C   . GLY   A 55  ? 0.1036 0.0448 0.0534 0.0072  0.0123  -0.0005 55  GLY   A C   
1002 O O   . GLY   A 55  ? 0.1300 0.0461 0.0563 0.0185  0.0082  -0.0036 55  GLY   A O   
1006 N N   . ASN   A 56  ? 0.0802 0.0455 0.0534 0.0021  0.0080  -0.0105 56  ASN   A N   
1007 C CA  . ASN   A 56  ? 0.1015 0.0490 0.0597 0.0070  0.0085  -0.0218 56  ASN   A CA  
1008 C C   . ASN   A 56  ? 0.0913 0.0467 0.0588 0.0057  -0.0028 -0.0113 56  ASN   A C   
1009 O O   . ASN   A 56  ? 0.1141 0.0871 0.0574 0.0278  -0.0026 -0.0179 56  ASN   A O   
1010 C CB  . ASN   A 56  ? 0.1199 0.0527 0.0750 0.0024  0.0052  -0.0223 56  ASN   A CB  
1011 C CG  . ASN   A 56  ? 0.1147 0.0427 0.0816 -0.0124 0.0140  -0.0236 56  ASN   A CG  
1012 O OD1 . ASN   A 56  ? 0.1220 0.0552 0.0816 -0.0076 0.0237  -0.0296 56  ASN   A OD1 
1013 N ND2 . ASN   A 56  ? 0.1301 0.0661 0.0951 -0.0073 0.0222  -0.0036 56  ASN   A ND2 
1020 N N   . LYS   A 57  ? 0.0940 0.0645 0.0511 0.0151  -0.0016 -0.0092 57  LYS   A N   
1021 C CA  . LYS   A 57  ? 0.1158 0.0733 0.0564 0.0230  0.0122  -0.0210 57  LYS   A CA  
1022 C C   . LYS   A 57  ? 0.1081 0.0795 0.0488 0.0162  0.0102  -0.0077 57  LYS   A C   
1023 O O   . LYS   A 57  ? 0.1143 0.1361 0.0482 0.0336  0.0108  -0.0176 57  LYS   A O   
1024 C CB  . LYS   A 57  ? 0.1106 0.0988 0.1044 0.0176  0.0217  -0.0316 57  LYS   A CB  
1025 C CG  . LYS   A 57  ? 0.2426 0.0899 0.1438 0.0605  0.0203  -0.0070 57  LYS   A CG  
1026 C CD  . LYS   A 57  ? 0.3564 0.1566 0.1936 0.0922  0.0164  -0.0027 57  LYS   A CD  
1027 C CE  . LYS   A 57  ? 0.5009 0.2387 0.2306 0.1200  -0.0116 -0.0030 57  LYS   A CE  
1028 N NZ  . LYS   A 57  ? 0.6143 0.3151 0.2524 0.1421  -0.0187 0.0141  57  LYS   A NZ  
1042 N N   . ASN   A 58  ? 0.0986 0.0780 0.0511 0.0193  0.0184  0.0001  58  ASN   A N   
1043 C CA  . ASN   A 58  ? 0.0833 0.0837 0.0657 0.0224  0.0148  0.0047  58  ASN   A CA  
1044 C C   . ASN   A 58  ? 0.0908 0.0812 0.0615 0.0177  -0.0009 -0.0005 58  ASN   A C   
1045 O O   . ASN   A 58  ? 0.1163 0.0712 0.0638 0.0153  0.0260  0.0093  58  ASN   A O   
1046 C CB  . ASN   A 58  ? 0.1019 0.0750 0.0704 0.0235  -0.0042 0.0013  58  ASN   A CB  
1047 C CG  . ASN   A 58  ? 0.1405 0.0948 0.0962 0.0455  0.0007  0.0023  58  ASN   A CG  
1048 O OD1 . ASN   A 58  ? 0.2048 0.1062 0.1190 0.0731  0.0120  0.0051  58  ASN   A OD1 
1049 N ND2 . ASN   A 58  ? 0.1880 0.0889 0.1032 0.0191  0.0225  0.0135  58  ASN   A ND2 
1056 N N   . ARG   A 59  ? 0.0945 0.1075 0.0487 0.0216  0.0180  0.0084  59  ARG   A N   
1057 C CA  . ARG   A 59  ? 0.1023 0.1113 0.0547 0.0158  0.0099  0.0153  59  ARG   A CA  
1058 C C   . ARG   A 59  ? 0.1072 0.1218 0.0549 0.0122  -0.0033 0.0096  59  ARG   A C   
1059 O O   . ARG   A 59  ? 0.1119 0.1665 0.0916 0.0292  -0.0085 -0.0004 59  ARG   A O   
1060 C CB  . ARG   A 59  ? 0.1247 0.1293 0.0572 0.0031  0.0192  0.0026  59  ARG   A CB  
1061 C CG  . ARG   A 59  ? 0.1094 0.1604 0.0490 -0.0159 0.0030  0.0174  59  ARG   A CG  
1062 C CD  . ARG   A 59  ? 0.1659 0.1931 0.0668 -0.0577 -0.0029 0.0268  59  ARG   A CD  
1063 N NE  . ARG   A 59  ? 0.1289 0.1821 0.0723 -0.0001 0.0085  0.0178  59  ARG   A NE  
1064 C CZ  . ARG   A 59  ? 0.1226 0.1642 0.0821 0.0255  0.0126  0.0204  59  ARG   A CZ  
1065 N NH1 . ARG   A 59  ? 0.1381 0.2202 0.0984 0.0138  -0.0137 -0.0014 59  ARG   A NH1 
1066 N NH2 . ARG   A 59  ? 0.1623 0.1894 0.1224 0.0038  -0.0239 0.0147  59  ARG   A NH2 
1080 N N   A ALA   A 60  ? 0.0926 0.1310 0.0478 0.0078  -0.0018 -0.0138 60  ALA   A N   
1081 N N   B ALA   A 60  ? 0.1092 0.1281 0.0557 -0.0112 -0.0149 0.0203  60  ALA   A N   
1082 C CA  A ALA   A 60  ? 0.1388 0.1886 0.0612 0.0160  -0.0059 -0.0323 60  ALA   A CA  
1083 C CA  B ALA   A 60  ? 0.1291 0.1342 0.0603 -0.0068 -0.0289 0.0225  60  ALA   A CA  
1084 C C   A ALA   A 60  ? 0.1273 0.2052 0.0780 -0.0147 -0.0061 -0.0482 60  ALA   A C   
1085 C C   B ALA   A 60  ? 0.1079 0.1341 0.0669 -0.0189 -0.0389 0.0278  60  ALA   A C   
1086 O O   A ALA   A 60  ? 0.1076 0.2348 0.0752 -0.0381 -0.0083 -0.0324 60  ALA   A O   
1087 O O   B ALA   A 60  ? 0.1068 0.1572 0.0692 -0.0067 -0.0310 0.0371  60  ALA   A O   
1088 C CB  A ALA   A 60  ? 0.1256 0.1875 0.0652 0.0273  0.0061  -0.0384 60  ALA   A CB  
1089 C CB  B ALA   A 60  ? 0.1470 0.1458 0.0608 0.0042  -0.0275 0.0181  60  ALA   A CB  
1100 N N   A PRO   A 61  ? 0.1315 0.1941 0.1227 0.0134  -0.0268 -0.0319 61  PRO   A N   
1101 N N   B PRO   A 61  ? 0.1029 0.0961 0.0740 -0.0305 -0.0357 0.0379  61  PRO   A N   
1102 C CA  A PRO   A 61  ? 0.1221 0.2424 0.1432 0.0216  -0.0316 -0.0222 61  PRO   A CA  
1103 C CA  B PRO   A 61  ? 0.0737 0.0827 0.0739 -0.0281 -0.0345 0.0383  61  PRO   A CA  
1104 C C   A PRO   A 61  ? 0.1070 0.1965 0.1259 -0.0116 -0.0221 -0.0423 61  PRO   A C   
1105 C C   B PRO   A 61  ? 0.0916 0.0623 0.0612 -0.0010 -0.0219 0.0307  61  PRO   A C   
1106 O O   A PRO   A 61  ? 0.1667 0.1945 0.1148 0.0070  -0.0080 -0.0648 61  PRO   A O   
1107 O O   B PRO   A 61  ? 0.0740 0.0416 0.0418 -0.0253 -0.0160 0.0158  61  PRO   A O   
1108 C CB  A PRO   A 61  ? 0.1462 0.3424 0.1625 -0.0014 -0.0474 -0.0189 61  PRO   A CB  
1109 C CB  B PRO   A 61  ? 0.0901 0.0864 0.0842 -0.0276 -0.0393 0.0422  61  PRO   A CB  
1110 C CG  A PRO   A 61  ? 0.2179 0.3425 0.1654 -0.0236 -0.0514 0.0009  61  PRO   A CG  
1111 C CG  B PRO   A 61  ? 0.1424 0.1272 0.0847 -0.0304 -0.0439 0.0425  61  PRO   A CG  
1112 C CD  A PRO   A 61  ? 0.1461 0.2291 0.1476 0.0248  -0.0708 -0.0008 61  PRO   A CD  
1113 C CD  B PRO   A 61  ? 0.1458 0.1364 0.0834 -0.0321 -0.0413 0.0393  61  PRO   A CD  
1128 N N   A GLY   A 62  ? 0.1065 0.2562 0.1304 -0.0445 0.0098  -0.0471 62  GLY   A N   
1129 N N   B GLY   A 62  ? 0.1275 0.0718 0.0703 -0.0047 -0.0116 0.0375  62  GLY   A N   
1130 C CA  A GLY   A 62  ? 0.1563 0.2605 0.1040 -0.1004 0.0096  -0.0423 62  GLY   A CA  
1131 C CA  B GLY   A 62  ? 0.1671 0.0884 0.0639 -0.0114 -0.0160 0.0302  62  GLY   A CA  
1132 C C   A GLY   A 62  ? 0.1389 0.2246 0.0805 -0.0781 0.0192  -0.0399 62  GLY   A C   
1133 C C   B GLY   A 62  ? 0.1467 0.0958 0.0567 0.0209  -0.0145 0.0265  62  GLY   A C   
1134 O O   A GLY   A 62  ? 0.2186 0.2660 0.1084 -0.1383 0.0350  -0.0391 62  GLY   A O   
1135 O O   B GLY   A 62  ? 0.2064 0.1290 0.0668 0.0152  -0.0166 0.0290  62  GLY   A O   
1142 N N   A VAL   A 63  ? 0.1109 0.1749 0.0620 -0.0689 0.0175  -0.0251 63  VAL   A N   
1143 N N   B VAL   A 63  ? 0.0742 0.0640 0.0492 0.0318  -0.0103 0.0130  63  VAL   A N   
1144 C CA  A VAL   A 63  ? 0.1095 0.1205 0.0529 -0.0233 0.0223  -0.0124 63  VAL   A CA  
1145 C CA  B VAL   A 63  ? 0.0638 0.0610 0.0387 0.0314  -0.0040 0.0107  63  VAL   A CA  
1146 C C   A VAL   A 63  ? 0.1011 0.1089 0.0455 -0.0320 0.0182  -0.0145 63  VAL   A C   
1147 C C   B VAL   A 63  ? 0.0253 0.0306 0.0259 0.0099  -0.0004 0.0051  63  VAL   A C   
1148 O O   A VAL   A 63  ? 0.1009 0.1202 0.0427 -0.0219 0.0031  -0.0097 63  VAL   A O   
1149 O O   B VAL   A 63  ? 0.0660 0.0571 0.0283 0.0343  0.0117  0.0088  63  VAL   A O   
1150 C CB  A VAL   A 63  ? 0.1071 0.1275 0.0432 -0.0285 0.0121  -0.0201 63  VAL   A CB  
1151 C CB  B VAL   A 63  ? 0.1341 0.1301 0.0479 0.0297  0.0034  0.0039  63  VAL   A CB  
1152 C CG1 A VAL   A 63  ? 0.0831 0.1408 0.0416 -0.0227 0.0117  -0.0142 63  VAL   A CG1 
1153 C CG1 B VAL   A 63  ? 0.1652 0.1703 0.0514 -0.0012 0.0169  0.0014  63  VAL   A CG1 
1154 C CG2 A VAL   A 63  ? 0.1151 0.2039 0.0616 -0.0223 0.0202  -0.0222 63  VAL   A CG2 
1155 C CG2 B VAL   A 63  ? 0.1382 0.1338 0.0534 0.0011  0.0000  0.0091  63  VAL   A CG2 
1174 N N   A PRO   A 64  ? 0.1119 0.1162 0.0398 -0.0157 0.0092  -0.0216 64  PRO   A N   
1175 N N   B PRO   A 64  ? 0.0230 0.0411 0.0205 0.0161  0.0013  -0.0032 64  PRO   A N   
1176 C CA  A PRO   A 64  ? 0.1013 0.1275 0.0441 -0.0244 0.0170  -0.0204 64  PRO   A CA  
1177 C CA  B PRO   A 64  ? 0.0775 0.0691 0.0210 -0.0046 -0.0052 -0.0051 64  PRO   A CA  
1178 C C   A PRO   A 64  ? 0.1306 0.1000 0.0356 -0.0153 0.0039  -0.0090 64  PRO   A C   
1179 C C   B PRO   A 64  ? 0.0702 0.0442 0.0215 0.0155  0.0052  -0.0040 64  PRO   A C   
1180 O O   A PRO   A 64  ? 0.0974 0.1253 0.0439 -0.0337 0.0187  -0.0122 64  PRO   A O   
1181 O O   B PRO   A 64  ? 0.0652 0.0295 0.0191 0.0199  0.0042  0.0013  64  PRO   A O   
1182 C CB  A PRO   A 64  ? 0.1065 0.1242 0.0527 -0.0089 0.0113  -0.0047 64  PRO   A CB  
1183 C CB  B PRO   A 64  ? 0.0810 0.0614 0.0241 0.0148  -0.0094 -0.0020 64  PRO   A CB  
1184 C CG  A PRO   A 64  ? 0.1157 0.1194 0.0564 -0.0283 0.0067  -0.0227 64  PRO   A CG  
1185 C CG  B PRO   A 64  ? 0.0569 0.0519 0.0191 -0.0026 -0.0105 -0.0068 64  PRO   A CG  
1186 C CD  A PRO   A 64  ? 0.1231 0.1162 0.0469 -0.0061 0.0083  -0.0181 64  PRO   A CD  
1187 C CD  B PRO   A 64  ? 0.0464 0.0542 0.0262 -0.0057 -0.0121 -0.0137 64  PRO   A CD  
1202 N N   A ALA   A 65  ? 0.0784 0.1092 0.0317 -0.0072 0.0105  -0.0102 65  ALA   A N   
1203 N N   B ALA   A 65  ? 0.0418 0.0418 0.0274 0.0043  0.0187  -0.0029 65  ALA   A N   
1204 C CA  A ALA   A 65  ? 0.0966 0.1057 0.0415 -0.0119 0.0074  -0.0020 65  ALA   A CA  
1205 C CA  B ALA   A 65  ? 0.0633 0.0342 0.0398 0.0126  0.0243  -0.0007 65  ALA   A CA  
1206 C C   A ALA   A 65  ? 0.0746 0.1051 0.0357 -0.0175 0.0136  -0.0021 65  ALA   A C   
1207 C C   B ALA   A 65  ? 0.0667 0.0488 0.0320 0.0036  0.0209  -0.0086 65  ALA   A C   
1208 O O   A ALA   A 65  ? 0.1212 0.1200 0.0418 -0.0121 -0.0018 0.0072  65  ALA   A O   
1209 O O   B ALA   A 65  ? 0.0136 0.0383 0.0342 0.0019  0.0070  -0.0067 65  ALA   A O   
1210 C CB  A ALA   A 65  ? 0.1024 0.1242 0.0773 -0.0153 0.0037  -0.0269 65  ALA   A CB  
1211 C CB  B ALA   A 65  ? 0.0640 0.0500 0.0482 0.0198  0.0193  -0.0112 65  ALA   A CB  
1222 N N   . ARG   A 66  ? 0.0902 0.0779 0.0306 -0.0057 0.0032  -0.0056 66  ARG   A N   
1223 C CA  . ARG   A 66  ? 0.0842 0.1000 0.0288 0.0041  0.0065  -0.0116 66  ARG   A CA  
1224 C C   . ARG   A 66  ? 0.0760 0.0789 0.0332 -0.0066 0.0027  -0.0009 66  ARG   A C   
1225 O O   . ARG   A 66  ? 0.0749 0.0962 0.0346 -0.0052 0.0034  -0.0056 66  ARG   A O   
1226 C CB  . ARG   A 66  ? 0.0852 0.0975 0.0348 -0.0100 0.0072  -0.0074 66  ARG   A CB  
1227 C CG  . ARG   A 66  ? 0.0828 0.0955 0.0370 -0.0149 -0.0064 -0.0108 66  ARG   A CG  
1228 C CD  . ARG   A 66  ? 0.0999 0.0933 0.0373 -0.0082 0.0069  0.0008  66  ARG   A CD  
1229 N NE  . ARG   A 66  ? 0.1019 0.0962 0.0432 -0.0031 0.0081  -0.0069 66  ARG   A NE  
1230 C CZ  . ARG   A 66  ? 0.0957 0.0902 0.0512 -0.0045 0.0104  -0.0036 66  ARG   A CZ  
1231 N NH1 . ARG   A 66  ? 0.1188 0.1141 0.0729 -0.0169 0.0156  -0.0158 66  ARG   A NH1 
1232 N NH2 . ARG   A 66  ? 0.1160 0.0973 0.0637 -0.0073 0.0063  -0.0007 66  ARG   A NH2 
1247 N N   . PHE   A 67  ? 0.0755 0.0891 0.0263 -0.0104 -0.0018 -0.0107 67  PHE   A N   
1248 C CA  . PHE   A 67  ? 0.0696 0.0912 0.0358 -0.0095 0.0077  -0.0053 67  PHE   A CA  
1249 C C   . PHE   A 67  ? 0.0771 0.0898 0.0412 -0.0066 0.0093  -0.0058 67  PHE   A C   
1250 O O   . PHE   A 67  ? 0.0930 0.0983 0.0627 -0.0008 -0.0143 0.0129  67  PHE   A O   
1251 C CB  . PHE   A 67  ? 0.0673 0.0961 0.0314 -0.0139 0.0042  -0.0031 67  PHE   A CB  
1252 C CG  . PHE   A 67  ? 0.0777 0.0761 0.0343 -0.0017 0.0081  -0.0084 67  PHE   A CG  
1253 C CD1 . PHE   A 67  ? 0.0830 0.1138 0.0427 -0.0069 0.0088  -0.0053 67  PHE   A CD1 
1254 C CD2 . PHE   A 67  ? 0.1207 0.0848 0.0599 -0.0056 0.0141  -0.0041 67  PHE   A CD2 
1255 C CE1 . PHE   A 67  ? 0.1309 0.1060 0.0518 0.0227  -0.0163 -0.0096 67  PHE   A CE1 
1256 C CE2 . PHE   A 67  ? 0.1308 0.1021 0.0703 -0.0125 0.0211  0.0010  67  PHE   A CE2 
1257 C CZ  . PHE   A 67  ? 0.1646 0.0879 0.0510 -0.0159 -0.0072 -0.0024 67  PHE   A CZ  
1267 N N   . SER   A 68  ? 0.0761 0.0780 0.0489 -0.0006 -0.0011 0.0022  68  SER   A N   
1268 C CA  A SER   A 68  ? 0.0527 0.0882 0.0493 -0.0064 -0.0023 0.0025  68  SER   A CA  
1269 C CA  B SER   A 68  ? 0.1076 0.0822 0.0510 0.0073  0.0070  -0.0030 68  SER   A CA  
1270 C CA  C SER   A 68  ? 0.1166 0.0752 0.0535 0.0072  0.0085  0.0017  68  SER   A CA  
1271 C C   . SER   A 68  ? 0.0922 0.0828 0.0481 -0.0107 -0.0017 -0.0025 68  SER   A C   
1272 O O   . SER   A 68  ? 0.0724 0.1938 0.0674 0.0104  0.0032  0.0461  68  SER   A O   
1273 C CB  A SER   A 68  ? 0.0863 0.0885 0.0553 -0.0092 -0.0039 0.0051  68  SER   A CB  
1274 C CB  B SER   A 68  ? 0.1144 0.1013 0.0577 0.0430  0.0208  -0.0116 68  SER   A CB  
1275 C CB  C SER   A 68  ? 0.1614 0.0801 0.0638 0.0322  0.0232  0.0023  68  SER   A CB  
1276 O OG  A SER   A 68  ? 0.1235 0.0811 0.0615 -0.0083 0.0015  -0.0016 68  SER   A OG  
1277 O OG  B SER   A 68  ? 0.1277 0.1406 0.0618 -0.0123 0.0245  -0.0100 68  SER   A OG  
1278 O OG  C SER   A 68  ? 0.1879 0.0914 0.0754 0.0102  0.0364  0.0046  68  SER   A OG  
1294 N N   . GLY   A 69  ? 0.0936 0.0822 0.0554 -0.0022 -0.0013 0.0204  69  GLY   A N   
1295 C CA  . GLY   A 69  ? 0.0859 0.0743 0.0631 0.0023  0.0074  0.0118  69  GLY   A CA  
1296 C C   . GLY   A 69  ? 0.0842 0.0826 0.0530 -0.0056 0.0167  0.0002  69  GLY   A C   
1297 O O   . GLY   A 69  ? 0.1184 0.0967 0.0691 0.0239  0.0216  0.0124  69  GLY   A O   
1301 N N   . SER   A 70  ? 0.1203 0.0595 0.0636 0.0043  0.0167  0.0013  70  SER   A N   
1302 C CA  . SER   A 70  ? 0.1258 0.0766 0.1105 -0.0030 0.0317  -0.0140 70  SER   A CA  
1303 C C   . SER   A 70  ? 0.1160 0.0495 0.0970 -0.0048 0.0251  -0.0055 70  SER   A C   
1304 O O   . SER   A 70  ? 0.1235 0.1002 0.0913 -0.0065 0.0005  0.0305  70  SER   A O   
1305 C CB  . SER   A 70  ? 0.2072 0.1808 0.1478 -0.0230 0.0702  -0.0336 70  SER   A CB  
1306 O OG  . SER   A 70  ? 0.3208 0.2669 0.1727 -0.1198 0.0836  -0.0906 70  SER   A OG  
1312 N N   . LEU   A 71  ? 0.1399 0.0587 0.1281 0.0080  0.0350  0.0013  71  LEU   A N   
1313 C CA  . LEU   A 71  ? 0.1236 0.0622 0.1072 -0.0287 0.0291  -0.0121 71  LEU   A CA  
1314 C C   . LEU   A 71  ? 0.1927 0.0608 0.1090 -0.0066 0.0404  -0.0207 71  LEU   A C   
1315 O O   . LEU   A 71  ? 0.2023 0.0841 0.1304 0.0130  0.0060  -0.0251 71  LEU   A O   
1316 C CB  . LEU   A 71  ? 0.1358 0.0707 0.1014 -0.0208 0.0101  0.0135  71  LEU   A CB  
1317 C CG  . LEU   A 71  ? 0.1444 0.0726 0.0854 -0.0144 -0.0001 -0.0036 71  LEU   A CG  
1318 C CD1 . LEU   A 71  ? 0.2276 0.1001 0.0968 -0.0169 -0.0389 0.0157  71  LEU   A CD1 
1319 C CD2 . LEU   A 71  ? 0.1220 0.0863 0.0744 0.0040  -0.0013 -0.0058 71  LEU   A CD2 
1331 N N   A ILE   A 72  ? 0.1695 0.0990 0.1064 -0.0128 0.0169  -0.0419 72  ILE   A N   
1332 N N   B ILE   A 72  ? 0.1716 0.0694 0.1015 -0.0214 0.0135  -0.0245 72  ILE   A N   
1333 C CA  A ILE   A 72  ? 0.2237 0.1150 0.1190 -0.0153 0.0105  -0.0594 72  ILE   A CA  
1334 C CA  B ILE   A 72  ? 0.1882 0.0821 0.1102 -0.0132 0.0025  -0.0457 72  ILE   A CA  
1335 C C   A ILE   A 72  ? 0.2184 0.1232 0.1315 -0.0407 0.0068  -0.0624 72  ILE   A C   
1336 C C   B ILE   A 72  ? 0.1828 0.0955 0.1195 -0.0210 0.0086  -0.0563 72  ILE   A C   
1337 O O   A ILE   A 72  ? 0.1605 0.1521 0.1251 -0.0695 0.0200  -0.0619 72  ILE   A O   
1338 O O   B ILE   A 72  ? 0.1259 0.1366 0.1146 -0.0554 0.0176  -0.0601 72  ILE   A O   
1339 C CB  A ILE   A 72  ? 0.1912 0.1743 0.1108 -0.0116 0.0109  -0.0766 72  ILE   A CB  
1340 C CB  B ILE   A 72  ? 0.2045 0.1464 0.1048 0.0120  0.0126  -0.0665 72  ILE   A CB  
1341 C CG1 A ILE   A 72  ? 0.3088 0.1495 0.1154 -0.0144 0.0239  -0.0291 72  ILE   A CG1 
1342 C CG1 B ILE   A 72  ? 0.3290 0.2429 0.1248 0.0434  0.0015  -0.0573 72  ILE   A CG1 
1343 C CG2 A ILE   A 72  ? 0.2035 0.1867 0.1123 0.0225  0.0007  -0.0788 72  ILE   A CG2 
1344 C CG2 B ILE   A 72  ? 0.2127 0.1937 0.1019 0.0166  0.0323  -0.0678 72  ILE   A CG2 
1345 C CD1 A ILE   A 72  ? 0.3184 0.1969 0.1193 0.0186  0.0397  -0.0277 72  ILE   A CD1 
1346 C CD1 B ILE   A 72  ? 0.3948 0.2696 0.1304 0.0368  -0.0060 -0.0659 72  ILE   A CD1 
1369 N N   A GLY   A 73  ? 0.2457 0.1117 0.1517 -0.0298 0.0234  -0.0557 73  GLY   A N   
1370 N N   B GLY   A 73  ? 0.2026 0.1350 0.1259 -0.0319 0.0087  -0.0706 73  GLY   A N   
1371 C CA  A GLY   A 73  ? 0.2528 0.1327 0.1629 -0.0832 0.0251  -0.0482 73  GLY   A CA  
1372 C CA  B GLY   A 73  ? 0.2264 0.1776 0.1306 -0.0654 0.0115  -0.0715 73  GLY   A CA  
1373 C C   A GLY   A 73  ? 0.2896 0.1470 0.1672 -0.0535 0.0215  -0.0410 73  GLY   A C   
1374 C C   B GLY   A 73  ? 0.2149 0.1685 0.1364 -0.0790 0.0115  -0.0638 73  GLY   A C   
1375 O O   A GLY   A 73  ? 0.4122 0.1317 0.1696 -0.0668 -0.0107 -0.0229 73  GLY   A O   
1376 O O   B GLY   A 73  ? 0.2563 0.1905 0.1351 -0.1120 0.0104  -0.0448 73  GLY   A O   
1383 N N   A ASP   A 74  ? 0.2353 0.1456 0.1634 -0.0728 0.0200  -0.0668 74  ASP   A N   
1384 N N   B ASP   A 74  ? 0.2711 0.1572 0.1438 -0.0496 0.0154  -0.0721 74  ASP   A N   
1385 C CA  A ASP   A 74  ? 0.1925 0.1495 0.1562 -0.0815 0.0211  -0.0598 74  ASP   A CA  
1386 C CA  B ASP   A 74  ? 0.2800 0.1750 0.1377 -0.0762 0.0214  -0.0652 74  ASP   A CA  
1387 C C   A ASP   A 74  ? 0.1136 0.1021 0.1149 -0.0423 0.0137  -0.0529 74  ASP   A C   
1388 C C   B ASP   A 74  ? 0.2040 0.1318 0.1195 -0.0693 0.0249  -0.0518 74  ASP   A C   
1389 O O   A ASP   A 74  ? 0.0725 0.1537 0.0807 -0.0248 -0.0018 -0.0444 74  ASP   A O   
1390 O O   B ASP   A 74  ? 0.1824 0.1024 0.1084 -0.0466 0.0156  -0.0465 74  ASP   A O   
1391 C CB  A ASP   A 74  ? 0.2203 0.1840 0.1896 -0.1160 0.0188  -0.0360 74  ASP   A CB  
1392 C CB  B ASP   A 74  ? 0.3456 0.2180 0.1572 -0.1309 0.0243  -0.0542 74  ASP   A CB  
1393 C CG  A ASP   A 74  ? 0.3723 0.2687 0.2238 -0.1679 -0.0047 -0.0281 74  ASP   A CG  
1394 C CG  B ASP   A 74  ? 0.4637 0.3116 0.1669 -0.0602 0.0004  -0.0448 74  ASP   A CG  
1395 O OD1 A ASP   A 74  ? 0.4818 0.2069 0.2326 -0.1015 -0.0039 -0.0136 74  ASP   A OD1 
1396 O OD1 B ASP   A 74  ? 0.5134 0.3989 0.1775 -0.0187 -0.0017 -0.0234 74  ASP   A OD1 
1397 O OD2 A ASP   A 74  ? 0.4385 0.3780 0.2381 -0.1627 0.0045  -0.0217 74  ASP   A OD2 
1398 O OD2 B ASP   A 74  ? 0.5423 0.3728 0.1717 -0.0057 0.0034  -0.0239 74  ASP   A OD2 
1407 N N   . LYS   A 75  ? 0.1551 0.1222 0.1137 -0.0538 0.0428  -0.0585 75  LYS   A N   
1408 C CA  A LYS   A 75  ? 0.1252 0.0885 0.1060 -0.0403 0.0224  -0.0469 75  LYS   A CA  
1409 C CA  B LYS   A 75  ? 0.1356 0.1318 0.1061 -0.0515 0.0277  -0.0517 75  LYS   A CA  
1410 C C   . LYS   A 75  ? 0.1020 0.0798 0.0719 -0.0200 0.0130  -0.0288 75  LYS   A C   
1411 O O   . LYS   A 75  ? 0.1316 0.0910 0.0993 -0.0261 -0.0011 -0.0242 75  LYS   A O   
1412 C CB  A LYS   A 75  ? 0.1082 0.1389 0.1372 -0.0249 -0.0343 -0.0302 75  LYS   A CB  
1413 C CB  B LYS   A 75  ? 0.1476 0.2055 0.1313 -0.0206 0.0084  -0.0497 75  LYS   A CB  
1414 C CG  A LYS   A 75  ? 0.1192 0.1944 0.1741 -0.0417 -0.0348 0.0096  75  LYS   A CG  
1415 C CG  B LYS   A 75  ? 0.2244 0.2436 0.1528 -0.0573 -0.0060 -0.0410 75  LYS   A CG  
1416 C CD  A LYS   A 75  ? 0.2097 0.3144 0.2045 -0.0323 -0.0183 0.0225  75  LYS   A CD  
1417 C CD  B LYS   A 75  ? 0.3079 0.2680 0.1726 -0.0737 -0.0097 -0.0326 75  LYS   A CD  
1418 C CE  A LYS   A 75  ? 0.3728 0.3711 0.2158 -0.0012 0.0155  0.0146  75  LYS   A CE  
1419 C CE  B LYS   A 75  ? 0.3020 0.2812 0.1837 -0.0592 -0.0229 -0.0155 75  LYS   A CE  
1420 N NZ  A LYS   A 75  ? 0.3871 0.3711 0.2202 -0.0049 -0.0111 0.0067  75  LYS   A NZ  
1421 N NZ  B LYS   A 75  ? 0.1863 0.2659 0.1875 -0.0402 -0.0196 -0.0088 75  LYS   A NZ  
1448 N N   . ALA   A 76  ? 0.0935 0.0837 0.0576 -0.0212 0.0158  -0.0132 76  ALA   A N   
1449 C CA  . ALA   A 76  ? 0.0960 0.0793 0.0449 -0.0107 0.0126  0.0061  76  ALA   A CA  
1450 C C   . ALA   A 76  ? 0.1010 0.0610 0.0413 -0.0140 -0.0089 -0.0041 76  ALA   A C   
1451 O O   . ALA   A 76  ? 0.0958 0.0944 0.0414 -0.0129 0.0111  0.0058  76  ALA   A O   
1452 C CB  . ALA   A 76  ? 0.1123 0.0791 0.0394 -0.0179 -0.0001 0.0034  76  ALA   A CB  
1458 N N   . VAL   A 77  ? 0.0887 0.0753 0.0366 -0.0057 0.0062  0.0018  77  VAL   A N   
1459 C CA  . VAL   A 77  ? 0.0797 0.0757 0.0351 -0.0062 0.0046  0.0004  77  VAL   A CA  
1460 C C   . VAL   A 77  ? 0.0764 0.0781 0.0440 -0.0047 0.0038  0.0048  77  VAL   A C   
1461 O O   . VAL   A 77  ? 0.0920 0.0910 0.0906 -0.0097 0.0000  0.0284  77  VAL   A O   
1462 C CB  . VAL   A 77  ? 0.1118 0.0981 0.0481 -0.0189 0.0079  -0.0108 77  VAL   A CB  
1463 C CG1 . VAL   A 77  ? 0.1259 0.1288 0.0572 -0.0179 0.0080  -0.0180 77  VAL   A CG1 
1464 C CG2 . VAL   A 77  ? 0.1533 0.1182 0.0598 -0.0298 0.0058  -0.0188 77  VAL   A CG2 
1474 N N   . LEU   A 78  ? 0.0757 0.0736 0.0363 0.0023  0.0028  0.0066  78  LEU   A N   
1475 C CA  . LEU   A 78  ? 0.0779 0.0791 0.0263 -0.0078 0.0024  0.0035  78  LEU   A CA  
1476 C C   . LEU   A 78  ? 0.0784 0.0716 0.0305 -0.0102 0.0036  -0.0027 78  LEU   A C   
1477 O O   . LEU   A 78  ? 0.0842 0.1100 0.0351 0.0102  0.0041  -0.0060 78  LEU   A O   
1478 C CB  . LEU   A 78  ? 0.0926 0.0829 0.0297 -0.0040 0.0066  0.0007  78  LEU   A CB  
1479 C CG  . LEU   A 78  ? 0.1077 0.0712 0.0396 -0.0102 0.0026  0.0016  78  LEU   A CG  
1480 C CD1 . LEU   A 78  ? 0.1234 0.1114 0.0904 -0.0347 -0.0219 0.0130  78  LEU   A CD1 
1481 C CD2 . LEU   A 78  ? 0.1469 0.0857 0.0624 -0.0170 0.0076  -0.0116 78  LEU   A CD2 
1493 N N   . THR   A 79  ? 0.0857 0.0780 0.0319 0.0000  0.0028  0.0030  79  THR   A N   
1494 C CA  . THR   A 79  ? 0.0830 0.0798 0.0349 -0.0010 0.0090  -0.0028 79  THR   A CA  
1495 C C   . THR   A 79  ? 0.0681 0.1028 0.0307 0.0005  0.0068  0.0049  79  THR   A C   
1496 O O   . THR   A 79  ? 0.0899 0.1248 0.0441 -0.0084 -0.0036 0.0294  79  THR   A O   
1497 C CB  . THR   A 79  ? 0.0796 0.1229 0.0646 -0.0124 0.0113  -0.0111 79  THR   A CB  
1498 O OG1 . THR   A 79  ? 0.1302 0.1119 0.0773 -0.0212 0.0104  -0.0171 79  THR   A OG1 
1499 C CG2 . THR   A 79  ? 0.1379 0.1135 0.0642 -0.0070 0.0142  -0.0208 79  THR   A CG2 
1507 N N   . ILE   A 80  ? 0.0731 0.0824 0.0302 -0.0079 0.0048  0.0030  80  ILE   A N   
1508 C CA  . ILE   A 80  ? 0.0901 0.0903 0.0311 -0.0035 -0.0005 0.0016  80  ILE   A CA  
1509 C C   . ILE   A 80  ? 0.0950 0.0781 0.0277 -0.0167 0.0074  -0.0054 80  ILE   A C   
1510 O O   . ILE   A 80  ? 0.0793 0.1050 0.0303 0.0051  -0.0046 0.0002  80  ILE   A O   
1511 C CB  . ILE   A 80  ? 0.0975 0.0851 0.0445 -0.0072 -0.0129 0.0019  80  ILE   A CB  
1512 C CG1 . ILE   A 80  ? 0.1002 0.0949 0.0564 0.0089  0.0007  -0.0153 80  ILE   A CG1 
1513 C CG2 . ILE   A 80  ? 0.1347 0.0893 0.0671 -0.0086 0.0178  0.0039  80  ILE   A CG2 
1514 C CD1 . ILE   A 80  ? 0.1337 0.1066 0.0787 0.0198  -0.0164 -0.0137 80  ILE   A CD1 
1526 N N   . THR   A 81  ? 0.0858 0.0807 0.0247 0.0026  0.0048  -0.0042 81  THR   A N   
1527 C CA  A THR   A 81  ? 0.1002 0.0731 0.0346 0.0067  0.0012  -0.0092 81  THR   A CA  
1528 C CA  B THR   A 81  ? 0.0940 0.0913 0.0336 -0.0047 0.0064  -0.0024 81  THR   A CA  
1529 C C   . THR   A 81  ? 0.0661 0.0962 0.0372 -0.0007 0.0016  -0.0046 81  THR   A C   
1530 O O   . THR   A 81  ? 0.0922 0.1102 0.0557 0.0024  0.0002  0.0142  81  THR   A O   
1531 C CB  A THR   A 81  ? 0.1216 0.0923 0.0523 0.0079  0.0039  -0.0120 81  THR   A CB  
1532 C CB  B THR   A 81  ? 0.1283 0.0967 0.0381 -0.0219 0.0102  0.0009  81  THR   A CB  
1533 O OG1 A THR   A 81  ? 0.1224 0.0911 0.0707 -0.0151 0.0190  0.0001  81  THR   A OG1 
1534 O OG1 B THR   A 81  ? 0.1502 0.0941 0.0470 -0.0447 0.0114  0.0028  81  THR   A OG1 
1535 C CG2 A THR   A 81  ? 0.1168 0.1019 0.0692 0.0092  0.0133  -0.0289 81  THR   A CG2 
1536 C CG2 B THR   A 81  ? 0.1201 0.0981 0.0392 -0.0196 0.0092  0.0017  81  THR   A CG2 
1551 N N   . GLY   A 82  ? 0.0880 0.0834 0.0378 0.0043  0.0002  -0.0113 82  GLY   A N   
1552 C CA  . GLY   A 82  ? 0.0828 0.0876 0.0378 0.0057  0.0049  -0.0058 82  GLY   A CA  
1553 C C   . GLY   A 82  ? 0.0805 0.0817 0.0317 -0.0084 -0.0030 -0.0032 82  GLY   A C   
1554 O O   . GLY   A 82  ? 0.1017 0.0980 0.0352 0.0034  -0.0004 -0.0099 82  GLY   A O   
1558 N N   . ALA   A 83  ? 0.0696 0.0857 0.0453 -0.0019 0.0042  -0.0135 83  ALA   A N   
