data_9GFE
# 
_entry.id   9GFE 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_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   9GFE         pdb_00009gfe 10.2210/pdb9gfe/pdb 
WWPDB D_1292140908 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 2025-01-22 
2 'Structure model' 1 1 2025-02-05 
# 
_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_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
_pdbx_audit_revision_category.ordinal             1 
_pdbx_audit_revision_category.revision_ordinal    2 
_pdbx_audit_revision_category.data_content_type   'Structure model' 
_pdbx_audit_revision_category.category            citation 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume' 
2 2 'Structure model' '_citation.year'           
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9GFE 
_pdbx_database_status.recvd_initial_deposition_date   2024-08-09 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              g.guichard@iecb.u-bordeaux.fr 
_pdbx_contact_author.name_first         Gilles 
_pdbx_contact_author.name_last          Guichard 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-2584-7502 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Perdriau, C.'     1  ?                   
'Luton, A.'        2  ?                   
'Zimmeter, K.'     3  ?                   
'Neuville, M.'     4  ?                   
'Saragaglia, C.'   5  ?                   
'Peluso-lltis, C.' 6  ?                   
'Kauffmann, B.'    7  0000-0002-2932-3255 
'Collie, G.'       8  0000-0002-0406-922X 
'Rochel, N.'       9  0000-0002-3573-5889 
'Guichard, G.'     10 0000-0002-2584-7502 
'Pasco, M.'        11 0000-0002-1556-2802 
# 
_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                   GE 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Angew.Chem.Int.Ed.Engl. 
_citation.journal_id_ASTM           ACIEAY 
_citation.journal_id_CSD            0179 
_citation.journal_id_ISSN           1521-3773 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            64 
_citation.language                  ? 
_citation.page_first                e202416348 
_citation.page_last                 e202416348 
_citation.title                     'Guanidinium-Stapled Helical Peptides for Targeting Protein-Protein Interactions.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/anie.202416348 
_citation.pdbx_database_id_PubMed   39714600 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Perdriau, C.'     1  ?                   
primary 'Luton, A.'        2  ?                   
primary 'Zimmeter, K.'     3  0009-0000-2289-8091 
primary 'Neuville, M.'     4  ?                   
primary 'Saragaglia, C.'   5  0000-0002-9686-8992 
primary 'Peluso-Iltis, C.' 6  ?                   
primary 'Osz, J.'          7  ?                   
primary 'Kauffmann, B.'    8  0000-0002-2932-3255 
primary 'Collie, G.W.'     9  0000-0002-0406-922X 
primary 'Rochel, N.'       10 0000-0002-3573-5889 
primary 'Guichard, G.'     11 0000-0002-2584-7502 
primary 'Pasco, M.'        12 0000-0002-1556-2802 
# 
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 'Retinoic acid receptor alpha'                                                           26587.010 1   ? ? ? ? 
2 polymer     syn 'Stapled peptide-like ligand'                                                            1198.504  1   ? ? ? ? 
3 non-polymer syn '4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid' 351.439   1   ? ? ? ? 
4 water       nat water                                                                                    18.015    162 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'RAR-alpha,Nuclear receptor subfamily 1 group B member 1' 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no  
;TPEVGELIEKVRKAHQETFPALCQLGKYTTNNSSEQRVSLDIDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITL
LKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQLLPLEMDDAETGLLSAICLICGDRQ
DLEQPDRVDMLQEPLLEALKVYVRKRRPSRPHMFPKMLMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLE
;
;TPEVGELIEKVRKAHQETFPALCQLGKYTTNNSSEQRVSLDIDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITL
LKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQLLPLEMDDAETGLLSAICLICGDRQ
DLEQPDRVDMLQEPLLEALKVYVRKRRPSRPHMFPKMLMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLE
;
A ? 
2 'polypeptide(L)' no yes '(ACE)AH(NLE)ILH(HRG)LLA' XAHLILHRLLA B ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 '4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid' EQN 
4 water                                                                                    HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   THR n 
1 2   PRO n 
1 3   GLU n 
1 4   VAL n 
1 5   GLY n 
1 6   GLU n 
1 7   LEU n 
1 8   ILE n 
1 9   GLU n 
1 10  LYS n 
1 11  VAL n 
1 12  ARG n 
1 13  LYS n 
1 14  ALA n 
1 15  HIS n 
1 16  GLN n 
1 17  GLU n 
1 18  THR n 
1 19  PHE n 
1 20  PRO n 
1 21  ALA n 
1 22  LEU n 
1 23  CYS n 
1 24  GLN n 
1 25  LEU n 
1 26  GLY n 
1 27  LYS n 
1 28  TYR n 
1 29  THR n 
1 30  THR n 
1 31  ASN n 
1 32  ASN n 
1 33  SER n 
1 34  SER n 
1 35  GLU n 
1 36  GLN n 
1 37  ARG n 
1 38  VAL n 
1 39  SER n 
1 40  LEU n 
1 41  ASP n 
1 42  ILE n 
1 43  ASP n 
1 44  LEU n 
1 45  TRP n 
1 46  ASP n 
1 47  LYS n 
1 48  PHE n 
1 49  SER n 
1 50  GLU n 
1 51  LEU n 
1 52  SER n 
1 53  THR n 
1 54  LYS n 
1 55  CYS n 
1 56  ILE n 
1 57  ILE n 
1 58  LYS n 
1 59  THR n 
1 60  VAL n 
1 61  GLU n 
1 62  PHE n 
1 63  ALA n 
1 64  LYS n 
1 65  GLN n 
1 66  LEU n 
1 67  PRO n 
1 68  GLY n 
1 69  PHE n 
1 70  THR n 
1 71  THR n 
1 72  LEU n 
1 73  THR n 
1 74  ILE n 
1 75  ALA n 
1 76  ASP n 
1 77  GLN n 
1 78  ILE n 
1 79  THR n 
1 80  LEU n 
1 81  LEU n 
1 82  LYS n 
1 83  ALA n 
1 84  ALA n 
1 85  CYS n 
1 86  LEU n 
1 87  ASP n 
1 88  ILE n 
1 89  LEU n 
1 90  ILE n 
1 91  LEU n 
1 92  ARG n 
1 93  ILE n 
1 94  CYS n 
1 95  THR n 
1 96  ARG n 
1 97  TYR n 
1 98  THR n 
1 99  PRO n 
1 100 GLU n 
1 101 GLN n 
1 102 ASP n 
1 103 THR n 
1 104 MET n 
1 105 THR n 
1 106 PHE n 
1 107 SER n 
1 108 ASP n 
1 109 GLY n 
1 110 LEU n 
1 111 THR n 
1 112 LEU n 
1 113 ASN n 
1 114 ARG n 
1 115 THR n 
1 116 GLN n 
1 117 MET n 
1 118 HIS n 
1 119 ASN n 
1 120 ALA n 
1 121 GLY n 
1 122 PHE n 
1 123 GLY n 
1 124 PRO n 
1 125 LEU n 
1 126 THR n 
1 127 ASP n 
1 128 LEU n 
1 129 VAL n 
1 130 PHE n 
1 131 ALA n 
1 132 PHE n 
1 133 ALA n 
1 134 ASN n 
1 135 GLN n 
1 136 LEU n 
1 137 LEU n 
1 138 PRO n 
1 139 LEU n 
1 140 GLU n 
1 141 MET n 
1 142 ASP n 
1 143 ASP n 
1 144 ALA n 
1 145 GLU n 
1 146 THR n 
1 147 GLY n 
1 148 LEU n 
1 149 LEU n 
1 150 SER n 
1 151 ALA n 
1 152 ILE n 
1 153 CYS n 
1 154 LEU n 
1 155 ILE n 
1 156 CYS n 
1 157 GLY n 
1 158 ASP n 
1 159 ARG n 
1 160 GLN n 
1 161 ASP n 
1 162 LEU n 
1 163 GLU n 
1 164 GLN n 
1 165 PRO n 
1 166 ASP n 
1 167 ARG n 
1 168 VAL n 
1 169 ASP n 
1 170 MET n 
1 171 LEU n 
1 172 GLN n 
1 173 GLU n 
1 174 PRO n 
1 175 LEU n 
1 176 LEU n 
1 177 GLU n 
1 178 ALA n 
1 179 LEU n 
1 180 LYS n 
1 181 VAL n 
1 182 TYR n 
1 183 VAL n 
1 184 ARG n 
1 185 LYS n 
1 186 ARG n 
1 187 ARG n 
1 188 PRO n 
1 189 SER n 
1 190 ARG n 
1 191 PRO n 
1 192 HIS n 
1 193 MET n 
1 194 PHE n 
1 195 PRO n 
1 196 LYS n 
1 197 MET n 
1 198 LEU n 
1 199 MET n 
1 200 LYS n 
1 201 ILE n 
1 202 THR n 
1 203 ASP n 
1 204 LEU n 
1 205 ARG n 
1 206 SER n 
1 207 ILE n 
1 208 SER n 
1 209 ALA n 
1 210 LYS n 
1 211 GLY n 
1 212 ALA n 
1 213 GLU n 
1 214 ARG n 
1 215 VAL n 
1 216 ILE n 
1 217 THR n 
1 218 LEU n 
1 219 LYS n 
1 220 MET n 
1 221 GLU n 
1 222 ILE n 
1 223 PRO n 
1 224 GLY n 
1 225 SER n 
1 226 MET n 
1 227 PRO n 
1 228 PRO n 
1 229 LEU n 
1 230 ILE n 
1 231 GLN n 
1 232 GLU n 
1 233 MET n 
1 234 LEU n 
1 235 GLU n 
2 1   ACE n 
2 2   ALA n 
2 3   HIS n 
2 4   NLE n 
2 5   ILE n 
2 6   LEU n 
2 7   HIS n 
2 8   HRG n 
2 9   LEU n 
2 10  LEU n 
2 11  ALA 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                   235 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'RARA, NR1B1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      
;Escherichia coli 'BL21-Gold(DE3)pLysS AG'
;
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     866768 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
_pdbx_entity_src_syn.entity_id              2 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       11 
_pdbx_entity_src_syn.organism_scientific    'synthetic construct' 
_pdbx_entity_src_syn.organism_common_name   ? 
_pdbx_entity_src_syn.ncbi_taxonomy_id       32630 
_pdbx_entity_src_syn.details                ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ACE non-polymer         . 'ACETYL GROUP'                                                                           ? 'C2 H4 O' 
44.053  
ALA 'L-peptide linking' y ALANINE                                                                                  ? 'C3 H7 N O2' 
89.093  
ARG 'L-peptide linking' y ARGININE                                                                                 ? 
'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                                                                               ? 'C4 H8 N2 O3' 
132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                                                          ? 'C4 H7 N O4' 
133.103 
CYS 'L-peptide linking' y CYSTEINE                                                                                 ? 
'C3 H7 N O2 S'   121.158 
EQN non-polymer         . '4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid' ? 
'C22 H25 N O3'   351.439 
GLN 'L-peptide linking' y GLUTAMINE                                                                                ? 
'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                                                          ? 'C5 H9 N O4' 
147.129 
GLY 'peptide linking'   y GLYCINE                                                                                  ? 'C2 H5 N O2' 
75.067  
HIS 'L-peptide linking' y HISTIDINE                                                                                ? 
'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                                                                                    ? 'H2 O' 18.015 
HRG 'L-peptide linking' n L-HOMOARGININE                                                                           ? 
'C7 H16 N4 O2'   188.228 
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 
NLE 'L-peptide linking' n NORLEUCINE                                                                               ? 'C6 H13 N O2' 
131.173 
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   THR 1   181 181 THR THR A . n 
A 1 2   PRO 2   182 182 PRO PRO A . n 
A 1 3   GLU 3   183 183 GLU GLU A . n 
A 1 4   VAL 4   184 184 VAL VAL A . n 
A 1 5   GLY 5   185 185 GLY GLY A . n 
A 1 6   GLU 6   186 186 GLU GLU A . n 
A 1 7   LEU 7   187 187 LEU LEU A . n 
A 1 8   ILE 8   188 188 ILE ILE A . n 
A 1 9   GLU 9   189 189 GLU GLU A . n 
A 1 10  LYS 10  190 190 LYS LYS A . n 
A 1 11  VAL 11  191 191 VAL VAL A . n 
A 1 12  ARG 12  192 192 ARG ARG A . n 
A 1 13  LYS 13  193 193 LYS LYS A . n 
A 1 14  ALA 14  194 194 ALA ALA A . n 
A 1 15  HIS 15  195 195 HIS HIS A . n 
A 1 16  GLN 16  196 196 GLN GLN A . n 
A 1 17  GLU 17  197 197 GLU GLU A . n 
A 1 18  THR 18  198 198 THR THR A . n 
A 1 19  PHE 19  199 199 PHE PHE A . n 
A 1 20  PRO 20  200 200 PRO PRO A . n 
A 1 21  ALA 21  201 201 ALA ALA A . n 
A 1 22  LEU 22  202 202 LEU LEU A . n 
A 1 23  CYS 23  203 203 CYS CYS A . n 
A 1 24  GLN 24  204 204 GLN GLN A . n 
A 1 25  LEU 25  205 205 LEU LEU A . n 
A 1 26  GLY 26  206 206 GLY GLY A . n 
A 1 27  LYS 27  207 207 LYS LYS A . n 
A 1 28  TYR 28  208 208 TYR TYR A . n 
A 1 29  THR 29  209 209 THR THR A . n 
A 1 30  THR 30  210 210 THR THR A . n 
A 1 31  ASN 31  211 211 ASN ASN A . n 
A 1 32  ASN 32  212 212 ASN ASN A . n 
A 1 33  SER 33  213 213 SER SER A . n 
A 1 34  SER 34  214 214 SER SER A . n 
A 1 35  GLU 35  215 215 GLU GLU A . n 
A 1 36  GLN 36  216 216 GLN GLN A . n 
A 1 37  ARG 37  217 217 ARG ARG A . n 
A 1 38  VAL 38  218 218 VAL VAL A . n 
A 1 39  SER 39  219 219 SER SER A . n 
A 1 40  LEU 40  220 220 LEU LEU A . n 
A 1 41  ASP 41  221 221 ASP ASP A . n 
A 1 42  ILE 42  222 222 ILE ILE A . n 
A 1 43  ASP 43  223 223 ASP ASP A . n 
A 1 44  LEU 44  224 224 LEU LEU A . n 
A 1 45  TRP 45  225 225 TRP TRP A . n 
A 1 46  ASP 46  226 226 ASP ASP A . n 
A 1 47  LYS 47  227 227 LYS LYS A . n 
A 1 48  PHE 48  228 228 PHE PHE A . n 
A 1 49  SER 49  229 229 SER SER A . n 
A 1 50  GLU 50  230 230 GLU GLU A . n 
A 1 51  LEU 51  231 231 LEU LEU A . n 
A 1 52  SER 52  232 232 SER SER A . n 
A 1 53  THR 53  233 233 THR THR A . n 
A 1 54  LYS 54  234 234 LYS LYS A . n 
A 1 55  CYS 55  235 235 CYS CYS A . n 
A 1 56  ILE 56  236 236 ILE ILE A . n 
A 1 57  ILE 57  237 237 ILE ILE A . n 
A 1 58  LYS 58  238 238 LYS LYS A . n 
A 1 59  THR 59  239 239 THR THR A . n 
A 1 60  VAL 60  240 240 VAL VAL A . n 
A 1 61  GLU 61  241 241 GLU GLU A . n 
A 1 62  PHE 62  242 242 PHE PHE A . n 
A 1 63  ALA 63  243 243 ALA ALA A . n 
A 1 64  LYS 64  244 244 LYS LYS A . n 
A 1 65  GLN 65  245 245 GLN GLN A . n 
A 1 66  LEU 66  246 246 LEU LEU A . n 
A 1 67  PRO 67  247 247 PRO PRO A . n 
A 1 68  GLY 68  248 248 GLY GLY A . n 
A 1 69  PHE 69  249 249 PHE PHE A . n 
A 1 70  THR 70  250 250 THR THR A . n 
A 1 71  THR 71  251 251 THR THR A . n 
A 1 72  LEU 72  252 252 LEU LEU A . n 
A 1 73  THR 73  253 253 THR THR A . n 
A 1 74  ILE 74  254 254 ILE ILE A . n 
A 1 75  ALA 75  255 255 ALA ALA A . n 
A 1 76  ASP 76  256 256 ASP ASP A . n 
A 1 77  GLN 77  257 257 GLN GLN A . n 
A 1 78  ILE 78  258 258 ILE ILE A . n 
A 1 79  THR 79  259 259 THR THR A . n 
A 1 80  LEU 80  260 260 LEU LEU A . n 
A 1 81  LEU 81  261 261 LEU LEU A . n 
A 1 82  LYS 82  262 262 LYS LYS A . n 
A 1 83  ALA 83  263 263 ALA ALA A . n 
A 1 84  ALA 84  264 264 ALA ALA A . n 
A 1 85  CYS 85  265 265 CYS CYS A . n 
A 1 86  LEU 86  266 266 LEU LEU A . n 
A 1 87  ASP 87  267 267 ASP ASP A . n 
A 1 88  ILE 88  268 268 ILE ILE A . n 
A 1 89  LEU 89  269 269 LEU LEU A . n 
A 1 90  ILE 90  270 270 ILE ILE A . n 
A 1 91  LEU 91  271 271 LEU LEU A . n 
A 1 92  ARG 92  272 272 ARG ARG A . n 
A 1 93  ILE 93  273 273 ILE ILE A . n 
A 1 94  CYS 94  274 274 CYS CYS A . n 
A 1 95  THR 95  275 275 THR THR A . n 
A 1 96  ARG 96  276 276 ARG ARG A . n 
A 1 97  TYR 97  277 277 TYR TYR A . n 
A 1 98  THR 98  278 278 THR THR A . n 
A 1 99  PRO 99  279 279 PRO PRO A . n 
A 1 100 GLU 100 280 280 GLU GLU A . n 
A 1 101 GLN 101 281 281 GLN GLN A . n 
A 1 102 ASP 102 282 282 ASP ASP A . n 
A 1 103 THR 103 283 283 THR THR A . n 
A 1 104 MET 104 284 284 MET MET A . n 
A 1 105 THR 105 285 285 THR THR A . n 
A 1 106 PHE 106 286 286 PHE PHE A . n 
A 1 107 SER 107 287 287 SER SER A . n 
A 1 108 ASP 108 288 288 ASP ASP A . n 
A 1 109 GLY 109 289 289 GLY GLY A . n 
A 1 110 LEU 110 290 290 LEU LEU A . n 
A 1 111 THR 111 291 291 THR THR A . n 
A 1 112 LEU 112 292 292 LEU LEU A . n 
A 1 113 ASN 113 293 293 ASN ASN A . n 
A 1 114 ARG 114 294 294 ARG ARG A . n 
A 1 115 THR 115 295 295 THR THR A . n 
A 1 116 GLN 116 296 296 GLN GLN A . n 
A 1 117 MET 117 297 297 MET MET A . n 
A 1 118 HIS 118 298 298 HIS HIS A . n 
A 1 119 ASN 119 299 299 ASN ASN A . n 
A 1 120 ALA 120 300 300 ALA ALA A . n 
A 1 121 GLY 121 301 301 GLY GLY A . n 
A 1 122 PHE 122 302 302 PHE PHE A . n 
A 1 123 GLY 123 303 303 GLY GLY A . n 
A 1 124 PRO 124 304 304 PRO PRO A . n 
A 1 125 LEU 125 305 305 LEU LEU A . n 
A 1 126 THR 126 306 306 THR THR A . n 
A 1 127 ASP 127 307 307 ASP ASP A . n 
A 1 128 LEU 128 308 308 LEU LEU A . n 
A 1 129 VAL 129 309 309 VAL VAL A . n 
A 1 130 PHE 130 310 310 PHE PHE A . n 
A 1 131 ALA 131 311 311 ALA ALA A . n 
A 1 132 PHE 132 312 312 PHE PHE A . n 
A 1 133 ALA 133 313 313 ALA ALA A . n 
A 1 134 ASN 134 314 314 ASN ASN A . n 
A 1 135 GLN 135 315 315 GLN GLN A . n 
A 1 136 LEU 136 316 316 LEU LEU A . n 
A 1 137 LEU 137 317 317 LEU LEU A . n 
A 1 138 PRO 138 318 318 PRO PRO A . n 
A 1 139 LEU 139 319 319 LEU LEU A . n 
A 1 140 GLU 140 320 320 GLU GLU A . n 
A 1 141 MET 141 321 321 MET MET A . n 
A 1 142 ASP 142 322 322 ASP ASP A . n 
A 1 143 ASP 143 323 323 ASP ASP A . n 
A 1 144 ALA 144 324 324 ALA ALA A . n 
A 1 145 GLU 145 325 325 GLU GLU A . n 
A 1 146 THR 146 326 326 THR THR A . n 
A 1 147 GLY 147 327 327 GLY GLY A . n 
A 1 148 LEU 148 328 328 LEU LEU A . n 
A 1 149 LEU 149 329 329 LEU LEU A . n 
A 1 150 SER 150 330 330 SER SER A . n 
A 1 151 ALA 151 331 331 ALA ALA A . n 
A 1 152 ILE 152 332 332 ILE ILE A . n 
A 1 153 CYS 153 333 333 CYS CYS A . n 
A 1 154 LEU 154 334 334 LEU LEU A . n 
A 1 155 ILE 155 335 335 ILE ILE A . n 
A 1 156 CYS 156 336 336 CYS CYS A . n 
A 1 157 GLY 157 337 337 GLY GLY A . n 
A 1 158 ASP 158 338 338 ASP ASP A . n 
A 1 159 ARG 159 339 339 ARG ARG A . n 
A 1 160 GLN 160 340 340 GLN GLN A . n 
A 1 161 ASP 161 341 341 ASP ASP A . n 
A 1 162 LEU 162 342 342 LEU LEU A . n 
A 1 163 GLU 163 343 343 GLU GLU A . n 
A 1 164 GLN 164 344 344 GLN GLN A . n 
A 1 165 PRO 165 345 345 PRO PRO A . n 
A 1 166 ASP 166 346 346 ASP ASP A . n 
A 1 167 ARG 167 347 347 ARG ARG A . n 
A 1 168 VAL 168 348 348 VAL VAL A . n 
A 1 169 ASP 169 349 349 ASP ASP A . n 
A 1 170 MET 170 350 350 MET MET A . n 
A 1 171 LEU 171 351 351 LEU LEU A . n 
A 1 172 GLN 172 352 352 GLN GLN A . n 
A 1 173 GLU 173 353 353 GLU GLU A . n 
A 1 174 PRO 174 354 354 PRO PRO A . n 
A 1 175 LEU 175 355 355 LEU LEU A . n 
A 1 176 LEU 176 356 356 LEU LEU A . n 
A 1 177 GLU 177 357 357 GLU GLU A . n 
A 1 178 ALA 178 358 358 ALA ALA A . n 
A 1 179 LEU 179 359 359 LEU LEU A . n 
A 1 180 LYS 180 360 360 LYS LYS A . n 
A 1 181 VAL 181 361 361 VAL VAL A . n 
A 1 182 TYR 182 362 362 TYR TYR A . n 
A 1 183 VAL 183 363 363 VAL VAL A . n 
A 1 184 ARG 184 364 364 ARG ARG A . n 
A 1 185 LYS 185 365 365 LYS LYS A . n 
A 1 186 ARG 186 366 366 ARG ARG A . n 
A 1 187 ARG 187 367 367 ARG ARG A . n 
A 1 188 PRO 188 368 368 PRO PRO A . n 
A 1 189 SER 189 369 369 SER SER A . n 
A 1 190 ARG 190 370 370 ARG ARG A . n 
A 1 191 PRO 191 371 371 PRO PRO A . n 
A 1 192 HIS 192 372 372 HIS HIS A . n 
A 1 193 MET 193 373 373 MET MET A . n 
A 1 194 PHE 194 374 374 PHE PHE A . n 
A 1 195 PRO 195 375 375 PRO PRO A . n 
A 1 196 LYS 196 376 376 LYS LYS A . n 
A 1 197 MET 197 377 377 MET MET A . n 
A 1 198 LEU 198 378 378 LEU LEU A . n 
A 1 199 MET 199 379 379 MET MET A . n 
A 1 200 LYS 200 380 380 LYS LYS A . n 
A 1 201 ILE 201 381 381 ILE ILE A . n 
A 1 202 THR 202 382 382 THR THR A . n 
A 1 203 ASP 203 383 383 ASP ASP A . n 
A 1 204 LEU 204 384 384 LEU LEU A . n 
A 1 205 ARG 205 385 385 ARG ARG A . n 
A 1 206 SER 206 386 386 SER SER A . n 
A 1 207 ILE 207 387 387 ILE ILE A . n 
A 1 208 SER 208 388 388 SER SER A . n 
A 1 209 ALA 209 389 389 ALA ALA A . n 
A 1 210 LYS 210 390 390 LYS LYS A . n 
A 1 211 GLY 211 391 391 GLY GLY A . n 
A 1 212 ALA 212 392 392 ALA ALA A . n 
A 1 213 GLU 213 393 393 GLU GLU A . n 
A 1 214 ARG 214 394 394 ARG ARG A . n 
A 1 215 VAL 215 395 395 VAL VAL A . n 
A 1 216 ILE 216 396 396 ILE ILE A . n 
A 1 217 THR 217 397 397 THR THR A . n 
A 1 218 LEU 218 398 398 LEU LEU A . n 
A 1 219 LYS 219 399 399 LYS LYS A . n 
A 1 220 MET 220 400 400 MET MET A . n 
A 1 221 GLU 221 401 401 GLU GLU A . n 
A 1 222 ILE 222 402 402 ILE ILE A . n 
A 1 223 PRO 223 403 403 PRO PRO A . n 
A 1 224 GLY 224 404 404 GLY GLY A . n 
A 1 225 SER 225 405 405 SER SER A . n 
A 1 226 MET 226 406 406 MET MET A . n 
A 1 227 PRO 227 407 407 PRO PRO A . n 
A 1 228 PRO 228 408 408 PRO PRO A . n 
A 1 229 LEU 229 409 409 LEU LEU A . n 
A 1 230 ILE 230 410 410 ILE ILE A . n 
A 1 231 GLN 231 411 411 GLN GLN A . n 
A 1 232 GLU 232 412 412 GLU GLU A . n 
A 1 233 MET 233 413 413 MET MET A . n 
A 1 234 LEU 234 414 414 LEU LEU A . n 
A 1 235 GLU 235 415 415 GLU GLU A . n 
B 2 1   ACE 1   1   601 ACE MN1 B . n 
B 2 2   ALA 2   2   601 ALA MN1 B . n 
B 2 3   HIS 3   3   601 HIS MN1 B . n 
B 2 4   NLE 4   4   601 NLE MN1 B . n 
B 2 5   ILE 5   5   601 ILE MN1 B . n 
B 2 6   LEU 6   6   601 LEU MN1 B . n 
B 2 7   HIS 7   7   601 HIS MN1 B . n 
B 2 8   HRG 8   8   601 HRG MN1 B . n 
B 2 9   LEU 9   9   601 LEU MN1 B . n 
B 2 10  LEU 10  10  601 LEU MN1 B . n 
B 2 11  ALA 11  11  601 ALA MN1 B . n 
# 
loop_
_pdbx_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 NLE ? ? NLE ? ? 'SUBJECT OF INVESTIGATION' ? 