1559 C CA  . ALA   A 83  ? 0.0746 0.0737 0.0412 -0.0094 0.0028  -0.0054 83  ALA   A CA  
1560 C C   . ALA   A 83  ? 0.0970 0.0760 0.0278 -0.0066 0.0062  -0.0048 83  ALA   A C   
1561 O O   . ALA   A 83  ? 0.0945 0.0881 0.0279 -0.0139 0.0079  -0.0056 83  ALA   A O   
1562 C CB  . ALA   A 83  ? 0.1005 0.0879 0.0698 -0.0007 0.0124  -0.0014 83  ALA   A CB  
1568 N N   . GLN   A 84  ? 0.0838 0.0787 0.0303 -0.0139 0.0160  -0.0058 84  GLN   A N   
1569 C CA  . GLN   A 84  ? 0.0872 0.0907 0.0303 -0.0056 0.0125  -0.0081 84  GLN   A CA  
1570 C C   . GLN   A 84  ? 0.1057 0.0716 0.0390 -0.0117 0.0058  0.0008  84  GLN   A C   
1571 O O   . GLN   A 84  ? 0.0907 0.0791 0.0406 -0.0091 0.0163  0.0002  84  GLN   A O   
1572 C CB  . GLN   A 84  ? 0.0881 0.1162 0.0415 -0.0114 0.0167  -0.0094 84  GLN   A CB  
1573 C CG  . GLN   A 84  ? 0.1090 0.1172 0.0586 -0.0051 0.0049  -0.0083 84  GLN   A CG  
1574 C CD  . GLN   A 84  ? 0.0787 0.1187 0.0831 0.0105  0.0145  -0.0179 84  GLN   A CD  
1575 O OE1 . GLN   A 84  ? 0.1088 0.1531 0.0954 -0.0294 0.0300  -0.0248 84  GLN   A OE1 
1576 N NE2 . GLN   A 84  ? 0.1060 0.1372 0.0753 -0.0177 0.0251  -0.0337 84  GLN   A NE2 
1585 N N   . THR   A 85  ? 0.1047 0.0799 0.0466 -0.0119 0.0147  -0.0001 85  THR   A N   
1586 C CA  . THR   A 85  ? 0.1227 0.0764 0.0553 -0.0112 0.0175  0.0083  85  THR   A CA  
1587 C C   . THR   A 85  ? 0.1336 0.0674 0.0508 -0.0250 0.0233  0.0053  85  THR   A C   
1588 O O   . THR   A 85  ? 0.1413 0.0796 0.0586 -0.0135 0.0227  -0.0001 85  THR   A O   
1589 C CB  . THR   A 85  ? 0.1506 0.0928 0.0717 -0.0212 0.0137  0.0195  85  THR   A CB  
1590 O OG1 . THR   A 85  ? 0.2004 0.1290 0.0958 -0.0612 0.0306  0.0205  85  THR   A OG1 
1591 C CG2 . THR   A 85  ? 0.2673 0.1109 0.0748 -0.0333 0.0089  0.0131  85  THR   A CG2 
1599 N N   . GLU   A 86  ? 0.1345 0.0806 0.0503 -0.0330 0.0220  -0.0060 86  GLU   A N   
1600 C CA  A GLU   A 86  ? 0.1212 0.0917 0.0489 -0.0076 0.0132  -0.0062 86  GLU   A CA  
1601 C CA  B GLU   A 86  ? 0.1310 0.1175 0.0641 -0.0508 0.0055  -0.0046 86  GLU   A CA  
1602 C C   . GLU   A 86  ? 0.1098 0.0986 0.0485 -0.0144 0.0181  -0.0070 86  GLU   A C   
1603 O O   . GLU   A 86  ? 0.1442 0.1138 0.0493 -0.0423 0.0141  -0.0181 86  GLU   A O   
1604 C CB  A GLU   A 86  ? 0.1237 0.1349 0.0596 -0.0480 0.0070  -0.0066 86  GLU   A CB  
1605 C CB  B GLU   A 86  ? 0.1667 0.1640 0.0995 -0.0988 -0.0035 -0.0022 86  GLU   A CB  
1606 C CG  A GLU   A 86  ? 0.0905 0.1442 0.0716 -0.0306 0.0192  -0.0064 86  GLU   A CG  
1607 C CG  B GLU   A 86  ? 0.2329 0.2028 0.1359 -0.0553 -0.0015 -0.0241 86  GLU   A CG  
1608 C CD  A GLU   A 86  ? 0.1601 0.2110 0.0985 -0.0505 0.0056  -0.0248 86  GLU   A CD  
1609 C CD  B GLU   A 86  ? 0.2610 0.1922 0.1715 -0.0642 0.0002  -0.0261 86  GLU   A CD  
1610 O OE1 A GLU   A 86  ? 0.1162 0.2109 0.1257 -0.0306 0.0521  -0.0376 86  GLU   A OE1 
1611 O OE1 B GLU   A 86  ? 0.2615 0.2477 0.1896 -0.0511 -0.0283 -0.0172 86  GLU   A OE1 
1612 O OE2 A GLU   A 86  ? 0.1304 0.2534 0.1254 0.0061  0.0331  -0.0344 86  GLU   A OE2 
1613 O OE2 B GLU   A 86  ? 0.2254 0.1788 0.1837 -0.0917 0.0322  -0.0549 86  GLU   A OE2 
1626 N N   . ASP   A 87  ? 0.1172 0.0652 0.0426 -0.0271 0.0085  -0.0087 87  ASP   A N   
1627 C CA  . ASP   A 87  ? 0.0934 0.0791 0.0331 -0.0164 0.0129  -0.0023 87  ASP   A CA  
1628 C C   . ASP   A 87  ? 0.0910 0.0752 0.0341 -0.0134 0.0125  -0.0093 87  ASP   A C   
1629 O O   . ASP   A 87  ? 0.1112 0.0678 0.0432 -0.0129 0.0243  0.0028  87  ASP   A O   
1630 C CB  . ASP   A 87  ? 0.0995 0.0654 0.0375 -0.0087 0.0171  0.0008  87  ASP   A CB  
1631 C CG  . ASP   A 87  ? 0.1052 0.0813 0.0304 -0.0146 0.0121  -0.0025 87  ASP   A CG  
1632 O OD1 . ASP   A 87  ? 0.1220 0.1002 0.0370 0.0084  0.0071  -0.0089 87  ASP   A OD1 
1633 O OD2 . ASP   A 87  ? 0.1070 0.0809 0.0368 0.0023  0.0135  -0.0040 87  ASP   A OD2 
1638 N N   . GLU   A 88  ? 0.1051 0.0627 0.0389 -0.0157 0.0188  0.0027  88  GLU   A N   
1639 C CA  . GLU   A 88  ? 0.0995 0.0615 0.0452 -0.0055 0.0160  0.0032  88  GLU   A CA  
1640 C C   . GLU   A 88  ? 0.1277 0.0613 0.0413 -0.0127 0.0067  -0.0028 88  GLU   A C   
1641 O O   . GLU   A 88  ? 0.1273 0.0894 0.0572 -0.0329 0.0113  -0.0220 88  GLU   A O   
1642 C CB  . GLU   A 88  ? 0.1460 0.0652 0.0520 -0.0132 0.0150  -0.0045 88  GLU   A CB  
1643 C CG  . GLU   A 88  ? 0.1169 0.0743 0.0776 0.0004  0.0094  -0.0012 88  GLU   A CG  
1644 C CD  . GLU   A 88  ? 0.1964 0.0705 0.0944 0.0178  0.0010  0.0003  88  GLU   A CD  
1645 O OE1 . GLU   A 88  ? 0.1726 0.0952 0.0835 -0.0035 0.0001  0.0176  88  GLU   A OE1 
1646 O OE2 . GLU   A 88  ? 0.3655 0.0971 0.1225 0.0303  -0.0279 0.0013  88  GLU   A OE2 
1653 N N   . ALA   A 89  ? 0.0970 0.0709 0.0325 -0.0175 0.0093  -0.0081 89  ALA   A N   
1654 C CA  . ALA   A 89  ? 0.1031 0.0601 0.0328 -0.0096 0.0022  -0.0050 89  ALA   A CA  
1655 C C   . ALA   A 89  ? 0.0914 0.0520 0.0336 -0.0043 -0.0077 -0.0028 89  ALA   A C   
1656 O O   . ALA   A 89  ? 0.1029 0.0863 0.0318 -0.0202 -0.0038 -0.0102 89  ALA   A O   
1657 C CB  . ALA   A 89  ? 0.0967 0.0794 0.0394 -0.0023 -0.0049 -0.0180 89  ALA   A CB  
1663 N N   . ILE   A 90  ? 0.0932 0.0569 0.0243 -0.0077 -0.0028 -0.0036 90  ILE   A N   
1664 C CA  . ILE   A 90  ? 0.0558 0.0645 0.0361 -0.0040 0.0023  -0.0034 90  ILE   A CA  
1665 C C   . ILE   A 90  ? 0.0971 0.0399 0.0292 -0.0042 0.0029  0.0031  90  ILE   A C   
1666 O O   . ILE   A 90  ? 0.1121 0.0590 0.0596 -0.0131 -0.0424 0.0051  90  ILE   A O   
1667 C CB  . ILE   A 90  ? 0.0957 0.0609 0.0559 0.0030  -0.0065 -0.0092 90  ILE   A CB  
1668 C CG1 . ILE   A 90  ? 0.1460 0.0904 0.1034 0.0282  0.0253  0.0008  90  ILE   A CG1 
1669 C CG2 . ILE   A 90  ? 0.1165 0.1043 0.0503 -0.0039 0.0129  -0.0038 90  ILE   A CG2 
1670 C CD1 . ILE   A 90  ? 0.2238 0.1226 0.1444 0.0278  0.0269  -0.0058 90  ILE   A CD1 
1682 N N   . TYR   A 91  ? 0.0701 0.0534 0.0198 -0.0040 -0.0062 0.0066  91  TYR   A N   
1683 C CA  . TYR   A 91  ? 0.0885 0.0457 0.0237 -0.0122 -0.0034 0.0039  91  TYR   A CA  
1684 C C   . TYR   A 91  ? 0.0716 0.0460 0.0223 -0.0021 0.0036  0.0026  91  TYR   A C   
1685 O O   . TYR   A 91  ? 0.0638 0.0855 0.0270 -0.0094 -0.0012 0.0121  91  TYR   A O   
1686 C CB  . TYR   A 91  ? 0.0793 0.0555 0.0276 0.0030  0.0044  0.0023  91  TYR   A CB  
1687 C CG  . TYR   A 91  ? 0.0804 0.0534 0.0241 -0.0074 0.0057  -0.0008 91  TYR   A CG  
1688 C CD1 . TYR   A 91  ? 0.0683 0.0665 0.0259 -0.0075 0.0036  -0.0007 91  TYR   A CD1 
1689 C CD2 . TYR   A 91  ? 0.0905 0.0758 0.0275 0.0071  0.0075  0.0091  91  TYR   A CD2 
1690 C CE1 . TYR   A 91  ? 0.1058 0.0514 0.0270 -0.0107 0.0005  -0.0010 91  TYR   A CE1 
1691 C CE2 . TYR   A 91  ? 0.0863 0.0970 0.0313 0.0115  0.0066  0.0039  91  TYR   A CE2 
1692 C CZ  . TYR   A 91  ? 0.0682 0.0778 0.0257 -0.0085 0.0091  0.0025  91  TYR   A CZ  
1693 O OH  . TYR   A 91  ? 0.0905 0.1074 0.0370 0.0040  0.0111  0.0087  91  TYR   A OH  
1703 N N   A PHE   A 92  ? 0.0545 0.0566 0.0214 -0.0033 -0.0017 0.0025  92  PHE   A N   
1704 N N   B PHE   A 92  ? 0.0612 0.0556 0.0261 -0.0014 0.0022  0.0009  92  PHE   A N   
1705 C CA  A PHE   A 92  ? 0.0668 0.0554 0.0194 -0.0026 -0.0006 0.0097  92  PHE   A CA  
1706 C CA  B PHE   A 92  ? 0.0676 0.0558 0.0297 -0.0049 0.0007  0.0009  92  PHE   A CA  
1707 C C   A PHE   A 92  ? 0.0578 0.0535 0.0197 0.0055  -0.0065 0.0031  92  PHE   A C   
1708 C C   B PHE   A 92  ? 0.0749 0.0555 0.0323 -0.0026 0.0011  0.0054  92  PHE   A C   
1709 O O   A PHE   A 92  ? 0.0717 0.0551 0.0494 -0.0023 -0.0035 0.0118  92  PHE   A O   
1710 O O   B PHE   A 92  ? 0.0890 0.0496 0.0313 0.0100  -0.0001 0.0124  92  PHE   A O   
1711 C CB  A PHE   A 92  ? 0.0835 0.0568 0.0211 -0.0023 0.0020  0.0017  92  PHE   A CB  
1712 C CB  B PHE   A 92  ? 0.0782 0.0552 0.0311 -0.0058 -0.0019 -0.0036 92  PHE   A CB  
1713 C CG  A PHE   A 92  ? 0.0868 0.0453 0.0221 0.0006  0.0020  -0.0028 92  PHE   A CG  
1714 C CG  B PHE   A 92  ? 0.0911 0.0553 0.0327 -0.0039 -0.0039 -0.0066 92  PHE   A CG  
1715 C CD1 A PHE   A 92  ? 0.0955 0.0554 0.0383 -0.0076 -0.0100 -0.0009 92  PHE   A CD1 
1716 C CD1 B PHE   A 92  ? 0.1106 0.0564 0.0337 -0.0029 -0.0046 -0.0074 92  PHE   A CD1 
1717 C CD2 A PHE   A 92  ? 0.0935 0.0499 0.0356 0.0045  0.0065  -0.0133 92  PHE   A CD2 
1718 C CD2 B PHE   A 92  ? 0.0991 0.0567 0.0339 0.0012  -0.0050 -0.0096 92  PHE   A CD2 
1719 C CE1 A PHE   A 92  ? 0.1383 0.0544 0.0453 -0.0142 -0.0016 -0.0004 92  PHE   A CE1 
1720 C CE1 B PHE   A 92  ? 0.1116 0.0606 0.0348 0.0015  -0.0050 -0.0105 92  PHE   A CE1 
1721 C CE2 A PHE   A 92  ? 0.1071 0.0797 0.0459 0.0100  -0.0030 -0.0215 92  PHE   A CE2 
1722 C CE2 B PHE   A 92  ? 0.1075 0.0592 0.0347 0.0068  -0.0046 -0.0131 92  PHE   A CE2 
1723 C CZ  A PHE   A 92  ? 0.1424 0.0566 0.0495 0.0207  -0.0177 -0.0136 92  PHE   A CZ  
1724 C CZ  B PHE   A 92  ? 0.1197 0.0604 0.0355 0.0025  -0.0046 -0.0127 92  PHE   A CZ  
1743 N N   A CYS   A 93  ? 0.0711 0.0410 0.0282 -0.0047 -0.0019 0.0142  93  CYS   A N   
1744 N N   B CYS   A 93  ? 0.0786 0.0542 0.0369 -0.0004 0.0005  0.0062  93  CYS   A N   
1745 C CA  A CYS   A 93  ? 0.0724 0.0506 0.0321 -0.0006 0.0089  0.0059  93  CYS   A CA  
1746 C CA  B CYS   A 93  ? 0.0901 0.0617 0.0412 0.0099  -0.0027 0.0058  93  CYS   A CA  
1747 C C   A CYS   A 93  ? 0.0554 0.0501 0.0258 0.0029  0.0073  -0.0001 93  CYS   A C   
1748 C C   B CYS   A 93  ? 0.0793 0.0574 0.0380 0.0102  0.0014  0.0064  93  CYS   A C   
1749 O O   A CYS   A 93  ? 0.0948 0.0679 0.0287 0.0187  0.0094  0.0081  93  CYS   A O   
1750 O O   B CYS   A 93  ? 0.0519 0.0692 0.0379 0.0097  0.0039  0.0104  93  CYS   A O   
1751 C CB  A CYS   A 93  ? 0.0852 0.0537 0.0382 -0.0046 0.0154  -0.0021 93  CYS   A CB  
1752 C CB  B CYS   A 93  ? 0.0535 0.0744 0.0488 0.0099  -0.0074 0.0037  93  CYS   A CB  
1753 S SG  A CYS   A 93  ? 0.0895 0.0694 0.0496 -0.0096 0.0062  -0.0028 93  CYS   A SG  
1754 S SG  B CYS   A 93  ? 0.0344 0.1061 0.0570 -0.0221 -0.0008 -0.0010 93  CYS   A SG  
1763 N N   A ALA   A 94  ? 0.0945 0.0345 0.0270 0.0084  0.0083  0.0051  94  ALA   A N   
1764 N N   B ALA   A 94  ? 0.0948 0.0393 0.0348 0.0071  0.0004  0.0035  94  ALA   A N   
1765 C CA  A ALA   A 94  ? 0.0974 0.0430 0.0272 0.0141  0.0098  0.0039  94  ALA   A CA  
1766 C CA  B ALA   A 94  ? 0.1158 0.0374 0.0319 0.0101  0.0015  0.0009  94  ALA   A CA  
1767 C C   A ALA   A 94  ? 0.0882 0.0349 0.0253 0.0058  0.0121  -0.0008 94  ALA   A C   
1768 C C   B ALA   A 94  ? 0.1022 0.0348 0.0292 0.0118  0.0039  -0.0002 94  ALA   A C   
1769 O O   A ALA   A 94  ? 0.0985 0.0395 0.0352 0.0118  0.0147  0.0060  94  ALA   A O   
1770 O O   B ALA   A 94  ? 0.0980 0.0447 0.0294 0.0174  0.0051  0.0000  94  ALA   A O   
1771 C CB  A ALA   A 94  ? 0.1616 0.0423 0.0418 -0.0091 -0.0106 0.0010  94  ALA   A CB  
1772 C CB  B ALA   A 94  ? 0.1247 0.0376 0.0324 -0.0024 0.0020  0.0002  94  ALA   A CB  
1783 N N   . LEU   A 95  ? 0.0981 0.0278 0.0274 0.0099  0.0050  -0.0011 95  LEU   A N   
1784 C CA  . LEU   A 95  ? 0.0944 0.0321 0.0263 0.0073  0.0101  -0.0012 95  LEU   A CA  
1785 C C   . LEU   A 95  ? 0.0990 0.0340 0.0323 -0.0092 0.0163  -0.0029 95  LEU   A C   
1786 O O   . LEU   A 95  ? 0.0959 0.0411 0.0275 0.0006  0.0076  0.0037  95  LEU   A O   
1787 C CB  . LEU   A 95  ? 0.0842 0.0398 0.0400 -0.0028 -0.0001 0.0012  95  LEU   A CB  
1788 C CG  . LEU   A 95  ? 0.0817 0.0655 0.0576 0.0043  -0.0198 -0.0143 95  LEU   A CG  
1789 C CD1 . LEU   A 95  ? 0.1226 0.0821 0.0507 0.0237  -0.0213 -0.0152 95  LEU   A CD1 
1790 C CD2 . LEU   A 95  ? 0.1262 0.0839 0.0855 0.0159  -0.0304 -0.0354 95  LEU   A CD2 
1802 N N   . TRP   A 96  ? 0.0969 0.0300 0.0334 0.0076  -0.0028 0.0062  96  TRP   A N   
1803 C CA  . TRP   A 96  ? 0.1044 0.0275 0.0263 0.0026  0.0011  0.0005  96  TRP   A CA  
1804 C C   . TRP   A 96  ? 0.1081 0.0302 0.0322 0.0031  0.0014  0.0040  96  TRP   A C   
1805 O O   . TRP   A 96  ? 0.1091 0.0357 0.0436 -0.0058 0.0076  0.0025  96  TRP   A O   
1806 C CB  . TRP   A 96  ? 0.0991 0.0411 0.0360 0.0029  -0.0072 0.0057  96  TRP   A CB  
1807 C CG  . TRP   A 96  ? 0.0924 0.0450 0.0471 0.0082  -0.0072 0.0095  96  TRP   A CG  
1808 C CD1 . TRP   A 96  ? 0.1087 0.0608 0.0621 -0.0072 -0.0091 0.0048  96  TRP   A CD1 
1809 C CD2 . TRP   A 96  ? 0.0804 0.0544 0.0337 0.0102  -0.0007 0.0038  96  TRP   A CD2 
1810 N NE1 . TRP   A 96  ? 0.1365 0.0723 0.0496 0.0098  -0.0077 0.0224  96  TRP   A NE1 
1811 C CE2 . TRP   A 96  ? 0.0989 0.0674 0.0402 -0.0013 -0.0060 0.0137  96  TRP   A CE2 
1812 C CE3 . TRP   A 96  ? 0.0906 0.0602 0.0301 0.0049  0.0021  0.0065  96  TRP   A CE3 
1813 C CZ2 . TRP   A 96  ? 0.1095 0.1028 0.0307 0.0057  -0.0075 0.0110  96  TRP   A CZ2 
1814 C CZ3 . TRP   A 96  ? 0.0882 0.0764 0.0411 -0.0001 -0.0034 -0.0063 96  TRP   A CZ3 
1815 C CH2 . TRP   A 96  ? 0.1170 0.0956 0.0415 -0.0091 -0.0062 -0.0118 96  TRP   A CH2 
1826 N N   . TYR   A 97  ? 0.1042 0.0401 0.0351 -0.0091 0.0118  0.0019  97  TYR   A N   
1827 C CA  . TYR   A 97  ? 0.1195 0.0558 0.0394 -0.0042 -0.0025 0.0054  97  TYR   A CA  
1828 C C   . TYR   A 97  ? 0.1272 0.0502 0.0495 -0.0025 0.0257  0.0051  97  TYR   A C   
1829 O O   . TYR   A 97  ? 0.1237 0.0966 0.0570 -0.0049 -0.0025 0.0028  97  TYR   A O   
1830 C CB  . TYR   A 97  ? 0.1479 0.0747 0.0441 -0.0051 0.0036  0.0053  97  TYR   A CB  
1831 C CG  . TYR   A 97  ? 0.0720 0.0878 0.0582 -0.0167 0.0079  -0.0062 97  TYR   A CG  
1832 C CD1 . TYR   A 97  ? 0.1470 0.0756 0.0543 -0.0225 -0.0004 0.0121  97  TYR   A CD1 
1833 C CD2 . TYR   A 97  ? 0.1373 0.0669 0.0715 -0.0309 -0.0020 0.0084  97  TYR   A CD2 
1834 C CE1 . TYR   A 97  ? 0.1449 0.0734 0.0667 -0.0343 -0.0186 0.0147  97  TYR   A CE1 
1835 C CE2 . TYR   A 97  ? 0.1376 0.0777 0.0782 -0.0274 -0.0071 0.0163  97  TYR   A CE2 
1836 C CZ  . TYR   A 97  ? 0.1353 0.0729 0.0636 -0.0191 -0.0025 0.0155  97  TYR   A CZ  
1837 O OH  . TYR   A 97  ? 0.1682 0.0901 0.0623 -0.0222 -0.0101 0.0233  97  TYR   A OH  
1847 N N   . SER   A 98  ? 0.1466 0.0609 0.0631 0.0063  0.0136  0.0141  98  SER   A N   
1848 C CA  A SER   A 98  ? 0.1857 0.0706 0.0766 -0.0015 -0.0151 0.0259  98  SER   A CA  
1849 C CA  B SER   A 98  ? 0.1803 0.0811 0.0696 0.0002  -0.0135 0.0284  98  SER   A CA  
1850 C C   . SER   A 98  ? 0.1510 0.0813 0.0686 -0.0029 -0.0076 0.0362  98  SER   A C   
1851 O O   . SER   A 98  ? 0.1866 0.1036 0.0924 0.0245  -0.0202 0.0420  98  SER   A O   
1852 C CB  A SER   A 98  ? 0.2117 0.1104 0.1056 -0.0585 -0.0017 0.0361  98  SER   A CB  
1853 C CB  B SER   A 98  ? 0.2045 0.1127 0.0855 -0.0352 -0.0220 0.0405  98  SER   A CB  
1854 O OG  A SER   A 98  ? 0.2858 0.1201 0.1174 -0.0501 0.0134  0.0340  98  SER   A OG  
1855 O OG  B SER   A 98  ? 0.2546 0.1227 0.0896 -0.0495 -0.0377 0.0311  98  SER   A OG  
1866 N N   . ASN   A 99  ? 0.1296 0.0643 0.0565 0.0065  -0.0044 0.0250  99  ASN   A N   
1867 C CA  . ASN   A 99  ? 0.1300 0.0820 0.0455 -0.0192 -0.0086 0.0223  99  ASN   A CA  
1868 C C   . ASN   A 99  ? 0.1191 0.0638 0.0399 -0.0090 0.0036  0.0034  99  ASN   A C   
1869 O O   . ASN   A 99  ? 0.1519 0.0835 0.0383 -0.0084 -0.0023 0.0010  99  ASN   A O   
1870 C CB  . ASN   A 99  ? 0.1867 0.1147 0.0541 -0.0034 0.0020  0.0223  99  ASN   A CB  
1871 C CG  . ASN   A 99  ? 0.1946 0.1695 0.0751 -0.0152 0.0362  0.0288  99  ASN   A CG  
1872 O OD1 . ASN   A 99  ? 0.1186 0.1918 0.0869 0.0000  0.0199  0.0321  99  ASN   A OD1 
1873 N ND2 . ASN   A 99  ? 0.2820 0.3180 0.1331 -0.0300 0.0379  0.0854  99  ASN   A ND2 
1880 N N   . HIS   A 100 ? 0.1017 0.0511 0.0306 -0.0018 0.0035  0.0073  100 HIS   A N   
1881 C CA  A HIS   A 100 ? 0.0971 0.0400 0.0316 0.0199  0.0048  0.0080  100 HIS   A CA  
1882 C CA  B HIS   A 100 ? 0.1026 0.0625 0.0438 -0.0013 0.0125  0.0049  100 HIS   A CA  
1883 C C   . HIS   A 100 ? 0.1039 0.0371 0.0359 0.0074  0.0006  -0.0026 100 HIS   A C   
1884 O O   . HIS   A 100 ? 0.1028 0.0408 0.0392 -0.0047 0.0152  0.0094  100 HIS   A O   
1885 C CB  A HIS   A 100 ? 0.1252 0.0687 0.0326 -0.0140 -0.0060 0.0017  100 HIS   A CB  
1886 C CB  B HIS   A 100 ? 0.0734 0.0623 0.0571 0.0117  0.0305  0.0001  100 HIS   A CB  
1887 C CG  A HIS   A 100 ? 0.1071 0.0342 0.0278 -0.0082 0.0053  0.0010  100 HIS   A CG  
1888 C CG  B HIS   A 100 ? 0.1201 0.0914 0.0756 0.0342  0.0331  0.0171  100 HIS   A CG  
1889 N ND1 A HIS   A 100 ? 0.1094 0.0313 0.0427 0.0014  -0.0045 -0.0037 100 HIS   A ND1 
1890 N ND1 B HIS   A 100 ? 0.1468 0.1606 0.0941 0.0300  0.0201  0.0137  100 HIS   A ND1 
1891 C CD2 A HIS   A 100 ? 0.0965 0.0602 0.0278 0.0141  0.0035  0.0091  100 HIS   A CD2 
1892 C CD2 B HIS   A 100 ? 0.0829 0.1344 0.0796 0.0199  0.0090  0.0156  100 HIS   A CD2 
1893 C CE1 A HIS   A 100 ? 0.0776 0.0518 0.0391 0.0064  -0.0026 -0.0096 100 HIS   A CE1 
1894 C CE1 B HIS   A 100 ? 0.1713 0.1652 0.0994 -0.0083 0.0305  0.0192  100 HIS   A CE1 
1895 N NE2 A HIS   A 100 ? 0.1332 0.0448 0.0393 -0.0005 -0.0096 0.0074  100 HIS   A NE2 
1896 N NE2 B HIS   A 100 ? 0.0698 0.1497 0.0890 0.0115  0.0066  -0.0033 100 HIS   A NE2 
1911 N N   . TRP   A 101 ? 0.1054 0.0302 0.0275 -0.0108 0.0038  0.0005  101 TRP   A N   
1912 C CA  . TRP   A 101 ? 0.0978 0.0312 0.0282 0.0021  0.0089  -0.0037 101 TRP   A CA  
1913 C C   . TRP   A 101 ? 0.0958 0.0277 0.0249 -0.0006 0.0070  -0.0005 101 TRP   A C   
1914 O O   . TRP   A 101 ? 0.0822 0.0550 0.0550 0.0059  -0.0023 -0.0177 101 TRP   A O   
1915 C CB  . TRP   A 101 ? 0.0964 0.0287 0.0257 -0.0079 0.0006  0.0010  101 TRP   A CB  
1916 C CG  . TRP   A 101 ? 0.0835 0.0352 0.0316 -0.0042 0.0058  -0.0002 101 TRP   A CG  
1917 C CD1 . TRP   A 101 ? 0.0939 0.0440 0.0400 -0.0054 0.0063  -0.0083 101 TRP   A CD1 
1918 C CD2 . TRP   A 101 ? 0.0855 0.0312 0.0287 -0.0096 0.0049  -0.0002 101 TRP   A CD2 
1919 N NE1 . TRP   A 101 ? 0.0823 0.0566 0.0415 -0.0082 -0.0020 -0.0109 101 TRP   A NE1 
1920 C CE2 . TRP   A 101 ? 0.0788 0.0377 0.0341 -0.0066 0.0006  0.0012  101 TRP   A CE2 
1921 C CE3 . TRP   A 101 ? 0.0913 0.0371 0.0305 -0.0159 0.0041  0.0068  101 TRP   A CE3 
1922 C CZ2 . TRP   A 101 ? 0.0761 0.0552 0.0499 0.0094  0.0053  0.0068  101 TRP   A CZ2 
1923 C CZ3 . TRP   A 101 ? 0.0845 0.0459 0.0316 -0.0057 0.0158  -0.0070 101 TRP   A CZ3 
1924 C CH2 . TRP   A 101 ? 0.0742 0.0468 0.0454 0.0012  0.0141  0.0004  101 TRP   A CH2 
1935 N N   . VAL   A 102 ? 0.0708 0.0416 0.0283 0.0091  0.0058  0.0033  102 VAL   A N   
1936 C CA  . VAL   A 102 ? 0.0860 0.0417 0.0337 0.0023  0.0101  -0.0079 102 VAL   A CA  
1937 C C   . VAL   A 102 ? 0.0754 0.0483 0.0332 -0.0014 -0.0034 -0.0085 102 VAL   A C   
1938 O O   . VAL   A 102 ? 0.0931 0.0420 0.0319 0.0066  0.0056  0.0048  102 VAL   A O   
1939 C CB  . VAL   A 102 ? 0.1000 0.0623 0.0464 -0.0098 0.0015  -0.0005 102 VAL   A CB  
1940 C CG1 . VAL   A 102 ? 0.1076 0.0957 0.0621 0.0026  0.0045  -0.0099 102 VAL   A CG1 
1941 C CG2 . VAL   A 102 ? 0.0852 0.0935 0.0550 -0.0170 0.0146  -0.0003 102 VAL   A CG2 
1951 N N   . PHE   A 103 ? 0.0914 0.0442 0.0382 0.0125  0.0062  0.0024  103 PHE   A N   
1952 C CA  A PHE   A 103 ? 0.0938 0.0477 0.0312 0.0123  0.0038  0.0056  103 PHE   A CA  
1953 C CA  B PHE   A 103 ? 0.0926 0.0565 0.0326 0.0048  -0.0060 0.0044  103 PHE   A CA  
1954 C C   . PHE   A 103 ? 0.0865 0.0619 0.0395 0.0093  0.0099  0.0050  103 PHE   A C   
1955 O O   . PHE   A 103 ? 0.0948 0.0901 0.0439 0.0171  0.0067  0.0044  103 PHE   A O   
1956 C CB  A PHE   A 103 ? 0.0915 0.0518 0.0345 0.0114  0.0049  0.0170  103 PHE   A CB  
1957 C CB  B PHE   A 103 ? 0.1444 0.0500 0.0369 0.0127  0.0041  -0.0008 103 PHE   A CB  
1958 C CG  A PHE   A 103 ? 0.1231 0.0394 0.0327 0.0243  0.0048  0.0012  103 PHE   A CG  
1959 C CG  B PHE   A 103 ? 0.1003 0.0427 0.0357 -0.0163 0.0021  -0.0115 103 PHE   A CG  
1960 C CD1 A PHE   A 103 ? 0.1018 0.0558 0.0402 0.0153  -0.0036 -0.0179 103 PHE   A CD1 
1961 C CD1 B PHE   A 103 ? 0.0973 0.1175 0.0374 -0.0046 0.0027  -0.0178 103 PHE   A CD1 
1962 C CD2 A PHE   A 103 ? 0.1215 0.0367 0.0312 0.0059  0.0006  0.0021  103 PHE   A CD2 
1963 C CD2 B PHE   A 103 ? 0.1371 0.0704 0.0374 -0.0246 0.0083  -0.0045 103 PHE   A CD2 
1964 C CE1 A PHE   A 103 ? 0.0818 0.0529 0.0423 -0.0048 -0.0023 -0.0209 103 PHE   A CE1 
1965 C CE1 B PHE   A 103 ? 0.1478 0.1106 0.0444 -0.0314 0.0132  -0.0108 103 PHE   A CE1 
1966 C CE2 A PHE   A 103 ? 0.1397 0.0632 0.0368 0.0052  -0.0111 -0.0033 103 PHE   A CE2 
1967 C CE2 B PHE   A 103 ? 0.1208 0.0662 0.0346 -0.0127 0.0163  -0.0015 103 PHE   A CE2 
1968 C CZ  A PHE   A 103 ? 0.0865 0.0531 0.0450 -0.0005 -0.0071 -0.0084 103 PHE   A CZ  
1969 C CZ  B PHE   A 103 ? 0.1221 0.0742 0.0369 -0.0087 0.0140  -0.0059 103 PHE   A CZ  
1988 N N   . GLY   A 104 ? 0.0713 0.0688 0.0409 0.0060  0.0099  0.0073  104 GLY   A N   
1989 C CA  . GLY   A 104 ? 0.1073 0.0676 0.0351 -0.0036 0.0102  -0.0023 104 GLY   A CA  
1990 C C   . GLY   A 104 ? 0.0828 0.0822 0.0362 -0.0029 0.0096  0.0132  104 GLY   A C   
1991 O O   . GLY   A 104 ? 0.0941 0.0758 0.0469 -0.0058 0.0022  0.0164  104 GLY   A O   
1995 N N   . GLY   A 105 ? 0.0896 0.0888 0.0351 0.0034  0.0022  0.0051  105 GLY   A N   
1996 C CA  . GLY   A 105 ? 0.0866 0.1036 0.0397 0.0140  0.0132  0.0023  105 GLY   A CA  
1997 C C   . GLY   A 105 ? 0.1117 0.0816 0.0379 0.0192  -0.0056 0.0076  105 GLY   A C   
1998 O O   . GLY   A 105 ? 0.1035 0.1189 0.0607 0.0282  0.0081  0.0140  105 GLY   A O   
2002 N N   . GLY   A 106 ? 0.0860 0.0912 0.0317 0.0190  0.0053  -0.0002 106 GLY   A N   
2003 C CA  . GLY   A 106 ? 0.1017 0.0950 0.0282 -0.0025 0.0123  0.0033  106 GLY   A CA  
2004 C C   . GLY   A 106 ? 0.0714 0.1037 0.0286 0.0051  0.0004  0.0054  106 GLY   A C   
2005 O O   . GLY   A 106 ? 0.0832 0.1559 0.0408 0.0125  0.0031  0.0107  106 GLY   A O   
2009 N N   . THR   A 107 ? 0.0775 0.0828 0.0228 -0.0018 -0.0053 0.0085  107 THR   A N   
2010 C CA  . THR   A 107 ? 0.0798 0.0806 0.0232 -0.0108 -0.0043 0.0014  107 THR   A CA  
2011 C C   . THR   A 107 ? 0.0809 0.0770 0.0224 0.0008  -0.0076 -0.0069 107 THR   A C   
2012 O O   . THR   A 107 ? 0.0860 0.0786 0.0302 -0.0133 -0.0136 0.0066  107 THR   A O   
2013 C CB  . THR   A 107 ? 0.0888 0.0829 0.0293 -0.0062 -0.0101 0.0040  107 THR   A CB  
2014 O OG1 . THR   A 107 ? 0.1023 0.0832 0.0422 -0.0134 -0.0095 0.0070  107 THR   A OG1 
2015 C CG2 . THR   A 107 ? 0.1203 0.0884 0.0395 -0.0110 -0.0015 -0.0042 107 THR   A CG2 
2023 N N   . LYS   A 108 ? 0.0793 0.0730 0.0260 -0.0009 0.0014  0.0042  108 LYS   A N   
2024 C CA  A LYS   A 108 ? 0.1278 0.0645 0.0377 0.0229  -0.0044 0.0086  108 LYS   A CA  
2025 C CA  B LYS   A 108 ? 0.0402 0.0938 0.0321 -0.0193 0.0084  -0.0106 108 LYS   A CA  
2026 C C   . LYS   A 108 ? 0.1015 0.0688 0.0322 -0.0046 -0.0021 -0.0033 108 LYS   A C   
2027 O O   . LYS   A 108 ? 0.0908 0.1375 0.0410 -0.0127 -0.0020 -0.0212 108 LYS   A O   
2028 C CB  A LYS   A 108 ? 0.1629 0.0824 0.0747 0.0471  -0.0084 0.0186  108 LYS   A CB  
2029 C CB  B LYS   A 108 ? 0.0868 0.1111 0.0569 -0.0247 0.0183  -0.0188 108 LYS   A CB  
2030 C CG  A LYS   A 108 ? 0.1978 0.0962 0.1222 0.0392  0.0139  0.0483  108 LYS   A CG  
2031 C CG  B LYS   A 108 ? 0.1720 0.1275 0.0910 0.0539  0.0239  -0.0208 108 LYS   A CG  
2032 C CD  A LYS   A 108 ? 0.2802 0.1622 0.1598 0.0613  0.0295  0.0703  108 LYS   A CD  
2033 C CD  B LYS   A 108 ? 0.2457 0.1792 0.1211 0.0576  0.0142  -0.0164 108 LYS   A CD  
2034 C CE  A LYS   A 108 ? 0.3980 0.2323 0.1848 0.0602  0.0383  0.0560  108 LYS   A CE  
2035 C CE  B LYS   A 108 ? 0.3477 0.1937 0.1442 0.0686  0.0046  -0.0071 108 LYS   A CE  
2036 N NZ  A LYS   A 108 ? 0.4771 0.2946 0.1986 0.0441  0.0342  0.0462  108 LYS   A NZ  
2037 N NZ  B LYS   A 108 ? 0.3930 0.2315 0.1554 0.0845  -0.0138 -0.0088 108 LYS   A NZ  
2064 N N   . LEU   A 109 ? 0.0909 0.0772 0.0239 -0.0022 -0.0052 -0.0058 109 LEU   A N   
2065 C CA  . LEU   A 109 ? 0.0782 0.0589 0.0340 0.0040  -0.0064 -0.0073 109 LEU   A CA  
2066 C C   . LEU   A 109 ? 0.0729 0.0847 0.0308 0.0056  0.0047  -0.0091 109 LEU   A C   
2067 O O   . LEU   A 109 ? 0.1083 0.0762 0.0373 -0.0151 -0.0033 0.0066  109 LEU   A O   