2 HRG ? ? HRG ? ? 'SUBJECT OF INVESTIGATION' ? 
3 ACE ? ? ACE ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 3 EQN 1   501 501 EQN EQN A . 
D 4 HOH 1   601 52  HOH HOH A . 
D 4 HOH 2   602 37  HOH HOH A . 
D 4 HOH 3   603 93  HOH HOH A . 
D 4 HOH 4   604 77  HOH HOH A . 
D 4 HOH 5   605 83  HOH HOH A . 
D 4 HOH 6   606 53  HOH HOH A . 
D 4 HOH 7   607 211 HOH HOH A . 
D 4 HOH 8   608 201 HOH HOH A . 
D 4 HOH 9   609 74  HOH HOH A . 
D 4 HOH 10  610 137 HOH HOH A . 
D 4 HOH 11  611 8   HOH HOH A . 
D 4 HOH 12  612 122 HOH HOH A . 
D 4 HOH 13  613 142 HOH HOH A . 
D 4 HOH 14  614 5   HOH HOH A . 
D 4 HOH 15  615 33  HOH HOH A . 
D 4 HOH 16  616 221 HOH HOH A . 
D 4 HOH 17  617 29  HOH HOH A . 
D 4 HOH 18  618 213 HOH HOH A . 
D 4 HOH 19  619 123 HOH HOH A . 
D 4 HOH 20  620 17  HOH HOH A . 
D 4 HOH 21  621 91  HOH HOH A . 
D 4 HOH 22  622 11  HOH HOH A . 
D 4 HOH 23  623 4   HOH HOH A . 
D 4 HOH 24  624 67  HOH HOH A . 
D 4 HOH 25  625 78  HOH HOH A . 
D 4 HOH 26  626 138 HOH HOH A . 
D 4 HOH 27  627 170 HOH HOH A . 
D 4 HOH 28  628 145 HOH HOH A . 
D 4 HOH 29  629 163 HOH HOH A . 
D 4 HOH 30  630 15  HOH HOH A . 
D 4 HOH 31  631 34  HOH HOH A . 
D 4 HOH 32  632 16  HOH HOH A . 
D 4 HOH 33  633 103 HOH HOH A . 
D 4 HOH 34  634 10  HOH HOH A . 
D 4 HOH 35  635 32  HOH HOH A . 
D 4 HOH 36  636 88  HOH HOH A . 
D 4 HOH 37  637 63  HOH HOH A . 
D 4 HOH 38  638 198 HOH HOH A . 
D 4 HOH 39  639 230 HOH HOH A . 
D 4 HOH 40  640 72  HOH HOH A . 
D 4 HOH 41  641 89  HOH HOH A . 
D 4 HOH 42  642 215 HOH HOH A . 
D 4 HOH 43  643 22  HOH HOH A . 
D 4 HOH 44  644 64  HOH HOH A . 
D 4 HOH 45  645 24  HOH HOH A . 
D 4 HOH 46  646 20  HOH HOH A . 
D 4 HOH 47  647 1   HOH HOH A . 
D 4 HOH 48  648 51  HOH HOH A . 
D 4 HOH 49  649 41  HOH HOH A . 
D 4 HOH 50  650 82  HOH HOH A . 
D 4 HOH 51  651 224 HOH HOH A . 
D 4 HOH 52  652 119 HOH HOH A . 
D 4 HOH 53  653 28  HOH HOH A . 
D 4 HOH 54  654 2   HOH HOH A . 
D 4 HOH 55  655 73  HOH HOH A . 
D 4 HOH 56  656 30  HOH HOH A . 
D 4 HOH 57  657 12  HOH HOH A . 
D 4 HOH 58  658 214 HOH HOH A . 
D 4 HOH 59  659 146 HOH HOH A . 
D 4 HOH 60  660 68  HOH HOH A . 
D 4 HOH 61  661 115 HOH HOH A . 
D 4 HOH 62  662 204 HOH HOH A . 
D 4 HOH 63  663 229 HOH HOH A . 
D 4 HOH 64  664 43  HOH HOH A . 
D 4 HOH 65  665 47  HOH HOH A . 
D 4 HOH 66  666 216 HOH HOH A . 
D 4 HOH 67  667 56  HOH HOH A . 
D 4 HOH 68  668 25  HOH HOH A . 
D 4 HOH 69  669 206 HOH HOH A . 
D 4 HOH 70  670 202 HOH HOH A . 
D 4 HOH 71  671 3   HOH HOH A . 
D 4 HOH 72  672 59  HOH HOH A . 
D 4 HOH 73  673 127 HOH HOH A . 
D 4 HOH 74  674 54  HOH HOH A . 
D 4 HOH 75  675 118 HOH HOH A . 
D 4 HOH 76  676 156 HOH HOH A . 
D 4 HOH 77  677 21  HOH HOH A . 
D 4 HOH 78  678 66  HOH HOH A . 
D 4 HOH 79  679 321 HOH HOH A . 
D 4 HOH 80  680 133 HOH HOH A . 
D 4 HOH 81  681 55  HOH HOH A . 
D 4 HOH 82  682 166 HOH HOH A . 
D 4 HOH 83  683 222 HOH HOH A . 
D 4 HOH 84  684 35  HOH HOH A . 
D 4 HOH 85  685 120 HOH HOH A . 
D 4 HOH 86  686 110 HOH HOH A . 
D 4 HOH 87  687 7   HOH HOH A . 
D 4 HOH 88  688 27  HOH HOH A . 
D 4 HOH 89  689 217 HOH HOH A . 
D 4 HOH 90  690 6   HOH HOH A . 
D 4 HOH 91  691 60  HOH HOH A . 
D 4 HOH 92  692 189 HOH HOH A . 
D 4 HOH 93  693 107 HOH HOH A . 
D 4 HOH 94  694 179 HOH HOH A . 
D 4 HOH 95  695 209 HOH HOH A . 
D 4 HOH 96  696 39  HOH HOH A . 
D 4 HOH 97  697 155 HOH HOH A . 
D 4 HOH 98  698 26  HOH HOH A . 
D 4 HOH 99  699 136 HOH HOH A . 
D 4 HOH 100 700 81  HOH HOH A . 
D 4 HOH 101 701 40  HOH HOH A . 
D 4 HOH 102 702 218 HOH HOH A . 
D 4 HOH 103 703 61  HOH HOH A . 
D 4 HOH 104 704 79  HOH HOH A . 
D 4 HOH 105 705 100 HOH HOH A . 
D 4 HOH 106 706 70  HOH HOH A . 
D 4 HOH 107 707 109 HOH HOH A . 
D 4 HOH 108 708 208 HOH HOH A . 
D 4 HOH 109 709 85  HOH HOH A . 
D 4 HOH 110 710 18  HOH HOH A . 
D 4 HOH 111 711 9   HOH HOH A . 
D 4 HOH 112 712 14  HOH HOH A . 
D 4 HOH 113 713 168 HOH HOH A . 
D 4 HOH 114 714 169 HOH HOH A . 
D 4 HOH 115 715 71  HOH HOH A . 
D 4 HOH 116 716 128 HOH HOH A . 
D 4 HOH 117 717 225 HOH HOH A . 
D 4 HOH 118 718 112 HOH HOH A . 
D 4 HOH 119 719 13  HOH HOH A . 
D 4 HOH 120 720 219 HOH HOH A . 
D 4 HOH 121 721 111 HOH HOH A . 
D 4 HOH 122 722 161 HOH HOH A . 
D 4 HOH 123 723 23  HOH HOH A . 
D 4 HOH 124 724 19  HOH HOH A . 
D 4 HOH 125 725 125 HOH HOH A . 
D 4 HOH 126 726 182 HOH HOH A . 
D 4 HOH 127 727 207 HOH HOH A . 
D 4 HOH 128 728 49  HOH HOH A . 
D 4 HOH 129 729 116 HOH HOH A . 
D 4 HOH 130 730 226 HOH HOH A . 
D 4 HOH 131 731 205 HOH HOH A . 
D 4 HOH 132 732 95  HOH HOH A . 
D 4 HOH 133 733 139 HOH HOH A . 
D 4 HOH 134 734 228 HOH HOH A . 
D 4 HOH 135 735 46  HOH HOH A . 
D 4 HOH 136 736 38  HOH HOH A . 
D 4 HOH 137 737 80  HOH HOH A . 
D 4 HOH 138 738 143 HOH HOH A . 
D 4 HOH 139 739 132 HOH HOH A . 
D 4 HOH 140 740 190 HOH HOH A . 
D 4 HOH 141 741 188 HOH HOH A . 
D 4 HOH 142 742 36  HOH HOH A . 
D 4 HOH 143 743 106 HOH HOH A . 
D 4 HOH 144 744 181 HOH HOH A . 
D 4 HOH 145 745 212 HOH HOH A . 
D 4 HOH 146 746 160 HOH HOH A . 
D 4 HOH 147 747 129 HOH HOH A . 
D 4 HOH 148 748 62  HOH HOH A . 
D 4 HOH 149 749 117 HOH HOH A . 
D 4 HOH 150 750 45  HOH HOH A . 
D 4 HOH 151 751 227 HOH HOH A . 
D 4 HOH 152 752 223 HOH HOH A . 
D 4 HOH 153 753 220 HOH HOH A . 
D 4 HOH 154 754 203 HOH HOH A . 
D 4 HOH 155 755 149 HOH HOH A . 
D 4 HOH 156 756 158 HOH HOH A . 
D 4 HOH 157 757 153 HOH HOH A . 
D 4 HOH 158 758 210 HOH HOH A . 
E 4 HOH 1   101 113 HOH HOH B . 
E 4 HOH 2   102 200 HOH HOH B . 
E 4 HOH 3   103 99  HOH HOH B . 
E 4 HOH 4   104 199 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A GLU 183 ? CG  ? A GLU 3   CG  
2  1 Y 1 A GLU 183 ? CD  ? A GLU 3   CD  
3  1 Y 1 A GLU 183 ? OE1 ? A GLU 3   OE1 
4  1 Y 1 A GLU 183 ? OE2 ? A GLU 3   OE2 
5  1 Y 1 A GLU 186 ? CG  ? A GLU 6   CG  
6  1 Y 1 A GLU 186 ? CD  ? A GLU 6   CD  
7  1 Y 1 A GLU 186 ? OE1 ? A GLU 6   OE1 
8  1 Y 1 A GLU 186 ? OE2 ? A GLU 6   OE2 
9  1 Y 1 A GLU 280 ? CG  ? A GLU 100 CG  
10 1 Y 1 A GLU 280 ? CD  ? A GLU 100 CD  
11 1 Y 1 A GLU 280 ? OE1 ? A GLU 100 OE1 
12 1 Y 1 A GLU 280 ? OE2 ? A GLU 100 OE2 
13 1 Y 1 A GLN 315 ? CG  ? A GLN 135 CG  
14 1 Y 1 A GLN 315 ? CD  ? A GLN 135 CD  
15 1 Y 1 A GLN 315 ? OE1 ? A GLN 135 OE1 
16 1 Y 1 A GLN 315 ? NE2 ? A GLN 135 NE2 
17 1 Y 1 A ARG 385 ? CG  ? A ARG 205 CG  
18 1 Y 1 A ARG 385 ? CD  ? A ARG 205 CD  
19 1 Y 1 A ARG 385 ? NE  ? A ARG 205 NE  
20 1 Y 1 A ARG 385 ? CZ  ? A ARG 205 CZ  
21 1 Y 1 A ARG 385 ? NH1 ? A ARG 205 NH1 
22 1 Y 1 A ARG 385 ? NH2 ? A ARG 205 NH2 
# 
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       ? ? ? ? ? ? ? ? ? ? ? BUSTER ? ? ? 2.10.4 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .      2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .      3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .      4 
# 
_cell.angle_alpha                  90 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   105.3 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9GFE 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     87.66 
_cell.length_a_esd                 ? 
_cell.length_b                     62.34 
_cell.length_b_esd                 ? 
_cell.length_c                     49.47 
_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                         9GFE 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                5 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'C 1 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9GFE 
_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             2.34 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          47.54 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_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    'PEG 3350 20%, 0.2M Lithium Acetate, 0.05M NH4 Citrate' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            290 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2021-11-20 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.98 
_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                        'SOLEIL BEAMLINE PROXIMA 2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.98 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   'PROXIMA 2' 
_diffrn_source.pdbx_synchrotron_site       SOLEIL 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9GFE 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.58 
_reflns.d_resolution_low                               37.6 
_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                                     33762 
_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                           96.31 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                2.0 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          17.5 
_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                              0.028 
_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                                    1.58 
_reflns_shell.d_res_low                                     1.68 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             5222 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.5313 
_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]                            4.3032 
_refine.aniso_B[1][2]                            0 
_refine.aniso_B[1][3]                            1.6386 
_refine.aniso_B[2][2]                            -7.4334 
_refine.aniso_B[2][3]                            0 
_refine.aniso_B[3][3]                            3.1302 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               30.79 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.95 
_refine.correlation_coeff_Fo_to_Fc_free          0.947 
_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                                 9GFE 
_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                            1.583 
_refine.ls_d_res_low                             28.17 
_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                     33762 
_refine.ls_number_reflns_R_free                  1996 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    96.3 
_refine.ls_percent_reflns_R_free                 ? 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2057 
_refine.ls_R_factor_R_free                       0.2291 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2042 
_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                    ? 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             ? 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             ? 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   0.092 
_refine.pdbx_overall_SU_R_free_Blow_DPI          0.093 
_refine.pdbx_overall_SU_R_Blow_DPI               0.097 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            ? 
_refine.overall_SU_R_Cruickshank_DPI             0.095 
_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_analyze.entry_id                        9GFE 
_refine_analyze.pdbx_refine_id                  'X-RAY DIFFRACTION' 
_refine_analyze.Luzzati_coordinate_error_free   ? 
_refine_analyze.Luzzati_coordinate_error_obs    0.22 
_refine_analyze.Luzzati_d_res_low_free          ? 
_refine_analyze.Luzzati_d_res_low_obs           ? 
_refine_analyze.Luzzati_sigma_a_free            ? 
_refine_analyze.Luzzati_sigma_a_free_details    ? 
_refine_analyze.Luzzati_sigma_a_obs             ? 
_refine_analyze.Luzzati_sigma_a_obs_details     ? 
_refine_analyze.number_disordered_residues      ? 
_refine_analyze.occupancy_sum_hydrogen          ? 
_refine_analyze.occupancy_sum_non_hydrogen      ? 
_refine_analyze.RG_d_res_high                   ? 
_refine_analyze.RG_d_res_low                    ? 
_refine_analyze.RG_free                         ? 
_refine_analyze.RG_work                         ? 
_refine_analyze.RG_free_work_ratio              ? 
_refine_analyze.pdbx_Luzzati_d_res_high_obs     ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.583 
_refine_hist.d_res_low                        28.17 
_refine_hist.number_atoms_solvent             162 
_refine_hist.number_atoms_total               2106 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1832 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         112 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.01  ? 2017 ? t_bond_d                  2  HARMONIC     
'X-RAY DIFFRACTION' ? 1.02  ? 2745 ? t_angle_deg               2  HARMONIC     
'X-RAY DIFFRACTION' ? ?     ? 759  ? t_dihedral_angle_d        2  SINUSOIDAL   
'X-RAY DIFFRACTION' ? ?     ? 358  ? t_gen_planes              5  HARMONIC     
'X-RAY DIFFRACTION' ? ?     ? 2017 ? t_it                      10 HARMONIC     
'X-RAY DIFFRACTION' ? ?     ? 277  ? t_chiral_improper_torsion 5  SEMIHARMONIC 
'X-RAY DIFFRACTION' ? ?     ? 2036 ? t_ideal_dist_contact      4  SEMIHARMONIC 
'X-RAY DIFFRACTION' ? 3     ? ?    ? t_omega_torsion           ?  ?            
'X-RAY DIFFRACTION' ? 15.18 ? ?    ? t_other_torsion           ?  ?            
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.583 
_refine_ls_shell.d_res_low                        1.6 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             40 
_refine_ls_shell.number_reflns_R_work             ? 
_refine_ls_shell.percent_reflns_obs               67.85 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.R_factor_R_work                  0.366 
_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                  0.4008 
# 
_struct.entry_id                     9GFE 
_struct.title                        'hRAR LBD protein in complex with AM580 agonist ligand and a stapled peptide' 
_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        9GFE 
_struct_keywords.text            'hRAR LBD protein, complex, stapled peptide, TRANSCRIPTION' 
_struct_keywords.pdbx_keywords   TRANSCRIPTION 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 4 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP RARA_HUMAN P10276 ? 1 
;TPEVGELIEKVRKAHQETFPALCQLGKYTTNNSSEQRVSLDIDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITL
LKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQLLPLEMDDAETGLLSAICLICGDRQ
DLEQPDRVDMLQEPLLEALKVYVRKRRPSRPHMFPKMLMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLE
;
181 
2 PDB 9GFE       9GFE   ? 2 ? 1   
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9GFE A 1 ? 235 ? P10276 181 ? 415 ? 181 415 
2 2 9GFE B 1 ? 11  ? 9GFE   1   ? 11  ? 1   11  
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 1130  ? 
1 MORE         -9    ? 
1 'SSA (A^2)'  11190 ? 
# 
_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 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'NMR Distance Restraints' 
_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 GLU A 3   ? GLU A 17  ? GLU A 183 GLU A 197 1 ? 15 
HELX_P HELX_P2  AA2 ALA A 21  ? LEU A 25  ? ALA A 201 LEU A 205 5 ? 5  
HELX_P HELX_P3  AA3 ASP A 41  ? GLN A 65  ? ASP A 221 GLN A 245 1 ? 25 
HELX_P HELX_P4  AA4 GLY A 68  ? LEU A 72  ? GLY A 248 LEU A 252 5 ? 5  
HELX_P HELX_P5  AA5 THR A 73  ? ARG A 96  ? THR A 253 ARG A 276 1 ? 24 
HELX_P HELX_P6  AA6 ARG A 114 ? GLY A 121 ? ARG A 294 GLY A 301 1 ? 8  
HELX_P HELX_P7  AA7 PHE A 122 ? PRO A 124 ? PHE A 302 PRO A 304 5 ? 3  
HELX_P HELX_P8  AA8 LEU A 125 ? LEU A 137 ? LEU A 305 LEU A 317 1 ? 13 
HELX_P HELX_P9  AA9 PRO A 138 ? GLU A 140 ? PRO A 318 GLU A 320 5 ? 3  
HELX_P HELX_P10 AB1 ASP A 142 ? ILE A 155 ? ASP A 322 ILE A 335 1 ? 14 
HELX_P HELX_P11 AB2 GLN A 164 ? ARG A 187 ? GLN A 344 ARG A 367 1 ? 24 
HELX_P HELX_P12 AB3 HIS A 192 ? ILE A 222 ? HIS A 372 ILE A 402 1 ? 31 
HELX_P HELX_P13 AB4 PRO A 227 ? GLU A 235 ? PRO A 407 GLU A 415 1 ? 9  
HELX_P HELX_P14 AB5 HIS B 3   ? ALA B 11  ? HIS B 3   ALA B 11  1 ? 9  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
covale1 covale both ? B ACE 1 C  ? ? ? 1_555 B ALA 2 N   ? ? B ACE 1 B ALA 2 1_555 ? ? ? ? ? ? ? 1.366 ? ? 
covale2 covale both ? B HIS 3 C  ? ? ? 1_555 B NLE 4 N   ? ? B HIS 3 B NLE 4 1_555 ? ? ? ? ? ? ? 1.337 ? ? 
covale3 covale both ? B NLE 4 C  ? ? ? 1_555 B ILE 5 N   ? ? B NLE 4 B ILE 5 1_555 ? ? ? ? ? ? ? 1.340 ? ? 
covale4 covale none ? B NLE 4 CE ? ? ? 1_555 B HRG 8 NH1 ? ? B NLE 4 B HRG 8 1_555 ? ? ? ? ? ? ? 1.457 ? ? 
covale5 covale both ? B HIS 7 C  ? ? ? 1_555 B HRG 8 N   ? ? B HIS 7 B HRG 8 1_555 ? ? ? ? ? ? ? 1.360 ? ? 
covale6 covale both ? B HRG 8 C  ? ? ? 1_555 B LEU 9 N   ? ? B HRG 8 B LEU 9 1_555 ? ? ? ? ? ? ? 1.339 ? ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 NLE B 4 ? .   . . . NLE B 4 ? 1_555 .   . . . .     .  .   LEU 1 NLE Norleucine 'Named protein modification' 
2 HRG B 8 ? .   . . . HRG B 8 ? 1_555 .   . . . .     .  .   ?   1 HRG None       'Non-standard residue'       
3 ACE B 1 ? ALA B 2 ? ACE B 1 ? 1_555 ALA B 2 ? 1_555 .  .   ALA 1 ACE None       'Terminal acetylation'       
4 NLE B 4 ? HRG B 8 ? NLE B 4 ? 1_555 HRG B 8 ? 1_555 CE NH1 .   . .   None       'Non-standard linkage'       
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   3 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
# 
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 TYR A 97  ? THR A 98  ? TYR A 277 THR A 278 
AA1 2 THR A 103 ? THR A 105 ? THR A 283 THR A 285 