2068 C CB  . LEU   A 109 ? 0.0997 0.0683 0.0341 0.0019  -0.0064 -0.0076 109 LEU   A CB  
2069 C CG  . LEU   A 109 ? 0.1012 0.0700 0.0448 -0.0094 -0.0023 -0.0100 109 LEU   A CG  
2070 C CD1 . LEU   A 109 ? 0.0840 0.0955 0.0649 0.0085  -0.0007 -0.0247 109 LEU   A CD1 
2071 C CD2 . LEU   A 109 ? 0.0940 0.1110 0.0530 0.0074  0.0009  -0.0154 109 LEU   A CD2 
2083 N N   . THR   A 110 ? 0.0904 0.0702 0.0302 0.0041  -0.0038 0.0073  110 THR   A N   
2084 C CA  . THR   A 110 ? 0.1136 0.0742 0.0427 0.0009  -0.0011 0.0040  110 THR   A CA  
2085 C C   . THR   A 110 ? 0.0985 0.0760 0.0378 -0.0190 -0.0018 0.0022  110 THR   A C   
2086 O O   . THR   A 110 ? 0.1309 0.0944 0.0416 -0.0267 0.0145  -0.0122 110 THR   A O   
2087 C CB  . THR   A 110 ? 0.1281 0.1178 0.0643 0.0172  0.0025  0.0397  110 THR   A CB  
2088 O OG1 . THR   A 110 ? 0.1515 0.1253 0.0874 0.0466  0.0294  0.0275  110 THR   A OG1 
2089 C CG2 . THR   A 110 ? 0.1199 0.1882 0.0868 0.0284  -0.0036 0.0475  110 THR   A CG2 
2097 N N   . VAL   A 111 ? 0.1259 0.0702 0.0435 -0.0084 0.0035  -0.0073 111 VAL   A N   
2098 C CA  . VAL   A 111 ? 0.1201 0.0758 0.0406 -0.0211 -0.0035 -0.0041 111 VAL   A CA  
2099 C C   . VAL   A 111 ? 0.1099 0.0873 0.0523 -0.0162 0.0164  0.0050  111 VAL   A C   
2100 O O   . VAL   A 111 ? 0.1538 0.0920 0.0670 -0.0332 0.0032  0.0066  111 VAL   A O   
2101 C CB  . VAL   A 111 ? 0.1050 0.0851 0.0478 -0.0052 0.0067  -0.0053 111 VAL   A CB  
2102 C CG1 . VAL   A 111 ? 0.0981 0.1151 0.0565 -0.0025 0.0007  -0.0024 111 VAL   A CG1 
2103 C CG2 . VAL   A 111 ? 0.1136 0.1015 0.0493 0.0022  -0.0092 -0.0114 111 VAL   A CG2 
2113 N N   . LEU   A 112 ? 0.1697 0.0901 0.0465 -0.0095 -0.0089 0.0080  112 LEU   A N   
2114 C CA  . LEU   A 112 ? 0.1846 0.0934 0.0721 0.0190  0.0097  0.0238  112 LEU   A CA  
2115 C C   . LEU   A 112 ? 0.2064 0.1032 0.0967 0.0200  0.0414  0.0314  112 LEU   A C   
2116 O O   . LEU   A 112 ? 0.1980 0.1586 0.1292 0.0240  0.0596  0.0248  112 LEU   A O   
2117 C CB  . LEU   A 112 ? 0.2543 0.1178 0.0959 -0.0036 -0.0469 0.0303  112 LEU   A CB  
2118 C CG  . LEU   A 112 ? 0.1988 0.1959 0.1357 -0.0385 -0.0728 0.0679  112 LEU   A CG  
2119 C CD1 . LEU   A 112 ? 0.3343 0.2410 0.1596 -0.0443 -0.1066 0.0535  112 LEU   A CD1 
2120 C CD2 . LEU   A 112 ? 0.2114 0.2447 0.1599 -0.0065 -0.0420 0.0599  112 LEU   A CD2 
2132 N N   . GLY   A 113 ? 0.2293 0.1425 0.1366 -0.0167 0.0418  0.0529  113 GLY   A N   
2133 C CA  . GLY   A 113 ? 0.2582 0.1880 0.1660 -0.0047 0.0490  0.0808  113 GLY   A CA  
2134 C C   . GLY   A 113 ? 0.1783 0.1859 0.1929 0.0073  0.0451  0.0732  113 GLY   A C   
2135 O O   . GLY   A 113 ? 0.2038 0.2075 0.2055 0.0147  0.0444  0.0892  113 GLY   A O   
2139 N N   . GLN   A 114 ? 0.1957 0.1533 0.2089 -0.0222 0.0154  0.0622  114 GLN   A N   
2140 C CA  . GLN   A 114 ? 0.2183 0.1446 0.2273 -0.0295 0.0127  0.0532  114 GLN   A CA  
2141 C C   . GLN   A 114 ? 0.3367 0.2159 0.2563 -0.0598 -0.0027 0.0688  114 GLN   A C   
2142 O O   . GLN   A 114 ? 0.4025 0.2096 0.2651 -0.0301 0.0193  0.0681  114 GLN   A O   
2143 C CB  . GLN   A 114 ? 0.2712 0.1335 0.2140 -0.0129 -0.0016 0.0454  114 GLN   A CB  
2144 C CG  . GLN   A 114 ? 0.2053 0.1251 0.1980 -0.0151 -0.0041 0.0222  114 GLN   A CG  
2145 C CD  . GLN   A 114 ? 0.1745 0.1175 0.1796 -0.0103 -0.0197 -0.0018 114 GLN   A CD  
2146 O OE1 . GLN   A 114 ? 0.2417 0.1413 0.2177 -0.0563 -0.0330 0.0104  114 GLN   A OE1 
2147 N NE2 . GLN   A 114 ? 0.1334 0.0901 0.1391 -0.0100 0.0116  0.0093  114 GLN   A NE2 
2156 N N   . GLY   A 115 ? 0.3575 0.2820 0.2764 -0.1592 -0.0089 0.0702  115 GLY   A N   
2157 C CA  . GLY   A 115 ? 0.3838 0.3871 0.2908 -0.1340 -0.0101 0.0495  115 GLY   A CA  
2158 C C   . GLY   A 115 ? 0.4667 0.5154 0.3021 -0.0589 -0.0016 0.0291  115 GLY   A C   
2159 O O   . GLY   A 115 ? 0.4695 0.5948 0.3075 -0.0093 0.0210  0.0266  115 GLY   A O   
2163 N N   . GLY   A 128 ? 0.4948 0.5035 0.1991 -0.0257 -0.0010 0.0812  128 GLY   A N   
2164 C CA  . GLY   A 128 ? 0.3872 0.4474 0.1784 -0.0646 0.0182  0.0972  128 GLY   A CA  
2165 C C   . GLY   A 128 ? 0.2711 0.3748 0.1657 -0.0586 0.0411  0.0964  128 GLY   A C   
2166 O O   . GLY   A 128 ? 0.2613 0.4732 0.1796 -0.0645 0.0610  0.0651  128 GLY   A O   
2169 N N   . SER   A 129 ? 0.2680 0.2917 0.1324 -0.0050 -0.0189 0.0647  129 SER   A N   
2170 C CA  . SER   A 129 ? 0.1179 0.2360 0.1010 0.0129  0.0088  0.0449  129 SER   A CA  
2171 C C   . SER   A 129 ? 0.1104 0.1680 0.0751 0.0186  0.0157  0.0182  129 SER   A C   
2172 O O   . SER   A 129 ? 0.1094 0.1532 0.1060 0.0149  0.0117  0.0234  129 SER   A O   
2173 C CB  . SER   A 129 ? 0.1944 0.2975 0.1069 -0.0049 -0.0299 0.0454  129 SER   A CB  
2174 O OG  . SER   A 129 ? 0.2146 0.3070 0.1161 -0.0803 -0.0285 0.0005  129 SER   A OG  
2180 N N   . GLN   A 130 ? 0.1104 0.1682 0.0548 0.0190  0.0178  0.0050  130 GLN   A N   
2181 C CA  . GLN   A 130 ? 0.1088 0.1282 0.0493 0.0136  0.0076  -0.0035 130 GLN   A CA  
2182 C C   . GLN   A 130 ? 0.0831 0.0906 0.0508 0.0061  0.0040  -0.0108 130 GLN   A C   
2183 O O   . GLN   A 130 ? 0.0885 0.0974 0.0630 -0.0033 0.0091  -0.0146 130 GLN   A O   
2184 C CB  . GLN   A 130 ? 0.1081 0.1380 0.0629 0.0222  0.0116  -0.0113 130 GLN   A CB  
2185 C CG  . GLN   A 130 ? 0.0961 0.1064 0.0700 0.0149  0.0175  -0.0152 130 GLN   A CG  
2186 C CD  . GLN   A 130 ? 0.1052 0.1059 0.0822 0.0246  0.0147  0.0130  130 GLN   A CD  
2187 O OE1 . GLN   A 130 ? 0.0920 0.2424 0.1124 -0.0197 0.0111  0.0454  130 GLN   A OE1 
2188 N NE2 . GLN   A 130 ? 0.1019 0.1349 0.0995 0.0176  0.0037  -0.0223 130 GLN   A NE2 
2197 N N   . VAL   A 131 ? 0.0903 0.0968 0.0517 0.0016  0.0047  -0.0210 131 VAL   A N   
2198 C CA  . VAL   A 131 ? 0.0906 0.0831 0.0442 0.0069  0.0037  -0.0150 131 VAL   A CA  
2199 C C   . VAL   A 131 ? 0.1015 0.0847 0.0385 -0.0010 0.0003  -0.0058 131 VAL   A C   
2200 O O   . VAL   A 131 ? 0.0944 0.1149 0.0442 0.0157  -0.0065 -0.0122 131 VAL   A O   
2201 C CB  . VAL   A 131 ? 0.1067 0.0846 0.0446 -0.0053 -0.0002 -0.0142 131 VAL   A CB  
2202 C CG1 . VAL   A 131 ? 0.1115 0.1130 0.0479 -0.0253 -0.0033 -0.0059 131 VAL   A CG1 
2203 C CG2 . VAL   A 131 ? 0.1054 0.1080 0.0806 0.0081  -0.0051 -0.0042 131 VAL   A CG2 
2213 N N   . GLN   A 132 ? 0.0702 0.0806 0.0391 0.0078  0.0043  -0.0078 132 GLN   A N   
2214 C CA  . GLN   A 132 ? 0.0706 0.0860 0.0592 0.0047  0.0084  -0.0027 132 GLN   A CA  
2215 C C   . GLN   A 132 ? 0.0862 0.0750 0.0500 0.0101  -0.0040 -0.0171 132 GLN   A C   
2216 O O   . GLN   A 132 ? 0.0851 0.1690 0.0552 0.0131  -0.0117 -0.0280 132 GLN   A O   
2217 C CB  . GLN   A 132 ? 0.1165 0.0854 0.0903 0.0035  0.0115  0.0062  132 GLN   A CB  
2218 C CG  . GLN   A 132 ? 0.1101 0.1247 0.1356 0.0107  0.0101  0.0395  132 GLN   A CG  
2219 C CD  . GLN   A 132 ? 0.1730 0.1462 0.1829 -0.0158 0.0184  0.0414  132 GLN   A CD  
2220 O OE1 . GLN   A 132 ? 0.2181 0.1333 0.2334 -0.0161 0.0492  0.0206  132 GLN   A OE1 
2221 N NE2 . GLN   A 132 ? 0.1361 0.2041 0.1819 -0.0263 0.0117  0.0909  132 GLN   A NE2 
2230 N N   . LEU   A 133 ? 0.0727 0.0749 0.0412 0.0099  -0.0030 -0.0033 133 LEU   A N   
2231 C CA  . LEU   A 133 ? 0.0765 0.0652 0.0392 0.0238  -0.0077 0.0011  133 LEU   A CA  
2232 C C   . LEU   A 133 ? 0.0513 0.0752 0.0560 0.0006  0.0036  -0.0023 133 LEU   A C   
2233 O O   . LEU   A 133 ? 0.1124 0.0605 0.0655 0.0139  -0.0294 -0.0019 133 LEU   A O   
2234 C CB  . LEU   A 133 ? 0.0716 0.0704 0.0412 0.0049  0.0045  0.0005  133 LEU   A CB  
2235 C CG  . LEU   A 133 ? 0.1059 0.0479 0.0566 0.0165  -0.0154 -0.0107 133 LEU   A CG  
2236 C CD1 . LEU   A 133 ? 0.0890 0.0948 0.1144 0.0025  -0.0007 -0.0167 133 LEU   A CD1 
2237 C CD2 . LEU   A 133 ? 0.1065 0.0650 0.0799 0.0062  0.0220  0.0082  133 LEU   A CD2 
2249 N N   . GLN   A 134 ? 0.0846 0.0556 0.0418 0.0082  0.0070  0.0059  134 GLN   A N   
2250 C CA  . GLN   A 134 ? 0.0689 0.0684 0.0445 -0.0136 0.0058  0.0024  134 GLN   A CA  
2251 C C   . GLN   A 134 ? 0.0870 0.0454 0.0453 -0.0039 0.0082  0.0008  134 GLN   A C   
2252 O O   . GLN   A 134 ? 0.0892 0.0622 0.0421 0.0043  0.0080  0.0023  134 GLN   A O   
2253 C CB  . GLN   A 134 ? 0.0795 0.0899 0.0835 -0.0251 0.0188  0.0026  134 GLN   A CB  
2254 C CG  . GLN   A 134 ? 0.1140 0.1307 0.1508 -0.0203 0.0209  0.0065  134 GLN   A CG  
2255 C CD  . GLN   A 134 ? 0.1331 0.1817 0.2057 -0.0361 0.0268  -0.0075 134 GLN   A CD  
2256 O OE1 . GLN   A 134 ? 0.1418 0.2483 0.2282 -0.0439 -0.0049 -0.0252 134 GLN   A OE1 
2257 N NE2 . GLN   A 134 ? 0.1417 0.1840 0.2391 -0.0307 0.0673  -0.0031 134 GLN   A NE2 
2266 N N   . GLN   A 135 ? 0.0969 0.0469 0.0405 -0.0058 0.0053  0.0076  135 GLN   A N   
2267 C CA  . GLN   A 135 ? 0.0860 0.0395 0.0421 -0.0052 0.0077  0.0005  135 GLN   A CA  
2268 C C   . GLN   A 135 ? 0.0804 0.0548 0.0532 -0.0060 0.0087  -0.0028 135 GLN   A C   
2269 O O   . GLN   A 135 ? 0.1026 0.0559 0.0622 -0.0092 0.0085  0.0132  135 GLN   A O   
2270 C CB  . GLN   A 135 ? 0.0878 0.0518 0.0463 0.0061  0.0100  0.0017  135 GLN   A CB  
2271 C CG  . GLN   A 135 ? 0.0780 0.0423 0.0378 -0.0046 0.0030  0.0040  135 GLN   A CG  
2272 C CD  . GLN   A 135 ? 0.0854 0.0431 0.0331 0.0025  0.0155  0.0006  135 GLN   A CD  
2273 O OE1 . GLN   A 135 ? 0.0805 0.0559 0.0440 -0.0032 0.0056  -0.0051 135 GLN   A OE1 
2274 N NE2 . GLN   A 135 ? 0.0982 0.0541 0.0439 -0.0109 0.0112  -0.0052 135 GLN   A NE2 
2283 N N   . PRO   A 136 ? 0.1040 0.0403 0.0695 -0.0027 0.0032  0.0076  136 PRO   A N   
2284 C CA  . PRO   A 136 ? 0.0961 0.0533 0.0881 -0.0050 0.0095  -0.0042 136 PRO   A CA  
2285 C C   . PRO   A 136 ? 0.1097 0.0350 0.0839 -0.0044 0.0030  0.0099  136 PRO   A C   
2286 O O   . PRO   A 136 ? 0.0957 0.0450 0.0953 -0.0084 0.0008  0.0133  136 PRO   A O   
2287 C CB  . PRO   A 136 ? 0.1485 0.0657 0.1028 0.0007  -0.0052 -0.0204 136 PRO   A CB  
2288 C CG  . PRO   A 136 ? 0.3076 0.1204 0.1041 0.0324  0.0569  -0.0034 136 PRO   A CG  
2289 C CD  . PRO   A 136 ? 0.1406 0.0610 0.0785 0.0062  0.0211  -0.0052 136 PRO   A CD  
2297 N N   . GLY   A 137 ? 0.0750 0.0559 0.0879 -0.0073 0.0086  0.0098  137 GLY   A N   
2298 C CA  . GLY   A 137 ? 0.1288 0.0675 0.0771 -0.0053 0.0181  0.0271  137 GLY   A CA  
2299 C C   . GLY   A 137 ? 0.0881 0.0355 0.0749 0.0060  0.0202  0.0104  137 GLY   A C   
2300 O O   . GLY   A 137 ? 0.1100 0.0465 0.0691 -0.0091 0.0139  0.0049  137 GLY   A O   
2304 N N   . ALA   A 138 ? 0.0704 0.0572 0.0798 -0.0044 0.0122  0.0052  138 ALA   A N   
2305 C CA  . ALA   A 138 ? 0.0947 0.0463 0.0784 -0.0086 0.0005  0.0070  138 ALA   A CA  
2306 C C   . ALA   A 138 ? 0.1031 0.0512 0.0800 -0.0146 0.0107  -0.0160 138 ALA   A C   
2307 O O   . ALA   A 138 ? 0.1052 0.0866 0.0942 -0.0182 0.0099  -0.0182 138 ALA   A O   
2308 C CB  . ALA   A 138 ? 0.1046 0.0778 0.0915 0.0073  0.0065  0.0013  138 ALA   A CB  
2314 N N   . GLU   A 139 ? 0.1031 0.0430 0.0761 -0.0177 0.0212  -0.0092 139 GLU   A N   
2315 C CA  . GLU   A 139 ? 0.1053 0.0542 0.0757 -0.0130 0.0079  -0.0155 139 GLU   A CA  
2316 C C   . GLU   A 139 ? 0.0987 0.0502 0.0714 -0.0221 0.0128  -0.0180 139 GLU   A C   
2317 O O   . GLU   A 139 ? 0.1125 0.0457 0.0746 -0.0120 0.0113  -0.0104 139 GLU   A O   
2318 C CB  . GLU   A 139 ? 0.1389 0.0816 0.0909 -0.0059 -0.0031 0.0018  139 GLU   A CB  
2319 C CG  . GLU   A 139 ? 0.1802 0.1036 0.1244 -0.0008 -0.0112 0.0052  139 GLU   A CG  
2320 C CD  . GLU   A 139 ? 0.1915 0.1250 0.1550 -0.0168 -0.0025 0.0152  139 GLU   A CD  
2321 O OE1 . GLU   A 139 ? 0.1991 0.1303 0.1635 -0.0249 -0.0226 -0.0100 139 GLU   A OE1 
2322 O OE2 . GLU   A 139 ? 0.2178 0.1466 0.1795 -0.0046 0.0000  0.0354  139 GLU   A OE2 
2329 N N   . LEU   A 140 ? 0.1007 0.0945 0.0963 -0.0147 0.0166  -0.0406 140 LEU   A N   
2330 C CA  . LEU   A 140 ? 0.1346 0.0598 0.1072 -0.0137 0.0282  -0.0229 140 LEU   A CA  
2331 C C   . LEU   A 140 ? 0.1120 0.0808 0.0941 -0.0321 0.0267  -0.0434 140 LEU   A C   
2332 O O   . LEU   A 140 ? 0.1469 0.1594 0.1014 -0.0601 0.0293  -0.0619 140 LEU   A O   
2333 C CB  . LEU   A 140 ? 0.1371 0.1710 0.1622 0.0446  0.0506  0.0085  140 LEU   A CB  
2334 C CG  . LEU   A 140 ? 0.2599 0.1235 0.1912 -0.0222 0.0583  0.0106  140 LEU   A CG  
2335 C CD1 . LEU   A 140 ? 0.2488 0.1749 0.2036 -0.0075 0.0163  0.0280  140 LEU   A CD1 
2336 C CD2 . LEU   A 140 ? 0.2382 0.1541 0.2047 0.0166  0.0365  0.0141  140 LEU   A CD2 
2348 N N   A ALA   A 141 ? 0.0724 0.0283 0.0678 -0.0130 0.0092  -0.0148 141 ALA   A N   
2349 N N   B ALA   A 141 ? 0.1152 0.1048 0.0962 -0.0041 0.0237  -0.0297 141 ALA   A N   
2350 C CA  A ALA   A 141 ? 0.0881 0.0380 0.0532 -0.0180 0.0120  -0.0100 141 ALA   A CA  
2351 C CA  B ALA   A 141 ? 0.1209 0.0957 0.1001 -0.0071 0.0333  -0.0117 141 ALA   A CA  
2352 C C   A ALA   A 141 ? 0.0736 0.0208 0.0420 -0.0076 0.0008  -0.0051 141 ALA   A C   
2353 C C   B ALA   A 141 ? 0.1450 0.0674 0.0985 -0.0247 0.0329  -0.0033 141 ALA   A C   
2354 O O   A ALA   A 141 ? 0.0636 0.0218 0.0405 0.0023  0.0085  -0.0102 141 ALA   A O   
2355 O O   B ALA   A 141 ? 0.1411 0.1107 0.1116 -0.0188 0.0304  -0.0394 141 ALA   A O   
2356 C CB  A ALA   A 141 ? 0.0692 0.0648 0.0606 -0.0240 -0.0007 0.0031  141 ALA   A CB  
2357 C CB  B ALA   A 141 ? 0.2030 0.0958 0.1235 0.0030  0.0238  -0.0006 141 ALA   A CB  
2368 N N   A LYS   A 142 ? 0.0907 0.0257 0.0373 -0.0099 0.0071  0.0026  142 LYS   A N   
2369 N N   B LYS   A 142 ? 0.1493 0.0817 0.0906 -0.0154 0.0297  -0.0042 142 LYS   A N   
2370 C CA  A LYS   A 142 ? 0.1010 0.0290 0.0288 -0.0108 0.0138  -0.0020 142 LYS   A CA  
2371 C CA  B LYS   A 142 ? 0.1699 0.0807 0.0815 -0.0105 0.0508  -0.0043 142 LYS   A CA  
2372 C C   A LYS   A 142 ? 0.0867 0.0223 0.0217 0.0003  0.0008  0.0002  142 LYS   A C   
2373 C C   B LYS   A 142 ? 0.1413 0.0630 0.0731 0.0014  0.0325  -0.0111 142 LYS   A C   
2374 O O   A LYS   A 142 ? 0.0623 0.0290 0.0229 -0.0069 -0.0032 -0.0085 142 LYS   A O   
2375 O O   B LYS   A 142 ? 0.1329 0.0592 0.0777 -0.0260 0.0207  -0.0090 142 LYS   A O   
2376 C CB  A LYS   A 142 ? 0.1308 0.0517 0.0395 -0.0366 0.0145  -0.0062 142 LYS   A CB  
2377 C CB  B LYS   A 142 ? 0.2079 0.0837 0.0954 -0.0297 0.0420  0.0011  142 LYS   A CB  
2378 C CG  A LYS   A 142 ? 0.1402 0.0444 0.0483 0.0010  0.0205  -0.0079 142 LYS   A CG  
2379 C CG  B LYS   A 142 ? 0.2021 0.0836 0.0896 -0.0338 0.0261  -0.0239 142 LYS   A CG  
2380 C CD  A LYS   A 142 ? 0.1540 0.0531 0.0590 0.0008  0.0150  -0.0143 142 LYS   A CD  
2381 C CD  B LYS   A 142 ? 0.2135 0.0820 0.0875 -0.0525 0.0156  -0.0113 142 LYS   A CD  
2382 C CE  A LYS   A 142 ? 0.0352 0.0976 0.0671 0.0087  -0.0023 -0.0298 142 LYS   A CE  
2383 C CE  B LYS   A 142 ? 0.1676 0.0856 0.0772 -0.0178 0.0305  -0.0065 142 LYS   A CE  
2384 N NZ  A LYS   A 142 ? 0.0816 0.0392 0.0593 0.0225  -0.0055 -0.0172 142 LYS   A NZ  
2385 N NZ  B LYS   A 142 ? 0.2153 0.1102 0.0860 -0.0506 0.0314  -0.0306 142 LYS   A NZ  
2412 N N   A PRO   A 143 ? 0.0839 0.0221 0.0227 0.0065  -0.0009 -0.0007 143 PRO   A N   
2413 N N   B PRO   A 143 ? 0.1608 0.0827 0.0647 -0.0042 0.0195  -0.0036 143 PRO   A N   
2414 C CA  A PRO   A 143 ? 0.0775 0.0289 0.0279 -0.0096 -0.0105 -0.0046 143 PRO   A CA  
2415 C CA  B PRO   A 143 ? 0.1231 0.0933 0.0637 0.0243  -0.0011 -0.0086 143 PRO   A CA  
2416 C C   A PRO   A 143 ? 0.0324 0.0223 0.0317 -0.0057 -0.0008 -0.0143 143 PRO   A C   
2417 C C   B PRO   A 143 ? 0.1078 0.0753 0.0633 0.0127  -0.0027 -0.0266 143 PRO   A C   
2418 O O   A PRO   A 143 ? 0.0320 0.0119 0.0286 -0.0017 -0.0008 -0.0087 143 PRO   A O   
2419 O O   B PRO   A 143 ? 0.0579 0.0794 0.0663 -0.0004 0.0014  -0.0095 143 PRO   A O   
2420 C CB  A PRO   A 143 ? 0.0979 0.0687 0.0395 0.0229  -0.0252 -0.0036 143 PRO   A CB  
2421 C CB  B PRO   A 143 ? 0.1728 0.0918 0.0748 0.0001  -0.0058 0.0045  143 PRO   A CB  
2422 C CG  A PRO   A 143 ? 0.1086 0.0827 0.0344 0.0218  0.0154  -0.0012 143 PRO   A CG  
2423 C CG  B PRO   A 143 ? 0.1631 0.1288 0.0766 0.0412  0.0074  0.0111  143 PRO   A CG  
2424 C CD  A PRO   A 143 ? 0.1108 0.0335 0.0332 0.0182  0.0136  0.0035  143 PRO   A CD  
2425 C CD  B PRO   A 143 ? 0.1904 0.0883 0.0720 0.0107  0.0083  -0.0004 143 PRO   A CD  
2440 N N   A GLY   A 144 ? 0.0602 0.0210 0.0396 -0.0126 0.0109  -0.0047 144 GLY   A N   
2441 N N   B GLY   A 144 ? 0.1149 0.0571 0.0709 0.0291  0.0063  -0.0220 144 GLY   A N   
2442 C CA  A GLY   A 144 ? 0.0649 0.0219 0.0410 -0.0060 0.0005  -0.0108 144 GLY   A CA  
2443 C CA  B GLY   A 144 ? 0.1168 0.0695 0.0641 0.0092  0.0072  0.0018  144 GLY   A CA  
2444 C C   A GLY   A 144 ? 0.0690 0.0190 0.0422 0.0073  -0.0017 -0.0036 144 GLY   A C   
2445 C C   B GLY   A 144 ? 0.1307 0.0494 0.0594 0.0001  0.0311  -0.0043 144 GLY   A C   
2446 O O   A GLY   A 144 ? 0.0854 0.0252 0.0448 0.0126  0.0102  0.0033  144 GLY   A O   
2447 O O   B GLY   A 144 ? 0.1167 0.0668 0.0729 0.0128  0.0149  0.0090  144 GLY   A O   
2454 N N   . ALA   A 145 ? 0.0916 0.0379 0.0429 0.0066  0.0074  -0.0086 145 ALA   A N   
2455 C CA  . ALA   A 145 ? 0.1125 0.0355 0.0405 -0.0054 0.0050  -0.0070 145 ALA   A CA  
2456 C C   . ALA   A 145 ? 0.0932 0.0364 0.0445 -0.0043 0.0086  -0.0157 145 ALA   A C   
2457 O O   . ALA   A 145 ? 0.0799 0.0562 0.0888 0.0071  -0.0016 -0.0319 145 ALA   A O   
2458 C CB  . ALA   A 145 ? 0.1063 0.0511 0.0637 0.0044  0.0003  -0.0084 145 ALA   A CB  
2465 N N   . SER   A 146 ? 0.0926 0.0533 0.0736 0.0064  -0.0093 -0.0350 146 SER   A N   
2466 C CA  . SER   A 146 ? 0.0911 0.0451 0.0637 0.0047  0.0025  -0.0297 146 SER   A CA  
2467 C C   . SER   A 146 ? 0.0978 0.0357 0.0641 -0.0042 -0.0023 -0.0153 146 SER   A C   
2468 O O   . SER   A 146 ? 0.1131 0.0389 0.0789 -0.0011 0.0148  -0.0206 146 SER   A O   
2469 C CB  . SER   A 146 ? 0.1095 0.0629 0.0562 -0.0049 0.0049  -0.0180 146 SER   A CB  
2470 O OG  . SER   A 146 ? 0.1194 0.0931 0.0538 -0.0026 0.0021  -0.0160 146 SER   A OG  
2476 N N   . VAL   A 147 ? 0.0850 0.0319 0.0548 0.0067  0.0074  -0.0166 147 VAL   A N   
2477 C CA  . VAL   A 147 ? 0.1040 0.0304 0.0554 0.0033  0.0170  -0.0077 147 VAL   A CA  
2478 C C   . VAL   A 147 ? 0.0977 0.0396 0.0374 -0.0045 0.0099  -0.0132 147 VAL   A C   
2479 O O   . VAL   A 147 ? 0.0946 0.0334 0.0578 -0.0028 0.0003  -0.0133 147 VAL   A O   
2480 C CB  . VAL   A 147 ? 0.1165 0.0603 0.0691 0.0052  0.0068  0.0127  147 VAL   A CB  
2481 C CG1 . VAL   A 147 ? 0.1314 0.0904 0.0538 -0.0065 -0.0075 0.0110  147 VAL   A CG1 
2482 C CG2 . VAL   A 147 ? 0.1420 0.0807 0.0860 -0.0089 0.0026  0.0257  147 VAL   A CG2 
2492 N N   . GLN   A 148 ? 0.1027 0.0471 0.0436 -0.0081 0.0165  -0.0136 148 GLN   A N   
2493 C CA  A GLN   A 148 ? 0.0823 0.0630 0.0546 0.0203  0.0148  -0.0244 148 GLN   A CA  
2494 C CA  B GLN   A 148 ? 0.0954 0.0705 0.0512 -0.0278 -0.0141 -0.0188 148 GLN   A CA  
2495 C C   . GLN   A 148 ? 0.0945 0.0368 0.0570 -0.0120 0.0058  -0.0028 148 GLN   A C   
2496 O O   . GLN   A 148 ? 0.1245 0.0476 0.0747 -0.0030 0.0323  -0.0066 148 GLN   A O   
2497 C CB  A GLN   A 148 ? 0.1177 0.1026 0.0714 -0.0046 0.0080  -0.0229 148 GLN   A CB  
2498 C CB  B GLN   A 148 ? 0.1019 0.1204 0.0616 0.0150  -0.0244 -0.0392 148 GLN   A CB  
2499 C CG  A GLN   A 148 ? 0.1275 0.1407 0.0907 -0.0020 0.0010  -0.0079 148 GLN   A CG  
2500 C CG  B GLN   A 148 ? 0.0470 0.0965 0.0623 0.0179  -0.0157 -0.0268 148 GLN   A CG  
2501 C CD  A GLN   A 148 ? 0.1260 0.1666 0.1147 -0.0245 -0.0201 0.0122  148 GLN   A CD  
2502 C CD  B GLN   A 148 ? 0.0656 0.0915 0.0680 0.0100  -0.0237 -0.0162 148 GLN   A CD  
2503 O OE1 A GLN   A 148 ? 0.1652 0.2301 0.1364 -0.0519 -0.0196 0.0273  148 GLN   A OE1 
2504 O OE1 B GLN   A 148 ? 0.1682 0.1119 0.0769 0.0198  -0.0433 0.0204  148 GLN   A OE1 
2505 N NE2 A GLN   A 148 ? 0.1711 0.2289 0.1137 -0.0174 -0.0702 0.0235  148 GLN   A NE2 
2506 N NE2 B GLN   A 148 ? 0.1149 0.0959 0.0658 -0.0396 -0.0098 -0.0279 148 GLN   A NE2 
2523 N N   . LEU   A 149 ? 0.0825 0.0458 0.0332 0.0046  0.0016  -0.0086 149 LEU   A N   
2524 C CA  . LEU   A 149 ? 0.1013 0.0327 0.0303 0.0033  0.0129  0.0003  149 LEU   A CA  
2525 C C   . LEU   A 149 ? 0.1022 0.0274 0.0370 -0.0055 0.0102  0.0024  149 LEU   A C   
2526 O O   . LEU   A 149 ? 0.0869 0.0575 0.0899 0.0037  0.0116  0.0370  149 LEU   A O   
2527 C CB  . LEU   A 149 ? 0.0831 0.0495 0.0410 0.0091  0.0004  -0.0022 149 LEU   A CB  
2528 C CG  . LEU   A 149 ? 0.1395 0.0803 0.1012 -0.0089 -0.0355 -0.0069 149 LEU   A CG  
2529 C CD1 . LEU   A 149 ? 0.1792 0.1200 0.1382 0.0005  -0.0702 -0.0294 149 LEU   A CD1 
2530 C CD2 . LEU   A 149 ? 0.1641 0.1291 0.1312 0.0399  -0.0509 -0.0062 149 LEU   A CD2 
2542 N N   . SER   A 150 ? 0.1011 0.0642 0.0364 0.0194  0.0167  0.0114  150 SER   A N   
2543 C CA  . SER   A 150 ? 0.1079 0.0590 0.0320 0.0245  0.0124  0.0047  150 SER   A CA  
2544 C C   . SER   A 150 ? 0.0879 0.0572 0.0269 0.0006  0.0106  0.0044  150 SER   A C   
2545 O O   . SER   A 150 ? 0.0750 0.0653 0.0371 0.0122  0.0067  0.0101  150 SER   A O   
2546 C CB  . SER   A 150 ? 0.1317 0.0872 0.0516 0.0226  -0.0078 -0.0221 150 SER   A CB  
2547 O OG  . SER   A 150 ? 0.1216 0.0834 0.0936 -0.0065 0.0011  -0.0183 150 SER   A OG  
2553 N N   . CYS   A 151 ? 0.0794 0.0455 0.0306 0.0031  -0.0016 0.0041  151 CYS   A N   
2554 C CA  . CYS   A 151 ? 0.0745 0.0606 0.0299 0.0088  0.0038  -0.0029 151 CYS   A CA  
2555 C C   . CYS   A 151 ? 0.0842 0.0498 0.0274 0.0066  0.0034  -0.0010 151 CYS   A C   
2556 O O   . CYS   A 151 ? 0.0786 0.0815 0.0388 0.0122  0.0079  0.0098  151 CYS   A O   
2557 C CB  . CYS   A 151 ? 0.0940 0.0674 0.0644 -0.0128 -0.0293 -0.0001 151 CYS   A CB  
2558 S SG  . CYS   A 151 ? 0.0942 0.0824 0.0812 0.0081  -0.0175 -0.0327 151 CYS   A SG  
2563 N N   . LYS   A 152 ? 0.0718 0.0652 0.0326 0.0050  0.0011  0.0000  152 LYS   A N   
2564 C CA  . LYS   A 152 ? 0.0786 0.0715 0.0416 0.0092  -0.0053 0.0060  152 LYS   A CA  
2565 C C   . LYS   A 152 ? 0.0852 0.0854 0.0338 0.0070  0.0057  -0.0015 152 LYS   A C   
2566 O O   . LYS   A 152 ? 0.1048 0.1287 0.0422 0.0381  0.0122  0.0003  152 LYS   A O   
2567 C CB  . LYS   A 152 ? 0.0871 0.1106 0.0577 0.0082  -0.0050 0.0058  152 LYS   A CB  
2568 C CG  . LYS   A 152 ? 0.0916 0.1303 0.0758 -0.0242 -0.0039 0.0137  152 LYS   A CG  
2569 C CD  . LYS   A 152 ? 0.1260 0.1725 0.0904 -0.0444 -0.0220 -0.0020 152 LYS   A CD  
2570 C CE  . LYS   A 152 ? 0.1108 0.2102 0.1012 -0.0310 -0.0138 -0.0288 152 LYS   A CE  
2571 N NZ  . LYS   A 152 ? 0.1308 0.1565 0.1054 0.0033  -0.0233 -0.0080 152 LYS   A NZ  
2585 N N   A GLY   A 153 ? 0.0704 0.1194 0.0470 0.0049  -0.0145 0.0082  153 GLY   A N   
2586 N N   B GLY   A 153 ? 0.0924 0.0669 0.0353 0.0262  0.0192  0.0017  153 GLY   A N   
2587 C CA  A GLY   A 153 ? 0.0708 0.1263 0.0572 0.0489  0.0063  -0.0055 153 GLY   A CA  
2588 C CA  B GLY   A 153 ? 0.1061 0.0840 0.0310 -0.0044 0.0089  -0.0132 153 GLY   A CA  
2589 C C   A GLY   A 153 ? 0.1208 0.1695 0.0551 0.0214  -0.0034 -0.0029 153 GLY   A C   
2590 C C   B GLY   A 153 ? 0.0239 0.0737 0.0208 0.0081  0.0013  -0.0061 153 GLY   A C   
2591 O O   A GLY   A 153 ? 0.1015 0.2617 0.0752 0.0525  0.0127  0.0203  153 GLY   A O   
2592 O O   B GLY   A 153 ? 0.1028 0.0977 0.0334 -0.0014 0.0001  -0.0224 153 GLY   A O   
2599 N N   A SER   A 154 ? 0.0498 0.1210 0.0654 -0.0003 0.0147  -0.0152 154 SER   A N   
2600 N N   B SER   A 154 ? 0.0744 0.0299 0.0247 0.0120  -0.0147 -0.0048 154 SER   A N   
2601 C CA  A SER   A 154 ? 0.0776 0.0897 0.0752 -0.0348 -0.0140 -0.0107 154 SER   A CA  
2602 C CA  B SER   A 154 ? 0.0514 0.0549 0.0334 0.0183  0.0067  -0.0155 154 SER   A CA  
2603 C C   A SER   A 154 ? 0.0719 0.0619 0.0633 -0.0060 -0.0126 -0.0024 154 SER   A C   
2604 C C   B SER   A 154 ? 0.0263 0.0741 0.0233 0.0180  -0.0013 -0.0013 154 SER   A C   
2605 O O   A SER   A 154 ? 0.0776 0.1064 0.0706 0.0034  0.0111  -0.0271 154 SER   A O   
2606 O O   B SER   A 154 ? 0.0366 0.0611 0.0332 0.0096  -0.0161 0.0059  154 SER   A O   
2607 C CB  A SER   A 154 ? 0.0459 0.0735 0.0849 0.0039  -0.0174 -0.0180 154 SER   A CB  