AA1 3 THR A 111 ? ASN A 113 ? THR A 291 ASN A 293 
# 
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 98  ? N THR A 278 O THR A 103 ? O THR A 283 
AA1 2 3 N MET A 104 ? N MET A 284 O LEU A 112 ? O LEU A 292 
# 
_pdbx_entry_details.entry_id                   9GFE 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     698 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     698 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   2_554 
_pdbx_validate_symm_contact.dist              1.17 
# 
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 SER A 213 ? ? 37.85  40.38 
2 1 ARG A 276 ? ? -98.92 44.90 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     660 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   D 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ACE C      C N N 1   
ACE O      O N N 2   
ACE CH3    C N N 3   
ACE H      H N N 4   
ACE H1     H N N 5   
ACE H2     H N N 6   
ACE H3     H N N 7   
ALA N      N N N 8   
ALA CA     C N S 9   
ALA C      C N N 10  
ALA O      O N N 11  
ALA CB     C N N 12  
ALA OXT    O N N 13  
ALA H      H N N 14  
ALA H2     H N N 15  
ALA HA     H N N 16  
ALA HB1    H N N 17  
ALA HB2    H N N 18  
ALA HB3    H N N 19  
ALA HXT    H N N 20  
ARG N      N N N 21  
ARG CA     C N S 22  
ARG C      C N N 23  
ARG O      O N N 24  
ARG CB     C N N 25  
ARG CG     C N N 26  
ARG CD     C N N 27  
ARG NE     N N N 28  
ARG CZ     C N N 29  
ARG NH1    N N N 30  
ARG NH2    N N N 31  
ARG OXT    O N N 32  
ARG H      H N N 33  
ARG H2     H N N 34  
ARG HA     H N N 35  
ARG HB2    H N N 36  
ARG HB3    H N N 37  
ARG HG2    H N N 38  
ARG HG3    H N N 39  
ARG HD2    H N N 40  
ARG HD3    H N N 41  
ARG HE     H N N 42  
ARG HH11   H N N 43  
ARG HH12   H N N 44  
ARG HH21   H N N 45  
ARG HH22   H N N 46  
ARG HXT    H N N 47  
ASN N      N N N 48  
ASN CA     C N S 49  
ASN C      C N N 50  
ASN O      O N N 51  
ASN CB     C N N 52  
ASN CG     C N N 53  
ASN OD1    O N N 54  
ASN ND2    N N N 55  
ASN OXT    O N N 56  
ASN H      H N N 57  
ASN H2     H N N 58  
ASN HA     H N N 59  
ASN HB2    H N N 60  
ASN HB3    H N N 61  
ASN HD21   H N N 62  
ASN HD22   H N N 63  
ASN HXT    H N N 64  
ASP N      N N N 65  
ASP CA     C N S 66  
ASP C      C N N 67  
ASP O      O N N 68  
ASP CB     C N N 69  
ASP CG     C N N 70  
ASP OD1    O N N 71  
ASP OD2    O N N 72  
ASP OXT    O N N 73  
ASP H      H N N 74  
ASP H2     H N N 75  
ASP HA     H N N 76  
ASP HB2    H N N 77  
ASP HB3    H N N 78  
ASP HD2    H N N 79  
ASP HXT    H N N 80  
CYS N      N N N 81  
CYS CA     C N R 82  
CYS C      C N N 83  
CYS O      O N N 84  
CYS CB     C N N 85  
CYS SG     S N N 86  
CYS OXT    O N N 87  
CYS H      H N N 88  
CYS H2     H N N 89  
CYS HA     H N N 90  
CYS HB2    H N N 91  
CYS HB3    H N N 92  
CYS HG     H N N 93  
CYS HXT    H N N 94  
EQN CAA    C N N 95  
EQN CAB    C N N 96  
EQN CAC    C N N 97  
EQN CAD    C N N 98  
EQN OAE    O N N 99  
EQN OAF    O N N 100 
EQN OAG    O N N 101 
EQN CAH    C Y N 102 
EQN CAI    C Y N 103 
EQN CAJ    C Y N 104 
EQN CAK    C Y N 105 
EQN CAL    C Y N 106 
EQN CAM    C Y N 107 
EQN CAN    C Y N 108 
EQN CAO    C N N 109 
EQN CAP    C N N 110 
EQN NAQ    N N N 111 
EQN CAR    C N N 112 
EQN CAS    C N N 113 
EQN CAT    C Y N 114 
EQN CAU    C Y N 115 
EQN CAV    C Y N 116 
EQN CAW    C Y N 117 
EQN CAX    C Y N 118 
EQN CAY    C N N 119 
EQN CAZ    C N N 120 
EQN HAA    H N N 121 
EQN HAAA   H N N 122 
EQN HAAB   H N N 123 
EQN HAB    H N N 124 
EQN HABA   H N N 125 
EQN HABB   H N N 126 
EQN HAC    H N N 127 
EQN HACA   H N N 128 
EQN HACB   H N N 129 
EQN HAD    H N N 130 
EQN HADA   H N N 131 
EQN HADB   H N N 132 
EQN HAH    H N N 133 
EQN HAI    H N N 134 
EQN HAJ    H N N 135 
EQN HAK    H N N 136 
EQN HAL    H N N 137 
EQN HAM    H N N 138 
EQN HAN    H N N 139 
EQN HAO    H N N 140 
EQN HAOA   H N N 141 
EQN HAP    H N N 142 
EQN HAPA   H N N 143 
EQN HNAQ   H N N 144 
EQN H25    H N N 145 
GLN N      N N N 146 
GLN CA     C N S 147 
GLN C      C N N 148 
GLN O      O N N 149 
GLN CB     C N N 150 
GLN CG     C N N 151 
GLN CD     C N N 152 
GLN OE1    O N N 153 
GLN NE2    N N N 154 
GLN OXT    O N N 155 
GLN H      H N N 156 
GLN H2     H N N 157 
GLN HA     H N N 158 
GLN HB2    H N N 159 
GLN HB3    H N N 160 
GLN HG2    H N N 161 
GLN HG3    H N N 162 
GLN HE21   H N N 163 
GLN HE22   H N N 164 
GLN HXT    H N N 165 
GLU N      N N N 166 
GLU CA     C N S 167 
GLU C      C N N 168 
GLU O      O N N 169 
GLU CB     C N N 170 
GLU CG     C N N 171 
GLU CD     C N N 172 
GLU OE1    O N N 173 
GLU OE2    O N N 174 
GLU OXT    O N N 175 
GLU H      H N N 176 
GLU H2     H N N 177 
GLU HA     H N N 178 
GLU HB2    H N N 179 
GLU HB3    H N N 180 
GLU HG2    H N N 181 
GLU HG3    H N N 182 
GLU HE2    H N N 183 
GLU HXT    H N N 184 
GLY N      N N N 185 
GLY CA     C N N 186 
GLY C      C N N 187 
GLY O      O N N 188 
GLY OXT    O N N 189 
GLY H      H N N 190 
GLY H2     H N N 191 
GLY HA2    H N N 192 
GLY HA3    H N N 193 
GLY HXT    H N N 194 
HIS N      N N N 195 
HIS CA     C N S 196 
HIS C      C N N 197 
HIS O      O N N 198 
HIS CB     C N N 199 
HIS CG     C Y N 200 
HIS ND1    N Y N 201 
HIS CD2    C Y N 202 
HIS CE1    C Y N 203 
HIS NE2    N Y N 204 
HIS OXT    O N N 205 
HIS H      H N N 206 
HIS H2     H N N 207 
HIS HA     H N N 208 
HIS HB2    H N N 209 
HIS HB3    H N N 210 
HIS HD1    H N N 211 
HIS HD2    H N N 212 
HIS HE1    H N N 213 
HIS HE2    H N N 214 
HIS HXT    H N N 215 
HOH O      O N N 216 
HOH H1     H N N 217 
HOH H2     H N N 218 
HRG N      N N N 219 
HRG CA     C N S 220 
HRG CB     C N N 221 
HRG CG     C N N 222 
HRG "CG'"  C N N 223 
HRG CD     C N N 224 
HRG NE     N N N 225 
HRG CZ     C N N 226 
HRG NH1    N N N 227 
HRG NH2    N N N 228 
HRG C      C N N 229 
HRG O      O N N 230 
HRG OXT    O N N 231 
HRG H      H N N 232 
HRG H2     H N N 233 
HRG HA     H N N 234 
HRG HB1    H N N 235 
HRG HB2    H N N 236 
HRG HG1    H N N 237 
HRG HG2    H N N 238 
HRG "HG'1" H N N 239 
HRG "HG'2" H N N 240 
HRG HD1    H N N 241 
HRG HD2    H N N 242 
HRG HNE    H N N 243 
HRG HN1    H N N 244 
HRG HN21   H N N 245 
HRG HN22   H N N 246 
HRG HXT    H N N 247 
ILE N      N N N 248 
ILE CA     C N S 249 
ILE C      C N N 250 
ILE O      O N N 251 
ILE CB     C N S 252 
ILE CG1    C N N 253 
ILE CG2    C N N 254 
ILE CD1    C N N 255 
ILE OXT    O N N 256 
ILE H      H N N 257 
ILE H2     H N N 258 
ILE HA     H N N 259 
ILE HB     H N N 260 
ILE HG12   H N N 261 
ILE HG13   H N N 262 
ILE HG21   H N N 263 
ILE HG22   H N N 264 
ILE HG23   H N N 265 
ILE HD11   H N N 266 
ILE HD12   H N N 267 
ILE HD13   H N N 268 
ILE HXT    H N N 269 
LEU N      N N N 270 
LEU CA     C N S 271 
LEU C      C N N 272 
LEU O      O N N 273 
LEU CB     C N N 274 
LEU CG     C N N 275 
LEU CD1    C N N 276 
LEU CD2    C N N 277 
LEU OXT    O N N 278 
LEU H      H N N 279 
LEU H2     H N N 280 
LEU HA     H N N 281 
LEU HB2    H N N 282 
LEU HB3    H N N 283 
LEU HG     H N N 284 
LEU HD11   H N N 285 
LEU HD12   H N N 286 
LEU HD13   H N N 287 
LEU HD21   H N N 288 
LEU HD22   H N N 289 
LEU HD23   H N N 290 
LEU HXT    H N N 291 
LYS N      N N N 292 
LYS CA     C N S 293 
LYS C      C N N 294 
LYS O      O N N 295 
LYS CB     C N N 296 
LYS CG     C N N 297 
LYS CD     C N N 298 
LYS CE     C N N 299 
LYS NZ     N N N 300 
LYS OXT    O N N 301 
LYS H      H N N 302 
LYS H2     H N N 303 
LYS HA     H N N 304 
LYS HB2    H N N 305 
LYS HB3    H N N 306 
LYS HG2    H N N 307 
LYS HG3    H N N 308 
LYS HD2    H N N 309 
LYS HD3    H N N 310 
LYS HE2    H N N 311 
LYS HE3    H N N 312 
LYS HZ1    H N N 313 
LYS HZ2    H N N 314 
LYS HZ3    H N N 315 
LYS HXT    H N N 316 
MET N      N N N 317 
MET CA     C N S 318 
MET C      C N N 319 
MET O      O N N 320 
MET CB     C N N 321 
MET CG     C N N 322 
MET SD     S N N 323 
MET CE     C N N 324 
MET OXT    O N N 325 
MET H      H N N 326 
MET H2     H N N 327 
MET HA     H N N 328 
MET HB2    H N N 329 
MET HB3    H N N 330 
MET HG2    H N N 331 
MET HG3    H N N 332 
MET HE1    H N N 333 
MET HE2    H N N 334 
MET HE3    H N N 335 
MET HXT    H N N 336 
NLE N      N N N 337 
NLE CA     C N S 338 
NLE C      C N N 339 
NLE O      O N N 340 
NLE OXT    O N N 341 
NLE CB     C N N 342 
NLE CG     C N N 343 
NLE CD     C N N 344 
NLE CE     C N N 345 
NLE H      H N N 346 
NLE H2     H N N 347 
NLE HA     H N N 348 
NLE HXT    H N N 349 
NLE HB2    H N N 350 
NLE HB3    H N N 351 
NLE HG2    H N N 352 
NLE HG3    H N N 353 
NLE HD2    H N N 354 
NLE HD3    H N N 355 
NLE HE1    H N N 356 
NLE HE2    H N N 357 
NLE HE3    H N N 358 
PHE N      N N N 359 
PHE CA     C N S 360 
PHE C      C N N 361 
PHE O      O N N 362 
PHE CB     C N N 363 
PHE CG     C Y N 364 
PHE CD1    C Y N 365 
PHE CD2    C Y N 366 
PHE CE1    C Y N 367 
PHE CE2    C Y N 368 
PHE CZ     C Y N 369 
PHE OXT    O N N 370 
PHE H      H N N 371 
PHE H2     H N N 372 
PHE HA     H N N 373 
PHE HB2    H N N 374 
PHE HB3    H N N 375 
PHE HD1    H N N 376 
PHE HD2    H N N 377 
PHE HE1    H N N 378 
PHE HE2    H N N 379 
PHE HZ     H N N 380 
PHE HXT    H N N 381 
PRO N      N N N 382 
PRO CA     C N S 383 
PRO C      C N N 384 
PRO O      O N N 385 
PRO CB     C N N 386 
PRO CG     C N N 387 
PRO CD     C N N 388 
PRO OXT    O N N 389 
PRO H      H N N 390 
PRO HA     H N N 391 
PRO HB2    H N N 392 
PRO HB3    H N N 393 
PRO HG2    H N N 394 
PRO HG3    H N N 395 
PRO HD2    H N N 396 
PRO HD3    H N N 397 
PRO HXT    H N N 398 
SER N      N N N 399 
SER CA     C N S 400 
SER C      C N N 401 
SER O      O N N 402 
SER CB     C N N 403 
SER OG     O N N 404 
SER OXT    O N N 405 
SER H      H N N 406 
SER H2     H N N 407 
SER HA     H N N 408 
SER HB2    H N N 409 
SER HB3    H N N 410 
SER HG     H N N 411 
SER HXT    H N N 412 
THR N      N N N 413 
THR CA     C N S 414 
THR C      C N N 415 
THR O      O N N 416 
THR CB     C N R 417 
THR OG1    O N N 418 