2608 C CB  B SER   A 154 ? 0.1047 0.0765 0.0535 0.0176  0.0065  -0.0268 154 SER   A CB  
2609 O OG  A SER   A 154 ? 0.0929 0.0670 0.0721 -0.0147 -0.0098 -0.0068 154 SER   A OG  
2610 O OG  B SER   A 154 ? 0.1459 0.0938 0.0621 -0.0183 -0.0031 -0.0072 154 SER   A OG  
2621 N N   A GLY   A 155 ? 0.0793 0.0726 0.0514 0.0022  -0.0231 -0.0088 155 GLY   A N   
2622 N N   B GLY   A 155 ? 0.0449 0.0671 0.0228 0.0109  0.0109  0.0006  155 GLY   A N   
2623 C CA  A GLY   A 155 ? 0.0562 0.0892 0.0555 0.0099  -0.0112 -0.0070 155 GLY   A CA  
2624 C CA  B GLY   A 155 ? 0.0852 0.0385 0.0348 0.0265  0.0134  0.0091  155 GLY   A CA  
2625 C C   A GLY   A 155 ? 0.0738 0.0710 0.0458 0.0191  -0.0125 -0.0020 155 GLY   A C   
2626 C C   B GLY   A 155 ? 0.0241 0.0560 0.0485 0.0008  0.0065  -0.0117 155 GLY   A C   
2627 O O   A GLY   A 155 ? 0.0940 0.0673 0.0548 0.0258  -0.0083 0.0056  155 GLY   A O   
2628 O O   B GLY   A 155 ? 0.0735 0.0573 0.0493 0.0283  -0.0169 -0.0130 155 GLY   A O   
2635 N N   A TYR   A 156 ? 0.1271 0.0433 0.0357 -0.0168 0.0119  -0.0050 156 TYR   A N   
2636 N N   B TYR   A 156 ? 0.0294 0.0724 0.0621 0.0180  -0.0118 -0.0030 156 TYR   A N   
2637 C CA  A TYR   A 156 ? 0.1132 0.0432 0.0528 0.0026  0.0153  -0.0137 156 TYR   A CA  
2638 C CA  B TYR   A 156 ? 0.0314 0.0857 0.0760 0.0041  -0.0222 -0.0011 156 TYR   A CA  
2639 C C   A TYR   A 156 ? 0.0870 0.0268 0.0487 0.0112  0.0078  0.0085  156 TYR   A C   
2640 C C   B TYR   A 156 ? 0.0297 0.0879 0.0938 -0.0178 -0.0074 0.0000  156 TYR   A C   
2641 O O   A TYR   A 156 ? 0.0730 0.0301 0.0312 0.0063  -0.0104 0.0010  156 TYR   A O   
2642 O O   B TYR   A 156 ? 0.0346 0.1289 0.1085 0.0093  -0.0007 -0.0116 156 TYR   A O   
2643 C CB  A TYR   A 156 ? 0.0815 0.0582 0.0646 -0.0031 0.0063  -0.0236 156 TYR   A CB  
2644 C CB  B TYR   A 156 ? 0.0773 0.0938 0.0582 0.0071  -0.0132 -0.0149 156 TYR   A CB  
2645 C CG  A TYR   A 156 ? 0.0894 0.0666 0.0708 -0.0228 -0.0326 -0.0111 156 TYR   A CG  
2646 C CG  B TYR   A 156 ? 0.0839 0.0766 0.0428 0.0209  0.0130  -0.0103 156 TYR   A CG  
2647 C CD1 A TYR   A 156 ? 0.1085 0.0654 0.0612 0.0020  -0.0316 -0.0124 156 TYR   A CD1 
2648 C CD1 B TYR   A 156 ? 0.0578 0.1002 0.0413 -0.0133 0.0213  -0.0034 156 TYR   A CD1 
2649 C CD2 A TYR   A 156 ? 0.0273 0.0829 0.0833 -0.0042 -0.0113 -0.0137 156 TYR   A CD2 
2650 C CD2 B TYR   A 156 ? 0.1131 0.0747 0.0381 0.0275  0.0172  0.0014  156 TYR   A CD2 
2651 C CE1 A TYR   A 156 ? 0.1407 0.0877 0.0672 0.0085  -0.0496 -0.0088 156 TYR   A CE1 
2652 C CE1 B TYR   A 156 ? 0.0852 0.0694 0.0235 0.0052  0.0067  0.0069  156 TYR   A CE1 
2653 C CE2 A TYR   A 156 ? 0.1154 0.0906 0.0771 -0.0111 -0.0267 -0.0081 156 TYR   A CE2 
2654 C CE2 B TYR   A 156 ? 0.0856 0.0523 0.0347 0.0058  0.0240  0.0079  156 TYR   A CE2 
2655 C CZ  A TYR   A 156 ? 0.0648 0.1018 0.0788 0.0009  -0.0232 -0.0146 156 TYR   A CZ  
2656 C CZ  B TYR   A 156 ? 0.0858 0.0590 0.0283 0.0084  -0.0047 0.0100  156 TYR   A CZ  
2657 O OH  A TYR   A 156 ? 0.1225 0.1385 0.0991 0.0489  -0.0153 0.0183  156 TYR   A OH  
2658 O OH  B TYR   A 156 ? 0.0612 0.0523 0.0316 0.0262  -0.0041 0.0095  156 TYR   A OH  
2677 N N   A THR   A 157 ? 0.0586 0.0357 0.0670 0.0062  -0.0009 0.0003  157 THR   A N   
2678 N N   B THR   A 157 ? 0.0500 0.0965 0.1037 -0.0200 -0.0090 -0.0046 157 THR   A N   
2679 C CA  A THR   A 157 ? 0.0542 0.0360 0.0777 0.0093  -0.0136 0.0112  157 THR   A CA  
2680 C CA  B THR   A 157 ? 0.0289 0.1028 0.1048 0.0132  0.0049  -0.0007 157 THR   A CA  
2681 C C   A THR   A 157 ? 0.0679 0.0300 0.0612 0.0096  -0.0194 0.0110  157 THR   A C   
2682 C C   B THR   A 157 ? 0.0796 0.1021 0.1006 -0.0171 0.0065  -0.0024 157 THR   A C   
2683 O O   A THR   A 157 ? 0.0774 0.0555 0.0575 0.0042  0.0026  -0.0087 157 THR   A O   
2684 O O   B THR   A 157 ? 0.0500 0.0708 0.1007 -0.0314 0.0096  0.0010  157 THR   A O   
2685 C CB  A THR   A 157 ? 0.0815 0.0401 0.1011 0.0072  0.0034  0.0279  157 THR   A CB  
2686 C CB  B THR   A 157 ? 0.0600 0.1136 0.1148 0.0178  0.0039  0.0143  157 THR   A CB  
2687 O OG1 A THR   A 157 ? 0.0654 0.0566 0.1083 0.0095  0.0208  0.0300  157 THR   A OG1 
2688 O OG1 B THR   A 157 ? 0.0434 0.0854 0.1156 0.0088  0.0271  0.0239  157 THR   A OG1 
2689 C CG2 A THR   A 157 ? 0.0439 0.0712 0.1166 0.0167  0.0092  0.0366  157 THR   A CG2 
2690 C CG2 B THR   A 157 ? 0.0574 0.1158 0.1129 0.0142  0.0110  0.0303  157 THR   A CG2 
2705 N N   A PHE   A 158 ? 0.0686 0.0513 0.0814 0.0133  -0.0136 -0.0040 158 PHE   A N   
2706 N N   B PHE   A 158 ? 0.0781 0.0806 0.1022 -0.0315 -0.0182 0.0021  158 PHE   A N   
2707 C CA  A PHE   A 158 ? 0.1086 0.0486 0.0716 -0.0130 0.0235  -0.0074 158 PHE   A CA  
2708 C CA  B PHE   A 158 ? 0.0279 0.0968 0.0928 -0.0113 -0.0019 -0.0078 158 PHE   A CA  
2709 C C   A PHE   A 158 ? 0.1245 0.0453 0.0599 -0.0110 0.0116  -0.0189 158 PHE   A C   
2710 C C   B PHE   A 158 ? 0.0550 0.1256 0.0844 0.0028  -0.0177 -0.0004 158 PHE   A C   
2711 O O   A PHE   A 158 ? 0.1238 0.0702 0.0553 -0.0357 0.0308  -0.0127 158 PHE   A O   
2712 O O   B PHE   A 158 ? 0.0737 0.0905 0.0684 0.0018  -0.0160 0.0175  158 PHE   A O   
2713 C CB  A PHE   A 158 ? 0.1518 0.0600 0.0808 -0.0072 0.0470  -0.0088 158 PHE   A CB  
2714 C CB  B PHE   A 158 ? 0.0570 0.1123 0.0957 -0.0140 0.0109  -0.0221 158 PHE   A CB  
2715 C CG  A PHE   A 158 ? 0.1263 0.0422 0.0843 -0.0177 0.0196  -0.0172 158 PHE   A CG  
2716 C CG  B PHE   A 158 ? 0.1031 0.0799 0.0917 -0.0103 0.0122  -0.0165 158 PHE   A CG  
2717 C CD1 A PHE   A 158 ? 0.1301 0.0648 0.1035 0.0029  0.0286  -0.0032 158 PHE   A CD1 
2718 C CD1 B PHE   A 158 ? 0.0626 0.1260 0.0832 -0.0079 0.0320  -0.0022 158 PHE   A CD1 
2719 C CD2 A PHE   A 158 ? 0.1258 0.0543 0.0884 0.0160  0.0117  -0.0301 158 PHE   A CD2 
2720 C CD2 B PHE   A 158 ? 0.0998 0.0741 0.0896 -0.0180 0.0059  -0.0077 158 PHE   A CD2 
2721 C CE1 A PHE   A 158 ? 0.1450 0.0860 0.1188 -0.0079 0.0270  0.0029  158 PHE   A CE1 
2722 C CE1 B PHE   A 158 ? 0.0426 0.0959 0.0715 0.0004  0.0290  -0.0053 158 PHE   A CE1 
2723 C CE2 A PHE   A 158 ? 0.2335 0.0842 0.1060 -0.0215 0.0165  -0.0330 158 PHE   A CE2 
2724 C CE2 B PHE   A 158 ? 0.1302 0.0377 0.0750 -0.0117 0.0129  -0.0116 158 PHE   A CE2 
2725 C CZ  A PHE   A 158 ? 0.1434 0.0786 0.1148 -0.0076 0.0290  -0.0278 158 PHE   A CZ  
2726 C CZ  B PHE   A 158 ? 0.1024 0.0571 0.0737 0.0190  0.0014  -0.0061 158 PHE   A CZ  
2745 N N   A PRO   A 159 ? 0.1831 0.0673 0.0615 -0.0049 -0.0278 0.0012  159 PRO   A N   
2746 N N   B PRO   A 159 ? 0.1156 0.1558 0.0894 -0.0419 -0.0466 -0.0006 159 PRO   A N   
2747 C CA  A PRO   A 159 ? 0.2134 0.1176 0.0577 -0.0229 -0.0165 0.0074  159 PRO   A CA  
2748 C CA  B PRO   A 159 ? 0.1825 0.1581 0.0723 -0.0050 -0.0497 0.0109  159 PRO   A CA  
2749 C C   A PRO   A 159 ? 0.1369 0.0872 0.0631 -0.0148 -0.0190 0.0169  159 PRO   A C   
2750 C C   B PRO   A 159 ? 0.0980 0.1208 0.0735 -0.0083 -0.0379 0.0167  159 PRO   A C   
2751 O O   A PRO   A 159 ? 0.1641 0.1303 0.0705 -0.0584 -0.0170 0.0340  159 PRO   A O   
2752 O O   B PRO   A 159 ? 0.1807 0.1412 0.0706 -0.0452 -0.0314 0.0331  159 PRO   A O   
2753 C CB  A PRO   A 159 ? 0.2539 0.1729 0.0842 -0.0419 -0.0453 -0.0067 159 PRO   A CB  
2754 C CB  B PRO   A 159 ? 0.2411 0.2336 0.0860 -0.0096 -0.0586 0.0079  159 PRO   A CB  
2755 C CG  A PRO   A 159 ? 0.2162 0.1304 0.0908 -0.0279 -0.0531 -0.0196 159 PRO   A CG  
2756 C CG  B PRO   A 159 ? 0.2298 0.2539 0.0793 0.0357  -0.0365 0.0004  159 PRO   A CG  
2757 C CD  A PRO   A 159 ? 0.1844 0.1137 0.0969 -0.0347 -0.0649 -0.0006 159 PRO   A CD  
2758 C CD  B PRO   A 159 ? 0.1969 0.2279 0.0940 -0.0263 -0.0631 -0.0053 159 PRO   A CD  
2773 N N   . ASN   A 160 ? 0.1086 0.0764 0.0759 -0.0123 -0.0220 0.0195  160 ASN   A N   
2774 C CA  . ASN   A 160 ? 0.1036 0.0533 0.1074 -0.0056 -0.0004 0.0163  160 ASN   A CA  
2775 C C   . ASN   A 160 ? 0.0981 0.0614 0.0781 -0.0092 0.0129  0.0042  160 ASN   A C   
2776 O O   . ASN   A 160 ? 0.1154 0.0604 0.0964 -0.0148 0.0096  -0.0018 160 ASN   A O   
2777 C CB  . ASN   A 160 ? 0.1070 0.0835 0.1718 0.0097  0.0179  -0.0128 160 ASN   A CB  
2778 C CG  . ASN   A 160 ? 0.1250 0.1215 0.2349 -0.0027 -0.0017 0.0039  160 ASN   A CG  
2779 O OD1 . ASN   A 160 ? 0.1111 0.2619 0.2600 0.0116  -0.0389 0.0778  160 ASN   A OD1 
2780 N ND2 . ASN   A 160 ? 0.1262 0.1636 0.2696 0.0137  -0.0043 -0.0185 160 ASN   A ND2 
2788 N N   . TYR   A 161 ? 0.0885 0.0517 0.0544 -0.0048 0.0133  -0.0014 161 TYR   A N   
2789 C CA  . TYR   A 161 ? 0.0643 0.0789 0.0491 -0.0045 0.0092  -0.0076 161 TYR   A CA  
2790 C C   . TYR   A 161 ? 0.1035 0.0538 0.0438 -0.0053 0.0035  -0.0088 161 TYR   A C   
2791 O O   . TYR   A 161 ? 0.1132 0.0980 0.1082 -0.0249 0.0354  -0.0493 161 TYR   A O   
2792 C CB  . TYR   A 161 ? 0.1036 0.0805 0.0472 -0.0086 0.0137  0.0075  161 TYR   A CB  
2793 C CG  . TYR   A 161 ? 0.0873 0.1106 0.0567 -0.0198 0.0172  0.0076  161 TYR   A CG  
2794 C CD1 . TYR   A 161 ? 0.1095 0.1290 0.0689 -0.0218 0.0234  0.0105  161 TYR   A CD1 
2795 C CD2 . TYR   A 161 ? 0.1055 0.1267 0.0688 -0.0344 0.0345  -0.0018 161 TYR   A CD2 
2796 C CE1 . TYR   A 161 ? 0.0861 0.1620 0.1004 -0.0247 0.0304  0.0146  161 TYR   A CE1 
2797 C CE2 . TYR   A 161 ? 0.1708 0.1238 0.0815 -0.0300 0.0581  -0.0126 161 TYR   A CE2 
2798 C CZ  . TYR   A 161 ? 0.1229 0.1448 0.1074 -0.0196 0.0650  -0.0049 161 TYR   A CZ  
2799 O OH  . TYR   A 161 ? 0.2103 0.1694 0.1447 -0.0038 0.1010  -0.0088 161 TYR   A OH  
2809 N N   . TRP   A 162 ? 0.0924 0.0492 0.0332 0.0040  -0.0082 0.0039  162 TRP   A N   
2810 C CA  . TRP   A 162 ? 0.0773 0.0665 0.0328 0.0184  0.0057  0.0154  162 TRP   A CA  
2811 C C   . TRP   A 162 ? 0.0601 0.0610 0.0338 0.0059  -0.0021 0.0084  162 TRP   A C   
2812 O O   . TRP   A 162 ? 0.1031 0.0688 0.0314 0.0189  0.0069  0.0113  162 TRP   A O   
2813 C CB  . TRP   A 162 ? 0.0895 0.0692 0.0459 0.0013  -0.0023 0.0188  162 TRP   A CB  
2814 C CG  . TRP   A 162 ? 0.0924 0.0656 0.0371 0.0082  0.0124  0.0144  162 TRP   A CG  
2815 C CD1 . TRP   A 162 ? 0.0859 0.0610 0.0428 0.0079  -0.0079 0.0128  162 TRP   A CD1 
2816 C CD2 . TRP   A 162 ? 0.0826 0.0748 0.0350 0.0045  0.0048  0.0090  162 TRP   A CD2 
2817 N NE1 . TRP   A 162 ? 0.1050 0.0529 0.0416 0.0139  -0.0125 0.0084  162 TRP   A NE1 
2818 C CE2 . TRP   A 162 ? 0.1281 0.0456 0.0409 0.0119  0.0171  0.0056  162 TRP   A CE2 
2819 C CE3 . TRP   A 162 ? 0.1134 0.0859 0.0498 0.0043  0.0124  0.0198  162 TRP   A CE3 
2820 C CZ2 . TRP   A 162 ? 0.1158 0.0648 0.0486 0.0081  0.0095  0.0019  162 TRP   A CZ2 
2821 C CZ3 . TRP   A 162 ? 0.0661 0.1206 0.0626 -0.0165 0.0082  0.0072  162 TRP   A CZ3 
2822 C CH2 . TRP   A 162 ? 0.1566 0.0677 0.0568 -0.0142 0.0185  0.0080  162 TRP   A CH2 
2833 N N   . MET   A 163 ? 0.0666 0.0570 0.0274 0.0107  0.0054  0.0151  163 MET   A N   
2834 C CA  . MET   A 163 ? 0.0715 0.0503 0.0228 0.0056  0.0057  0.0112  163 MET   A CA  
2835 C C   . MET   A 163 ? 0.0611 0.0369 0.0189 0.0033  0.0020  0.0086  163 MET   A C   
2836 O O   . MET   A 163 ? 0.0774 0.0571 0.0213 -0.0038 0.0032  0.0075  163 MET   A O   
2837 C CB  . MET   A 163 ? 0.0857 0.0521 0.0340 -0.0054 0.0026  0.0096  163 MET   A CB  
2838 C CG  . MET   A 163 ? 0.0915 0.0611 0.0560 -0.0047 -0.0056 -0.0021 163 MET   A CG  
2839 S SD  . MET   A 163 ? 0.0941 0.0657 0.0633 0.0042  0.0099  0.0281  163 MET   A SD  
2840 C CE  . MET   A 163 ? 0.0895 0.1236 0.1032 -0.0027 -0.0014 0.0455  163 MET   A CE  
2850 N N   . HIS   A 164 ? 0.0616 0.0400 0.0199 0.0049  0.0090  0.0075  164 HIS   A N   
2851 C CA  . HIS   A 164 ? 0.0705 0.0281 0.0232 0.0004  0.0094  0.0059  164 HIS   A CA  
2852 C C   . HIS   A 164 ? 0.0509 0.0442 0.0139 -0.0008 0.0028  0.0053  164 HIS   A C   
2853 O O   . HIS   A 164 ? 0.0726 0.0331 0.0293 0.0017  0.0113  0.0047  164 HIS   A O   
2854 C CB  . HIS   A 164 ? 0.0559 0.0450 0.0261 0.0009  0.0001  0.0040  164 HIS   A CB  
2855 C CG  . HIS   A 164 ? 0.0613 0.0362 0.0339 -0.0017 -0.0035 0.0014  164 HIS   A CG  
2856 N ND1 . HIS   A 164 ? 0.0837 0.0435 0.0401 0.0026  0.0077  0.0036  164 HIS   A ND1 
2857 C CD2 . HIS   A 164 ? 0.0890 0.0343 0.0394 0.0081  0.0031  0.0008  164 HIS   A CD2 
2858 C CE1 . HIS   A 164 ? 0.1058 0.0269 0.0495 -0.0018 0.0080  -0.0020 164 HIS   A CE1 
2859 N NE2 . HIS   A 164 ? 0.0873 0.0400 0.0408 0.0121  0.0039  -0.0054 164 HIS   A NE2 
2867 N N   . TRP   A 165 ? 0.0613 0.0276 0.0196 0.0015  0.0010  0.0063  165 TRP   A N   
2868 C CA  A TRP   A 165 ? 0.0751 0.0219 0.0200 0.0118  -0.0002 -0.0002 165 TRP   A CA  
2869 C CA  B TRP   A 165 ? 0.0529 0.0495 0.0269 -0.0230 0.0066  0.0061  165 TRP   A CA  
2870 C C   . TRP   A 165 ? 0.0656 0.0171 0.0174 -0.0027 0.0045  -0.0007 165 TRP   A C   
2871 O O   . TRP   A 165 ? 0.0650 0.0293 0.0222 -0.0032 0.0011  0.0062  165 TRP   A O   
2872 C CB  A TRP   A 165 ? 0.0673 0.0224 0.0181 0.0148  0.0028  0.0008  165 TRP   A CB  
2873 C CB  B TRP   A 165 ? 0.0395 0.0759 0.0343 -0.0273 -0.0039 -0.0037 165 TRP   A CB  
2874 C CG  A TRP   A 165 ? 0.0265 0.0273 0.0119 -0.0033 -0.0050 -0.0066 165 TRP   A CG  
2875 C CG  B TRP   A 165 ? 0.0860 0.0687 0.0425 0.0241  0.0115  -0.0065 165 TRP   A CG  
2876 C CD1 A TRP   A 165 ? 0.0809 0.0359 0.0222 0.0133  -0.0014 -0.0038 165 TRP   A CD1 
2877 C CD1 B TRP   A 165 ? 0.0685 0.0999 0.0515 0.0001  0.0000  0.0008  165 TRP   A CD1 
2878 C CD2 A TRP   A 165 ? 0.0371 0.0133 0.0137 -0.0070 0.0060  -0.0032 165 TRP   A CD2 
2879 C CD2 B TRP   A 165 ? 0.0586 0.0956 0.0513 0.0239  -0.0136 -0.0213 165 TRP   A CD2 
2880 N NE1 A TRP   A 165 ? 0.0452 0.0447 0.0207 0.0080  -0.0068 -0.0132 165 TRP   A NE1 
2881 N NE1 B TRP   A 165 ? 0.0505 0.1234 0.0615 -0.0012 -0.0165 -0.0101 165 TRP   A NE1 
2882 C CE2 A TRP   A 165 ? 0.0360 0.0353 0.0220 0.0002  -0.0005 -0.0159 165 TRP   A CE2 
2883 C CE2 B TRP   A 165 ? 0.0380 0.1148 0.0603 0.0018  -0.0099 -0.0263 165 TRP   A CE2 
2884 C CE3 A TRP   A 165 ? 0.0086 0.0284 0.0280 0.0006  0.0002  -0.0063 165 TRP   A CE3 
2885 C CE3 B TRP   A 165 ? 0.0516 0.0779 0.0734 -0.0197 -0.0160 -0.0230 165 TRP   A CE3 
2886 C CZ2 A TRP   A 165 ? 0.0388 0.0708 0.0436 0.0241  -0.0156 -0.0281 165 TRP   A CZ2 
2887 C CZ2 B TRP   A 165 ? 0.0408 0.1178 0.0700 0.0192  -0.0113 -0.0382 165 TRP   A CZ2 
2888 C CZ3 A TRP   A 165 ? 0.0296 0.0557 0.0496 0.0029  -0.0052 0.0021  165 TRP   A CZ3 
2889 C CZ3 B TRP   A 165 ? 0.0636 0.0628 0.0818 0.0123  -0.0057 -0.0184 165 TRP   A CZ3 
2890 C CH2 A TRP   A 165 ? 0.0413 0.0564 0.0557 0.0159  -0.0195 -0.0233 165 TRP   A CH2 
2891 C CH2 B TRP   A 165 ? 0.0256 0.0858 0.0854 0.0108  -0.0001 -0.0081 165 TRP   A CH2 
2912 N N   . VAL   A 166 ? 0.0616 0.0204 0.0232 -0.0070 -0.0055 0.0027  166 VAL   A N   
2913 C CA  . VAL   A 166 ? 0.0782 0.0247 0.0238 -0.0010 -0.0014 0.0046  166 VAL   A CA  
2914 C C   . VAL   A 166 ? 0.0642 0.0336 0.0186 -0.0059 -0.0036 0.0061  166 VAL   A C   
2915 O O   . VAL   A 166 ? 0.0733 0.0316 0.0643 -0.0063 -0.0121 0.0129  166 VAL   A O   
2916 C CB  . VAL   A 166 ? 0.0824 0.0408 0.0316 0.0038  -0.0102 -0.0011 166 VAL   A CB  
2917 C CG1 . VAL   A 166 ? 0.1083 0.1133 0.0515 0.0268  -0.0135 -0.0327 166 VAL   A CG1 
2918 C CG2 . VAL   A 166 ? 0.0993 0.0567 0.0369 0.0198  0.0022  -0.0151 166 VAL   A CG2 
2928 N N   . THR   A 167 ? 0.0843 0.0252 0.0270 -0.0059 -0.0086 0.0044  167 THR   A N   
2929 C CA  . THR   A 167 ? 0.0698 0.0244 0.0325 -0.0040 -0.0090 0.0042  167 THR   A CA  
2930 C C   . THR   A 167 ? 0.0771 0.0196 0.0329 -0.0018 0.0036  0.0014  167 THR   A C   
2931 O O   . THR   A 167 ? 0.0940 0.0313 0.0338 -0.0029 -0.0138 0.0041  167 THR   A O   
2932 C CB  . THR   A 167 ? 0.1006 0.0324 0.0318 0.0113  -0.0025 0.0025  167 THR   A CB  
2933 O OG1 . THR   A 167 ? 0.1065 0.0415 0.0442 0.0109  0.0027  0.0018  167 THR   A OG1 
2934 C CG2 . THR   A 167 ? 0.1227 0.0678 0.0491 0.0042  0.0157  -0.0044 167 THR   A CG2 
2942 N N   . GLN   A 168 ? 0.0729 0.0318 0.0331 -0.0082 -0.0088 0.0054  168 GLN   A N   
2943 C CA  . GLN   A 168 ? 0.0783 0.0346 0.0303 0.0021  -0.0090 0.0031  168 GLN   A CA  
2944 C C   . GLN   A 168 ? 0.0834 0.0463 0.0291 0.0034  -0.0137 0.0050  168 GLN   A C   
2945 O O   . GLN   A 168 ? 0.1008 0.0373 0.0435 -0.0012 -0.0111 0.0041  168 GLN   A O   
2946 C CB  . GLN   A 168 ? 0.0942 0.0768 0.0282 0.0096  0.0010  0.0021  168 GLN   A CB  
2947 C CG  . GLN   A 168 ? 0.0825 0.0980 0.0355 0.0105  0.0065  0.0063  168 GLN   A CG  
2948 C CD  . GLN   A 168 ? 0.0856 0.1120 0.0434 -0.0147 0.0043  -0.0029 168 GLN   A CD  
2949 O OE1 . GLN   A 168 ? 0.1343 0.1451 0.0703 -0.0378 0.0347  -0.0380 168 GLN   A OE1 
2950 N NE2 . GLN   A 168 ? 0.1077 0.1102 0.0723 -0.0145 0.0269  -0.0102 168 GLN   A NE2 
2959 N N   . ARG   A 169 ? 0.0868 0.0587 0.0464 0.0156  -0.0090 0.0014  169 ARG   A N   
2960 C CA  . ARG   A 169 ? 0.0888 0.0750 0.0524 0.0069  -0.0004 0.0097  169 ARG   A CA  
2961 C C   . ARG   A 169 ? 0.0881 0.0679 0.0604 0.0097  0.0039  0.0018  169 ARG   A C   
2962 O O   . ARG   A 169 ? 0.1118 0.0885 0.0573 0.0232  -0.0088 0.0124  169 ARG   A O   
2963 C CB  . ARG   A 169 ? 0.1006 0.1133 0.0506 0.0174  0.0053  0.0176  169 ARG   A CB  
2964 C CG  . ARG   A 169 ? 0.1132 0.1055 0.0566 0.0043  0.0097  0.0092  169 ARG   A CG  
2965 C CD  . ARG   A 169 ? 0.0987 0.1024 0.0680 0.0184  0.0077  0.0266  169 ARG   A CD  
2966 N NE  . ARG   A 169 ? 0.1137 0.0722 0.0670 0.0065  0.0013  -0.0021 169 ARG   A NE  
2967 C CZ  . ARG   A 169 ? 0.1304 0.0531 0.0829 0.0232  0.0211  -0.0072 169 ARG   A CZ  
2968 N NH1 . ARG   A 169 ? 0.1902 0.0865 0.0872 0.0334  -0.0012 -0.0003 169 ARG   A NH1 
2969 N NH2 . ARG   A 169 ? 0.1288 0.0776 0.0813 0.0201  -0.0090 -0.0065 169 ARG   A NH2 
2983 N N   . PRO   A 170 ? 0.1101 0.0837 0.0768 0.0134  -0.0077 0.0204  170 PRO   A N   
2984 C CA  . PRO   A 170 ? 0.1270 0.0786 0.0920 0.0139  -0.0041 0.0352  170 PRO   A CA  
2985 C C   . PRO   A 170 ? 0.1340 0.1181 0.0789 0.0148  -0.0134 0.0421  170 PRO   A C   
2986 O O   . PRO   A 170 ? 0.1272 0.1478 0.0934 0.0244  -0.0172 0.0284  170 PRO   A O   
2987 C CB  . PRO   A 170 ? 0.1628 0.0875 0.1207 0.0119  -0.0060 0.0327  170 PRO   A CB  
2988 C CG  . PRO   A 170 ? 0.1868 0.0910 0.1210 0.0339  -0.0052 0.0106  170 PRO   A CG  
2989 C CD  . PRO   A 170 ? 0.1289 0.0843 0.0987 0.0210  -0.0035 0.0021  170 PRO   A CD  
2997 N N   . GLY   A 171 ? 0.1511 0.1013 0.0652 0.0139  -0.0067 0.0366  171 GLY   A N   
2998 C CA  . GLY   A 171 ? 0.1685 0.1389 0.0716 0.0386  -0.0064 0.0390  171 GLY   A CA  
2999 C C   . GLY   A 171 ? 0.1163 0.1323 0.0610 0.0301  -0.0148 0.0179  171 GLY   A C   
3000 O O   . GLY   A 171 ? 0.1819 0.1775 0.0641 0.0122  -0.0318 0.0086  171 GLY   A O   
3004 N N   . ARG   A 172 ? 0.1341 0.1034 0.0585 0.0165  -0.0088 0.0150  172 ARG   A N   
3005 C CA  . ARG   A 172 ? 0.0988 0.1063 0.0601 0.0014  -0.0191 0.0118  172 ARG   A CA  
3006 C C   . ARG   A 172 ? 0.1013 0.1165 0.0474 0.0048  0.0089  0.0169  172 ARG   A C   
3007 O O   . ARG   A 172 ? 0.1113 0.1367 0.0770 0.0084  0.0110  0.0226  172 ARG   A O   
3008 C CB  . ARG   A 172 ? 0.1233 0.0907 0.0706 0.0035  -0.0027 0.0041  172 ARG   A CB  
3009 C CG  . ARG   A 172 ? 0.1400 0.1278 0.0751 0.0092  0.0105  -0.0001 172 ARG   A CG  
3010 C CD  . ARG   A 172 ? 0.1569 0.1257 0.0747 0.0255  0.0082  0.0130  172 ARG   A CD  
3011 N NE  . ARG   A 172 ? 0.1277 0.1369 0.0758 0.0163  0.0113  0.0163  172 ARG   A NE  
3012 C CZ  . ARG   A 172 ? 0.1194 0.0774 0.0846 0.0137  -0.0276 -0.0060 172 ARG   A CZ  
3013 N NH1 . ARG   A 172 ? 0.1450 0.1219 0.0890 0.0091  0.0096  0.0002  172 ARG   A NH1 
3014 N NH2 . ARG   A 172 ? 0.1079 0.0944 0.0730 0.0132  0.0125  -0.0060 172 ARG   A NH2 
3028 N N   . GLY   A 173 ? 0.0973 0.0920 0.0491 -0.0050 -0.0013 0.0064  173 GLY   A N   
3029 C CA  . GLY   A 173 ? 0.1207 0.0808 0.0529 0.0162  0.0114  -0.0072 173 GLY   A CA  
3030 C C   . GLY   A 173 ? 0.0872 0.0860 0.0582 0.0063  -0.0091 -0.0262 173 GLY   A C   
3031 O O   . GLY   A 173 ? 0.1322 0.1007 0.0915 0.0257  -0.0265 -0.0292 173 GLY   A O   
3035 N N   . LEU   A 174 ? 0.1716 0.0712 0.0652 0.0437  -0.0414 -0.0165 174 LEU   A N   
3036 C CA  . LEU   A 174 ? 0.1389 0.0480 0.0393 0.0047  -0.0130 -0.0055 174 LEU   A CA  
3037 C C   . LEU   A 174 ? 0.0865 0.0333 0.0477 0.0036  -0.0260 -0.0111 174 LEU   A C   
3038 O O   . LEU   A 174 ? 0.1141 0.0646 0.0592 -0.0037 -0.0182 -0.0255 174 LEU   A O   
3039 C CB  . LEU   A 174 ? 0.1359 0.0585 0.0451 0.0129  0.0032  -0.0073 174 LEU   A CB  
3040 C CG  . LEU   A 174 ? 0.1656 0.0736 0.0701 0.0121  0.0103  -0.0028 174 LEU   A CG  
3041 C CD1 . LEU   A 174 ? 0.1777 0.0655 0.0561 -0.0029 0.0073  -0.0004 174 LEU   A CD1 
3042 C CD2 . LEU   A 174 ? 0.1886 0.0856 0.0962 -0.0189 0.0472  -0.0132 174 LEU   A CD2 
3054 N N   . GLU   A 175 ? 0.0925 0.0313 0.0292 -0.0027 -0.0120 0.0018  175 GLU   A N   
3055 C CA  . GLU   A 175 ? 0.0581 0.0434 0.0471 -0.0049 -0.0084 -0.0012 175 GLU   A CA  
3056 C C   . GLU   A 175 ? 0.0540 0.0343 0.0460 -0.0034 0.0031  -0.0025 175 GLU   A C   
3057 O O   . GLU   A 175 ? 0.0934 0.0329 0.0627 -0.0151 -0.0231 0.0123  175 GLU   A O   
3058 C CB  . GLU   A 175 ? 0.0774 0.0539 0.0488 -0.0004 -0.0063 0.0075  175 GLU   A CB  
3059 C CG  . GLU   A 175 ? 0.0994 0.0521 0.0532 0.0136  0.0063  -0.0006 175 GLU   A CG  
3060 C CD  . GLU   A 175 ? 0.0964 0.0540 0.0606 -0.0017 -0.0018 0.0092  175 GLU   A CD  
3061 O OE1 . GLU   A 175 ? 0.1139 0.0628 0.0614 0.0071  0.0170  0.0037  175 GLU   A OE1 
3062 O OE2 . GLU   A 175 ? 0.1154 0.0733 0.0649 0.0250  0.0130  0.0083  175 GLU   A OE2 
3069 N N   . TRP   A 176 ? 0.0781 0.0209 0.0388 -0.0049 -0.0054 0.0041  176 TRP   A N   
3070 C CA  . TRP   A 176 ? 0.0647 0.0300 0.0326 -0.0062 -0.0003 0.0038  176 TRP   A CA  
3071 C C   . TRP   A 176 ? 0.0749 0.0200 0.0309 0.0026  0.0075  0.0033  176 TRP   A C   
3072 O O   . TRP   A 176 ? 0.0724 0.0514 0.0360 -0.0111 0.0048  -0.0043 176 TRP   A O   
3073 C CB  . TRP   A 176 ? 0.0951 0.0295 0.0293 0.0000  -0.0002 -0.0033 176 TRP   A CB  
3074 C CG  . TRP   A 176 ? 0.0796 0.0275 0.0346 -0.0001 0.0041  -0.0022 176 TRP   A CG  
3075 C CD1 . TRP   A 176 ? 0.0984 0.0255 0.0441 0.0035  0.0046  0.0037  176 TRP   A CD1 
3076 C CD2 . TRP   A 176 ? 0.0639 0.0305 0.0346 -0.0018 0.0045  -0.0045 176 TRP   A CD2 
3077 N NE1 . TRP   A 176 ? 0.0607 0.0382 0.0547 0.0006  0.0117  -0.0008 176 TRP   A NE1 
3078 C CE2 . TRP   A 176 ? 0.0854 0.0307 0.0410 0.0052  0.0006  -0.0106 176 TRP   A CE2 
3079 C CE3 . TRP   A 176 ? 0.0889 0.0417 0.0411 0.0042  0.0041  -0.0132 176 TRP   A CE3 
3080 C CZ2 . TRP   A 176 ? 0.1038 0.0447 0.0354 0.0122  -0.0174 -0.0033 176 TRP   A CZ2 
3081 C CZ3 . TRP   A 176 ? 0.1077 0.0552 0.0276 0.0026  -0.0029 0.0039  176 TRP   A CZ3 
3082 C CH2 . TRP   A 176 ? 0.1585 0.0469 0.0407 0.0039  -0.0069 0.0017  176 TRP   A CH2 
3093 N N   . ILE   A 177 ? 0.0645 0.0230 0.0235 0.0014  -0.0031 0.0011  177 ILE   A N   
3094 C CA  . ILE   A 177 ? 0.0478 0.0290 0.0295 0.0026  0.0053  0.0059  177 ILE   A CA  
3095 C C   . ILE   A 177 ? 0.0797 0.0225 0.0230 -0.0052 0.0000  0.0024  177 ILE   A C   
3096 O O   . ILE   A 177 ? 0.0739 0.0326 0.0291 -0.0024 0.0076  0.0110  177 ILE   A O   
3097 C CB  . ILE   A 177 ? 0.0673 0.0239 0.0226 0.0023  -0.0029 0.0061  177 ILE   A CB  
3098 C CG1 . ILE   A 177 ? 0.0839 0.0306 0.0299 0.0062  0.0027  0.0064  177 ILE   A CG1 
3099 C CG2 . ILE   A 177 ? 0.0826 0.0379 0.0298 -0.0079 0.0030  0.0025  177 ILE   A CG2 
3100 C CD1 . ILE   A 177 ? 0.0804 0.0306 0.0372 0.0027  -0.0034 0.0059  177 ILE   A CD1 
3112 N N   . GLY   A 178 ? 0.0634 0.0317 0.0232 0.0059  0.0045  0.0079  178 GLY   A N   
3113 C CA  . GLY   A 178 ? 0.0769 0.0365 0.0242 0.0036  -0.0022 0.0088  178 GLY   A CA  
3114 C C   . GLY   A 178 ? 0.0732 0.0256 0.0191 0.0016  0.0057  0.0001  178 GLY   A C   
3115 O O   . GLY   A 178 ? 0.0745 0.0442 0.0263 0.0032  0.0043  0.0135  178 GLY   A O   
3119 N N   . ARG   A 179 ? 0.0566 0.0457 0.0229 0.0029  0.0002  0.0160  179 ARG   A N   
3120 C CA  . ARG   A 179 ? 0.0678 0.0482 0.0292 0.0045  -0.0003 0.0190  179 ARG   A CA  
3121 C C   . ARG   A 179 ? 0.0716 0.0369 0.0235 0.0021  0.0074  0.0091  179 ARG   A C   
3122 O O   . ARG   A 179 ? 0.0722 0.0621 0.0285 -0.0001 0.0008  0.0213  179 ARG   A O   
3123 C CB  . ARG   A 179 ? 0.0832 0.0452 0.0351 0.0212  0.0022  0.0038  179 ARG   A CB  
3124 C CG  . ARG   A 179 ? 0.0741 0.0609 0.0511 0.0048  -0.0013 -0.0009 179 ARG   A CG  
3125 C CD  . ARG   A 179 ? 0.0994 0.0669 0.0662 0.0077  -0.0108 0.0193  179 ARG   A CD  
3126 N NE  . ARG   A 179 ? 0.0982 0.0637 0.0726 0.0002  -0.0020 0.0230  179 ARG   A NE  
3127 C CZ  . ARG   A 179 ? 0.1261 0.0600 0.0697 0.0268  0.0008  0.0234  179 ARG   A CZ  
3128 N NH1 . ARG   A 179 ? 0.1230 0.0910 0.1200 0.0067  -0.0457 0.0273  179 ARG   A NH1 
3129 N NH2 . ARG   A 179 ? 0.1484 0.0550 0.0577 0.0213  -0.0021 0.0153  179 ARG   A NH2 
3143 N N   . ILE   A 180 ? 0.0698 0.0530 0.0223 0.0032  0.0071  0.0111  180 ILE   A N   
3144 C CA  . ILE   A 180 ? 0.0701 0.0522 0.0257 0.0004  -0.0051 0.0117  180 ILE   A CA  
3145 C C   . ILE   A 180 ? 0.0592 0.0485 0.0329 0.0023  0.0023  0.0033  180 ILE   A C   
3146 O O   . ILE   A 180 ? 0.0776 0.0602 0.0312 0.0125  0.0099  0.0180  180 ILE   A O   
3147 C CB  . ILE   A 180 ? 0.0620 0.0485 0.0415 0.0145  -0.0009 0.0057  180 ILE   A CB  
3148 C CG1 . ILE   A 180 ? 0.0943 0.0516 0.0398 0.0058  -0.0073 -0.0009 180 ILE   A CG1 
3149 C CG2 . ILE   A 180 ? 0.1337 0.0504 0.0462 -0.0015 -0.0040 0.0122  180 ILE   A CG2 
3150 C CD1 . ILE   A 180 ? 0.1107 0.0681 0.0475 -0.0020 -0.0024 -0.0090 180 ILE   A CD1 
3162 N N   . ASP   A 181 ? 0.0748 0.0564 0.0316 0.0097  0.0049  0.0198  181 ASP   A N   
3163 C CA  A ASP   A 181 ? 0.0908 0.0603 0.0372 0.0282  -0.0029 0.0132  181 ASP   A CA  
3164 C CA  B ASP   A 181 ? 0.0604 0.0661 0.0359 -0.0053 0.0243  0.0084  181 ASP   A CA  
3165 C C   . ASP   A 181 ? 0.0957 0.0501 0.0427 0.0195  -0.0014 0.0027  181 ASP   A C   
3166 O O   . ASP   A 181 ? 0.0877 0.0890 0.0388 0.0077  -0.0039 0.0037  181 ASP   A O   
3167 C CB  A ASP   A 181 ? 0.0930 0.0517 0.0543 0.0176  -0.0214 0.0084  181 ASP   A CB  
3168 C CB  B ASP   A 181 ? 0.0570 0.0666 0.0465 -0.0114 0.0261  0.0114  181 ASP   A CB  
3169 C CG  A ASP   A 181 ? 0.0774 0.0561 0.0632 0.0189  -0.0060 0.0025  181 ASP   A CG  
3170 C CG  B ASP   A 181 ? 0.0890 0.0674 0.0471 -0.0244 0.0193  0.0138  181 ASP   A CG  
3171 O OD1 A ASP   A 181 ? 0.0865 0.0709 0.0854 0.0057  -0.0058 -0.0161 181 ASP   A OD1 
3172 O OD1 B ASP   A 181 ? 0.0746 0.0533 0.0515 0.0133  0.0171  -0.0215 181 ASP   A OD1 
3173 O OD2 A ASP   A 181 ? 0.0858 0.0566 0.0676 0.0082  -0.0119 0.0126  181 ASP   A OD2 
3174 O OD2 B ASP   A 181 ? 0.1190 0.0749 0.0654 0.0388  0.0136  0.0285  181 ASP   A OD2 
3183 N N   . PRO   A 182 ? 0.0890 0.0520 0.0671 0.0049  0.0174  0.0079  182 PRO   A N   
3184 C CA  A PRO   A 182 ? 0.1520 0.0457 0.0952 -0.0175 0.0012  -0.0157 182 PRO   A CA  
3185 C CA  B PRO   A 182 ? 0.1042 0.0677 0.0911 0.0062  0.0123  -0.0161 182 PRO   A CA  
3186 C C   . PRO   A 182 ? 0.0692 0.0955 0.1019 0.0054  -0.0150 -0.0105 182 PRO   A C   
3187 O O   . PRO   A 182 ? 0.1585 0.1392 0.1125 -0.0005 -0.0416 -0.0414 182 PRO   A O   
3188 C CB  A PRO   A 182 ? 0.1958 0.0673 0.1141 -0.0450 0.0128  -0.0072 182 PRO   A CB  
3189 C CB  B PRO   A 182 ? 0.0647 0.0833 0.1032 -0.0052 0.0144  -0.0033 182 PRO   A CB  
3190 C CG  A PRO   A 182 ? 0.1587 0.0560 0.1017 0.0038  0.0465  0.0079  182 PRO   A CG  
3191 C CG  B PRO   A 182 ? 0.0898 0.0747 0.0898 -0.0097 0.0181  0.0181  182 PRO   A CG  
3192 C CD  A PRO   A 182 ? 0.1270 0.0619 0.0774 0.0003  0.0328  0.0115  182 PRO   A CD  
3193 C CD  B PRO   A 182 ? 0.0798 0.0732 0.0732 0.0222  0.0171  0.0134  182 PRO   A CD  
3208 N N   . ASN   A 183 ? 0.0951 0.0638 0.0974 0.0033  -0.0106 -0.0079 183 ASN   A N   
3209 C CA  A ASN   A 183 ? 0.0602 0.1274 0.0984 0.0108  0.0068  0.0002  183 ASN   A CA  
3210 C CA  B ASN   A 183 ? 0.1186 0.1007 0.1087 0.0145  -0.0329 -0.0158 183 ASN   A CA  
3211 C C   . ASN   A 183 ? 0.1191 0.1179 0.0878 0.0383  -0.0316 -0.0086 183 ASN   A C   
3212 O O   . ASN   A 183 ? 0.1788 0.1935 0.0976 0.0028  -0.0679 0.0118  183 ASN   A O   
3213 C CB  A ASN   A 183 ? 0.1024 0.1267 0.1021 0.0578  0.0225  0.0240  183 ASN   A CB  
3214 C CB  B ASN   A 183 ? 0.1437 0.1295 0.1358 0.0235  -0.0511 -0.0257 183 ASN   A CB  
3215 C CG  A ASN   A 183 ? 0.1146 0.1081 0.1286 -0.0065 0.0131  0.0190  183 ASN   A CG  
3216 C CG  B ASN   A 183 ? 0.1504 0.1502 0.1630 0.0001  -0.0383 -0.0347 183 ASN   A CG  
3217 O OD1 A ASN   A 183 ? 0.2285 0.1671 0.1483 -0.0022 -0.0112 0.0297  183 ASN   A OD1 
3218 O OD1 B ASN   A 183 ? 0.1854 0.1972 0.1794 -0.0211 -0.0162 -0.0278 183 ASN   A OD1 
3219 N ND2 A ASN   A 183 ? 0.1228 0.1852 0.1349 0.0141  0.0076  0.0550  183 ASN   A ND2 
3220 N ND2 B ASN   A 183 ? 0.2499 0.1814 0.1668 -0.0183 -0.0164 -0.0254 183 ASN   A ND2 
3233 N N   . SER   A 184 ? 0.0922 0.1791 0.0652 0.0176  -0.0249 0.0162  184 SER   A N   
3234 C CA  . SER   A 184 ? 0.1075 0.1634 0.0649 0.0360  -0.0161 0.0282  184 SER   A CA  
3235 C C   . SER   A 184 ? 0.1096 0.1655 0.0565 0.0279  -0.0116 0.0267  184 SER   A C   
3236 O O   . SER   A 184 ? 0.1395 0.2262 0.0754 0.0539  0.0105  0.0401  184 SER   A O   
3237 C CB  . SER   A 184 ? 0.1440 0.1523 0.0737 0.0407  -0.0013 0.0440  184 SER   A CB  
3238 O OG  . SER   A 184 ? 0.1195 0.1192 0.0650 0.0348  0.0001  0.0392  184 SER   A OG  
3244 N N   . GLY   A 185 ? 0.1024 0.1343 0.0373 0.0034  -0.0088 0.0139  185 GLY   A N   
3245 C CA  . GLY   A 185 ? 0.1304 0.1004 0.0415 -0.0029 -0.0108 0.0054  185 GLY   A CA  
3246 C C   . GLY   A 185 ? 0.0958 0.0793 0.0401 -0.0090 -0.0146 0.0151  185 GLY   A C   
3247 O O   . GLY   A 185 ? 0.1092 0.0817 0.0593 0.0122  0.0016  0.0014  185 GLY   A O   
3251 N N   . PHE   A 186 ? 0.0772 0.0877 0.0425 0.0004  -0.0010 0.0250  186 PHE   A N   
3252 C CA  . PHE   A 186 ? 0.0848 0.0702 0.0399 0.0024  -0.0005 0.0233  186 PHE   A CA  
3253 C C   . PHE   A 186 ? 0.0574 0.0803 0.0404 0.0033  0.0018  0.0279  186 PHE   A C   
3254 O O   . PHE   A 186 ? 0.0879 0.1105 0.0604 0.0203  0.0116  0.0425  186 PHE   A O   
3255 C CB  . PHE   A 186 ? 0.0922 0.0678 0.0534 0.0111  0.0019  0.0255  186 PHE   A CB  
3256 C CG  . PHE   A 186 ? 0.1055 0.0670 0.0507 0.0119  0.0182  0.0151  186 PHE   A CG  
3257 C CD1 . PHE   A 186 ? 0.1398 0.0653 0.0505 -0.0232 0.0084  0.0088  186 PHE   A CD1 
3258 C CD2 . PHE   A 186 ? 0.1183 0.2134 0.0564 -0.0337 0.0044  -0.0041 186 PHE   A CD2 
3259 C CE1 . PHE   A 186 ? 0.1289 0.0735 0.0561 -0.0095 0.0142  0.0188  186 PHE   A CE1 
3260 C CE2 . PHE   A 186 ? 0.1541 0.2075 0.0574 -0.0257 0.0024  -0.0191 186 PHE   A CE2 
3261 C CZ  . PHE   A 186 ? 0.1498 0.0983 0.0562 0.0035  0.0000  -0.0021 186 PHE   A CZ  
3271 N N   . ILE   A 187 ? 0.0751 0.0564 0.0278 -0.0008 0.0017  0.0183  187 ILE   A N   
3272 C CA  . ILE   A 187 ? 0.0777 0.0500 0.0329 0.0026  0.0089  0.0187  187 ILE   A CA  
3273 C C   . ILE   A 187 ? 0.0724 0.0512 0.0268 0.0056  0.0091  0.0143  187 ILE   A C   
3274 O O   . ILE   A 187 ? 0.0848 0.0652 0.0390 -0.0033 0.0021  0.0275  187 ILE   A O   
3275 C CB  . ILE   A 187 ? 0.0840 0.0456 0.0419 0.0048  0.0025  0.0118  187 ILE   A CB  
3276 C CG1 . ILE   A 187 ? 0.1077 0.0673 0.0561 0.0078  0.0114  0.0058  187 ILE   A CG1 
3277 C CG2 . ILE   A 187 ? 0.1260 0.0628 0.0540 0.0304  0.0029  0.0038  187 ILE   A CG2 
3278 C CD1 . ILE   A 187 ? 0.1497 0.0621 0.0696 -0.0218 0.0091  -0.0047 187 ILE   A CD1 
3290 N N   . ARG   A 188 ? 0.0551 0.0645 0.0348 0.0016  0.0011  0.0182  188 ARG   A N   
3291 C CA  . ARG   A 188 ? 0.0942 0.0482 0.0404 0.0104  0.0079  0.0097  188 ARG   A CA  
3292 C C   . ARG   A 188 ? 0.0815 0.0521 0.0293 -0.0036 -0.0009 0.0166  188 ARG   A C   
3293 O O   . ARG   A 188 ? 0.0849 0.0993 0.0552 0.0088  0.0049  0.0402  188 ARG   A O   
3294 C CB  . ARG   A 188 ? 0.0944 0.0755 0.0599 -0.0114 0.0086  -0.0132 188 ARG   A CB  
3295 C CG  . ARG   A 188 ? 0.1213 0.0850 0.0637 0.0080  0.0024  -0.0049 188 ARG   A CG  
3296 C CD  . ARG   A 188 ? 0.1440 0.0751 0.0648 0.0124  -0.0014 0.0065  188 ARG   A CD  
3297 N NE  . ARG   A 188 ? 0.1479 0.0983 0.0699 0.0095  -0.0102 -0.0083 188 ARG   A NE  
3298 C CZ  . ARG   A 188 ? 0.1716 0.0946 0.0764 0.0204  -0.0224 0.0207  188 ARG   A CZ  
3299 N NH1 . ARG   A 188 ? 0.1970 0.1205 0.1069 0.0389  0.0059  -0.0083 188 ARG   A NH1 
3300 N NH2 . ARG   A 188 ? 0.1987 0.1252 0.0924 0.0253  -0.0028 0.0042  188 ARG   A NH2 
3314 N N   . TYR   A 189 ? 0.0687 0.0491 0.0455 0.0022  0.0167  0.0177  189 TYR   A N   
3315 C CA  . TYR   A 189 ? 0.0715 0.0378 0.0412 -0.0048 0.0059  0.0133  189 TYR   A CA  
3316 C C   . TYR   A 189 ? 0.0952 0.0358 0.0471 0.0043  0.0158  0.0147  189 TYR   A C   
3317 O O   . TYR   A 189 ? 0.1016 0.0463 0.0706 -0.0152 0.0026  0.0266  189 TYR   A O   
3318 C CB  . TYR   A 189 ? 0.0846 0.0520 0.0505 -0.0018 0.0089  0.0034  189 TYR   A CB  
3319 C CG  . TYR   A 189 ? 0.0630 0.0517 0.0489 0.0031  0.0119  0.0127  189 TYR   A CG  
3320 C CD1 . TYR   A 189 ? 0.0869 0.0413 0.0423 0.0039  -0.0017 0.0164  189 TYR   A CD1 
3321 C CD2 . TYR   A 189 ? 0.0934 0.0477 0.0432 -0.0036 0.0138  0.0114  189 TYR   A CD2 
3322 C CE1 . TYR   A 189 ? 0.0984 0.0371 0.0467 -0.0096 0.0035  0.0120  189 TYR   A CE1 
3323 C CE2 . TYR   A 189 ? 0.0992 0.0518 0.0388 -0.0069 0.0084  0.0173  189 TYR   A CE2 
3324 C CZ  . TYR   A 189 ? 0.0817 0.0427 0.0420 0.0095  0.0055  -0.0006 189 TYR   A CZ  
3325 O OH  . TYR   A 189 ? 0.1085 0.0495 0.0393 -0.0148 0.0033  0.0124  189 TYR   A OH  
3335 N N   . ASP   A 190 ? 0.0778 0.0383 0.0441 -0.0036 0.0126  0.0082  190 ASP   A N   
3336 C CA  . ASP   A 190 ? 0.0732 0.0412 0.0452 -0.0011 0.0017  -0.0005 190 ASP   A CA  
3337 C C   . ASP   A 190 ? 0.0859 0.0254 0.0415 -0.0076 0.0019  0.0071  190 ASP   A C   
3338 O O   . ASP   A 190 ? 0.0884 0.0393 0.0498 -0.0066 0.0057  -0.0046 190 ASP   A O   
3339 C CB  . ASP   A 190 ? 0.0962 0.0396 0.0441 0.0041  0.0086  0.0063  190 ASP   A CB  
3340 C CG  . ASP   A 190 ? 0.0926 0.0497 0.0521 0.0036  -0.0018 0.0043  190 ASP   A CG  
3341 O OD1 . ASP   A 190 ? 0.1247 0.0669 0.0864 0.0136  -0.0116 -0.0264 190 ASP   A OD1 
3342 O OD2 . ASP   A 190 ? 0.0924 0.0869 0.0588 0.0177  -0.0038 -0.0093 190 ASP   A OD2 
3347 N N   . GLU   A 191 ? 0.0950 0.0402 0.0396 -0.0065 0.0177  -0.0010 191 GLU   A N   
3348 C CA  . GLU   A 191 ? 0.1186 0.0390 0.0523 -0.0114 0.0172  0.0086  191 GLU   A CA  
3349 C C   . GLU   A 191 ? 0.0780 0.0640 0.0593 -0.0072 0.0275  0.0007  191 GLU   A C   
3350 O O   . GLU   A 191 ? 0.1309 0.0666 0.0677 0.0174  0.0415  0.0077  191 GLU   A O   
3351 C CB  . GLU   A 191 ? 0.0991 0.0684 0.0858 -0.0184 0.0316  0.0105  191 GLU   A CB  
3352 C CG  . GLU   A 191 ? 0.1413 0.0717 0.0891 -0.0363 0.0237  0.0014  191 GLU   A CG  
3353 C CD  . GLU   A 191 ? 0.1499 0.0817 0.0902 -0.0048 0.0151  0.0158  191 GLU   A CD  
3354 O OE1 . GLU   A 191 ? 0.1411 0.1469 0.0937 -0.0120 0.0239  -0.0075 191 GLU   A OE1 
3355 O OE2 . GLU   A 191 ? 0.1570 0.1207 0.0791 -0.0137 0.0174  0.0254  191 GLU   A OE2 
3362 N N   . ARG   A 192 ? 0.0921 0.0357 0.0495 -0.0020 0.0144  -0.0007 192 ARG   A N   
3363 C CA  . ARG   A 192 ? 0.0665 0.0498 0.0700 -0.0036 0.0175  -0.0063 192 ARG   A CA  
3364 C C   . ARG   A 192 ? 0.0993 0.0470 0.0635 0.0165  0.0267  0.0032  192 ARG   A C   
3365 O O   . ARG   A 192 ? 0.1173 0.0598 0.0921 0.0113  0.0086  -0.0072 192 ARG   A O   
3366 C CB  . ARG   A 192 ? 0.0752 0.0556 0.0650 0.0048  -0.0079 0.0108  192 ARG   A CB  
3367 C CG  . ARG   A 192 ? 0.0767 0.0695 0.0746 -0.0012 0.0022  0.0008  192 ARG   A CG  
3368 C CD  . ARG   A 192 ? 0.1053 0.0565 0.0759 -0.0054 -0.0180 0.0151  192 ARG   A CD  
3369 N NE  . ARG   A 192 ? 0.0652 0.0651 0.0815 -0.0163 -0.0015 0.0111  192 ARG   A NE  
3370 C CZ  . ARG   A 192 ? 0.0821 0.0716 0.0819 -0.0037 -0.0088 0.0066  192 ARG   A CZ  
3371 N NH1 . ARG   A 192 ? 0.0967 0.0685 0.0757 -0.0187 0.0059  0.0053  192 ARG   A NH1 
3372 N NH2 . ARG   A 192 ? 0.0928 0.0674 0.0949 -0.0194 -0.0031 -0.0036 192 ARG   A NH2 
3386 N N   . PHE   A 193 ? 0.0872 0.0322 0.0502 -0.0030 0.0134  0.0026  193 PHE   A N   
3387 C CA  . PHE   A 193 ? 0.1097 0.0370 0.0407 -0.0145 0.0160  0.0017  193 PHE   A CA  
3388 C C   . PHE   A 193 ? 0.1033 0.0448 0.0470 -0.0064 0.0196  -0.0097 193 PHE   A C   
3389 O O   . PHE   A 193 ? 0.1321 0.0447 0.0484 -0.0264 0.0150  -0.0040 193 PHE   A O   
3390 C CB  . PHE   A 193 ? 0.1040 0.0417 0.0429 -0.0091 0.0251  -0.0035 193 PHE   A CB  
3391 C CG  . PHE   A 193 ? 0.0722 0.0376 0.0500 0.0040  0.0191  0.0079  193 PHE   A CG  
3392 C CD1 . PHE   A 193 ? 0.1309 0.0526 0.0567 -0.0014 0.0344  -0.0034 193 PHE   A CD1 
3393 C CD2 . PHE   A 193 ? 0.0829 0.0417 0.0483 0.0046  0.0123  0.0068  193 PHE   A CD2 
3394 C CE1 . PHE   A 193 ? 0.1097 0.0601 0.0746 0.0142  0.0353  0.0229  193 PHE   A CE1 
3395 C CE2 . PHE   A 193 ? 0.0618 0.0762 0.0599 -0.0077 0.0031  0.0157  193 PHE   A CE2 
3396 C CZ  . PHE   A 193 ? 0.0555 0.1109 0.0657 0.0144  0.0131  0.0250  193 PHE   A CZ  
3406 N N   . LYS   A 194 ? 0.1031 0.0505 0.0441 -0.0184 0.0140  0.0126  194 LYS   A N   
3407 C CA  . LYS   A 194 ? 0.1017 0.0658 0.0428 0.0052  0.0143  -0.0008 194 LYS   A CA  
3408 C C   . LYS   A 194 ? 0.1015 0.0711 0.0565 -0.0002 0.0135  0.0038  194 LYS   A C   
3409 O O   . LYS   A 194 ? 0.1556 0.1169 0.0592 0.0151  -0.0109 -0.0192 194 LYS   A O   
3410 C CB  . LYS   A 194 ? 0.1223 0.0521 0.0492 -0.0073 0.0130  0.0171  194 LYS   A CB  
3411 C CG  . LYS   A 194 ? 0.1006 0.0666 0.0606 -0.0087 0.0069  0.0161  194 LYS   A CG  
3412 C CD  . LYS   A 194 ? 0.0976 0.0744 0.0690 0.0027  0.0064  0.0242  194 LYS   A CD  
3413 C CE  . LYS   A 194 ? 0.1162 0.0917 0.0807 0.0086  0.0114  0.0299  194 LYS   A CE  
3414 N NZ  . LYS   A 194 ? 0.1302 0.0730 0.0744 0.0022  0.0136  0.0299  194 LYS   A NZ  
3428 N N   . THR   A 195 ? 0.1260 0.0585 0.0508 -0.0030 0.0283  -0.0040 195 THR   A N   
3429 C CA  . THR   A 195 ? 0.1887 0.0804 0.0737 0.0229  0.0296  -0.0036 195 THR   A CA  
3430 C C   . THR   A 195 ? 0.1498 0.0629 0.0869 0.0226  -0.0087 -0.0310 195 THR   A C   
3431 O O   . THR   A 195 ? 0.4025 0.1137 0.1165 0.0127  -0.0136 -0.0141 195 THR   A O   
3432 C CB  . THR   A 195 ? 0.2074 0.1533 0.1122 0.0633  0.0691  0.0087  195 THR   A CB  
3433 O OG1 . THR   A 195 ? 0.1838 0.1648 0.1370 0.0152  0.0414  -0.0038 195 THR   A OG1 
3434 C CG2 . THR   A 195 ? 0.2138 0.2223 0.1353 0.0298  0.0905  0.0350  195 THR   A CG2 
3442 N N   . LYS   A 196 ? 0.1051 0.0522 0.0801 -0.0168 0.0286  -0.0287 196 LYS   A N   
3443 C CA  . LYS   A 196 ? 0.1043 0.0386 0.0910 -0.0115 0.0240  -0.0196 196 LYS   A CA  
3444 C C   . LYS   A 196 ? 0.0957 0.0345 0.0839 -0.0165 0.0094  -0.0163 196 LYS   A C   
3445 O O   . LYS   A 196 ? 0.1126 0.0524 0.1416 -0.0037 0.0289  -0.0318 196 LYS   A O   
3446 C CB  . LYS   A 196 ? 0.1013 0.0528 0.0862 -0.0021 0.0042  -0.0043 196 LYS   A CB  
3447 C CG  . LYS   A 196 ? 0.1295 0.0501 0.0787 -0.0029 0.0171  -0.0134 196 LYS   A CG  
3448 C CD  . LYS   A 196 ? 0.1096 0.0573 0.0764 0.0051  0.0084  -0.0021 196 LYS   A CD  
3449 C CE  . LYS   A 196 ? 0.0906 0.0462 0.0648 -0.0014 0.0095  -0.0101 196 LYS   A CE  
3450 N NZ  . LYS   A 196 ? 0.0985 0.0488 0.0570 -0.0067 0.0037  -0.0042 196 LYS   A NZ  
3464 N N   . ALA   A 197 ? 0.1009 0.0327 0.0645 -0.0032 0.0041  -0.0097 197 ALA   A N   
3465 C CA  . ALA   A 197 ? 0.0796 0.0415 0.0536 -0.0083 0.0058  0.0023  197 ALA   A CA  
3466 C C   . ALA   A 197 ? 0.0904 0.0365 0.0477 -0.0081 0.0116  -0.0055 197 ALA   A C   
3467 O O   . ALA   A 197 ? 0.1136 0.0551 0.0738 -0.0183 0.0043  0.0217  197 ALA   A O   
3468 C CB  . ALA   A 197 ? 0.0926 0.0487 0.0502 -0.0056 0.0044  -0.0140 197 ALA   A CB  
3474 N N   . THR   A 198 ? 0.0989 0.0314 0.0316 -0.0039 0.0092  0.0041  198 THR   A N   
3475 C CA  . THR   A 198 ? 0.1065 0.0368 0.0341 -0.0074 0.0100  0.0063  198 THR   A CA  
3476 C C   . THR   A 198 ? 0.0878 0.0301 0.0312 -0.0099 0.0055  0.0063  198 THR   A C   
3477 O O   . THR   A 198 ? 0.0900 0.0382 0.0495 0.0035  0.0126  0.0064  198 THR   A O   
3478 C CB  . THR   A 198 ? 0.1255 0.0546 0.0375 0.0055  0.0212  0.0007  198 THR   A CB  
3479 O OG1 . THR   A 198 ? 0.1425 0.0824 0.0484 0.0163  0.0235  0.0011  198 THR   A OG1 
3480 C CG2 . THR   A 198 ? 0.1495 0.0860 0.0379 0.0100  0.0014  0.0020  198 THR   A CG2 
3488 N N   . LEU   A 199 ? 0.1065 0.0298 0.0334 -0.0020 0.0032  0.0044  199 LEU   A N   
3489 C CA  . LEU   A 199 ? 0.1068 0.0300 0.0334 0.0010  0.0124  0.0036  199 LEU   A CA  
3490 C C   . LEU   A 199 ? 0.1136 0.0376 0.0323 -0.0015 0.0079  0.0051  199 LEU   A C   
3491 O O   . LEU   A 199 ? 0.1173 0.0582 0.0380 -0.0085 -0.0007 0.0153  199 LEU   A O   
3492 C CB  . LEU   A 199 ? 0.0995 0.0293 0.0348 0.0028  0.0146  0.0052  199 LEU   A CB  
3493 C CG  . LEU   A 199 ? 0.1052 0.0412 0.0443 -0.0004 0.0067  -0.0066 199 LEU   A CG  
3494 C CD1 . LEU   A 199 ? 0.1323 0.0437 0.0448 0.0017  0.0036  -0.0042 199 LEU   A CD1 
3495 C CD2 . LEU   A 199 ? 0.1189 0.0413 0.0432 0.0170  -0.0087 -0.0047 199 LEU   A CD2 
3507 N N   . THR   A 200 ? 0.1036 0.0383 0.0331 -0.0019 0.0000  0.0094  200 THR   A N   
3508 C CA  . THR   A 200 ? 0.1147 0.0439 0.0290 -0.0070 -0.0016 0.0013  200 THR   A CA  
3509 C C   . THR   A 200 ? 0.1318 0.0336 0.0357 0.0041  -0.0131 -0.0006 200 THR   A C   
3510 O O   . THR   A 200 ? 0.0951 0.0459 0.0292 0.0009  -0.0103 0.0039  200 THR   A O   
3511 C CB  . THR   A 200 ? 0.1320 0.0691 0.0351 0.0032  -0.0045 0.0001  200 THR   A CB  
3512 O OG1 . THR   A 200 ? 0.1325 0.0596 0.0515 -0.0107 -0.0105 -0.0084 200 THR   A OG1 
3513 C CG2 . THR   A 200 ? 0.1366 0.0839 0.0490 -0.0050 0.0039  -0.0023 200 THR   A CG2 
3521 N N   . VAL   A 201 ? 0.1119 0.0663 0.0354 0.0003  -0.0188 0.0087  201 VAL   A N   
3522 C CA  A VAL   A 201 ? 0.1338 0.0519 0.0455 0.0153  0.0187  0.0126  201 VAL   A CA  
3523 C CA  B VAL   A 201 ? 0.1540 0.1115 0.0436 0.0184  -0.0068 0.0132  201 VAL   A CA  
3524 C C   . VAL   A 201 ? 0.1314 0.1545 0.0510 0.0023  -0.0172 0.0284  201 VAL   A C   
3525 O O   . VAL   A 201 ? 0.1208 0.3014 0.0928 -0.0279 -0.0151 0.0502  201 VAL   A O   
3526 C CB  A VAL   A 201 ? 0.2554 0.0986 0.0984 0.0647  0.0617  0.0231  201 VAL   A CB  
3527 C CB  B VAL   A 201 ? 0.2431 0.1667 0.0817 0.0539  0.0291  -0.0057 201 VAL   A CB  
3528 C CG1 A VAL   A 201 ? 0.3865 0.1149 0.1037 0.0097  0.0383  0.0045  201 VAL   A CG1 
3529 C CG1 B VAL   A 201 ? 0.3392 0.2343 0.0959 0.0486  0.0271  0.0052  201 VAL   A CG1 
3530 C CG2 A VAL   A 201 ? 0.3041 0.1532 0.1282 0.1076  0.0708  0.0396  201 VAL   A CG2 
3531 C CG2 B VAL   A 201 ? 0.0432 0.1033 0.0896 0.0087  0.0255  -0.0169 201 VAL   A CG2 
3550 N N   . ASP   A 202 ? 0.1327 0.1683 0.0511 -0.0160 -0.0075 0.0268  202 ASP   A N   
3551 C CA  . ASP   A 202 ? 0.1482 0.1934 0.0616 -0.0051 -0.0300 0.0214  202 ASP   A CA  
3552 C C   . ASP   A 202 ? 0.1199 0.1716 0.0653 -0.0119 -0.0022 0.0333  202 ASP   A C   
3553 O O   . ASP   A 202 ? 0.1284 0.1714 0.0669 0.0276  0.0029  0.0449  202 ASP   A O   
3554 C CB  . ASP   A 202 ? 0.1325 0.2361 0.0626 -0.0098 -0.0055 -0.0197 202 ASP   A CB  
3555 C CG  . ASP   A 202 ? 0.1421 0.2608 0.0725 -0.0068 -0.0085 -0.0172 202 ASP   A CG  
3556 O OD1 . ASP   A 202 ? 0.1777 0.3341 0.0933 -0.0228 -0.0283 -0.0027 202 ASP   A OD1 
3557 O OD2 . ASP   A 202 ? 0.1455 0.1856 0.0934 -0.0313 -0.0112 -0.0296 202 ASP   A OD2 
3562 N N   . LYS   A 203 ? 0.1091 0.1311 0.0749 -0.0184 -0.0254 0.0489  203 LYS   A N   
3563 C CA  A LYS   A 203 ? 0.1493 0.0904 0.0973 -0.0176 -0.0225 0.0329  203 LYS   A CA  
3564 C CA  B LYS   A 203 ? 0.1460 0.0713 0.1028 -0.0300 -0.0258 0.0228  203 LYS   A CA  
3565 C C   . LYS   A 203 ? 0.1002 0.0676 0.0852 -0.0131 -0.0209 0.0160  203 LYS   A C   
3566 O O   . LYS   A 203 ? 0.1252 0.0775 0.0867 0.0012  -0.0028 0.0014  203 LYS   A O   
3567 C CB  A LYS   A 203 ? 0.1906 0.0955 0.1409 -0.0475 -0.0278 0.0435  203 LYS   A CB  
3568 C CB  B LYS   A 203 ? 0.1205 0.0726 0.1625 -0.0127 -0.0352 0.0369  203 LYS   A CB  
3569 C CG  A LYS   A 203 ? 0.2562 0.1194 0.1733 -0.0621 -0.0409 0.0570  203 LYS   A CG  
3570 C CG  B LYS   A 203 ? 0.2118 0.1031 0.2031 -0.0513 -0.0342 0.0569  203 LYS   A CG  
3571 C CD  A LYS   A 203 ? 0.3603 0.1903 0.1966 -0.0406 -0.0542 0.0477  203 LYS   A CD  
3572 C CD  B LYS   A 203 ? 0.3354 0.1473 0.2400 -0.0696 -0.0395 0.0542  203 LYS   A CD  
3573 C CE  A LYS   A 203 ? 0.4582 0.2464 0.2059 -0.0236 -0.0792 0.0531  203 LYS   A CE  
3574 C CE  B LYS   A 203 ? 0.4678 0.2212 0.2573 -0.0406 -0.0512 0.0688  203 LYS   A CE  
3575 N NZ  A LYS   A 203 ? 0.4958 0.2246 0.2086 -0.0283 -0.0813 0.0643  203 LYS   A NZ  
3576 N NZ  B LYS   A 203 ? 0.5321 0.2217 0.2670 -0.0075 -0.0572 0.0877  203 LYS   A NZ  
3601 N N   . PRO   A 204 ? 0.1300 0.0805 0.0751 -0.0173 -0.0223 0.0171  204 PRO   A N   
3602 C CA  A PRO   A 204 ? 0.1084 0.0933 0.0906 -0.0314 -0.0293 0.0231  204 PRO   A CA  
3603 C CA  B PRO   A 204 ? 0.0954 0.0967 0.0882 -0.0071 -0.0293 0.0314  204 PRO   A CA  
3604 C C   . PRO   A 204 ? 0.1075 0.0774 0.0829 -0.0175 -0.0143 0.0185  204 PRO   A C   
3605 O O   . PRO   A 204 ? 0.1238 0.0848 0.0883 -0.0016 -0.0121 0.0137  204 PRO   A O   
3606 C CB  A PRO   A 204 ? 0.1893 0.1326 0.0980 -0.0800 -0.0520 0.0215  204 PRO   A CB  
3607 C CB  B PRO   A 204 ? 0.1561 0.1474 0.0937 0.0109  -0.0488 0.0447  204 PRO   A CB  
3608 C CG  A PRO   A 204 ? 0.1333 0.1265 0.0786 -0.0133 -0.0440 -0.0069 204 PRO   A CG  
3609 C CG  B PRO   A 204 ? 0.0927 0.1716 0.0911 -0.0017 -0.0201 0.0235  204 PRO   A CG  
3610 C CD  A PRO   A 204 ? 0.1418 0.0787 0.0652 0.0165  -0.0236 0.0068  204 PRO   A CD  
3611 C CD  B PRO   A 204 ? 0.1817 0.1458 0.0801 -0.0599 -0.0151 0.0232  204 PRO   A CD  
3626 N N   . SER   A 205 ? 0.1082 0.0651 0.0842 -0.0062 -0.0289 0.0071  205 SER   A N   
3627 C CA  . SER   A 205 ? 0.0838 0.0559 0.0867 -0.0114 -0.0159 -0.0003 205 SER   A CA  
3628 C C   . SER   A 205 ? 0.1034 0.0482 0.0646 -0.0136 -0.0074 0.0086  205 SER   A C   
3629 O O   . SER   A 205 ? 0.0776 0.0678 0.0740 -0.0030 -0.0056 0.0100  205 SER   A O   
3630 C CB  . SER   A 205 ? 0.1212 0.0669 0.0940 -0.0068 -0.0346 -0.0208 205 SER   A CB  
3631 O OG  . SER   A 205 ? 0.1226 0.1182 0.0905 0.0187  -0.0109 -0.0249 205 SER   A OG  
3637 N N   . SER   A 206 ? 0.0901 0.0597 0.0545 0.0003  -0.0126 -0.0002 206 SER   A N   
3638 C CA  . SER   A 206 ? 0.0884 0.0434 0.0580 0.0044  -0.0050 -0.0071 206 SER   A CA  
3639 C C   . SER   A 206 ? 0.0730 0.0550 0.0446 -0.0074 -0.0043 -0.0021 206 SER   A C   
3640 O O   . SER   A 206 ? 0.0971 0.0919 0.0339 0.0133  0.0005  -0.0080 206 SER   A O   
3641 C CB  . SER   A 206 ? 0.0819 0.0764 0.0862 0.0130  0.0016  -0.0071 206 SER   A CB  
3642 O OG  . SER   A 206 ? 0.1089 0.1054 0.1053 0.0158  -0.0073 -0.0246 206 SER   A OG  
3648 N N   . THR   A 207 ? 0.0991 0.0548 0.0288 -0.0060 -0.0080 0.0027  207 THR   A N   
3649 C CA  . THR   A 207 ? 0.0794 0.0688 0.0363 0.0107  -0.0089 0.0053  207 THR   A CA  
3650 C C   . THR   A 207 ? 0.0984 0.0550 0.0253 -0.0050 0.0016  -0.0025 207 THR   A C   
3651 O O   . THR   A 207 ? 0.0993 0.1039 0.0336 -0.0258 -0.0055 0.0098  207 THR   A O   
3652 C CB  . THR   A 207 ? 0.0991 0.0640 0.0534 -0.0093 0.0047  -0.0015 207 THR   A CB  
3653 O OG1 . THR   A 207 ? 0.0926 0.0621 0.0785 0.0011  -0.0013 0.0125  207 THR   A OG1 
3654 C CG2 . THR   A 207 ? 0.0958 0.0573 0.0647 0.0118  -0.0108 -0.0111 207 THR   A CG2 
3662 N N   . ALA   A 208 ? 0.0795 0.0496 0.0239 -0.0006 -0.0038 -0.0104 208 ALA   A N   
3663 C CA  . ALA   A 208 ? 0.0728 0.0494 0.0328 -0.0068 -0.0014 -0.0017 208 ALA   A CA  
3664 C C   . ALA   A 208 ? 0.0871 0.0288 0.0287 -0.0073 -0.0051 0.0010  208 ALA   A C   
3665 O O   . ALA   A 208 ? 0.0919 0.0511 0.0372 0.0116  0.0050  0.0098  208 ALA   A O   
3666 C CB  . ALA   A 208 ? 0.0790 0.0536 0.0546 -0.0008 0.0022  -0.0069 208 ALA   A CB  