THR CG2    C N N 419 
THR OXT    O N N 420 
THR H      H N N 421 
THR H2     H N N 422 
THR HA     H N N 423 
THR HB     H N N 424 
THR HG1    H N N 425 
THR HG21   H N N 426 
THR HG22   H N N 427 
THR HG23   H N N 428 
THR HXT    H N N 429 
TRP N      N N N 430 
TRP CA     C N S 431 
TRP C      C N N 432 
TRP O      O N N 433 
TRP CB     C N N 434 
TRP CG     C Y N 435 
TRP CD1    C Y N 436 
TRP CD2    C Y N 437 
TRP NE1    N Y N 438 
TRP CE2    C Y N 439 
TRP CE3    C Y N 440 
TRP CZ2    C Y N 441 
TRP CZ3    C Y N 442 
TRP CH2    C Y N 443 
TRP OXT    O N N 444 
TRP H      H N N 445 
TRP H2     H N N 446 
TRP HA     H N N 447 
TRP HB2    H N N 448 
TRP HB3    H N N 449 
TRP HD1    H N N 450 
TRP HE1    H N N 451 
TRP HE3    H N N 452 
TRP HZ2    H N N 453 
TRP HZ3    H N N 454 
TRP HH2    H N N 455 
TRP HXT    H N N 456 
TYR N      N N N 457 
TYR CA     C N S 458 
TYR C      C N N 459 
TYR O      O N N 460 
TYR CB     C N N 461 
TYR CG     C Y N 462 
TYR CD1    C Y N 463 
TYR CD2    C Y N 464 
TYR CE1    C Y N 465 
TYR CE2    C Y N 466 
TYR CZ     C Y N 467 
TYR OH     O N N 468 
TYR OXT    O N N 469 
TYR H      H N N 470 
TYR H2     H N N 471 
TYR HA     H N N 472 
TYR HB2    H N N 473 
TYR HB3    H N N 474 
TYR HD1    H N N 475 
TYR HD2    H N N 476 
TYR HE1    H N N 477 
TYR HE2    H N N 478 
TYR HH     H N N 479 
TYR HXT    H N N 480 
VAL N      N N N 481 
VAL CA     C N S 482 
VAL C      C N N 483 
VAL O      O N N 484 
VAL CB     C N N 485 
VAL CG1    C N N 486 
VAL CG2    C N N 487 
VAL OXT    O N N 488 
VAL H      H N N 489 
VAL H2     H N N 490 
VAL HA     H N N 491 
VAL HB     H N N 492 
VAL HG11   H N N 493 
VAL HG12   H N N 494 
VAL HG13   H N N 495 
VAL HG21   H N N 496 
VAL HG22   H N N 497 
VAL HG23   H N N 498 
VAL HXT    H N N 499 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ACE C     O      doub N N 1   
ACE C     CH3    sing N N 2   
ACE C     H      sing N N 3   
ACE CH3   H1     sing N N 4   
ACE CH3   H2     sing N N 5   
ACE CH3   H3     sing N N 6   
ALA N     CA     sing N N 7   
ALA N     H      sing N N 8   
ALA N     H2     sing N N 9   
ALA CA    C      sing N N 10  
ALA CA    CB     sing N N 11  
ALA CA    HA     sing N N 12  
ALA C     O      doub N N 13  
ALA C     OXT    sing N N 14  
ALA CB    HB1    sing N N 15  
ALA CB    HB2    sing N N 16  
ALA CB    HB3    sing N N 17  
ALA OXT   HXT    sing N N 18  
ARG N     CA     sing N N 19  
ARG N     H      sing N N 20  
ARG N     H2     sing N N 21  
ARG CA    C      sing N N 22  
ARG CA    CB     sing N N 23  
ARG CA    HA     sing N N 24  
ARG C     O      doub N N 25  
ARG C     OXT    sing N N 26  
ARG CB    CG     sing N N 27  
ARG CB    HB2    sing N N 28  
ARG CB    HB3    sing N N 29  
ARG CG    CD     sing N N 30  
ARG CG    HG2    sing N N 31  
ARG CG    HG3    sing N N 32  
ARG CD    NE     sing N N 33  
ARG CD    HD2    sing N N 34  
ARG CD    HD3    sing N N 35  
ARG NE    CZ     sing N N 36  
ARG NE    HE     sing N N 37  
ARG CZ    NH1    sing N N 38  
ARG CZ    NH2    doub N N 39  
ARG NH1   HH11   sing N N 40  
ARG NH1   HH12   sing N N 41  
ARG NH2   HH21   sing N N 42  
ARG NH2   HH22   sing N N 43  
ARG OXT   HXT    sing N N 44  
ASN N     CA     sing N N 45  
ASN N     H      sing N N 46  
ASN N     H2     sing N N 47  
ASN CA    C      sing N N 48  
ASN CA    CB     sing N N 49  
ASN CA    HA     sing N N 50  
ASN C     O      doub N N 51  
ASN C     OXT    sing N N 52  
ASN CB    CG     sing N N 53  
ASN CB    HB2    sing N N 54  
ASN CB    HB3    sing N N 55  
ASN CG    OD1    doub N N 56  
ASN CG    ND2    sing N N 57  
ASN ND2   HD21   sing N N 58  
ASN ND2   HD22   sing N N 59  
ASN OXT   HXT    sing N N 60  
ASP N     CA     sing N N 61  
ASP N     H      sing N N 62  
ASP N     H2     sing N N 63  
ASP CA    C      sing N N 64  
ASP CA    CB     sing N N 65  
ASP CA    HA     sing N N 66  
ASP C     O      doub N N 67  
ASP C     OXT    sing N N 68  
ASP CB    CG     sing N N 69  
ASP CB    HB2    sing N N 70  
ASP CB    HB3    sing N N 71  
ASP CG    OD1    doub N N 72  
ASP CG    OD2    sing N N 73  
ASP OD2   HD2    sing N N 74  
ASP OXT   HXT    sing N N 75  
CYS N     CA     sing N N 76  
CYS N     H      sing N N 77  
CYS N     H2     sing N N 78  
CYS CA    C      sing N N 79  
CYS CA    CB     sing N N 80  
CYS CA    HA     sing N N 81  
CYS C     O      doub N N 82  
CYS C     OXT    sing N N 83  
CYS CB    SG     sing N N 84  
CYS CB    HB2    sing N N 85  
CYS CB    HB3    sing N N 86  
CYS SG    HG     sing N N 87  
CYS OXT   HXT    sing N N 88  
EQN CAA   CAY    sing N N 89  
EQN CAA   HAA    sing N N 90  
EQN CAA   HAAA   sing N N 91  
EQN CAA   HAAB   sing N N 92  
EQN CAB   CAY    sing N N 93  
EQN CAB   HAB    sing N N 94  
EQN CAB   HABA   sing N N 95  
EQN CAB   HABB   sing N N 96  
EQN CAC   CAZ    sing N N 97  
EQN CAC   HAC    sing N N 98  
EQN CAC   HACA   sing N N 99  
EQN CAC   HACB   sing N N 100 
EQN CAD   CAZ    sing N N 101 
EQN CAD   HAD    sing N N 102 
EQN CAD   HADA   sing N N 103 
EQN CAD   HADB   sing N N 104 
EQN OAE   CAR    doub N N 105 
EQN OAF   CAS    doub N N 106 
EQN OAG   CAR    sing N N 107 
EQN CAH   CAJ    doub Y N 108 
EQN CAH   CAT    sing Y N 109 
EQN CAH   HAH    sing N N 110 
EQN CAI   CAK    sing Y N 111 
EQN CAI   CAT    doub Y N 112 
EQN CAI   HAI    sing N N 113 
EQN CAJ   CAU    sing Y N 114 
EQN CAJ   HAJ    sing N N 115 
EQN CAK   CAU    doub Y N 116 
EQN CAK   HAK    sing N N 117 
EQN CAL   CAM    doub Y N 118 
EQN CAL   CAV    sing Y N 119 
EQN CAL   HAL    sing N N 120 
EQN CAM   CAW    sing Y N 121 
EQN CAM   HAM    sing N N 122 
EQN CAN   CAV    doub Y N 123 
EQN CAN   CAX    sing Y N 124 
EQN CAN   HAN    sing N N 125 
EQN CAO   CAP    sing N N 126 
EQN CAO   CAY    sing N N 127 
EQN CAO   HAO    sing N N 128 
EQN CAO   HAOA   sing N N 129 
EQN CAP   CAZ    sing N N 130 
EQN CAP   HAP    sing N N 131 
EQN CAP   HAPA   sing N N 132 
EQN NAQ   CAS    sing N N 133 
EQN NAQ   CAT    sing N N 134 
EQN NAQ   HNAQ   sing N N 135 
EQN CAR   CAU    sing N N 136 
EQN CAS   CAV    sing N N 137 
EQN CAW   CAX    doub Y N 138 
EQN CAW   CAZ    sing N N 139 
EQN CAX   CAY    sing N N 140 
EQN OAG   H25    sing N N 141 
GLN N     CA     sing N N 142 
GLN N     H      sing N N 143 
GLN N     H2     sing N N 144 
GLN CA    C      sing N N 145 
GLN CA    CB     sing N N 146 
GLN CA    HA     sing N N 147 
GLN C     O      doub N N 148 
GLN C     OXT    sing N N 149 
GLN CB    CG     sing N N 150 
GLN CB    HB2    sing N N 151 
GLN CB    HB3    sing N N 152 
GLN CG    CD     sing N N 153 
GLN CG    HG2    sing N N 154 
GLN CG    HG3    sing N N 155 
GLN CD    OE1    doub N N 156 
GLN CD    NE2    sing N N 157 
GLN NE2   HE21   sing N N 158 
GLN NE2   HE22   sing N N 159 
GLN OXT   HXT    sing N N 160 
GLU N     CA     sing N N 161 
GLU N     H      sing N N 162 
GLU N     H2     sing N N 163 
GLU CA    C      sing N N 164 
GLU CA    CB     sing N N 165 
GLU CA    HA     sing N N 166 
GLU C     O      doub N N 167 
GLU C     OXT    sing N N 168 
GLU CB    CG     sing N N 169 
GLU CB    HB2    sing N N 170 
GLU CB    HB3    sing N N 171 
GLU CG    CD     sing N N 172 
GLU CG    HG2    sing N N 173 
GLU CG    HG3    sing N N 174 
GLU CD    OE1    doub N N 175 
GLU CD    OE2    sing N N 176 
GLU OE2   HE2    sing N N 177 
GLU OXT   HXT    sing N N 178 
GLY N     CA     sing N N 179 
GLY N     H      sing N N 180 
GLY N     H2     sing N N 181 
GLY CA    C      sing N N 182 
GLY CA    HA2    sing N N 183 
GLY CA    HA3    sing N N 184 
GLY C     O      doub N N 185 
GLY C     OXT    sing N N 186 
GLY OXT   HXT    sing N N 187 
HIS N     CA     sing N N 188 
HIS N     H      sing N N 189 
HIS N     H2     sing N N 190 
HIS CA    C      sing N N 191 
HIS CA    CB     sing N N 192 
HIS CA    HA     sing N N 193 
HIS C     O      doub N N 194 
HIS C     OXT    sing N N 195 
HIS CB    CG     sing N N 196 
HIS CB    HB2    sing N N 197 
HIS CB    HB3    sing N N 198 
HIS CG    ND1    sing Y N 199 
HIS CG    CD2    doub Y N 200 
HIS ND1   CE1    doub Y N 201 
HIS ND1   HD1    sing N N 202 
HIS CD2   NE2    sing Y N 203 
HIS CD2   HD2    sing N N 204 
HIS CE1   NE2    sing Y N 205 
HIS CE1   HE1    sing N N 206 
HIS NE2   HE2    sing N N 207 
HIS OXT   HXT    sing N N 208 
HOH O     H1     sing N N 209 
HOH O     H2     sing N N 210 
HRG N     CA     sing N N 211 
HRG N     H      sing N N 212 
HRG N     H2     sing N N 213 
HRG CA    CB     sing N N 214 
HRG CA    C      sing N N 215 
HRG CA    HA     sing N N 216 
HRG CB    "CG'"  sing N N 217 
HRG CB    HB1    sing N N 218 
HRG CB    HB2    sing N N 219 
HRG CG    "CG'"  sing N N 220 
HRG CG    CD     sing N N 221 
HRG CG    HG1    sing N N 222 
HRG CG    HG2    sing N N 223 
HRG "CG'" "HG'1" sing N N 224 
HRG "CG'" "HG'2" sing N N 225 
HRG CD    NE     sing N N 226 
HRG CD    HD1    sing N N 227 
HRG CD    HD2    sing N N 228 
HRG NE    CZ     sing N N 229 
HRG NE    HNE    sing N N 230 
HRG CZ    NH1    doub N N 231 
HRG CZ    NH2    sing N N 232 
HRG NH1   HN1    sing N N 233 
HRG NH2   HN21   sing N N 234 
HRG NH2   HN22   sing N N 235 
HRG C     O      doub N N 236 
HRG C     OXT    sing N N 237 
HRG OXT   HXT    sing N N 238 
ILE N     CA     sing N N 239 
ILE N     H      sing N N 240 
ILE N     H2     sing N N 241 
ILE CA    C      sing N N 242 
ILE CA    CB     sing N N 243 
ILE CA    HA     sing N N 244 
ILE C     O      doub N N 245 
ILE C     OXT    sing N N 246 
ILE CB    CG1    sing N N 247 
ILE CB    CG2    sing N N 248 
ILE CB    HB     sing N N 249 
ILE CG1   CD1    sing N N 250 
ILE CG1   HG12   sing N N 251 
ILE CG1   HG13   sing N N 252 
ILE CG2   HG21   sing N N 253 
ILE CG2   HG22   sing N N 254 
ILE CG2   HG23   sing N N 255 
ILE CD1   HD11   sing N N 256 
ILE CD1   HD12   sing N N 257 
ILE CD1   HD13   sing N N 258 
ILE OXT   HXT    sing N N 259 
LEU N     CA     sing N N 260 
LEU N     H      sing N N 261 
LEU N     H2     sing N N 262 
LEU CA    C      sing N N 263 
LEU CA    CB     sing N N 264 