3672 N N   . TYR   A 209 ? 0.0719 0.0379 0.0320 0.0029  0.0073  -0.0003 209 TYR   A N   
3673 C CA  . TYR   A 209 ? 0.0819 0.0377 0.0276 -0.0139 0.0006  0.0070  209 TYR   A CA  
3674 C C   . TYR   A 209 ? 0.0917 0.0239 0.0260 0.0060  0.0032  0.0012  209 TYR   A C   
3675 O O   . TYR   A 209 ? 0.0865 0.0345 0.0398 0.0016  0.0029  0.0098  209 TYR   A O   
3676 C CB  . TYR   A 209 ? 0.0880 0.0504 0.0410 -0.0129 0.0033  -0.0118 209 TYR   A CB  
3677 C CG  . TYR   A 209 ? 0.1052 0.0587 0.0411 -0.0131 -0.0009 -0.0200 209 TYR   A CG  
3678 C CD1 . TYR   A 209 ? 0.1202 0.0562 0.0565 -0.0136 -0.0030 -0.0176 209 TYR   A CD1 
3679 C CD2 . TYR   A 209 ? 0.0982 0.0930 0.0557 -0.0038 -0.0185 -0.0120 209 TYR   A CD2 
3680 C CE1 . TYR   A 209 ? 0.1574 0.0650 0.0578 -0.0330 0.0029  -0.0147 209 TYR   A CE1 
3681 C CE2 . TYR   A 209 ? 0.1055 0.1296 0.0658 -0.0025 -0.0270 -0.0211 209 TYR   A CE2 
3682 C CZ  . TYR   A 209 ? 0.1182 0.1031 0.0638 -0.0304 -0.0038 -0.0328 209 TYR   A CZ  
3683 O OH  . TYR   A 209 ? 0.1237 0.1449 0.1012 -0.0495 -0.0079 -0.0482 209 TYR   A OH  
3693 N N   . MET   A 210 ? 0.0917 0.0268 0.0326 -0.0061 0.0031  0.0052  210 MET   A N   
3694 C CA  A MET   A 210 ? 0.0774 0.0261 0.0314 -0.0033 -0.0012 0.0089  210 MET   A CA  
3695 C CA  B MET   A 210 ? 0.0768 0.0378 0.0403 -0.0136 0.0082  0.0034  210 MET   A CA  
3696 C C   . MET   A 210 ? 0.0923 0.0312 0.0373 -0.0097 -0.0028 0.0041  210 MET   A C   
3697 O O   . MET   A 210 ? 0.1000 0.0289 0.0468 0.0031  0.0130  0.0072  210 MET   A O   
3698 C CB  A MET   A 210 ? 0.1126 0.0402 0.0317 -0.0172 -0.0064 0.0051  210 MET   A CB  
3699 C CB  B MET   A 210 ? 0.0172 0.0478 0.0506 0.0043  0.0098  -0.0045 210 MET   A CB  
3700 C CG  A MET   A 210 ? 0.1124 0.0305 0.0284 -0.0077 -0.0019 0.0000  210 MET   A CG  
3701 C CG  B MET   A 210 ? 0.0296 0.0778 0.0645 0.0133  -0.0075 -0.0194 210 MET   A CG  
3702 S SD  A MET   A 210 ? 0.0879 0.0272 0.0347 -0.0048 -0.0090 -0.0033 210 MET   A SD  
3703 S SD  B MET   A 210 ? 0.0937 0.1134 0.0771 0.0004  -0.0077 -0.0171 210 MET   A SD  
3704 C CE  A MET   A 210 ? 0.0973 0.0523 0.0303 0.0031  -0.0079 0.0019  210 MET   A CE  
3705 C CE  B MET   A 210 ? 0.0835 0.1052 0.0762 -0.0041 -0.0312 -0.0055 210 MET   A CE  
3724 N N   . GLN   A 211 ? 0.0795 0.0335 0.0312 0.0012  0.0075  -0.0027 211 GLN   A N   
3725 C CA  . GLN   A 211 ? 0.0724 0.0454 0.0385 -0.0055 0.0083  -0.0065 211 GLN   A CA  
3726 C C   . GLN   A 211 ? 0.0877 0.0307 0.0446 0.0060  0.0099  0.0008  211 GLN   A C   
3727 O O   . GLN   A 211 ? 0.0930 0.0367 0.0937 -0.0116 -0.0126 0.0167  211 GLN   A O   
3728 C CB  . GLN   A 211 ? 0.0943 0.0534 0.0413 -0.0021 0.0026  -0.0025 211 GLN   A CB  
3729 C CG  . GLN   A 211 ? 0.1094 0.0694 0.0584 0.0040  0.0122  -0.0145 211 GLN   A CG  
3730 C CD  . GLN   A 211 ? 0.1078 0.0670 0.0620 0.0140  0.0070  -0.0244 211 GLN   A CD  
3731 O OE1 . GLN   A 211 ? 0.1166 0.0689 0.0840 0.0108  0.0027  -0.0240 211 GLN   A OE1 
3732 N NE2 . GLN   A 211 ? 0.1079 0.0770 0.0779 0.0023  0.0063  -0.0225 211 GLN   A NE2 
3741 N N   . LEU   A 212 ? 0.0808 0.0274 0.0413 -0.0009 0.0035  -0.0122 212 LEU   A N   
3742 C CA  . LEU   A 212 ? 0.0820 0.0306 0.0465 0.0018  0.0035  -0.0159 212 LEU   A CA  
3743 C C   . LEU   A 212 ? 0.0839 0.0350 0.0554 0.0051  -0.0024 -0.0214 212 LEU   A C   
3744 O O   . LEU   A 212 ? 0.1039 0.0450 0.0691 0.0048  0.0109  -0.0263 212 LEU   A O   
3745 C CB  . LEU   A 212 ? 0.0806 0.0483 0.0605 0.0058  -0.0153 -0.0132 212 LEU   A CB  
3746 C CG  . LEU   A 212 ? 0.1062 0.0443 0.0503 0.0054  0.0072  -0.0052 212 LEU   A CG  
3747 C CD1 . LEU   A 212 ? 0.1564 0.0747 0.0511 0.0194  -0.0034 -0.0073 212 LEU   A CD1 
3748 C CD2 . LEU   A 212 ? 0.1300 0.0568 0.0648 0.0033  0.0100  -0.0243 212 LEU   A CD2 
3760 N N   . SER   A 213 ? 0.0881 0.0438 0.0602 0.0025  0.0114  -0.0210 213 SER   A N   
3761 C CA  A SER   A 213 ? 0.1048 0.0820 0.0508 0.0122  0.0157  -0.0130 213 SER   A CA  
3762 C CA  B SER   A 213 ? 0.0964 0.0635 0.0501 0.0168  0.0000  -0.0220 213 SER   A CA  
3763 C C   . SER   A 213 ? 0.0813 0.0387 0.0403 -0.0057 0.0131  -0.0051 213 SER   A C   
3764 O O   . SER   A 213 ? 0.0836 0.0649 0.0548 0.0001  0.0073  -0.0235 213 SER   A O   
3765 C CB  A SER   A 213 ? 0.2117 0.1611 0.0740 0.0785  0.0278  0.0113  213 SER   A CB  
3766 C CB  B SER   A 213 ? 0.1947 0.1467 0.0713 0.0993  -0.0138 -0.0108 213 SER   A CB  
3767 O OG  A SER   A 213 ? 0.2614 0.1854 0.0902 0.0313  0.0486  0.0324  213 SER   A OG  
3768 O OG  B SER   A 213 ? 0.2274 0.1989 0.0881 0.0951  -0.0322 -0.0304 213 SER   A OG  
3779 N N   . SER   A 214 ? 0.0775 0.0487 0.0407 0.0039  0.0094  -0.0081 214 SER   A N   
3780 C CA  . SER   A 214 ? 0.0927 0.0662 0.0400 0.0040  0.0182  -0.0122 214 SER   A CA  
3781 C C   . SER   A 214 ? 0.0989 0.0400 0.0397 -0.0024 0.0080  -0.0081 214 SER   A C   
3782 O O   . SER   A 214 ? 0.0957 0.0481 0.0467 -0.0045 0.0088  -0.0091 214 SER   A O   
3783 C CB  . SER   A 214 ? 0.1049 0.0772 0.0425 -0.0001 0.0122  0.0003  214 SER   A CB  
3784 O OG  . SER   A 214 ? 0.1265 0.0890 0.0508 0.0068  0.0144  0.0142  214 SER   A OG  
3790 N N   . LEU   A 215 ? 0.0824 0.0526 0.0427 -0.0068 0.0047  -0.0078 215 LEU   A N   
3791 C CA  . LEU   A 215 ? 0.1013 0.0432 0.0372 -0.0023 0.0104  -0.0095 215 LEU   A CA  
3792 C C   . LEU   A 215 ? 0.0759 0.0402 0.0440 -0.0005 0.0118  -0.0102 215 LEU   A C   
3793 O O   . LEU   A 215 ? 0.0879 0.0488 0.0521 0.0026  0.0069  -0.0223 215 LEU   A O   
3794 C CB  . LEU   A 215 ? 0.0673 0.0592 0.0503 0.0033  0.0072  -0.0071 215 LEU   A CB  
3795 C CG  . LEU   A 215 ? 0.1059 0.0696 0.0650 -0.0151 0.0100  0.0016  215 LEU   A CG  
3796 C CD1 . LEU   A 215 ? 0.0998 0.1008 0.0783 -0.0098 0.0111  -0.0076 215 LEU   A CD1 
3797 C CD2 . LEU   A 215 ? 0.1071 0.0818 0.0752 0.0071  0.0245  -0.0036 215 LEU   A CD2 
3809 N N   . THR   A 216 ? 0.0762 0.0418 0.0418 0.0049  0.0034  -0.0100 216 THR   A N   
3810 C CA  . THR   A 216 ? 0.1007 0.0450 0.0482 0.0010  0.0033  -0.0096 216 THR   A CA  
3811 C C   . THR   A 216 ? 0.1037 0.0361 0.0522 0.0095  0.0100  -0.0085 216 THR   A C   
3812 O O   . THR   A 216 ? 0.0887 0.0429 0.0466 0.0033  0.0120  -0.0067 216 THR   A O   
3813 C CB  . THR   A 216 ? 0.1149 0.1153 0.0584 -0.0222 0.0042  -0.0104 216 THR   A CB  
3814 O OG1 . THR   A 216 ? 0.1814 0.0966 0.0660 -0.0592 0.0220  -0.0210 216 THR   A OG1 
3815 C CG2 . THR   A 216 ? 0.1165 0.1223 0.0510 -0.0353 0.0093  -0.0117 216 THR   A CG2 
3823 N N   . SER   A 217 ? 0.1032 0.0541 0.0591 0.0252  -0.0002 0.0017  217 SER   A N   
3824 C CA  A SER   A 217 ? 0.1531 0.0820 0.0658 0.0449  -0.0085 0.0163  217 SER   A CA  
3825 C CA  B SER   A 217 ? 0.0619 0.0486 0.0620 -0.0157 -0.0027 -0.0024 217 SER   A CA  
3826 C C   . SER   A 217 ? 0.0998 0.0510 0.0567 0.0085  -0.0027 -0.0013 217 SER   A C   
3827 O O   . SER   A 217 ? 0.0940 0.0773 0.0603 0.0143  0.0160  0.0136  217 SER   A O   
3828 C CB  A SER   A 217 ? 0.2388 0.1170 0.0868 0.0465  -0.0055 0.0148  217 SER   A CB  
3829 C CB  B SER   A 217 ? 0.1153 0.0658 0.0740 0.0477  -0.0103 -0.0016 217 SER   A CB  
3830 O OG  A SER   A 217 ? 0.1713 0.1766 0.1153 0.0766  -0.0067 0.0113  217 SER   A OG  
3831 O OG  B SER   A 217 ? 0.1835 0.1363 0.0856 0.0575  -0.0204 -0.0008 217 SER   A OG  
3842 N N   . ASP   A 218 ? 0.0788 0.0689 0.0588 0.0051  -0.0012 -0.0034 218 ASP   A N   
3843 C CA  . ASP   A 218 ? 0.0979 0.0671 0.0670 -0.0124 0.0095  -0.0219 218 ASP   A CA  
3844 C C   . ASP   A 218 ? 0.0924 0.0459 0.0519 -0.0049 0.0123  -0.0091 218 ASP   A C   
3845 O O   . ASP   A 218 ? 0.1244 0.0606 0.0626 0.0009  0.0036  -0.0182 218 ASP   A O   
3846 C CB  . ASP   A 218 ? 0.1212 0.0947 0.0824 -0.0137 0.0242  -0.0175 218 ASP   A CB  
3847 C CG  . ASP   A 218 ? 0.1375 0.1055 0.0793 -0.0271 0.0177  -0.0163 218 ASP   A CG  
3848 O OD1 . ASP   A 218 ? 0.2192 0.1369 0.0823 -0.0721 -0.0059 -0.0208 218 ASP   A OD1 
3849 O OD2 . ASP   A 218 ? 0.1686 0.1044 0.1005 -0.0079 0.0112  -0.0123 218 ASP   A OD2 
3854 N N   . ASP   A 219 ? 0.1110 0.0405 0.0376 -0.0009 0.0123  -0.0067 219 ASP   A N   
3855 C CA  . ASP   A 219 ? 0.0921 0.0440 0.0440 0.0207  0.0059  -0.0051 219 ASP   A CA  
3856 C C   . ASP   A 219 ? 0.1073 0.0332 0.0359 0.0023  0.0108  -0.0010 219 ASP   A C   
3857 O O   . ASP   A 219 ? 0.0765 0.0799 0.0512 0.0283  0.0115  0.0110  219 ASP   A O   
3858 C CB  . ASP   A 219 ? 0.0971 0.0418 0.0420 0.0063  0.0011  -0.0007 219 ASP   A CB  
3859 C CG  . ASP   A 219 ? 0.0930 0.0405 0.0478 0.0133  0.0106  -0.0042 219 ASP   A CG  
3860 O OD1 . ASP   A 219 ? 0.1279 0.0493 0.0557 0.0052  0.0215  -0.0007 219 ASP   A OD1 
3861 O OD2 . ASP   A 219 ? 0.1352 0.0540 0.0440 0.0078  0.0202  0.0010  219 ASP   A OD2 
3866 N N   . SER   A 220 ? 0.0862 0.0386 0.0407 0.0088  0.0131  -0.0015 220 SER   A N   
3867 C CA  . SER   A 220 ? 0.0751 0.0365 0.0439 0.0070  0.0090  0.0030  220 SER   A CA  
3868 C C   . SER   A 220 ? 0.0855 0.0484 0.0355 0.0099  0.0033  0.0014  220 SER   A C   
3869 O O   . SER   A 220 ? 0.0872 0.0835 0.0507 0.0009  0.0035  -0.0294 220 SER   A O   
3870 C CB  . SER   A 220 ? 0.1035 0.0483 0.0517 -0.0097 0.0102  -0.0022 220 SER   A CB  
3871 O OG  . SER   A 220 ? 0.1071 0.0439 0.0681 0.0161  -0.0028 -0.0049 220 SER   A OG  
3877 N N   . ALA   A 221 ? 0.0784 0.0333 0.0385 0.0026  0.0051  -0.0060 221 ALA   A N   
3878 C CA  . ALA   A 221 ? 0.0617 0.0430 0.0357 0.0062  -0.0009 -0.0009 221 ALA   A CA  
3879 C C   . ALA   A 221 ? 0.0888 0.0227 0.0322 0.0051  -0.0017 0.0001  221 ALA   A C   
3880 O O   . ALA   A 221 ? 0.0880 0.0432 0.0551 0.0016  0.0067  -0.0130 221 ALA   A O   
3881 C CB  . ALA   A 221 ? 0.0857 0.0361 0.0426 0.0032  0.0065  0.0050  221 ALA   A CB  
3887 N N   . VAL   A 222 ? 0.0814 0.0337 0.0272 0.0067  -0.0044 -0.0024 222 VAL   A N   
3888 C CA  . VAL   A 222 ? 0.0702 0.0365 0.0325 0.0070  -0.0075 0.0000  222 VAL   A CA  
3889 C C   . VAL   A 222 ? 0.0887 0.0234 0.0293 -0.0009 0.0041  -0.0029 222 VAL   A C   
3890 O O   . VAL   A 222 ? 0.0836 0.0321 0.0495 0.0008  -0.0176 0.0040  222 VAL   A O   
3891 C CB  . VAL   A 222 ? 0.0907 0.0483 0.0311 0.0009  0.0082  0.0045  222 VAL   A CB  
3892 C CG1 . VAL   A 222 ? 0.0969 0.0944 0.0340 -0.0058 0.0128  -0.0006 222 VAL   A CG1 
3893 C CG2 . VAL   A 222 ? 0.1070 0.0841 0.0357 -0.0008 0.0129  0.0093  222 VAL   A CG2 
3903 N N   . TYR   A 223 ? 0.0683 0.0312 0.0278 -0.0050 0.0020  0.0019  223 TYR   A N   
3904 C CA  . TYR   A 223 ? 0.0643 0.0173 0.0301 0.0019  0.0008  0.0039  223 TYR   A CA  
3905 C C   . TYR   A 223 ? 0.0705 0.0212 0.0281 -0.0082 0.0037  0.0037  223 TYR   A C   
3906 O O   . TYR   A 223 ? 0.0779 0.0249 0.0624 -0.0005 0.0052  0.0010  223 TYR   A O   
3907 C CB  . TYR   A 223 ? 0.0781 0.0258 0.0341 0.0070  0.0017  0.0030  223 TYR   A CB  
3908 C CG  . TYR   A 223 ? 0.0747 0.0291 0.0255 0.0007  -0.0011 0.0014  223 TYR   A CG  
3909 C CD1 . TYR   A 223 ? 0.0821 0.0329 0.0320 -0.0003 0.0115  0.0012  223 TYR   A CD1 
3910 C CD2 . TYR   A 223 ? 0.0836 0.0259 0.0306 0.0053  0.0044  0.0055  223 TYR   A CD2 
3911 C CE1 . TYR   A 223 ? 0.0955 0.0289 0.0283 0.0094  0.0032  0.0041  223 TYR   A CE1 
3912 C CE2 . TYR   A 223 ? 0.0890 0.0331 0.0272 -0.0006 0.0077  0.0063  223 TYR   A CE2 
3913 C CZ  . TYR   A 223 ? 0.0663 0.0418 0.0252 0.0053  0.0120  0.0015  223 TYR   A CZ  
3914 O OH  . TYR   A 223 ? 0.0852 0.0512 0.0477 0.0165  0.0172  0.0076  223 TYR   A OH  
3924 N N   . PHE   A 224 ? 0.0596 0.0244 0.0305 -0.0097 0.0060  0.0047  224 PHE   A N   
3925 C CA  . PHE   A 224 ? 0.0480 0.0327 0.0314 0.0021  0.0056  0.0041  224 PHE   A CA  
3926 C C   . PHE   A 224 ? 0.0767 0.0214 0.0243 -0.0044 0.0063  -0.0031 224 PHE   A C   
3927 O O   . PHE   A 224 ? 0.0599 0.0414 0.0419 -0.0018 0.0016  0.0164  224 PHE   A O   
3928 C CB  . PHE   A 224 ? 0.0736 0.0339 0.0335 0.0032  0.0040  0.0018  224 PHE   A CB  
3929 C CG  . PHE   A 224 ? 0.0743 0.0471 0.0308 0.0169  -0.0050 -0.0092 224 PHE   A CG  
3930 C CD1 . PHE   A 224 ? 0.0936 0.0716 0.0468 0.0131  -0.0114 -0.0054 224 PHE   A CD1 
3931 C CD2 . PHE   A 224 ? 0.1088 0.0416 0.0321 0.0144  0.0151  0.0050  224 PHE   A CD2 
3932 C CE1 . PHE   A 224 ? 0.1001 0.1084 0.0529 0.0219  -0.0191 -0.0042 224 PHE   A CE1 
3933 C CE2 . PHE   A 224 ? 0.1624 0.0535 0.0435 0.0241  0.0122  0.0029  224 PHE   A CE2 
3934 C CZ  . PHE   A 224 ? 0.1348 0.1011 0.0441 0.0343  -0.0179 0.0012  224 PHE   A CZ  
3944 N N   . CYS   A 225 ? 0.0566 0.0357 0.0396 -0.0040 0.0055  0.0042  225 CYS   A N   
3945 C CA  . CYS   A 225 ? 0.0732 0.0259 0.0361 -0.0002 -0.0031 0.0068  225 CYS   A CA  
3946 C C   . CYS   A 225 ? 0.0535 0.0418 0.0233 -0.0051 0.0056  0.0045  225 CYS   A C   
3947 O O   . CYS   A 225 ? 0.0881 0.0446 0.0275 0.0052  0.0111  0.0088  225 CYS   A O   
3948 C CB  . CYS   A 225 ? 0.0976 0.0466 0.0408 0.0099  -0.0140 -0.0171 225 CYS   A CB  
3949 S SG  . CYS   A 225 ? 0.0811 0.0622 0.0615 -0.0101 -0.0003 -0.0095 225 CYS   A SG  
3954 N N   . ALA   A 226 ? 0.0727 0.0299 0.0228 -0.0031 0.0061  0.0062  226 ALA   A N   
3955 C CA  . ALA   A 226 ? 0.0783 0.0403 0.0230 -0.0026 0.0060  -0.0019 226 ALA   A CA  
3956 C C   . ALA   A 226 ? 0.1000 0.0256 0.0268 -0.0013 0.0100  0.0000  226 ALA   A C   
3957 O O   . ALA   A 226 ? 0.0873 0.0603 0.0411 0.0194  0.0232  0.0186  226 ALA   A O   
3958 C CB  . ALA   A 226 ? 0.1198 0.0440 0.0320 0.0058  -0.0026 0.0037  226 ALA   A CB  
3964 N N   . ARG   A 227 ? 0.0780 0.0430 0.0226 -0.0020 0.0119  0.0000  227 ARG   A N   
3965 C CA  A ARG   A 227 ? 0.0836 0.0496 0.0281 0.0099  -0.0043 -0.0109 227 ARG   A CA  
3966 C CA  B ARG   A 227 ? 0.0594 0.0729 0.0346 0.0132  0.0113  -0.0015 227 ARG   A CA  
3967 C C   . ARG   A 227 ? 0.0732 0.0433 0.0356 0.0150  -0.0014 -0.0002 227 ARG   A C   
3968 O O   . ARG   A 227 ? 0.1070 0.0507 0.0481 0.0058  -0.0353 -0.0061 227 ARG   A O   
3969 C CB  A ARG   A 227 ? 0.0799 0.1279 0.0374 0.0207  -0.0036 -0.0163 227 ARG   A CB  
3970 C CB  B ARG   A 227 ? 0.0524 0.1456 0.0565 0.0126  0.0170  0.0050  227 ARG   A CB  
3971 C CG  A ARG   A 227 ? 0.0655 0.0545 0.0292 0.0000  0.0037  0.0027  227 ARG   A CG  
3972 C CG  B ARG   A 227 ? 0.0548 0.0940 0.0611 0.0104  0.0055  0.0157  227 ARG   A CG  
3973 C CD  A ARG   A 227 ? 0.0682 0.0537 0.0381 0.0009  0.0036  -0.0002 227 ARG   A CD  
3974 C CD  B ARG   A 227 ? 0.0540 0.0864 0.0633 0.0364  0.0000  0.0152  227 ARG   A CD  
3975 N NE  A ARG   A 227 ? 0.0700 0.0514 0.0341 0.0143  -0.0058 0.0038  227 ARG   A NE  
3976 N NE  B ARG   A 227 ? 0.1452 0.0525 0.0626 0.0362  -0.0123 -0.0059 227 ARG   A NE  
3977 C CZ  A ARG   A 227 ? 0.0618 0.0681 0.0463 0.0046  0.0101  0.0031  227 ARG   A CZ  
3978 C CZ  B ARG   A 227 ? 0.0961 0.0748 0.0602 0.0440  -0.0225 -0.0027 227 ARG   A CZ  
3979 N NH1 A ARG   A 227 ? 0.0530 0.0742 0.0695 0.0090  -0.0015 -0.0150 227 ARG   A NH1 
3980 N NH1 B ARG   A 227 ? 0.1119 0.1166 0.0588 0.0410  0.0033  -0.0037 227 ARG   A NH1 
3981 N NH2 A ARG   A 227 ? 0.0800 0.0823 0.0592 -0.0044 0.0064  -0.0115 227 ARG   A NH2 
3982 N NH2 B ARG   A 227 ? 0.1063 0.1048 0.0641 0.0627  -0.0091 -0.0121 227 ARG   A NH2 
4009 N N   . GLY   A 228 ? 0.0728 0.0467 0.0442 0.0081  -0.0129 -0.0061 228 GLY   A N   
4010 C CA  . GLY   A 228 ? 0.1011 0.0531 0.0647 0.0020  -0.0264 0.0025  228 GLY   A CA  
4011 C C   . GLY   A 228 ? 0.0963 0.0414 0.0473 0.0061  -0.0043 -0.0055 228 GLY   A C   
4012 O O   . GLY   A 228 ? 0.0991 0.0543 0.0474 0.0087  -0.0159 -0.0012 228 GLY   A O   
4016 N N   A CYS   A 229 ? 0.0702 0.0478 0.0534 -0.0064 -0.0162 -0.0003 229 CYS   A N   
4017 N N   B CYS   A 229 ? 0.1111 0.0381 0.0566 0.0252  -0.0063 -0.0046 229 CYS   A N   
4018 N N   C CYS   A 229 ? 0.0920 0.0497 0.0549 0.0091  0.0024  0.0025  229 CYS   A N   
4019 C CA  A CYS   A 229 ? 0.0688 0.0418 0.0704 0.0068  -0.0232 0.0048  229 CYS   A CA  
4020 C CA  B CYS   A 229 ? 0.1268 0.0744 0.0723 0.0171  -0.0018 0.0030  229 CYS   A CA  
4021 C CA  C CYS   A 229 ? 0.0871 0.0717 0.0636 0.0139  0.0168  0.0096  229 CYS   A CA  
4022 C C   A CYS   A 229 ? 0.0697 0.0444 0.0706 0.0123  -0.0200 0.0063  229 CYS   A C   
4023 C C   B CYS   A 229 ? 0.1121 0.0767 0.0659 0.0097  0.0014  0.0100  229 CYS   A C   
4024 C C   C CYS   A 229 ? 0.0982 0.0601 0.0624 0.0110  0.0091  0.0133  229 CYS   A C   
4025 O O   A CYS   A 229 ? 0.0965 0.0342 0.0811 0.0033  -0.0401 0.0041  229 CYS   A O   
4026 O O   B CYS   A 229 ? 0.0921 0.1109 0.0664 0.0246  0.0022  0.0131  229 CYS   A O   
4027 O O   C CYS   A 229 ? 0.0820 0.0656 0.0626 0.0253  0.0114  0.0180  229 CYS   A O   
4028 C CB  A CYS   A 229 ? 0.1115 0.0458 0.0926 -0.0079 -0.0517 0.0153  229 CYS   A CB  
4029 C CB  B CYS   A 229 ? 0.1723 0.1123 0.0981 0.0112  -0.0047 0.0073  229 CYS   A CB  
4030 C CB  C CYS   A 229 ? 0.1186 0.1006 0.0769 0.0204  0.0204  0.0176  229 CYS   A CB  
4031 S SG  A CYS   A 229 ? 0.0997 0.0659 0.1115 0.0018  0.0049  0.0184  229 CYS   A SG  
4032 S SG  B CYS   A 229 ? 0.1112 0.2108 0.1195 0.0207  0.0299  0.0233  229 CYS   A SG  
4033 S SG  C CYS   A 229 ? 0.0894 0.1812 0.0949 0.0369  -0.0029 0.0191  229 CYS   A SG  
4047 N N   . TYR   A 230 ? 0.1225 0.0420 0.0614 -0.0067 -0.0032 0.0105  230 TYR   A N   
4048 C CA  . TYR   A 230 ? 0.0883 0.0555 0.0677 0.0064  -0.0055 0.0043  230 TYR   A CA  
4049 C C   . TYR   A 230 ? 0.1385 0.0461 0.0608 0.0122  -0.0196 0.0111  230 TYR   A C   
4050 O O   . TYR   A 230 ? 0.1100 0.0846 0.0712 0.0213  -0.0155 -0.0008 230 TYR   A O   
4051 C CB  . TYR   A 230 ? 0.1348 0.0474 0.0632 0.0010  0.0087  0.0023  230 TYR   A CB  
4052 C CG  . TYR   A 230 ? 0.1312 0.0614 0.0741 0.0125  -0.0004 0.0110  230 TYR   A CG  
4053 C CD1 . TYR   A 230 ? 0.1773 0.0721 0.1079 -0.0020 -0.0104 0.0079  230 TYR   A CD1 
4054 C CD2 . TYR   A 230 ? 0.1732 0.0826 0.1065 0.0082  0.0007  0.0199  230 TYR   A CD2 
4055 C CE1 . TYR   A 230 ? 0.1759 0.0888 0.1217 -0.0378 -0.0108 0.0125  230 TYR   A CE1 
4056 C CE2 . TYR   A 230 ? 0.2215 0.0664 0.1185 0.0189  0.0060  0.0133  230 TYR   A CE2 
4057 C CZ  . TYR   A 230 ? 0.2324 0.0668 0.1240 -0.0323 -0.0060 -0.0046 230 TYR   A CZ  
4058 O OH  . TYR   A 230 ? 0.3367 0.1241 0.1638 -0.0866 -0.0024 -0.0021 230 TYR   A OH  
4068 N N   . GLY   A 231 ? 0.0913 0.0542 0.0641 0.0171  -0.0053 0.0096  231 GLY   A N   
4069 C CA  . GLY   A 231 ? 0.1381 0.0773 0.0620 0.0328  -0.0009 0.0060  231 GLY   A CA  
4070 C C   . GLY   A 231 ? 0.0985 0.0952 0.0719 0.0144  0.0004  0.0078  231 GLY   A C   
4071 O O   . GLY   A 231 ? 0.1688 0.1308 0.0829 0.0311  0.0242  -0.0094 231 GLY   A O   
4075 N N   A CYS   A 232 ? 0.0968 0.0752 0.0734 0.0104  -0.0019 0.0259  232 CYS   A N   
4076 N N   B CYS   A 232 ? 0.0775 0.0885 0.0774 0.0204  -0.0100 0.0076  232 CYS   A N   
4077 N N   C CYS   A 232 ? 0.1018 0.1111 0.0794 0.0021  -0.0071 0.0193  232 CYS   A N   
4078 C CA  A CYS   A 232 ? 0.1205 0.1133 0.0820 -0.0023 0.0138  0.0327  232 CYS   A CA  
4079 C CA  B CYS   A 232 ? 0.0808 0.0876 0.0856 0.0236  -0.0038 0.0074  232 CYS   A CA  
4080 C CA  C CYS   A 232 ? 0.0920 0.1420 0.0888 -0.0218 -0.0111 0.0291  232 CYS   A CA  
4081 C C   A CYS   A 232 ? 0.0828 0.0715 0.0682 0.0171  -0.0031 -0.0010 232 CYS   A C   
4082 C C   B CYS   A 232 ? 0.0999 0.0666 0.0778 0.0213  -0.0020 0.0113  232 CYS   A C   
4083 C C   C CYS   A 232 ? 0.0759 0.1195 0.0769 0.0067  -0.0012 0.0134  232 CYS   A C   
4084 O O   A CYS   A 232 ? 0.1310 0.0384 0.0650 0.0107  -0.0051 -0.0119 232 CYS   A O   
4085 O O   B CYS   A 232 ? 0.1132 0.0475 0.0835 0.0215  -0.0090 0.0166  232 CYS   A O   
4086 O O   C CYS   A 232 ? 0.0337 0.1302 0.0775 -0.0058 -0.0055 -0.0003 232 CYS   A O   
4087 C CB  A CYS   A 232 ? 0.1364 0.1160 0.0980 -0.0014 0.0241  0.0283  232 CYS   A CB  
4088 C CB  B CYS   A 232 ? 0.0731 0.1146 0.1023 0.0062  -0.0045 0.0108  232 CYS   A CB  
4089 C CB  C CYS   A 232 ? 0.0710 0.1714 0.1072 -0.0413 -0.0281 0.0327  232 CYS   A CB  
4090 S SG  A CYS   A 232 ? 0.1083 0.0723 0.1094 0.0093  -0.0055 0.0176  232 CYS   A SG  
4091 S SG  B CYS   A 232 ? 0.1827 0.1838 0.1145 -0.0502 -0.0243 0.0150  232 CYS   A SG  
4092 S SG  C CYS   A 232 ? 0.1442 0.2535 0.1228 -0.0774 -0.0322 0.0412  232 CYS   A SG  
4106 N N   . ILE   A 233 ? 0.1032 0.0938 0.0662 0.0238  0.0206  0.0204  233 ILE   A N   
4107 C CA  A ILE   A 233 ? 0.1227 0.0770 0.0497 0.0042  0.0014  -0.0004 233 ILE   A CA  
4108 C CA  B ILE   A 233 ? 0.1273 0.0933 0.0515 0.0626  0.0204  0.0164  233 ILE   A CA  
4109 C C   . ILE   A 233 ? 0.0784 0.0737 0.0459 0.0134  -0.0007 0.0038  233 ILE   A C   
4110 O O   . ILE   A 233 ? 0.0844 0.0836 0.0605 -0.0056 0.0037  -0.0121 233 ILE   A O   
4111 C CB  A ILE   A 233 ? 0.1019 0.1156 0.0535 0.0123  0.0147  -0.0021 233 ILE   A CB  
4112 C CB  B ILE   A 233 ? 0.1406 0.1210 0.0608 0.0488  0.0335  0.0224  233 ILE   A CB  
4113 C CG1 A ILE   A 233 ? 0.0638 0.1359 0.0641 -0.0159 0.0109  -0.0257 233 ILE   A CG1 
4114 C CG1 B ILE   A 233 ? 0.1141 0.1448 0.0719 0.0567  0.0267  -0.0034 233 ILE   A CG1 
4115 C CG2 A ILE   A 233 ? 0.1095 0.1099 0.0579 0.0073  0.0148  -0.0179 233 ILE   A CG2 
4116 C CG2 B ILE   A 233 ? 0.1590 0.0682 0.0568 -0.0036 -0.0099 0.0214  233 ILE   A CG2 
4117 C CD1 A ILE   A 233 ? 0.1208 0.0832 0.0746 0.0082  0.0236  -0.0261 233 ILE   A CD1 
4118 C CD1 B ILE   A 233 ? 0.1852 0.1505 0.0914 0.0148  0.0640  -0.0154 233 ILE   A CD1 
4141 N N   . HIS   A 234 ? 0.0856 0.0482 0.0374 0.0084  0.0101  0.0080  234 HIS   A N   
4142 C CA  . HIS   A 234 ? 0.0894 0.0372 0.0259 0.0010  -0.0003 0.0015  234 HIS   A CA  
4143 C C   . HIS   A 234 ? 0.0635 0.0403 0.0252 -0.0035 0.0006  -0.0007 234 HIS   A C   
4144 O O   . HIS   A 234 ? 0.0812 0.0447 0.0215 -0.0068 -0.0010 0.0007  234 HIS   A O   
4145 C CB  . HIS   A 234 ? 0.0871 0.0341 0.0287 0.0015  -0.0004 0.0092  234 HIS   A CB  
4146 C CG  . HIS   A 234 ? 0.0753 0.0337 0.0309 0.0070  -0.0005 0.0003  234 HIS   A CG  
4147 N ND1 . HIS   A 234 ? 0.0844 0.0380 0.0316 0.0045  0.0036  -0.0027 234 HIS   A ND1 
4148 C CD2 . HIS   A 234 ? 0.0705 0.0407 0.0457 0.0009  0.0001  0.0017  234 HIS   A CD2 
4149 C CE1 . HIS   A 234 ? 0.0927 0.0290 0.0379 -0.0004 -0.0014 0.0093  234 HIS   A CE1 
4150 N NE2 . HIS   A 234 ? 0.0795 0.0391 0.0427 0.0066  0.0053  0.0133  234 HIS   A NE2 
4158 N N   . PHE   A 235 ? 0.0769 0.0380 0.0234 0.0013  -0.0005 -0.0003 235 PHE   A N   
4159 C CA  . PHE   A 235 ? 0.0825 0.0284 0.0304 0.0004  0.0024  -0.0026 235 PHE   A CA  
4160 C C   . PHE   A 235 ? 0.0644 0.0375 0.0283 0.0049  0.0019  -0.0042 235 PHE   A C   
4161 O O   . PHE   A 235 ? 0.0741 0.0427 0.0312 0.0051  0.0065  -0.0033 235 PHE   A O   
4162 C CB  . PHE   A 235 ? 0.0651 0.0340 0.0290 0.0024  0.0003  0.0082  235 PHE   A CB  
4163 C CG  . PHE   A 235 ? 0.0919 0.0274 0.0287 -0.0032 -0.0122 0.0038  235 PHE   A CG  
4164 C CD1 . PHE   A 235 ? 0.0627 0.0574 0.0460 -0.0027 -0.0003 -0.0116 235 PHE   A CD1 
4165 C CD2 . PHE   A 235 ? 0.0694 0.0448 0.0465 -0.0021 0.0054  -0.0048 235 PHE   A CD2 
4166 C CE1 . PHE   A 235 ? 0.0943 0.0985 0.0355 -0.0204 0.0019  -0.0191 235 PHE   A CE1 
4167 C CE2 . PHE   A 235 ? 0.1038 0.0387 0.0584 -0.0079 -0.0008 0.0112  235 PHE   A CE2 
4168 C CZ  . PHE   A 235 ? 0.0626 0.0946 0.0471 0.0026  0.0035  0.0173  235 PHE   A CZ  
4178 N N   . ASP   A 236 ? 0.0809 0.0408 0.0354 -0.0035 0.0080  0.0030  236 ASP   A N   
4179 C CA  . ASP   A 236 ? 0.0716 0.0573 0.0421 0.0042  0.0081  -0.0065 236 ASP   A CA  
4180 C C   . ASP   A 236 ? 0.0641 0.0579 0.0273 -0.0095 0.0105  0.0007  236 ASP   A C   
4181 O O   . ASP   A 236 ? 0.1277 0.0812 0.0375 -0.0383 0.0029  0.0003  236 ASP   A O   
4182 C CB  . ASP   A 236 ? 0.0780 0.0606 0.0444 0.0034  0.0105  -0.0049 236 ASP   A CB  
4183 C CG  . ASP   A 236 ? 0.0928 0.0496 0.0457 0.0065  0.0069  0.0091  236 ASP   A CG  
4184 O OD1 . ASP   A 236 ? 0.0847 0.0856 0.0381 0.0156  0.0059  -0.0031 236 ASP   A OD1 
4185 O OD2 . ASP   A 236 ? 0.1032 0.0683 0.0629 0.0181  -0.0089 -0.0100 236 ASP   A OD2 
4190 N N   . TYR   A 237 ? 0.0848 0.0350 0.0220 0.0081  0.0001  -0.0024 237 TYR   A N   
4191 C CA  . TYR   A 237 ? 0.0717 0.0496 0.0287 0.0074  0.0005  0.0021  237 TYR   A CA  
4192 C C   . TYR   A 237 ? 0.0906 0.0327 0.0235 0.0046  0.0021  0.0026  237 TYR   A C   
4193 O O   . TYR   A 237 ? 0.0975 0.0490 0.0291 0.0157  0.0122  0.0068  237 TYR   A O   
4194 C CB  . TYR   A 237 ? 0.0957 0.0488 0.0494 0.0044  -0.0058 -0.0115 237 TYR   A CB  
4195 C CG  . TYR   A 237 ? 0.0698 0.0723 0.0562 0.0123  -0.0063 -0.0178 237 TYR   A CG  
4196 C CD1 . TYR   A 237 ? 0.1016 0.1050 0.0762 -0.0006 0.0114  0.0316  237 TYR   A CD1 
4197 C CD2 . TYR   A 237 ? 0.1078 0.0647 0.0609 -0.0006 -0.0010 -0.0160 237 TYR   A CD2 
4198 C CE1 . TYR   A 237 ? 0.1239 0.1440 0.0809 0.0018  0.0380  0.0275  237 TYR   A CE1 
4199 C CE2 . TYR   A 237 ? 0.1295 0.0834 0.0752 0.0277  0.0179  -0.0226 237 TYR   A CE2 
4200 C CZ  . TYR   A 237 ? 0.1049 0.1347 0.0922 0.0170  0.0206  -0.0084 237 TYR   A CZ  
4201 O OH  . TYR   A 237 ? 0.1603 0.1912 0.1283 0.0531  0.0654  -0.0120 237 TYR   A OH  
4211 N N   . TRP   A 238 ? 0.0714 0.0433 0.0219 0.0012  0.0104  0.0024  238 TRP   A N   
4212 C CA  . TRP   A 238 ? 0.0816 0.0399 0.0222 -0.0047 0.0022  0.0053  238 TRP   A CA  
4213 C C   . TRP   A 238 ? 0.0849 0.0363 0.0221 0.0059  0.0040  0.0027  238 TRP   A C   
4214 O O   . TRP   A 238 ? 0.0883 0.0447 0.0303 -0.0054 0.0126  0.0051  238 TRP   A O   
4215 C CB  . TRP   A 238 ? 0.0964 0.0266 0.0301 -0.0019 -0.0027 0.0006  238 TRP   A CB  
4216 C CG  . TRP   A 238 ? 0.0768 0.0417 0.0243 0.0063  -0.0048 -0.0007 238 TRP   A CG  
4217 C CD1 . TRP   A 238 ? 0.0783 0.0424 0.0312 0.0019  0.0001  -0.0019 238 TRP   A CD1 
4218 C CD2 . TRP   A 238 ? 0.0762 0.0331 0.0198 0.0080  -0.0019 -0.0003 238 TRP   A CD2 
4219 N NE1 . TRP   A 238 ? 0.0748 0.0417 0.0327 0.0030  -0.0009 -0.0055 238 TRP   A NE1 
4220 C CE2 . TRP   A 238 ? 0.0717 0.0496 0.0207 0.0109  0.0015  0.0070  238 TRP   A CE2 
4221 C CE3 . TRP   A 238 ? 0.1155 0.0305 0.0292 0.0054  0.0005  -0.0005 238 TRP   A CE3 
4222 C CZ2 . TRP   A 238 ? 0.0856 0.0497 0.0297 0.0021  0.0047  -0.0079 238 TRP   A CZ2 
4223 C CZ3 . TRP   A 238 ? 0.0873 0.0647 0.0415 0.0094  0.0166  -0.0102 238 TRP   A CZ3 
4224 C CH2 . TRP   A 238 ? 0.0692 0.0743 0.0426 -0.0082 0.0026  -0.0089 238 TRP   A CH2 
4235 N N   . GLY   A 239 ? 0.0700 0.0322 0.0301 -0.0010 0.0009  0.0066  239 GLY   A N   
4236 C CA  . GLY   A 239 ? 0.0727 0.0463 0.0276 0.0068  -0.0041 0.0017  239 GLY   A CA  
4237 C C   . GLY   A 239 ? 0.0749 0.0370 0.0354 0.0037  0.0027  -0.0056 239 GLY   A C   
4238 O O   . GLY   A 239 ? 0.0900 0.0423 0.0348 -0.0008 -0.0102 -0.0035 239 GLY   A O   
4242 N N   . GLN   A 240 ? 0.0791 0.0381 0.0347 -0.0051 0.0017  0.0030  240 GLN   A N   
4243 C CA  A GLN   A 240 ? 0.1028 0.0359 0.0354 -0.0006 0.0073  0.0093  240 GLN   A CA  
4244 C CA  B GLN   A 240 ? 0.1117 0.0402 0.0466 0.0029  0.0083  0.0122  240 GLN   A CA  
4245 C C   . GLN   A 240 ? 0.0896 0.0580 0.0380 0.0075  -0.0002 0.0061  240 GLN   A C   
4246 O O   . GLN   A 240 ? 0.1073 0.1142 0.0521 0.0147  -0.0078 0.0257  240 GLN   A O   
4247 C CB  A GLN   A 240 ? 0.0968 0.0498 0.0401 -0.0112 -0.0087 0.0188  240 GLN   A CB  
4248 C CB  B GLN   A 240 ? 0.1561 0.1311 0.0717 -0.0119 -0.0057 0.0182  240 GLN   A CB  
4249 C CG  A GLN   A 240 ? 0.1104 0.0361 0.0536 0.0020  0.0015  0.0074  240 GLN   A CG  
4250 C CG  B GLN   A 240 ? 0.2492 0.2148 0.0973 0.0419  -0.0043 0.0194  240 GLN   A CG  
4251 C CD  A GLN   A 240 ? 0.1454 0.0672 0.0636 -0.0305 0.0031  0.0209  240 GLN   A CD  
4252 C CD  B GLN   A 240 ? 0.2280 0.2246 0.1011 0.0310  -0.0038 0.0162  240 GLN   A CD  
4253 O OE1 A GLN   A 240 ? 0.2427 0.0869 0.0831 -0.0373 0.0057  0.0170  240 GLN   A OE1 
4254 O OE1 B GLN   A 240 ? 0.1782 0.2157 0.0940 -0.0076 0.0045  -0.0096 240 GLN   A OE1 
4255 N NE2 A GLN   A 240 ? 0.1325 0.0407 0.0651 -0.0163 0.0292  0.0007  240 GLN   A NE2 
4256 N NE2 B GLN   A 240 ? 0.1850 0.2504 0.1062 0.0241  -0.0031 0.0294  240 GLN   A NE2 
4273 N N   . GLY   A 241 ? 0.0809 0.0506 0.0417 0.0150  0.0044  0.0092  241 GLY   A N   
4274 C CA  . GLY   A 241 ? 0.0923 0.0522 0.0626 0.0097  0.0167  0.0074  241 GLY   A CA  
4275 C C   . GLY   A 241 ? 0.0968 0.0416 0.0823 0.0166  0.0284  0.0218  241 GLY   A C   
4276 O O   . GLY   A 241 ? 0.2173 0.0708 0.1126 0.0244  0.0828  0.0136  241 GLY   A O   
4280 N N   . THR   A 242 ? 0.0904 0.0290 0.0664 -0.0010 0.0223  0.0095  242 THR   A N   
4281 C CA  . THR   A 242 ? 0.0867 0.0313 0.0607 -0.0047 0.0105  0.0167  242 THR   A CA  
4282 C C   . THR   A 242 ? 0.0756 0.0232 0.0508 0.0061  0.0068  0.0101  242 THR   A C   
4283 O O   . THR   A 242 ? 0.0920 0.0258 0.0628 -0.0046 0.0065  0.0078  242 THR   A O   
4284 C CB  . THR   A 242 ? 0.0658 0.0451 0.0716 -0.0027 -0.0007 0.0095  242 THR   A CB  
4285 O OG1 . THR   A 242 ? 0.0910 0.0517 0.0816 -0.0111 -0.0065 0.0216  242 THR   A OG1 
4286 C CG2 . THR   A 242 ? 0.0693 0.0679 0.0708 0.0041  -0.0080 0.0007  242 THR   A CG2 
4294 N N   . THR   A 243 ? 0.0664 0.0381 0.0498 -0.0021 0.0133  0.0062  243 THR   A N   
4295 C CA  . THR   A 243 ? 0.0941 0.0263 0.0472 -0.0060 0.0106  0.0049  243 THR   A CA  
4296 C C   . THR   A 243 ? 0.0628 0.0510 0.0638 0.0046  0.0041  -0.0091 243 THR   A C   
4297 O O   . THR   A 243 ? 0.1237 0.0872 0.0990 -0.0432 0.0430  -0.0442 243 THR   A O   
4298 C CB  . THR   A 243 ? 0.0908 0.0554 0.0715 0.0069  -0.0044 0.0130  243 THR   A CB  
4299 O OG1 . THR   A 243 ? 0.1750 0.0813 0.0563 -0.0018 0.0005  0.0171  243 THR   A OG1 
4300 C CG2 . THR   A 243 ? 0.1297 0.0818 0.1150 0.0045  -0.0248 0.0459  243 THR   A CG2 
4308 N N   . LEU   A 244 ? 0.0875 0.0322 0.0450 -0.0013 0.0092  -0.0056 244 LEU   A N   
4309 C CA  . LEU   A 244 ? 0.0736 0.0276 0.0536 0.0030  -0.0026 0.0039  244 LEU   A CA  
4310 C C   . LEU   A 244 ? 0.1052 0.0323 0.0471 -0.0130 0.0196  0.0018  244 LEU   A C   
4311 O O   . LEU   A 244 ? 0.0906 0.0336 0.0673 -0.0011 0.0074  -0.0028 244 LEU   A O   
4312 C CB  . LEU   A 244 ? 0.0989 0.0306 0.0557 -0.0028 0.0048  0.0108  244 LEU   A CB  
4313 C CG  . LEU   A 244 ? 0.1082 0.0456 0.0479 0.0044  0.0068  0.0028  244 LEU   A CG  
4314 C CD1 . LEU   A 244 ? 0.1305 0.0544 0.0505 -0.0102 0.0195  0.0043  244 LEU   A CD1 
4315 C CD2 . LEU   A 244 ? 0.1542 0.0519 0.0483 -0.0148 0.0126  0.0073  244 LEU   A CD2 
4327 N N   . THR   A 245 ? 0.0988 0.0250 0.0497 -0.0025 0.0065  0.0003  245 THR   A N   
4328 C CA  . THR   A 245 ? 0.0946 0.0327 0.0589 0.0041  0.0109  0.0102  245 THR   A CA  
4329 C C   . THR   A 245 ? 0.0889 0.0370 0.0578 0.0008  0.0076  -0.0024 245 THR   A C   
4330 O O   . THR   A 245 ? 0.1100 0.0964 0.0702 -0.0211 0.0251  -0.0224 245 THR   A O   
4331 C CB  . THR   A 245 ? 0.1196 0.0543 0.0830 0.0202  0.0344  0.0210  245 THR   A CB  
4332 O OG1 . THR   A 245 ? 0.1397 0.0672 0.0752 0.0112  0.0283  0.0308  245 THR   A OG1 
4333 C CG2 . THR   A 245 ? 0.1479 0.0966 0.1085 0.0384  0.0395  0.0506  245 THR   A CG2 
4341 N N   . VAL   A 246 ? 0.0919 0.0452 0.0506 0.0017  0.0113  -0.0010 246 VAL   A N   
4342 C CA  . VAL   A 246 ? 0.1066 0.0402 0.0545 0.0093  0.0124  -0.0038 246 VAL   A CA  
4343 C C   . VAL   A 246 ? 0.1348 0.0625 0.0720 0.0189  0.0147  0.0106  246 VAL   A C   
4344 O O   . VAL   A 246 ? 0.1399 0.1492 0.1048 0.0574  -0.0062 -0.0052 246 VAL   A O   
4345 C CB  . VAL   A 246 ? 0.1082 0.0581 0.0566 -0.0170 0.0209  -0.0108 246 VAL   A CB  
4346 C CG1 . VAL   A 246 ? 0.1216 0.0597 0.0643 -0.0110 0.0253  -0.0056 246 VAL   A CG1 
4347 C CG2 . VAL   A 246 ? 0.1267 0.0536 0.0537 0.0035  0.0308  0.0010  246 VAL   A CG2 
4357 N N   . SER   A 247 ? 0.1655 0.0498 0.0809 0.0254  0.0234  0.0074  247 SER   A N   
4358 C CA  . SER   A 247 ? 0.2517 0.0824 0.1030 0.0484  0.0415  0.0151  247 SER   A CA  
4359 C C   . SER   A 247 ? 0.3069 0.1043 0.1198 0.0679  0.0343  0.0070  247 SER   A C   
4360 O O   . SER   A 247 ? 0.3748 0.0948 0.1176 0.0094  0.0264  0.0010  247 SER   A O   
4361 C CB  . SER   A 247 ? 0.3047 0.1085 0.1148 0.0699  0.0327  0.0194  247 SER   A CB  
4362 O OG  . SER   A 247 ? 0.4195 0.1673 0.1382 0.0935  0.0390  0.0334  247 SER   A OG  
4368 N N   . SER   A 248 ? 0.4028 0.1703 0.1415 0.1225  0.0621  0.0242  248 SER   A N   
4369 C CA  . SER   A 248 ? 0.4366 0.2128 0.1787 0.1505  0.0473  0.0031  248 SER   A CA  
4370 C C   . SER   A 248 ? 0.5926 0.1932 0.1918 0.0857  0.0089  -0.0289 248 SER   A C   
4371 O O   . SER   A 248 ? 0.6385 0.1784 0.1981 0.0800  -0.0064 0.0071  248 SER   A O   
4372 C CB  . SER   A 248 ? 0.5184 0.2990 0.1884 0.2120  0.0535  0.0198  248 SER   A CB  
4373 O OG  . SER   A 248 ? 0.5954 0.3830 0.2040 0.2541  0.0577  0.0272  248 SER   A OG  
4374 O OXT . SER   A 248 ? 0.6229 0.2256 0.2152 0.1013  -0.0250 -0.0512 248 SER   A OXT 
4380 C C10 . A1LZO B .   ? 0.1170 0.0346 0.0428 -0.0133 -0.0086 0.0067  401 A1LZO A C10 
4381 N N12 . A1LZO B .   ? 0.1274 0.0376 0.0532 -0.0092 -0.0053 0.0101  401 A1LZO A N12 
4382 C C01 . A1LZO B .   ? 0.1548 0.0755 0.0682 0.0139  0.0095  0.0183  401 A1LZO A C01 
4383 C C02 . A1LZO B .   ? 0.1213 0.0624 0.0632 0.0094  0.0005  0.0093  401 A1LZO A C02 
4384 C C03 . A1LZO B .   ? 0.0889 0.0746 0.0658 0.0094  -0.0087 0.0079  401 A1LZO A C03 
4385 C C04 . A1LZO B .   ? 0.1026 0.0520 0.0576 0.0030  -0.0064 0.0031  401 A1LZO A C04 
4386 C C05 . A1LZO B .   ? 0.0976 0.0618 0.0586 0.0034  0.0069  0.0120  401 A1LZO A C05 
4387 C C06 . A1LZO B .   ? 0.1549 0.0592 0.0660 0.0003  0.0257  0.0128  401 A1LZO A C06 
4388 C C08 . A1LZO B .   ? 0.1217 0.0652 0.1399 0.0089  0.0188  -0.0046 401 A1LZO A C08 
4389 C C09 . A1LZO B .   ? 0.0990 0.0535 0.0605 -0.0006 -0.0084 0.0019  401 A1LZO A C09 
4390 C C18 . A1LZO B .   ? 0.1188 0.0340 0.0783 0.0168  0.0068  0.0015  401 A1LZO A C18 
4391 N N11 . A1LZO B .   ? 0.1099 0.0606 0.0565 0.0133  0.0006  -0.0051 401 A1LZO A N11 
4392 O O07 . A1LZO B .   ? 0.1581 0.0906 0.0617 0.0184  0.0045  0.0151  401 A1LZO A O07 
4393 O O13 . A1LZO B .   ? 0.1643 0.0568 0.1837 -0.0008 0.0131  -0.0264 401 A1LZO A O13 
4394 O O14 . A1LZO B .   ? 0.1598 0.0597 0.1568 0.0263  0.0178  -0.0068 401 A1LZO A O14 
4395 O O15 . A1LZO B .   ? 0.1366 0.0619 0.0558 0.0068  -0.0238 0.0101  401 A1LZO A O15 
4396 O O16 . A1LZO B .   ? 0.1425 0.1206 0.0883 0.0088  0.0084  -0.0110 401 A1LZO A O16 
4397 O O17 . A1LZO B .   ? 0.1094 0.0381 0.0502 0.0080  -0.0053 0.0069  401 A1LZO A O17 
4407 C C1  A GOL   C .   ? 0.3244 0.2380 0.0953 -0.0328 -0.0250 0.0368  402 GOL   A C1  
4408 C C1  B GOL   C .   ? 0.0948 0.0739 0.0497 0.0117  -0.0121 -0.0314 402 GOL   A C1  
4409 O O1  A GOL   C .   ? 0.2655 0.1942 0.0797 -0.0116 0.0048  0.0398  402 GOL   A O1  
4410 O O1  B GOL   C .   ? 0.0695 0.0323 0.0226 -0.0234 0.0093  -0.0041 402 GOL   A O1  
4411 C C2  A GOL   C .   ? 0.2873 0.2110 0.0960 -0.0355 -0.0228 0.0451  402 GOL   A C2  
4412 C C2  B GOL   C .   ? 0.1307 0.0885 0.0613 0.0189  -0.0086 -0.0318 402 GOL   A C2  
4413 O O2  A GOL   C .   ? 0.3903 0.2738 0.1296 -0.0065 -0.0669 0.0466  402 GOL   A O2  
4414 O O2  B GOL   C .   ? 0.1405 0.0607 0.0603 0.0270  0.0101  0.0209  402 GOL   A O2  
4415 C C3  A GOL   C .   ? 0.2501 0.2475 0.0922 -0.0528 -0.0238 0.0197  402 GOL   A C3  
4416 C C3  B GOL   C .   ? 0.1731 0.1505 0.0938 -0.0072 -0.0139 -0.0416 402 GOL   A C3  
4417 O O3  A GOL   C .   ? 0.1362 0.2073 0.0866 -0.0269 0.0024  -0.0046 402 GOL   A O3  
4418 O O3  B GOL   C .   ? 0.2735 0.2716 0.1262 -0.0112 0.0049  -0.0039 402 GOL   A O3  
4435 C C1  . GOL   D .   ? 0.1728 0.1294 0.1210 -0.0227 -0.0425 0.0535  403 GOL   A C1  
4436 O O1  . GOL   D .   ? 0.1622 0.0843 0.1283 -0.0386 -0.0031 0.0242  403 GOL   A O1  
4437 C C2  . GOL   D .   ? 0.1659 0.1302 0.1158 -0.0313 -0.0113 0.0528  403 GOL   A C2  
4438 O O2  . GOL   D .   ? 0.1182 0.0862 0.0867 -0.0366 -0.0011 0.0330  403 GOL   A O2  
4439 C C3  . GOL   D .   ? 0.1983 0.1413 0.1270 -0.0204 -0.0335 0.0335  403 GOL   A C3  
4440 O O3  . GOL   D .   ? 0.1896 0.0809 0.1226 -0.0127 -0.0164 0.0312  403 GOL   A O3  
4449 C C1  A GOL   E .   ? 0.1235 0.0698 0.0785 0.0185  0.0037  -0.0302 404 GOL   A C1  
4450 C C1  B GOL   E .   ? 0.2163 0.2328 0.1404 0.0038  -0.0651 0.0074  404 GOL   A C1  
4451 O O1  A GOL   E .   ? 0.1776 0.0567 0.0927 0.0297  0.0319  0.0004  404 GOL   A O1  
4452 O O1  B GOL   E .   ? 0.1974 0.1781 0.1211 -0.1080 -0.0442 0.0313  404 GOL   A O1  
4453 C C2  A GOL   E .   ? 0.1027 0.1031 0.0711 -0.0104 0.0267  0.0084  404 GOL   A C2  
4454 C C2  B GOL   E .   ? 0.2731 0.2623 0.1598 -0.0437 -0.0244 -0.0126 404 GOL   A C2  
4455 O O2  A GOL   E .   ? 0.1265 0.0771 0.0801 -0.0068 0.0134  -0.0176 404 GOL   A O2  
4456 O O2  B GOL   E .   ? 0.2444 0.2247 0.1597 -0.0473 -0.0095 -0.0323 404 GOL   A O2  
4457 C C3  A GOL   E .   ? 0.1914 0.0599 0.0770 -0.0303 0.0171  -0.0125 404 GOL   A C3  
4458 C C3  B GOL   E .   ? 0.1885 0.2258 0.1664 -0.0349 0.0252  -0.0149 404 GOL   A C3  
4459 O O3  A GOL   E .   ? 0.0970 0.1027 0.0835 -0.0060 0.0181  -0.0087 404 GOL   A O3  
4460 O O3  B GOL   E .   ? 0.2047 0.2642 0.1719 0.0203  0.0435  -0.0252 404 GOL   A O3  
4477 N N1  . EPE   F .   ? 0.2964 0.2238 0.1804 0.0292  0.0470  0.0450  405 EPE   A N1  
4478 C C2  . EPE   F .   ? 0.2609 0.2168 0.1681 0.0028  0.0473  0.0429  405 EPE   A C2  
4479 C C3  . EPE   F .   ? 0.2735 0.1922 0.1710 0.0453  0.0203  0.0080  405 EPE   A C3  
4480 N N4  . EPE   F .   ? 0.2173 0.1987 0.1756 0.0328  0.0025  0.0178  405 EPE   A N4  
4481 C C5  . EPE   F .   ? 0.2020 0.2199 0.1814 0.0459  -0.0077 0.0374  405 EPE   A C5  
4482 C C6  . EPE   F .   ? 0.2018 0.2234 0.1850 -0.0017 0.0013  0.0477  405 EPE   A C6  
4483 C C7  . EPE   F .   ? 0.1744 0.2112 0.1695 0.0348  0.0122  0.0018  405 EPE   A C7  
4484 C C8  . EPE   F .   ? 0.2188 0.2158 0.1637 -0.0240 0.0005  -0.0060 405 EPE   A C8  
4485 O O8  . EPE   F .   ? 0.1891 0.1369 0.1557 -0.0234 0.0040  -0.0122 405 EPE   A O8  
4486 C C9  . EPE   F .   ? 0.3595 0.2334 0.1921 0.0508  0.0813  0.0745  405 EPE   A C9  
4487 C C10 . EPE   F .   ? 0.4132 0.2582 0.1969 0.0910  0.0738  0.0592  405 EPE   A C10 
4488 S S   A EPE   F .   ? 0.4702 0.3101 0.2132 0.0718  0.0151  0.0224  405 EPE   A S   
4489 S S   B EPE   F .   ? 0.3201 0.1975 0.1923 0.0866  0.1198  0.0749  405 EPE   A S   
4490 O O1S A EPE   F .   ? 0.1987 0.0790 0.1804 0.0190  -0.0545 0.0308  405 EPE   A O1S 
4491 O O1S B EPE   F .   ? 0.3910 0.2170 0.1966 0.0946  0.0481  0.0883  405 EPE   A O1S 
4492 O O2S A EPE   F .   ? 0.4994 0.3265 0.2111 0.1686  0.0153  0.0155  405 EPE   A O2S 
4493 O O2S B EPE   F .   ? 0.2724 0.2061 0.1973 0.0336  0.1232  0.0619  405 EPE   A O2S 
4494 O O3S A EPE   F .   ? 0.4887 0.3513 0.2122 0.0778  0.0280  0.0293  405 EPE   A O3S 
4495 O O3S B EPE   F .   ? 0.4138 0.2383 0.1947 0.0723  0.0954  0.0871  405 EPE   A O3S 
4513 O O   . HOH   G .   ? 0.1614 0.1913 0.2343 -0.0612 0.0715  -0.0461 501 HOH   A O   
4514 O O   . HOH   G .   ? 0.2779 0.1795 0.1544 -0.1084 -0.0082 -0.0332 502 HOH   A O   
4515 O O   A HOH   G .   ? 0.0934 0.1320 0.0960 0.0056  0.0054  -0.0212 503 HOH   A O   
4516 O O   B HOH   G .   ? 0.1872 0.2463 0.3107 0.0533  0.0441  -0.0438 503 HOH   A O   
4517 O O   . HOH   G .   ? 0.2457 0.3309 0.2058 -0.1293 -0.0366 0.0020  504 HOH   A O   
4518 O O   . HOH   G .   ? 0.6058 0.8869 0.4835 -0.3787 -0.1857 0.2191  505 HOH   A O   
4519 O O   . HOH   G .   ? 0.3741 0.7510 0.4062 -0.2167 0.0891  -0.0091 506 HOH   A O   
4520 O O   . HOH   G .   ? 1.0371 0.3653 0.5001 0.1422  -0.2493 0.0328  507 HOH   A O   
4521 O O   . HOH   G .   ? 0.1583 0.1090 0.1140 -0.0034 0.0369  -0.0202 508 HOH   A O   
4522 O O   . HOH   G .   ? 0.4874 0.5034 0.7468 -0.2890 0.0377  -0.0340 509 HOH   A O   
4523 O O   . HOH   G .   ? 0.1104 0.0670 0.1263 -0.0257 0.0026  0.0022  510 HOH   A O   
4524 O O   . HOH   G .   ? 0.2070 0.2088 0.1044 -0.0866 0.0375  -0.0562 511 HOH   A O   
4525 O O   . HOH   G .   ? 0.5327 0.4143 0.3021 -0.1422 -0.1475 0.1092  512 HOH   A O   
4526 O O   . HOH   G .   ? 0.3756 0.3195 0.4441 0.0453  -0.0157 0.1240  513 HOH   A O   
4527 O O   . HOH   G .   ? 0.1817 0.0859 0.0728 0.0131  -0.0050 -0.0088 514 HOH   A O   
4528 O O   . HOH   G .   ? 0.2154 0.3756 0.2170 -0.0323 -0.0222 -0.1472 515 HOH   A O   
4529 O O   . HOH   G .   ? 0.3707 0.4051 0.2844 -0.1533 -0.1417 0.0074  516 HOH   A O   
4530 O O   . HOH   G .   ? 0.1091 0.0917 0.1348 -0.0001 -0.0123 0.0056  517 HOH   A O   
4531 O O   A HOH   G .   ? 0.2838 0.3544 0.2244 0.0526  -0.1411 -0.0088 518 HOH   A O   
4532 O O   B HOH   G .   ? 0.2796 0.4495 0.3282 0.0530  -0.1684 -0.0484 518 HOH   A O   
4533 O O   . HOH   G .   ? 0.6447 0.7569 0.2190 -0.0108 0.0196  0.1133  519 HOH   A O   
4534 O O   . HOH   G .   ? 0.3230 0.5196 0.2036 0.1741  0.0813  0.0737  520 HOH   A O   
4535 O O   . HOH   G .   ? 0.2671 0.5608 0.2612 0.0248  0.0797  0.1516  521 HOH   A O   
4536 O O   A HOH   G .   ? 0.2184 0.3882 0.2452 -0.1116 0.0671  -0.1643 522 HOH   A O   
4537 O O   B HOH   G .   ? 0.3796 0.3805 0.3688 -0.1428 -0.0019 -0.1320 522 HOH   A O   
4538 O O   . HOH   G .   ? 0.2653 0.4180 0.1621 -0.0920 -0.0170 0.1042  523 HOH   A O   
4539 O O   . HOH   G .   ? 0.3086 0.1519 0.1458 -0.0834 0.0168  -0.0301 524 HOH   A O   
4540 O O   . HOH   G .   ? 0.1772 0.2041 0.2095 0.0069  -0.0456 0.0363  525 HOH   A O   
4541 O O   A HOH   G .   ? 0.3548 0.3139 0.3369 0.1340  0.1578  0.0096  526 HOH   A O   
4542 O O   B HOH   G .   ? 0.3916 0.3588 0.3704 0.1344  0.1919  0.0241  526 HOH   A O   
4543 O O   . HOH   G .   ? 0.1575 0.1395 0.1323 0.0029  -0.0060 -0.0007 527 HOH   A O   
4544 O O   . HOH   G .   ? 0.1547 0.0953 0.1096 -0.0138 0.0181  -0.0053 528 HOH   A O   
4545 O O   . HOH   G .   ? 0.1894 0.1938 0.4254 0.0651  0.0302  0.0983  529 HOH   A O   
4546 O O   . HOH   G .   ? 0.4899 0.2362 0.4105 0.0540  0.0363  -0.1625 530 HOH   A O   
4547 O O   . HOH   G .   ? 0.1975 0.4011 0.1855 0.0748  -0.0402 -0.0458 531 HOH   A O   
4548 O O   . HOH   G .   ? 0.1232 0.0844 0.1388 -0.0007 0.0172  -0.0197 532 HOH   A O   
4549 O O   . HOH   G .   ? 0.3432 0.3012 0.1320 0.1627  -0.0423 -0.0348 533 HOH   A O   
4550 O O   . HOH   G .   ? 0.2529 0.1800 0.2185 0.0478  -0.0466 -0.0191 534 HOH   A O   
4551 O O   A HOH   G .   ? 0.1134 0.2061 0.1128 -0.0190 0.0143  0.0646  535 HOH   A O   
4552 O O   B HOH   G .   ? 0.1377 0.1384 0.0370 -0.0001 0.0138  -0.0045 535 HOH   A O   
4553 O O   . HOH   G .   ? 0.9354 0.4054 0.3037 0.2669  0.1040  0.0641  536 HOH   A O   
4554 O O   . HOH   G .   ? 0.5162 0.6386 0.7224 0.1202  0.2021  -0.2163 537 HOH   A O   
4555 O O   . HOH   G .   ? 0.1642 0.1981 0.1654 0.0285  0.0319  0.1013  538 HOH   A O   
4556 O O   . HOH   G .   ? 0.1661 0.0873 0.0918 0.0026  -0.0161 -0.0237 539 HOH   A O   
4557 O O   . HOH   G .   ? 0.4173 0.2236 0.2451 -0.1204 -0.0317 0.0778  540 HOH   A O   
4558 O O   . HOH   G .   ? 0.1529 0.0542 0.0425 -0.0195 -0.0001 0.0062  541 HOH   A O   
4559 O O   . HOH   G .   ? 0.1891 0.2148 0.1612 0.0622  -0.0368 -0.0913 542 HOH   A O   
4560 O O   . HOH   G .   ? 0.1396 0.1106 0.0822 -0.0181 0.0280  0.0113  543 HOH   A O   
4561 O O   . HOH   G .   ? 0.2739 0.1624 0.5814 -0.0003 0.0591  0.0687  544 HOH   A O   
4562 O O   . HOH   G .   ? 0.2372 0.1549 0.3053 0.0092  0.0372  -0.0701 545 HOH   A O   
4563 O O   . HOH   G .   ? 0.4023 0.1635 0.3028 -0.0551 0.1334  0.0304  546 HOH   A O   
4564 O O   . HOH   G .   ? 0.1387 0.0715 0.1103 0.0047  -0.0273 -0.0035 547 HOH   A O   
4565 O O   . HOH   G .   ? 0.1138 0.0787 0.1343 0.0054  0.0215  0.0532  548 HOH   A O   
4566 O O   . HOH   G .   ? 0.2170 0.1120 0.1854 -0.0149 -0.0083 0.0024  549 HOH   A O   
4567 O O   . HOH   G .   ? 0.3701 0.2226 0.2915 -0.0614 -0.0771 -0.1130 550 HOH   A O   
4568 O O   . HOH   G .   ? 0.2214 0.2730 0.1068 -0.0162 -0.0218 -0.0374 551 HOH   A O   
4569 O O   . HOH   G .   ? 0.1568 0.2897 0.4230 0.0690  0.0082  0.1094  552 HOH   A O   
4570 O O   . HOH   G .   ? 0.2210 0.2258 0.1847 -0.0317 0.0840  0.0311  553 HOH   A O   
4571 O O   . HOH   G .   ? 0.2585 0.1028 0.1239 0.0216  -0.0098 0.0209  554 HOH   A O   
4572 O O   . HOH   G .   ? 0.2385 0.1395 0.1171 -0.0024 -0.0149 -0.0343 555 HOH   A O   
4573 O O   . HOH   G .   ? 0.1116 0.0933 0.0657 -0.0205 0.0044  -0.0084 556 HOH   A O   
4574 O O   . HOH   G .   ? 0.2449 0.3421 0.3722 0.0879  0.0147  -0.1693 557 HOH   A O   
4575 O O   . HOH   G .   ? 0.1460 0.0867 0.1147 -0.0220 -0.0168 -0.0078 558 HOH   A O   
4576 O O   . HOH   G .   ? 0.2788 0.2219 0.3281 0.0934  -0.0315 0.0716  559 HOH   A O   
4577 O O   . HOH   G .   ? 0.1347 0.0743 0.2560 -0.0204 0.0350  -0.0002 560 HOH   A O   
4578 O O   . HOH   G .   ? 0.2476 0.0837 0.1123 -0.0129 0.0242  -0.0101 561 HOH   A O   
4579 O O   . HOH   G .   ? 0.5780 0.4101 0.4049 0.1298  -0.0503 0.2006  562 HOH   A O   
4580 O O   . HOH   G .   ? 0.1971 0.1309 0.3098 0.0120  0.0610  0.0325  563 HOH   A O   
4581 O O   . HOH   G .   ? 0.1391 0.2153 0.1290 -0.0143 0.0085  -0.0782 564 HOH   A O   
4582 O O   . HOH   G .   ? 0.1719 0.4043 0.1611 -0.0129 0.0139  0.0402  565 HOH   A O   
4583 O O   A HOH   G .   ? 0.1466 0.1058 0.2107 -0.0016 0.0283  0.0752  566 HOH   A O   
4584 O O   B HOH   G .   ? 0.2102 0.1718 0.2793 0.0419  0.0034  0.0382  566 HOH   A O   
4585 O O   . HOH   G .   ? 0.1083 0.0768 0.0512 -0.0106 0.0102  0.0176  567 HOH   A O   
4586 O O   . HOH   G .   ? 0.3077 0.2759 0.1250 -0.0195 0.0240  -0.0863 568 HOH   A O   
4587 O O   A HOH   G .   ? 0.1582 0.0463 0.0446 -0.0115 0.0048  -0.0053 569 HOH   A O   
4588 O O   B HOH   G .   ? 0.2401 0.4060 0.3857 -0.1094 0.0197  0.0151  569 HOH   A O   
4589 O O   . HOH   G .   ? 0.1852 0.1634 0.1055 0.0655  0.0230  -0.0032 570 HOH   A O   
4590 O O   . HOH   G .   ? 0.3150 0.1706 0.1147 -0.0580 -0.0171 -0.0239 571 HOH   A O   
4591 O O   A HOH   G .   ? 0.2283 0.2161 0.1133 0.0966  0.0329  0.0598  572 HOH   A O   
4592 O O   B HOH   G .   ? 0.3130 0.1499 0.2990 -0.0034 -0.0130 0.1112  572 HOH   A O   
4593 O O   . HOH   G .   ? 0.3265 0.1435 0.3082 0.0837  -0.0563 0.0386  573 HOH   A O   
4594 O O   A HOH   G .   ? 0.0905 0.0891 0.0724 0.0075  0.0000  -0.0173 574 HOH   A O   
4595 O O   B HOH   G .   ? 0.1970 0.1561 0.0997 -0.0443 -0.0148 -0.0302 574 HOH   A O   
4596 O O   . HOH   G .   ? 0.0939 0.2178 0.2120 0.0032  0.0062  0.1280  575 HOH   A O   
4597 O O   . HOH   G .   ? 0.2004 0.0930 0.2745 -0.0320 -0.0212 -0.0183 576 HOH   A O   
4598 O O   . HOH   G .   ? 0.5872 0.3908 0.9446 -0.1391 0.2054  0.1116  577 HOH   A O   
4599 O O   . HOH   G .   ? 0.2982 0.2852 0.4119 0.1101  -0.1616 -0.1672 578 HOH   A O   
4600 O O   . HOH   G .   ? 0.2440 0.2810 0.1148 0.1274  0.0199  -0.0002 579 HOH   A O   
4601 O O   A HOH   G .   ? 0.1085 0.0563 0.0567 0.0098  -0.0174 -0.0169 580 HOH   A O   
4602 O O   B HOH   G .   ? 0.1999 0.1130 0.2254 -0.0388 -0.0729 0.0156  580 HOH   A O   
4603 O O   . HOH   G .   ? 0.1454 0.1632 0.0641 -0.0073 0.0130  -0.0415 581 HOH   A O   
4604 O O   . HOH   G .   ? 0.0951 0.0475 0.0372 0.0065  0.0051  -0.0035 582 HOH   A O   
4605 O O   . HOH   G .   ? 0.1698 0.0980 0.0830 0.0428  0.0345  0.0035  583 HOH   A O   
4606 O O   . HOH   G .   ? 0.1098 0.0708 0.0471 -0.0135 -0.0035 0.0008  584 HOH   A O   
4607 O O   A HOH   G .   ? 0.2875 0.2269 0.0914 0.0991  -0.0109 0.0010  585 HOH   A O   
4608 O O   B HOH   G .   ? 0.3905 0.2634 0.1601 0.1080  -0.0200 0.0619  585 HOH   A O   
4609 O O   . HOH   G .   ? 0.2072 0.1335 0.1960 -0.0611 -0.1010 0.0716  586 HOH   A O   
4610 O O   . HOH   G .   ? 0.1645 0.0690 0.1150 -0.0158 -0.0104 0.0277  587 HOH   A O   
4611 O O   . HOH   G .   ? 0.1673 0.2003 0.2013 0.0373  0.0306  0.0528  588 HOH   A O   
4612 O O   . HOH   G .   ? 0.1164 0.1055 0.0390 0.0066  -0.0198 -0.0100 589 HOH   A O   
4613 O O   . HOH   G .   ? 0.1243 0.1222 0.0739 0.0030  0.0174  0.0084  590 HOH   A O   
4614 O O   . HOH   G .   ? 0.1481 0.1627 0.1718 -0.0418 0.0121  -0.0410 591 HOH   A O   