LEU CA    HA     sing N N 265 
LEU C     O      doub N N 266 
LEU C     OXT    sing N N 267 
LEU CB    CG     sing N N 268 
LEU CB    HB2    sing N N 269 
LEU CB    HB3    sing N N 270 
LEU CG    CD1    sing N N 271 
LEU CG    CD2    sing N N 272 
LEU CG    HG     sing N N 273 
LEU CD1   HD11   sing N N 274 
LEU CD1   HD12   sing N N 275 
LEU CD1   HD13   sing N N 276 
LEU CD2   HD21   sing N N 277 
LEU CD2   HD22   sing N N 278 
LEU CD2   HD23   sing N N 279 
LEU OXT   HXT    sing N N 280 
LYS N     CA     sing N N 281 
LYS N     H      sing N N 282 
LYS N     H2     sing N N 283 
LYS CA    C      sing N N 284 
LYS CA    CB     sing N N 285 
LYS CA    HA     sing N N 286 
LYS C     O      doub N N 287 
LYS C     OXT    sing N N 288 
LYS CB    CG     sing N N 289 
LYS CB    HB2    sing N N 290 
LYS CB    HB3    sing N N 291 
LYS CG    CD     sing N N 292 
LYS CG    HG2    sing N N 293 
LYS CG    HG3    sing N N 294 
LYS CD    CE     sing N N 295 
LYS CD    HD2    sing N N 296 
LYS CD    HD3    sing N N 297 
LYS CE    NZ     sing N N 298 
LYS CE    HE2    sing N N 299 
LYS CE    HE3    sing N N 300 
LYS NZ    HZ1    sing N N 301 
LYS NZ    HZ2    sing N N 302 
LYS NZ    HZ3    sing N N 303 
LYS OXT   HXT    sing N N 304 
MET N     CA     sing N N 305 
MET N     H      sing N N 306 
MET N     H2     sing N N 307 
MET CA    C      sing N N 308 
MET CA    CB     sing N N 309 
MET CA    HA     sing N N 310 
MET C     O      doub N N 311 
MET C     OXT    sing N N 312 
MET CB    CG     sing N N 313 
MET CB    HB2    sing N N 314 
MET CB    HB3    sing N N 315 
MET CG    SD     sing N N 316 
MET CG    HG2    sing N N 317 
MET CG    HG3    sing N N 318 
MET SD    CE     sing N N 319 
MET CE    HE1    sing N N 320 
MET CE    HE2    sing N N 321 
MET CE    HE3    sing N N 322 
MET OXT   HXT    sing N N 323 
NLE N     CA     sing N N 324 
NLE N     H      sing N N 325 
NLE N     H2     sing N N 326 
NLE CA    C      sing N N 327 
NLE CA    CB     sing N N 328 
NLE CA    HA     sing N N 329 
NLE C     O      doub N N 330 
NLE C     OXT    sing N N 331 
NLE OXT   HXT    sing N N 332 
NLE CB    CG     sing N N 333 
NLE CB    HB2    sing N N 334 
NLE CB    HB3    sing N N 335 
NLE CG    CD     sing N N 336 
NLE CG    HG2    sing N N 337 
NLE CG    HG3    sing N N 338 
NLE CD    CE     sing N N 339 
NLE CD    HD2    sing N N 340 
NLE CD    HD3    sing N N 341 
NLE CE    HE1    sing N N 342 
NLE CE    HE2    sing N N 343 
NLE CE    HE3    sing N N 344 
PHE N     CA     sing N N 345 
PHE N     H      sing N N 346 
PHE N     H2     sing N N 347 
PHE CA    C      sing N N 348 
PHE CA    CB     sing N N 349 
PHE CA    HA     sing N N 350 
PHE C     O      doub N N 351 
PHE C     OXT    sing N N 352 
PHE CB    CG     sing N N 353 
PHE CB    HB2    sing N N 354 
PHE CB    HB3    sing N N 355 
PHE CG    CD1    doub Y N 356 
PHE CG    CD2    sing Y N 357 
PHE CD1   CE1    sing Y N 358 
PHE CD1   HD1    sing N N 359 
PHE CD2   CE2    doub Y N 360 
PHE CD2   HD2    sing N N 361 
PHE CE1   CZ     doub Y N 362 
PHE CE1   HE1    sing N N 363 
PHE CE2   CZ     sing Y N 364 
PHE CE2   HE2    sing N N 365 
PHE CZ    HZ     sing N N 366 
PHE OXT   HXT    sing N N 367 
PRO N     CA     sing N N 368 
PRO N     CD     sing N N 369 
PRO N     H      sing N N 370 
PRO CA    C      sing N N 371 
PRO CA    CB     sing N N 372 
PRO CA    HA     sing N N 373 
PRO C     O      doub N N 374 
PRO C     OXT    sing N N 375 
PRO CB    CG     sing N N 376 
PRO CB    HB2    sing N N 377 
PRO CB    HB3    sing N N 378 
PRO CG    CD     sing N N 379 
PRO CG    HG2    sing N N 380 
PRO CG    HG3    sing N N 381 
PRO CD    HD2    sing N N 382 
PRO CD    HD3    sing N N 383 
PRO OXT   HXT    sing N N 384 
SER N     CA     sing N N 385 
SER N     H      sing N N 386 
SER N     H2     sing N N 387 
SER CA    C      sing N N 388 
SER CA    CB     sing N N 389 
SER CA    HA     sing N N 390 
SER C     O      doub N N 391 
SER C     OXT    sing N N 392 
SER CB    OG     sing N N 393 
SER CB    HB2    sing N N 394 
SER CB    HB3    sing N N 395 
SER OG    HG     sing N N 396 
SER OXT   HXT    sing N N 397 
THR N     CA     sing N N 398 
THR N     H      sing N N 399 
THR N     H2     sing N N 400 
THR CA    C      sing N N 401 
THR CA    CB     sing N N 402 
THR CA    HA     sing N N 403 
THR C     O      doub N N 404 
THR C     OXT    sing N N 405 
THR CB    OG1    sing N N 406 
THR CB    CG2    sing N N 407 
THR CB    HB     sing N N 408 
THR OG1   HG1    sing N N 409 
THR CG2   HG21   sing N N 410 
THR CG2   HG22   sing N N 411 
THR CG2   HG23   sing N N 412 
THR OXT   HXT    sing N N 413 
TRP N     CA     sing N N 414 
TRP N     H      sing N N 415 
TRP N     H2     sing N N 416 
TRP CA    C      sing N N 417 
TRP CA    CB     sing N N 418 
TRP CA    HA     sing N N 419 
TRP C     O      doub N N 420 
TRP C     OXT    sing N N 421 
TRP CB    CG     sing N N 422 
TRP CB    HB2    sing N N 423 
TRP CB    HB3    sing N N 424 
TRP CG    CD1    doub Y N 425 
TRP CG    CD2    sing Y N 426 
TRP CD1   NE1    sing Y N 427 
TRP CD1   HD1    sing N N 428 
TRP CD2   CE2    doub Y N 429 
TRP CD2   CE3    sing Y N 430 
TRP NE1   CE2    sing Y N 431 
TRP NE1   HE1    sing N N 432 
TRP CE2   CZ2    sing Y N 433 
TRP CE3   CZ3    doub Y N 434 
TRP CE3   HE3    sing N N 435 
TRP CZ2   CH2    doub Y N 436 
TRP CZ2   HZ2    sing N N 437 
TRP CZ3   CH2    sing Y N 438 
TRP CZ3   HZ3    sing N N 439 
TRP CH2   HH2    sing N N 440 
TRP OXT   HXT    sing N N 441 
TYR N     CA     sing N N 442 
TYR N     H      sing N N 443 
TYR N     H2     sing N N 444 
TYR CA    C      sing N N 445 
TYR CA    CB     sing N N 446 
TYR CA    HA     sing N N 447 
TYR C     O      doub N N 448 
TYR C     OXT    sing N N 449 
TYR CB    CG     sing N N 450 
TYR CB    HB2    sing N N 451 
TYR CB    HB3    sing N N 452 
TYR CG    CD1    doub Y N 453 
TYR CG    CD2    sing Y N 454 
TYR CD1   CE1    sing Y N 455 
TYR CD1   HD1    sing N N 456 
TYR CD2   CE2    doub Y N 457 
TYR CD2   HD2    sing N N 458 
TYR CE1   CZ     doub Y N 459 
TYR CE1   HE1    sing N N 460 
TYR CE2   CZ     sing Y N 461 
TYR CE2   HE2    sing N N 462 
TYR CZ    OH     sing N N 463 
TYR OH    HH     sing N N 464 
TYR OXT   HXT    sing N N 465 
VAL N     CA     sing N N 466 
VAL N     H      sing N N 467 
VAL N     H2     sing N N 468 
VAL CA    C      sing N N 469 
VAL CA    CB     sing N N 470 
VAL CA    HA     sing N N 471 
VAL C     O      doub N N 472 
VAL C     OXT    sing N N 473 
VAL CB    CG1    sing N N 474 
VAL CB    CG2    sing N N 475 
VAL CB    HB     sing N N 476 
VAL CG1   HG11   sing N N 477 
VAL CG1   HG12   sing N N 478 
VAL CG1   HG13   sing N N 479 
VAL CG2   HG21   sing N N 480 
VAL CG2   HG22   sing N N 481 
VAL CG2   HG23   sing N N 482 
VAL OXT   HXT    sing N N 483 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Agence Nationale de la Recherche (ANR)' France ANR-15-CE07-0010 1 
'Agence Nationale de la Recherche (ANR)' France ANR-17-CE07-0020 2 
'Agence Nationale de la Recherche (ANR)' France ANR-20-CE18-0038 3 
# 
_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   3KMR 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9GFE 
_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]   0.011408 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.003121 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.016041 
_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]   0.020957 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N     . THR A 1 1   ? -20.382 20.555  -7.703  1    53.66 ?  181 THR A N     1 
ATOM   2    C CA    . THR A 1 1   ? -20.033 21.976  -7.757  1    53.54 ?  181 THR A CA    1 
ATOM   3    C C     . THR A 1 1   ? -18.749 22.409  -6.996  1    52.8  ?  181 THR A C     1 
ATOM   4    O O     . THR A 1 1   ? -18.445 23.605  -7.034  1    52.68 ?  181 THR A O     1 
ATOM   5    C CB    . THR A 1 1   ? -21.226 22.794  -7.259  1    55.16 ?  181 THR A CB    1 
ATOM   6    O OG1   . THR A 1 1   ? -21.031 24.175  -7.577  1    56.64 ?  181 THR A OG1   1 
ATOM   7    C CG2   . THR A 1 1   ? -21.466 22.609  -5.771  1    55.5  ?  181 THR A CG2   1 
ATOM   8    N N     . PRO A 1 2   ? -17.956 21.523  -6.334  1    51.79 ?  182 PRO A N     1 
ATOM   9    C CA    . PRO A 1 2   ? -16.78  22.019  -5.599  1    50.86 ?  182 PRO A CA    1 
ATOM   10   C C     . PRO A 1 2   ? -15.754 22.725  -6.466  1    49.9  ?  182 PRO A C     1 
ATOM   11   O O     . PRO A 1 2   ? -15.724 22.535  -7.679  1    50.14 ?  182 PRO A O     1 
ATOM   12   C CB    . PRO A 1 2   ? -16.193 20.752  -4.953  1    51.89 ?  182 PRO A CB    1 
ATOM   13   C CG    . PRO A 1 2   ? -16.742 19.621  -5.744  1    52.62 ?  182 PRO A CG    1 
ATOM   14   C CD    . PRO A 1 2   ? -18.118 20.069  -6.15   1    51.29 ?  182 PRO A CD    1 
ATOM   15   N N     . GLU A 1 3   ? -14.878 23.526  -5.841  1    48.63 ?  183 GLU A N     1 
ATOM   16   C CA    . GLU A 1 3   ? -13.802 24.192  -6.567  1    48.24 ?  183 GLU A CA    1 
ATOM   17   C C     . GLU A 1 3   ? -12.864 23.123  -7.143  1    47.6  ?  183 GLU A C     1 
ATOM   18   O O     . GLU A 1 3   ? -12.764 22.025  -6.593  1    47.72 ?  183 GLU A O     1 
ATOM   19   C CB    . GLU A 1 3   ? -13.022 25.138  -5.638  1    50.46 ?  183 GLU A CB    1 
ATOM   20   N N     . VAL A 1 4   ? -12.225 23.413  -8.269  1    46.76 ?  184 VAL A N     1 
ATOM   21   C CA    . VAL A 1 4   ? -11.366 22.458  -8.947  1    46    ?  184 VAL A CA    1 
ATOM   22   C C     . VAL A 1 4   ? -10.311 21.814  -8.026  1    44.74 ?  184 VAL A C     1 
ATOM   23   O O     . VAL A 1 4   ? -10.19  20.591  -8.005  1    44.79 ?  184 VAL A O     1 
ATOM   24   C CB    . VAL A 1 4   ? -10.739 23.101  -10.186 1    47.21 ?  184 VAL A CB    1 
ATOM   25   C CG1   . VAL A 1 4   ? -9.8    22.134  -10.876 1    47.74 ?  184 VAL A CG1   1 
ATOM   26   C CG2   . VAL A 1 4   ? -11.82  23.578  -11.14  1    47.73 ?  184 VAL A CG2   1 
ATOM   27   N N     . GLY A 1 5   ? -9.652  22.625  -7.206  1    42.95 ?  185 GLY A N     1 