4615 O O   . HOH   G .   ? 0.1446 0.2265 0.1547 -0.0565 -0.0177 0.0735  592 HOH   A O   
4616 O O   . HOH   G .   ? 0.1790 0.3137 0.0995 0.0589  -0.0097 -0.0032 593 HOH   A O   
4617 O O   . HOH   G .   ? 0.3871 0.1353 0.2211 -0.0539 0.1595  -0.0320 594 HOH   A O   
4618 O O   . HOH   G .   ? 0.2564 0.5057 0.1287 0.0241  0.0063  -0.0198 595 HOH   A O   
4619 O O   A HOH   G .   ? 0.1021 0.1203 0.0687 0.0043  -0.0022 -0.0122 596 HOH   A O   
4620 O O   B HOH   G .   ? 0.0613 0.2183 0.1807 -0.0102 -0.0006 0.0381  596 HOH   A O   
4621 O O   A HOH   G .   ? 0.1281 0.0889 0.0712 0.0158  -0.0236 -0.0165 597 HOH   A O   
4622 O O   B HOH   G .   ? 0.1595 0.2093 0.2434 -0.0263 -0.0009 -0.0222 597 HOH   A O   
4623 O O   . HOH   G .   ? 0.4489 0.3258 0.1891 0.2164  -0.0549 -0.0239 598 HOH   A O   
4624 O O   A HOH   G .   ? 0.0802 0.0711 0.0654 0.0094  0.0017  -0.0337 599 HOH   A O   
4625 O O   B HOH   G .   ? 0.2018 0.2737 0.1463 0.0177  -0.0280 -0.0513 599 HOH   A O   
4626 O O   . HOH   G .   ? 0.4727 0.1744 0.2323 0.0065  0.0290  -0.0777 600 HOH   A O   
4627 O O   . HOH   G .   ? 0.3075 0.1484 0.1181 -0.0953 0.0265  -0.0208 601 HOH   A O   
4628 O O   . HOH   G .   ? 0.2092 0.3205 0.1939 0.1381  0.0594  0.0502  602 HOH   A O   
4629 O O   A HOH   G .   ? 0.1400 0.0466 0.0800 0.0089  0.0306  -0.0065 603 HOH   A O   
4630 O O   B HOH   G .   ? 0.1907 0.1324 0.1280 -0.0623 0.0086  0.0511  603 HOH   A O   
4631 O O   . HOH   G .   ? 0.2275 0.1882 0.2153 0.0331  0.0104  -0.0231 604 HOH   A O   
4632 O O   . HOH   G .   ? 0.2481 0.1243 0.3616 0.0222  -0.1612 -0.0320 605 HOH   A O   
4633 O O   . HOH   G .   ? 0.2035 0.1692 0.1889 -0.0124 -0.0382 -0.0109 606 HOH   A O   
4634 O O   . HOH   G .   ? 0.2033 0.0810 0.0685 0.0356  -0.0407 -0.0140 607 HOH   A O   
4635 O O   . HOH   G .   ? 0.1571 0.0789 0.1595 -0.0146 0.0371  -0.0140 608 HOH   A O   
4636 O O   . HOH   G .   ? 0.0959 0.0951 0.0420 -0.0003 -0.0041 -0.0123 609 HOH   A O   
4637 O O   A HOH   G .   ? 0.1088 0.0636 0.1012 0.0081  0.0030  0.0440  610 HOH   A O   
4638 O O   B HOH   G .   ? 0.0950 0.0839 0.0540 0.0188  0.0006  0.0347  610 HOH   A O   
4639 O O   . HOH   G .   ? 0.1770 0.4983 0.4904 0.0857  0.0924  -0.0150 611 HOH   A O   
4640 O O   A HOH   G .   ? 0.2083 0.2266 0.1633 -0.1023 0.0830  -0.0661 612 HOH   A O   
4641 O O   B HOH   G .   ? 0.1515 0.3145 0.1373 -0.0839 -0.0034 0.0047  612 HOH   A O   
4642 O O   . HOH   G .   ? 0.4481 0.7261 0.3105 -0.0704 0.1743  0.0103  613 HOH   A O   
4643 O O   . HOH   G .   ? 0.4357 0.3874 0.4171 0.1411  0.1209  -0.1465 614 HOH   A O   
4644 O O   . HOH   G .   ? 0.1086 0.0760 0.0421 0.0029  0.0063  0.0027  615 HOH   A O   
4645 O O   . HOH   G .   ? 0.1156 0.2049 0.0641 -0.0069 -0.0111 -0.0158 616 HOH   A O   
4646 O O   . HOH   G .   ? 0.4953 0.3876 0.4214 -0.1405 -0.1536 -0.0287 617 HOH   A O   
4647 O O   . HOH   G .   ? 0.1658 0.0882 0.0572 -0.0143 0.0049  0.0008  618 HOH   A O   
4648 O O   . HOH   G .   ? 0.1039 0.0880 0.1039 -0.0144 0.0060  0.0097  619 HOH   A O   
4649 O O   . HOH   G .   ? 0.2229 0.3267 0.3666 0.0722  0.0987  0.1956  620 HOH   A O   
4650 O O   . HOH   G .   ? 0.1550 0.1860 0.1449 0.0098  -0.0158 -0.0071 621 HOH   A O   
4651 O O   . HOH   G .   ? 0.7717 0.5035 0.5962 -0.1591 0.2908  0.1066  622 HOH   A O   
4652 O O   . HOH   G .   ? 0.0945 0.0437 0.0425 -0.0033 -0.0146 -0.0022 623 HOH   A O   
4653 O O   . HOH   G .   ? 0.1504 0.1060 0.1279 0.0211  0.0367  0.0008  624 HOH   A O   
4654 O O   . HOH   G .   ? 0.2626 0.1180 0.2541 -0.0295 -0.0381 0.0372  625 HOH   A O   
4655 O O   . HOH   G .   ? 0.1376 0.1866 0.1590 -0.0102 -0.0156 -0.0384 626 HOH   A O   
4656 O O   . HOH   G .   ? 0.6083 0.2890 1.0157 0.0969  -0.1004 0.0128  627 HOH   A O   
4657 O O   . HOH   G .   ? 0.2169 0.1508 0.1942 -0.0121 0.0315  0.0476  628 HOH   A O   
4658 O O   . HOH   G .   ? 0.2289 0.1396 0.1364 -0.0608 0.0641  -0.0129 629 HOH   A O   
4659 O O   . HOH   G .   ? 0.1026 0.2472 0.0637 -0.0025 -0.0085 0.0042  630 HOH   A O   
4660 O O   . HOH   G .   ? 0.2005 0.1549 0.1242 0.0085  0.0233  0.0058  631 HOH   A O   
4661 O O   . HOH   G .   ? 0.0989 0.0997 0.0426 0.0041  0.0075  0.0130  632 HOH   A O   
4662 O O   . HOH   G .   ? 0.2842 0.1815 0.3096 0.0639  0.0902  0.0403  633 HOH   A O   
4663 O O   . HOH   G .   ? 0.1784 0.1118 0.1542 -0.0297 -0.0298 0.0273  634 HOH   A O   
4664 O O   . HOH   G .   ? 0.6661 0.4400 0.4355 -0.2112 -0.1315 0.1531  635 HOH   A O   
4665 O O   . HOH   G .   ? 0.2940 0.1413 0.2956 -0.0556 0.0677  -0.0816 636 HOH   A O   
4666 O O   . HOH   G .   ? 0.1168 0.1119 0.0759 0.0054  0.0038  0.0016  637 HOH   A O   
4667 O O   . HOH   G .   ? 0.2526 0.2319 0.3884 -0.0946 0.0847  -0.0721 638 HOH   A O   
4668 O O   . HOH   G .   ? 0.1101 0.2548 0.0950 0.0418  0.0136  0.0611  639 HOH   A O   
4669 O O   . HOH   G .   ? 0.1055 0.1570 0.0753 -0.0225 -0.0179 0.0238  640 HOH   A O   
4670 O O   . HOH   G .   ? 0.2058 0.1424 0.1614 -0.0674 0.0833  -0.0447 641 HOH   A O   
4671 O O   . HOH   G .   ? 0.2587 0.1209 0.1742 -0.0110 0.1202  -0.0192 642 HOH   A O   
4672 O O   . HOH   G .   ? 0.2353 0.1771 0.1895 -0.1082 0.0771  -0.0663 643 HOH   A O   
4673 O O   . HOH   G .   ? 0.2866 0.2110 0.2185 0.0191  0.1408  0.0462  644 HOH   A O   
4674 O O   . HOH   G .   ? 0.1246 0.0591 0.0708 0.0050  -0.0028 -0.0057 645 HOH   A O   
4675 O O   . HOH   G .   ? 0.1939 0.0705 0.1100 -0.0031 0.0216  0.0180  646 HOH   A O   
4676 O O   . HOH   G .   ? 0.1769 0.2152 0.0705 -0.0314 0.0255  0.0061  647 HOH   A O   
4677 O O   . HOH   G .   ? 0.2374 0.1481 0.0936 0.0305  0.0016  -0.0184 648 HOH   A O   
4678 O O   . HOH   G .   ? 0.3883 0.3438 0.2343 0.1521  0.0242  -0.0828 649 HOH   A O   
4679 O O   . HOH   G .   ? 0.1774 0.0983 0.1763 -0.0440 0.0930  -0.0507 650 HOH   A O   
4680 O O   A HOH   G .   ? 0.3575 0.2918 0.4942 -0.1452 -0.1745 0.1015  651 HOH   A O   
4681 O O   B HOH   G .   ? 0.4221 0.3419 0.4457 -0.1816 -0.1934 0.1700  651 HOH   A O   
4682 O O   . HOH   G .   ? 0.2831 0.1109 0.2010 -0.0087 -0.0830 0.0492  652 HOH   A O   
4683 O O   . HOH   G .   ? 0.4192 0.5041 0.2880 -0.0523 0.0910  0.0407  653 HOH   A O   
4684 O O   . HOH   G .   ? 0.7329 0.2062 0.3512 -0.0180 -0.1432 -0.0303 654 HOH   A O   
4685 O O   . HOH   G .   ? 0.2104 0.2013 0.2022 0.0019  -0.0554 -0.0274 655 HOH   A O   
4686 O O   . HOH   G .   ? 0.1013 0.0580 0.0827 -0.0010 -0.0018 -0.0153 656 HOH   A O   
4687 O O   . HOH   G .   ? 0.2836 0.5185 0.3372 -0.0346 -0.1210 0.1493  657 HOH   A O   
4688 O O   . HOH   G .   ? 0.1048 0.1081 0.0410 0.0228  0.0050  -0.0148 658 HOH   A O   
4689 O O   . HOH   G .   ? 0.2809 0.3612 0.1511 -0.0255 -0.0176 0.1101  659 HOH   A O   
4690 O O   . HOH   G .   ? 0.3382 0.1347 0.4211 -0.0361 0.0520  0.0606  660 HOH   A O   
4691 O O   . HOH   G .   ? 0.9130 0.4941 0.6633 -0.0603 0.0478  0.3289  661 HOH   A O   
4692 O O   A HOH   G .   ? 0.2421 0.3266 0.3725 0.0659  0.0836  0.2013  662 HOH   A O   
4693 O O   B HOH   G .   ? 0.2412 0.4016 0.4451 0.0973  0.0315  0.2143  662 HOH   A O   
4694 O O   A HOH   G .   ? 0.3800 0.2228 0.3415 0.0719  0.0620  -0.1286 663 HOH   A O   
4695 O O   B HOH   G .   ? 0.2768 0.2204 0.2520 0.0771  0.0738  -0.0909 663 HOH   A O   
4696 O O   . HOH   G .   ? 0.4235 0.4354 0.5387 -0.1458 -0.1343 0.2648  664 HOH   A O   
4697 O O   . HOH   G .   ? 0.2587 0.1854 0.3672 -0.0371 0.0838  -0.0985 665 HOH   A O   
4698 O O   . HOH   G .   ? 0.2805 0.4389 0.5885 0.0703  -0.0974 -0.2906 666 HOH   A O   
4699 O O   . HOH   G .   ? 0.2570 0.2319 0.1737 0.0211  0.0082  -0.0515 667 HOH   A O   
4700 O O   . HOH   G .   ? 0.1825 0.2413 0.2242 -0.0881 0.0378  -0.0354 668 HOH   A O   
4701 O O   . HOH   G .   ? 0.1578 0.3318 0.3948 0.0040  0.0529  0.1003  669 HOH   A O   
4702 O O   . HOH   G .   ? 0.0959 0.1758 0.0813 0.0209  -0.0014 -0.0297 670 HOH   A O   
4703 O O   . HOH   G .   ? 0.4374 0.2319 0.2560 -0.1232 -0.0105 0.0014  671 HOH   A O   
4704 O O   . HOH   G .   ? 0.1707 0.3587 0.1855 -0.0113 -0.0070 0.1382  672 HOH   A O   
4705 O O   A HOH   G .   ? 0.2302 0.1213 0.2788 -0.0157 -0.1323 0.0464  673 HOH   A O   
4706 O O   B HOH   G .   ? 0.2089 0.1706 0.3319 0.0506  -0.0403 0.0926  673 HOH   A O   
4707 O O   . HOH   G .   ? 0.1433 0.2518 0.0839 -0.0343 -0.0121 -0.0440 674 HOH   A O   
4708 O O   . HOH   G .   ? 0.1765 0.1898 0.1337 0.0269  0.0213  0.0332  675 HOH   A O   
4709 O O   . HOH   G .   ? 0.6868 0.2802 0.2796 -0.2050 -0.0448 0.0106  676 HOH   A O   
4710 O O   . HOH   G .   ? 0.1882 0.1758 0.1033 -0.0057 -0.0681 -0.0328 677 HOH   A O   
4711 O O   . HOH   G .   ? 0.2818 0.4431 0.1279 -0.1095 0.0212  -0.0060 678 HOH   A O   
4712 O O   . HOH   G .   ? 0.1013 0.1038 0.0917 0.0036  0.0077  -0.0176 679 HOH   A O   
4713 O O   . HOH   G .   ? 0.2460 0.5740 0.1607 -0.1485 0.0025  0.0169  680 HOH   A O   
4714 O O   . HOH   G .   ? 0.2166 0.3085 0.1703 0.0902  0.0471  0.0238  681 HOH   A O   
4715 O O   . HOH   G .   ? 0.2937 0.3494 0.1187 0.0178  0.0287  0.0027  682 HOH   A O   
4716 O O   . HOH   G .   ? 0.4214 0.2507 0.3911 -0.0394 -0.0448 -0.0736 683 HOH   A O   
4717 O O   . HOH   G .   ? 0.1927 0.1808 0.1185 -0.0501 0.0201  -0.0491 684 HOH   A O   
4718 O O   . HOH   G .   ? 0.3717 0.5399 0.4735 0.1501  0.1985  0.0632  685 HOH   A O   
4719 O O   . HOH   G .   ? 0.1974 0.1394 0.1141 -0.0072 0.0395  -0.0267 686 HOH   A O   
4720 O O   A HOH   G .   ? 0.1537 0.1457 0.0739 0.0469  -0.0055 -0.0287 687 HOH   A O   
4721 O O   B HOH   G .   ? 0.1788 0.2389 0.0780 0.0197  -0.0282 -0.0218 687 HOH   A O   
4722 O O   . HOH   G .   ? 0.2053 0.2081 0.1999 -0.0218 -0.0498 -0.0613 688 HOH   A O   
4723 O O   . HOH   G .   ? 0.4205 0.6425 0.4427 -0.2700 -0.0476 0.1705  689 HOH   A O   
4724 O O   . HOH   G .   ? 0.1985 0.1980 0.1000 -0.0305 0.0192  -0.0298 690 HOH   A O   
4725 O O   . HOH   G .   ? 0.3890 0.3450 0.3939 -0.0568 -0.0133 -0.0945 691 HOH   A O   
4726 O O   . HOH   G .   ? 0.1335 0.1143 0.1017 -0.0184 -0.0036 -0.0268 692 HOH   A O   
4727 O O   . HOH   G .   ? 0.1186 0.0665 0.0732 0.0066  0.0143  -0.0022 693 HOH   A O   
4728 O O   . HOH   G .   ? 0.2070 0.2196 0.1555 0.0894  0.0665  -0.0051 694 HOH   A O   
4729 O O   . HOH   G .   ? 0.1950 0.1833 0.0727 0.0270  -0.0015 0.0454  695 HOH   A O   
4730 O O   . HOH   G .   ? 0.1930 0.2562 0.1184 0.0998  0.0351  -0.0138 696 HOH   A O   
4731 O O   . HOH   G .   ? 0.1816 0.1910 0.1701 -0.0103 -0.0246 0.0095  697 HOH   A O   
4732 O O   . HOH   G .   ? 0.1363 0.1053 0.0805 0.0180  0.0110  -0.0065 698 HOH   A O   
4733 O O   . HOH   G .   ? 0.2402 0.3018 0.2555 0.1091  -0.0449 -0.1411 699 HOH   A O   
4734 O O   . HOH   G .   ? 0.5442 0.2704 0.6423 -0.0657 0.2602  0.0456  700 HOH   A O   
4735 O O   . HOH   G .   ? 0.1406 0.3909 0.2379 0.0297  0.0368  -0.0857 701 HOH   A O   
4736 O O   . HOH   G .   ? 0.2350 0.2229 0.5328 0.0719  0.0612  0.1217  702 HOH   A O   
4737 O O   . HOH   G .   ? 0.2600 0.3131 0.5901 -0.0253 0.0668  0.1982  703 HOH   A O   
4738 O O   . HOH   G .   ? 0.2719 0.3088 0.1393 0.0457  -0.0035 -0.0840 704 HOH   A O   
4739 O O   . HOH   G .   ? 0.1449 0.0739 0.0861 0.0027  -0.0123 0.0050  705 HOH   A O   
4740 O O   . HOH   G .   ? 0.2908 0.5419 0.2037 0.0210  0.0219  0.0158  706 HOH   A O   
4741 O O   . HOH   G .   ? 0.2018 0.1962 0.2002 0.0177  0.0314  -0.0160 707 HOH   A O   
4742 O O   . HOH   G .   ? 0.2159 0.3201 0.1740 -0.0927 0.0636  -0.1138 708 HOH   A O   
4743 O O   . HOH   G .   ? 0.2417 0.2101 0.2284 0.0177  0.0196  0.0310  709 HOH   A O   
4744 O O   . HOH   G .   ? 0.1254 0.0834 0.0693 0.0056  0.0244  -0.0236 710 HOH   A O   
4745 O O   . HOH   G .   ? 0.2798 0.7182 0.4957 -0.0213 -0.1237 0.2041  711 HOH   A O   
4746 O O   . HOH   G .   ? 0.2675 0.1749 0.4411 -0.0892 -0.0253 0.0597  712 HOH   A O   
4747 O O   . HOH   G .   ? 0.4346 0.2845 0.3222 0.0417  -0.0616 0.1655  713 HOH   A O   
4748 O O   . HOH   G .   ? 0.4952 0.4225 0.2986 0.0793  0.1676  0.0146  714 HOH   A O   
4749 O O   A HOH   G .   ? 0.2686 0.1063 0.1130 0.0445  0.0699  0.0010  715 HOH   A O   
4750 O O   B HOH   G .   ? 0.3509 0.1326 0.3573 0.0758  -0.0165 0.0604  715 HOH   A O   
4751 O O   . HOH   G .   ? 0.4117 0.2357 0.1256 0.1074  0.0266  0.0325  716 HOH   A O   
4752 O O   . HOH   G .   ? 0.4392 0.5744 0.2794 -0.0139 -0.1215 -0.0752 717 HOH   A O   
4753 O O   . HOH   G .   ? 0.1600 0.0697 0.0493 0.0069  0.0013  0.0003  718 HOH   A O   
4754 O O   A HOH   G .   ? 0.1535 0.1389 0.1315 -0.0002 -0.0480 -0.0083 719 HOH   A O   
4755 O O   B HOH   G .   ? 0.2921 0.2350 0.1147 -0.0681 0.0240  -0.0629 719 HOH   A O   
4756 O O   . HOH   G .   ? 0.3190 0.2601 0.2071 -0.0688 0.0515  -0.0572 720 HOH   A O   
4757 O O   . HOH   G .   ? 0.4424 0.1833 0.2180 0.0852  0.0450  0.0511  721 HOH   A O   
4758 O O   . HOH   G .   ? 0.5715 0.4365 0.4590 0.1024  -0.0920 0.2306  722 HOH   A O   
4759 O O   . HOH   G .   ? 0.1806 0.2383 0.1473 0.0624  0.0013  -0.0814 723 HOH   A O   
4760 O O   . HOH   G .   ? 0.2609 0.1078 0.2947 0.0125  0.0299  -0.0702 724 HOH   A O   
4761 O O   . HOH   G .   ? 0.2650 0.6566 0.2686 0.0515  -0.0682 0.1041  725 HOH   A O   
4762 O O   . HOH   G .   ? 0.1873 0.1752 0.1655 -0.0598 -0.0317 0.0915  726 HOH   A O   
4763 O O   . HOH   G .   ? 0.2866 0.3054 0.5093 0.0227  -0.1651 0.0560  727 HOH   A O   
4764 O O   . HOH   G .   ? 0.6618 0.2749 0.3314 0.1704  0.1609  0.0542  728 HOH   A O   
4765 O O   . HOH   G .   ? 0.2291 0.1939 0.3404 0.0323  0.0052  0.1205  729 HOH   A O   
4766 O O   . HOH   G .   ? 0.2357 0.6087 0.4509 0.0792  0.1360  -0.0151 730 HOH   A O   
4767 O O   . HOH   G .   ? 0.5463 0.2993 0.3094 0.2025  0.1352  0.0440  731 HOH   A O   
4768 O O   . HOH   G .   ? 0.2319 0.1990 0.2459 0.0270  0.0155  -0.0437 732 HOH   A O   
4769 O O   A HOH   G .   ? 0.5573 0.3891 0.2091 0.0502  -0.1292 0.0461  733 HOH   A O   
4770 O O   B HOH   G .   ? 0.6517 0.4102 0.2868 0.0822  -0.1485 -0.0234 733 HOH   A O   
4771 O O   . HOH   G .   ? 0.1738 0.1206 0.1881 -0.0540 0.0233  -0.0291 734 HOH   A O   
4772 O O   . HOH   G .   ? 0.4558 0.3401 0.5155 0.0802  0.2738  0.0155  735 HOH   A O   
4773 O O   . HOH   G .   ? 0.3846 0.4521 0.3935 -0.1694 0.1721  -0.1596 736 HOH   A O   
4774 O O   . HOH   G .   ? 0.5862 0.2532 0.3561 -0.0970 0.1144  -0.1237 737 HOH   A O   
4775 O O   . HOH   G .   ? 0.8734 0.3940 0.2372 -0.1757 0.0463  -0.0182 738 HOH   A O   
4776 O O   . HOH   G .   ? 0.3050 0.2574 0.4854 0.1144  0.1554  0.0576  739 HOH   A O   
4777 O O   . HOH   G .   ? 0.2086 0.6923 0.2042 -0.0743 0.0285  -0.0540 740 HOH   A O   
4778 O O   . HOH   G .   ? 0.5487 0.1753 0.3486 0.0290  0.0000  0.0839  741 HOH   A O   
4779 O O   . HOH   G .   ? 0.2200 0.2226 0.1243 0.0935  -0.0149 0.0131  742 HOH   A O   
4780 O O   . HOH   G .   ? 0.4977 0.6379 0.9274 0.2560  0.1896  0.0502  743 HOH   A O   
4781 O O   . HOH   G .   ? 0.2023 0.1227 0.1291 -0.0084 0.0017  -0.0240 744 HOH   A O   
4782 O O   A HOH   G .   ? 0.3685 0.3095 0.4129 0.1778  0.1278  0.0918  745 HOH   A O   
4783 O O   B HOH   G .   ? 0.4331 0.3516 0.5465 0.1581  0.1855  0.0967  745 HOH   A O   
4784 O O   . HOH   G .   ? 0.5986 0.2884 0.2192 0.0119  0.1463  0.0351  746 HOH   A O   
4785 O O   . HOH   G .   ? 0.5115 0.2906 0.5111 -0.1765 0.0714  0.0832  747 HOH   A O   
4786 O O   . HOH   G .   ? 0.3284 0.1187 0.3054 0.0405  0.1192  0.0272  748 HOH   A O   
4787 O O   . HOH   G .   ? 0.3025 0.1147 0.2508 -0.0597 0.0316  0.0070  749 HOH   A O   
4788 O O   . HOH   G .   ? 0.1965 0.4573 0.4797 0.0276  0.0436  -0.1462 750 HOH   A O   
4789 O O   . HOH   G .   ? 0.1197 0.0815 0.0600 0.0005  -0.0032 -0.0131 751 HOH   A O   
4790 O O   . HOH   G .   ? 0.5464 0.4205 0.4099 -0.0444 0.0093  0.0013  752 HOH   A O   
4791 O O   . HOH   G .   ? 0.3714 0.4664 0.4179 -0.2301 -0.1031 0.0505  753 HOH   A O   
4792 O O   A HOH   G .   ? 0.3489 0.3992 0.4067 -0.0114 -0.0288 0.0790  754 HOH   A O   
4793 O O   B HOH   G .   ? 0.3546 0.3828 0.4056 -0.0399 0.0019  0.0250  754 HOH   A O   
4794 O O   . HOH   G .   ? 0.2117 0.2510 0.7302 -0.0102 -0.1108 0.0345  755 HOH   A O   
4795 O O   . HOH   G .   ? 0.4927 0.4942 0.4197 -0.0085 0.0768  -0.0162 756 HOH   A O   
4796 O O   . HOH   G .   ? 0.4930 0.5379 0.1740 0.0102  0.1165  -0.0122 757 HOH   A O   
4797 O O   . HOH   G .   ? 0.4414 0.3532 0.8055 -0.0097 -0.2959 -0.0959 758 HOH   A O   
4798 O O   . HOH   G .   ? 0.5656 0.6128 0.1637 -0.0399 0.0370  -0.0215 759 HOH   A O   
4799 O O   . HOH   G .   ? 0.5037 0.7477 0.4948 -0.0027 0.1938  -0.0114 760 HOH   A O   
4800 O O   A HOH   G .   ? 0.2196 0.3544 0.1184 0.0086  -0.0158 0.0751  761 HOH   A O   
4801 O O   B HOH   G .   ? 0.1639 0.3065 0.1445 0.0278  -0.0185 0.0967  761 HOH   A O   
4802 O O   . HOH   G .   ? 0.3413 0.4515 0.3812 0.0689  -0.0959 0.0129  762 HOH   A O   
4803 O O   . HOH   G .   ? 0.3893 0.1784 0.3309 -0.0519 -0.1537 0.0888  763 HOH   A O   
4804 O O   . HOH   G .   ? 0.6785 0.7952 0.2217 0.1162  0.0117  -0.0453 764 HOH   A O   
4805 O O   . HOH   G .   ? 0.4012 0.3332 0.3959 0.1613  0.0504  0.1602  765 HOH   A O   
4806 O O   . HOH   G .   ? 0.6619 0.3361 0.3563 0.0195  0.2515  0.0580  766 HOH   A O   
4807 O O   . HOH   G .   ? 0.2774 0.5026 0.1815 -0.1950 -0.0457 0.0590  767 HOH   A O   
4808 O O   . HOH   G .   ? 0.2098 0.2397 0.3564 -0.0896 -0.1275 0.1517  768 HOH   A O   
4809 O O   . HOH   G .   ? 0.3151 0.2763 0.2857 -0.1027 0.0439  0.1211  769 HOH   A O   
4810 O O   . HOH   G .   ? 0.2661 0.3880 0.4056 0.0859  -0.1273 -0.1720 770 HOH   A O   
4811 O O   . HOH   G .   ? 0.6322 0.4570 0.3422 0.2473  0.1859  0.0490  771 HOH   A O   
4812 O O   . HOH   G .   ? 0.4299 0.4850 0.3654 -0.1716 -0.1724 -0.0195 772 HOH   A O   
4813 O O   . HOH   G .   ? 0.5179 0.4523 0.3836 0.0625  0.1022  0.1592  773 HOH   A O   
4814 O O   . HOH   G .   ? 0.5139 0.2307 0.2977 0.1056  -0.1661 -0.0284 774 HOH   A O   
4815 O O   . HOH   G .   ? 0.3487 0.5614 0.2512 -0.2107 -0.0016 0.0989  775 HOH   A O   
4816 O O   . HOH   G .   ? 0.3005 0.8180 0.4064 0.2028  0.0524  0.0483  776 HOH   A O   
4817 O O   . HOH   G .   ? 0.1626 0.1062 0.3406 0.0031  -0.0564 0.0361  777 HOH   A O   
4818 O O   . HOH   G .   ? 0.1362 0.2098 0.1114 0.0127  -0.0136 -0.0255 778 HOH   A O   
4819 O O   . HOH   G .   ? 0.3031 0.3307 0.8311 -0.0529 0.0953  -0.2250 779 HOH   A O   
4820 O O   . HOH   G .   ? 0.2649 0.2960 0.1837 0.0178  0.0292  -0.0016 780 HOH   A O   
4821 O O   . HOH   G .   ? 0.1464 0.5182 0.5165 0.0565  0.0422  -0.0141 781 HOH   A O   
4822 O O   . HOH   G .   ? 0.3360 0.6537 0.2378 0.1548  -0.0550 -0.0673 782 HOH   A O   
4823 O O   . HOH   G .   ? 0.3696 0.2265 0.1721 -0.0207 -0.0375 -0.0171 783 HOH   A O   
4824 O O   . HOH   G .   ? 0.6716 0.7327 0.4762 -0.0236 0.3261  -0.0528 784 HOH   A O   
4825 O O   . HOH   G .   ? 0.4169 0.7966 0.5689 -0.1951 0.0485  -0.3358 785 HOH   A O   
4826 O O   . HOH   G .   ? 0.2264 0.2502 0.1787 -0.0262 0.0133  -0.0146 786 HOH   A O   
4827 O O   . HOH   G .   ? 0.3464 0.2157 0.6289 -0.0103 0.1219  0.1152  787 HOH   A O   
4828 O O   . HOH   G .   ? 0.5723 0.6790 0.4461 -0.3116 0.1094  -0.0147 788 HOH   A O   
4829 O O   . HOH   G .   ? 0.1880 0.2995 0.1480 -0.0392 0.0134  0.0672  789 HOH   A O   
4830 O O   . HOH   G .   ? 0.3771 0.2266 0.1123 -0.0898 -0.0026 -0.0253 790 HOH   A O   
4831 O O   . HOH   G .   ? 0.2414 0.1782 0.1063 -0.0289 -0.0138 0.0444  791 HOH   A O   
4832 O O   . HOH   G .   ? 0.5821 0.5643 0.3914 -0.1346 -0.1496 -0.1830 792 HOH   A O   
4833 O O   . HOH   G .   ? 0.6372 0.5376 0.4328 0.2823  -0.2547 -0.1939 793 HOH   A O   
4834 O O   . HOH   G .   ? 0.3371 0.1988 0.4347 -0.0253 0.1507  0.0479  794 HOH   A O   
4835 O O   . HOH   G .   ? 0.3888 0.3648 0.2319 0.1278  0.1457  0.0496  795 HOH   A O   
4836 O O   . HOH   G .   ? 0.3807 0.3837 0.4567 -0.1325 -0.0729 0.0700  796 HOH   A O   
4837 O O   . HOH   G .   ? 0.4473 0.5810 0.4953 0.2799  0.0370  0.1403  797 HOH   A O   
4838 O O   . HOH   G .   ? 0.2292 0.1671 0.3433 -0.0019 -0.0839 0.0437  798 HOH   A O   
4839 O O   . HOH   G .   ? 0.2508 0.1114 0.0815 0.0046  0.0320  -0.0050 799 HOH   A O   
4840 O O   . HOH   G .   ? 0.6743 0.6433 0.6110 -0.1932 -0.2239 -0.2181 800 HOH   A O   
4841 O O   . HOH   G .   ? 0.2998 0.4733 0.3572 -0.0657 0.0934  -0.2270 801 HOH   A O   
4842 O O   . HOH   G .   ? 0.2502 0.6413 0.4858 0.0934  0.1430  0.0331  802 HOH   A O   
4843 O O   . HOH   G .   ? 0.3914 0.2630 0.2144 -0.0163 -0.0262 0.0853  803 HOH   A O   
4844 O O   . HOH   G .   ? 0.2576 0.1520 0.1046 -0.0057 0.0378  -0.0246 804 HOH   A O   
4845 O O   . HOH   G .   ? 0.5071 0.2439 0.1877 -0.0639 0.0584  -0.0502 805 HOH   A O   
4846 O O   . HOH   G .   ? 0.1962 0.0653 0.0831 -0.0353 -0.0376 0.0025  806 HOH   A O   
4847 O O   . HOH   G .   ? 0.3654 0.5427 0.5772 0.0713  -0.1394 0.2091  807 HOH   A O   
4848 O O   . HOH   G .   ? 0.5054 0.1978 0.4511 -0.0316 0.0056  0.0156  808 HOH   A O   
4849 O O   . HOH   G .   ? 0.5423 0.6092 0.9079 -0.2590 0.0960  0.1955  809 HOH   A O   
4850 O O   . HOH   G .   ? 0.3767 0.3115 0.2251 -0.1078 0.0236  -0.0384 810 HOH   A O   
4851 O O   . HOH   G .   ? 0.4333 0.3618 0.3382 0.0230  -0.0708 0.0357  811 HOH   A O   
4852 O O   . HOH   G .   ? 0.4834 0.5611 0.3864 0.2811  -0.1904 -0.2185 812 HOH   A O   
4853 O O   . HOH   G .   ? 0.7572 0.5020 0.5070 -0.2502 -0.2317 -0.0306 813 HOH   A O   
4854 O O   . HOH   G .   ? 0.1843 0.2086 0.1508 0.0084  0.0376  -0.0693 814 HOH   A O   
4855 O O   . HOH   G .   ? 0.1688 0.1829 0.4282 0.0165  0.0351  0.1261  815 HOH   A O   
4856 O O   . HOH   G .   ? 0.2802 0.1474 0.3757 0.0438  -0.0337 0.0593  816 HOH   A O   
4857 O O   . HOH   G .   ? 0.2348 0.5780 0.2485 0.0753  -0.0779 -0.1241 817 HOH   A O   
4858 O O   A HOH   G .   ? 0.1476 0.1151 0.1664 0.0186  0.0655  -0.0266 818 HOH   A O   
4859 O O   B HOH   G .   ? 0.1067 0.1670 0.2549 0.0281  0.0192  -0.0513 818 HOH   A O   
4860 O O   . HOH   G .   ? 0.5237 0.4169 0.3136 -0.0128 -0.0877 -0.1878 819 HOH   A O   
4861 O O   . HOH   G .   ? 0.4030 0.2272 0.1513 -0.1367 -0.0797 0.0270  820 HOH   A O   
4862 O O   . HOH   G .   ? 0.7145 0.4336 0.2063 0.1410  0.0689  0.0012  821 HOH   A O   
4863 O O   . HOH   G .   ? 0.4020 0.4093 0.2920 0.1749  0.1215  0.0372  822 HOH   A O   
4864 O O   . HOH   G .   ? 0.2456 0.1587 0.2183 0.0297  -0.0700 -0.0543 823 HOH   A O   
4865 O O   . HOH   G .   ? 0.4048 0.2926 0.4118 -0.1310 -0.1524 0.1559  824 HOH   A O   
4866 O O   . HOH   G .   ? 0.5907 0.3290 0.5295 -0.0185 -0.3325 0.0363  825 HOH   A O   
4867 O O   A HOH   G .   ? 0.2547 0.1452 0.2891 -0.0031 -0.0653 -0.0617 826 HOH   A O   
4868 O O   B HOH   G .   ? 0.3622 0.3366 0.3328 0.0352  0.0150  0.0072  826 HOH   A O   
4869 O O   . HOH   G .   ? 0.2707 0.5561 0.1875 0.1949  -0.0030 -0.0339 827 HOH   A O   
4870 O O   A HOH   G .   ? 0.9215 0.2568 0.3523 -0.0221 0.2547  -0.0083 828 HOH   A O   
4871 O O   B HOH   G .   ? 0.9171 0.2605 0.3792 0.0285  0.2790  0.0123  828 HOH   A O   
4872 O O   . HOH   G .   ? 0.2706 0.1183 0.1357 0.0224  -0.0182 0.0211  829 HOH   A O   
4873 O O   . HOH   G .   ? 0.4033 0.3254 0.4936 0.0602  0.0385  0.1249  830 HOH   A O   
4874 O O   . HOH   G .   ? 0.2335 0.5456 0.4211 -0.0306 -0.0893 0.1927  831 HOH   A O   
4875 O O   . HOH   G .   ? 0.4381 0.1826 0.1223 -0.0340 0.0028  -0.0285 832 HOH   A O   
4876 O O   . HOH   G .   ? 0.1216 0.1074 0.1081 0.0079  -0.0161 -0.0170 833 HOH   A O   
4877 O O   . HOH   G .   ? 0.2258 0.1822 0.0784 -0.0338 0.0319  -0.0060 834 HOH   A O   
4878 O O   . HOH   G .   ? 0.5108 0.2504 0.3647 0.0907  -0.2180 -0.1062 835 HOH   A O   
4879 O O   . HOH   G .   ? 0.1581 0.3527 0.1537 0.0541  -0.0023 -0.0833 836 HOH   A O   
4880 O O   . HOH   G .   ? 0.6833 0.3636 0.8013 -0.0302 0.3307  -0.1709 837 HOH   A O   
# 