ATOM   28   C CA    . GLY A 1 5   ? -8.636  22.137  -6.282  1    41.94 ?  185 GLY A CA    1 
ATOM   29   C C     . GLY A 1 5   ? -9.169  21.149  -5.267  1    40.54 ?  185 GLY A C     1 
ATOM   30   O O     . GLY A 1 5   ? -8.467  20.207  -4.893  1    40.87 ?  185 GLY A O     1 
ATOM   31   N N     . GLU A 1 6   ? -10.412 21.357  -4.815  1    39.04 ?  186 GLU A N     1 
ATOM   32   C CA    . GLU A 1 6   ? -11.079 20.495  -3.849  1    38.27 ?  186 GLU A CA    1 
ATOM   33   C C     . GLU A 1 6   ? -11.476 19.171  -4.485  1    36.82 ?  186 GLU A C     1 
ATOM   34   O O     . GLU A 1 6   ? -11.36  18.124  -3.839  1    37    ?  186 GLU A O     1 
ATOM   35   C CB    . GLU A 1 6   ? -12.325 21.183  -3.266  1    40.91 ?  186 GLU A CB    1 
ATOM   36   N N     . LEU A 1 7   ? -11.977 19.215  -5.729  1    35.47 ?  187 LEU A N     1 
ATOM   37   C CA    . LEU A 1 7   ? -12.4   17.998  -6.444  1    34.28 ?  187 LEU A CA    1 
ATOM   38   C C     . LEU A 1 7   ? -11.19  17.117  -6.71   1    32.23 ?  187 LEU A C     1 
ATOM   39   O O     . LEU A 1 7   ? -11.249 15.906  -6.473  1    31.97 ?  187 LEU A O     1 
ATOM   40   C CB    . LEU A 1 7   ? -13.13  18.327  -7.756  1    34.91 ?  187 LEU A CB    1 
ATOM   41   C CG    . LEU A 1 7   ? -13.648 17.112  -8.558  1    37.75 ?  187 LEU A CG    1 
ATOM   42   C CD1   . LEU A 1 7   ? -14.629 16.294  -7.751  1    38.29 ?  187 LEU A CD1   1 
ATOM   43   C CD2   . LEU A 1 7   ? -14.357 17.556  -9.817  1    39.57 ?  187 LEU A CD2   1 
ATOM   44   N N     . ILE A 1 8   ? -10.081 17.725  -7.137  1    30.46 ?  188 ILE A N     1 
ATOM   45   C CA    . ILE A 1 8   ? -8.83   17.011  -7.413  1    30.69 ?  188 ILE A CA    1 
ATOM   46   C C     . ILE A 1 8   ? -8.348  16.292  -6.161  1    31.35 ?  188 ILE A C     1 
ATOM   47   O O     . ILE A 1 8   ? -7.981  15.121  -6.24   1    31.74 ?  188 ILE A O     1 
ATOM   48   C CB    . ILE A 1 8   ? -7.74   17.987  -7.927  1    30.97 ?  188 ILE A CB    1 
ATOM   49   C CG1   . ILE A 1 8   ? -8.072  18.481  -9.313  1    31.79 ?  188 ILE A CG1   1 
ATOM   50   C CG2   . ILE A 1 8   ? -6.347  17.363  -7.895  1    31.79 ?  188 ILE A CG2   1 
ATOM   51   C CD1   . ILE A 1 8   ? -7.287  19.714  -9.691  1    33.56 ?  188 ILE A CD1   1 
ATOM   52   N N     . GLU A 1 9   ? -8.336  16.993  -5.006  1    30.76 ?  189 GLU A N     1 
ATOM   53   C CA    . GLU A 1 9   ? -7.84   16.379  -3.775  1    30.34 ?  189 GLU A CA    1 
ATOM   54   C C     . GLU A 1 9   ? -8.726  15.23   -3.318  1    28.41 ?  189 GLU A C     1 
ATOM   55   O O     . GLU A 1 9   ? -8.234  14.223  -2.817  1    28.45 ?  189 GLU A O     1 
ATOM   56   C CB    . GLU A 1 9   ? -7.672  17.442  -2.668  1    33.95 ?  189 GLU A CB    1 
ATOM   57   C CG    . GLU A 1 9   ? -7.237  16.89   -1.322  1    39.56 ?  189 GLU A CG    1 
ATOM   58   C CD    . GLU A 1 9   ? -5.875  16.216  -1.278  1    47.39 ?  189 GLU A CD    1 
ATOM   59   O OE1   . GLU A 1 9   ? -5.014  16.525  -2.134  1    47.45 ?  189 GLU A OE1   1 
ATOM   60   O OE2   . GLU A 1 9   ? -5.665  15.384  -0.366  1    51.4  -1 189 GLU A OE2   1 
ATOM   61   N N     . LYS A 1 10  ? -10.032 15.379  -3.475  1    26.88 ?  190 LYS A N     1 
ATOM   62   C CA    . LYS A 1 10  ? -10.98  14.327  -3.09   1    26.35 ?  190 LYS A CA    1 
ATOM   63   C C     . LYS A 1 10  ? -10.734 13.065  -3.926  1    26.19 ?  190 LYS A C     1 
ATOM   64   O O     . LYS A 1 10  ? -10.705 11.954  -3.387  1    25.65 ?  190 LYS A O     1 
ATOM   65   C CB    . LYS A 1 10  ? -12.404 14.833  -3.311  1    27.98 ?  190 LYS A CB    1 
ATOM   66   C CG    . LYS A 1 10  ? -13.466 13.864  -2.817  1    31.24 ?  190 LYS A CG    1 
ATOM   67   C CD    . LYS A 1 10  ? -13.656 13.933  -1.284  1    36.81 ?  190 LYS A CD    1 
ATOM   68   C CE    . LYS A 1 10  ? -14.854 13.138  -0.783  1    38.71 ?  190 LYS A CE    1 
ATOM   69   N NZ    . LYS A 1 10  ? -14.598 11.67   -0.778  1    38.43 1  190 LYS A NZ    1 
ATOM   70   N N     . VAL A 1 11  ? -10.559 13.244  -5.234  1    24.86 ?  191 VAL A N     1 
ATOM   71   C CA    . VAL A 1 11  ? -10.337 12.103  -6.13   1    24.82 ?  191 VAL A CA    1 
ATOM   72   C C     . VAL A 1 11  ? -8.967  11.485  -5.921  1    24.87 ?  191 VAL A C     1 
ATOM   73   O O     . VAL A 1 11  ? -8.81   10.249  -5.892  1    24.51 ?  191 VAL A O     1 
ATOM   74   C CB    . VAL A 1 11  ? -10.577 12.519  -7.588  1    26.02 ?  191 VAL A CB    1 
ATOM   75   C CG1   . VAL A 1 11  ? -10.265 11.365  -8.526  1    26.46 ?  191 VAL A CG1   1 
ATOM   76   C CG2   . VAL A 1 11  ? -12.024 12.962  -7.771  1    25.6  ?  191 VAL A CG2   1 
ATOM   77   N N     . ARG A 1 12  ? -7.95   12.327  -5.704  1    24.86 ?  192 ARG A N     1 
ATOM   78   C CA    . ARG A 1 12  ? -6.597  11.849  -5.459  1    24.5  ?  192 ARG A CA    1 
ATOM   79   C C     . ARG A 1 12  ? -6.591  10.971  -4.2    1    24.05 ?  192 ARG A C     1 
ATOM   80   O O     . ARG A 1 12  ? -6.02   9.876   -4.203  1    23.41 ?  192 ARG A O     1 
ATOM   81   C CB    . ARG A 1 12  ? -5.629  13.029  -5.308  1    25.83 ?  192 ARG A CB    1 
ATOM   82   C CG    . ARG A 1 12  ? -4.172  12.604  -5.107  1    29.67 ?  192 ARG A CG    1 
ATOM   83   C CD    . ARG A 1 12  ? -3.367  13.629  -4.307  1    32.49 ?  192 ARG A CD    1 
ATOM   84   N NE    . ARG A 1 12  ? -3.895  13.767  -2.946  1    35.14 ?  192 ARG A NE    1 
ATOM   85   C CZ    . ARG A 1 12  ? -3.57   12.966  -1.931  1    38.36 ?  192 ARG A CZ    1 
ATOM   86   N NH1   . ARG A 1 12  ? -2.719  11.962  -2.114  1    38    1  192 ARG A NH1   1 
ATOM   87   N NH2   . ARG A 1 12  ? -4.111  13.147  -0.735  1    38.53 ?  192 ARG A NH2   1 
ATOM   88   N N     . LYS A 1 13  ? -7.267  11.437  -3.142  1    23.71 ?  193 LYS A N     1 
ATOM   89   C CA    . LYS A 1 13  ? -7.349  10.717  -1.872  1    24.88 ?  193 LYS A CA    1 
ATOM   90   C C     . LYS A 1 13  ? -8.16   9.427   -2.037  1    24.24 ?  193 LYS A C     1 
ATOM   91   O O     . LYS A 1 13  ? -7.741  8.393   -1.517  1    25.12 ?  193 LYS A O     1 
ATOM   92   C CB    . LYS A 1 13  ? -8.014  11.653  -0.836  1    29.63 ?  193 LYS A CB    1 
ATOM   93   C CG    . LYS A 1 13  ? -8.098  11.138  0.587   1    37.42 ?  193 LYS A CG    1 
ATOM   94   C CD    . LYS A 1 13  ? -8.865  12.175  1.445   1    43.83 ?  193 LYS A CD    1 
ATOM   95   C CE    . LYS A 1 13  ? -9.002  11.793  2.903   1    48.89 ?  193 LYS A CE    1 
ATOM   96   N NZ    . LYS A 1 13  ? -10.007 10.71   3.104   1    51.5  1  193 LYS A NZ    1 
ATOM   97   N N     . ALA A 1 14  ? -9.245  9.444   -2.832  1    23.49 ?  194 ALA A N     1 
ATOM   98   C CA    . ALA A 1 14  ? -10.094 8.249   -3.058  1    23.41 ?  194 ALA A CA    1 
ATOM   99   C C     . ALA A 1 14  ? -9.223  7.159   -3.72   1    24.19 ?  194 ALA A C     1 
ATOM   100  O O     . ALA A 1 14  ? -9.279  6.01    -3.306  1    24.55 ?  194 ALA A O     1 
ATOM   101  C CB    . ALA A 1 14  ? -11.282 8.602   -3.972  1    24.72 ?  194 ALA A CB    1 
ATOM   102  N N     . HIS A 1 15  ? -8.418  7.537   -4.713  1    22.44 ?  195 HIS A N     1 
ATOM   103  C CA    . HIS A 1 15  ? -7.549  6.574   -5.381  1    22    ?  195 HIS A CA    1 
ATOM   104  C C     . HIS A 1 15  ? -6.419  6.104   -4.462  1    21.62 ?  195 HIS A C     1 
ATOM   105  O O     . HIS A 1 15  ? -6.23   4.896   -4.278  1    21.39 ?  195 HIS A O     1 
ATOM   106  C CB    . HIS A 1 15  ? -6.999  7.186   -6.657  1    22.17 ?  195 HIS A CB    1 
ATOM   107  C CG    . HIS A 1 15  ? -6.023  6.316   -7.356  1    23.09 ?  195 HIS A CG    1 
ATOM   108  N ND1   . HIS A 1 15  ? -6.438  5.21    -8.083  1    24.96 ?  195 HIS A ND1   1 
ATOM   109  C CD2   . HIS A 1 15  ? -4.675  6.389   -7.385  1    23.99 ?  195 HIS A CD2   1 
ATOM   110  C CE1   . HIS A 1 15  ? -5.326  4.648   -8.527  1    24.54 ?  195 HIS A CE1   1 
ATOM   111  N NE2   . HIS A 1 15  ? -4.241  5.327   -8.142  1    24.65 ?  195 HIS A NE2   1 
ATOM   112  N N     . GLN A 1 16  ? -5.632  7.033   -3.887  1    20.73 ?  196 GLN A N     1 
ATOM   113  C CA    . GLN A 1 16  ? -4.528  6.65    -3.017  1    21.45 ?  196 GLN A CA    1 
ATOM   114  C C     . GLN A 1 16  ? -4.963  5.751   -1.881  1    21.65 ?  196 GLN A C     1 
ATOM   115  O O     . GLN A 1 16  ? -4.334  4.721   -1.645  1    21.64 ?  196 GLN A O     1 
ATOM   116  C CB    . GLN A 1 16  ? -3.81   7.916   -2.485  1    25.17 ?  196 GLN A CB    1 
ATOM   117  C CG    . GLN A 1 16  ? -2.622  7.588   -1.572  1    32.47 ?  196 GLN A CG    1 
ATOM   118  C CD    . GLN A 1 16  ? -2.137  8.829   -0.861  1    42.2  ?  196 GLN A CD    1 
ATOM   119  O OE1   . GLN A 1 16  ? -0.98   9.23    -0.996  1    45.29 ?  196 GLN A OE1   1 
ATOM   120  N NE2   . GLN A 1 16  ? -3.03   9.496   -0.13   1    43.32 ?  196 GLN A NE2   1 
ATOM   121  N N     . GLU A 1 17  ? -6.091  6.071   -1.229  1    20.64 ?  197 GLU A N     1 
ATOM   122  C CA    . GLU A 1 17  ? -6.546  5.258   -0.109  1    20.48 ?  197 GLU A CA    1 
ATOM   123  C C     . GLU A 1 17  ? -7.069  3.89    -0.477  1    21.04 ?  197 GLU A C     1 
ATOM   124  O O     . GLU A 1 17  ? -7.286  3.071   0.405   1    23.18 ?  197 GLU A O     1 
ATOM   125  C CB    . GLU A 1 17  ? -7.583  6.031   0.711   1    23.91 ?  197 GLU A CB    1 
ATOM   126  C CG    . GLU A 1 17  ? -6.91   7.236   1.332   1    29.63 ?  197 GLU A CG    1 
ATOM   127  C CD    . GLU A 1 17  ? -7.801  8.058   2.237   1    39.73 ?  197 GLU A CD    1 
ATOM   128  O OE1   . GLU A 1 17  ? -7.254  8.938   2.938   1    46.25 ?  197 GLU A OE1   1 
ATOM   129  O OE2   . GLU A 1 17  ? -9.03   7.821   2.26    1    41.02 -1 197 GLU A OE2   1 
ATOM   130  N N     . THR A 1 18  ? -7.259  3.608   -1.782  1    18.62 ?  198 THR A N     1 
ATOM   131  C CA    . THR A 1 18  ? -7.737  2.284   -2.2    1    17.89 ?  198 THR A CA    1 
ATOM   132  C C     . THR A 1 18  ? -6.728  1.589   -3.127  1    17.83 ?  198 THR A C     1 
ATOM   133  O O     . THR A 1 18  ? -7.102  0.569   -3.738  1    18.28 ?  198 THR A O     1 
ATOM   134  C CB    . THR A 1 18  ? -9.102  2.381   -2.915  1    18.91 ?  198 THR A CB    1 
ATOM   135  O OG1   . THR A 1 18  ? -9.01   3.244   -4.087  1    19.06 ?  198 THR A OG1   1 
ATOM   136  C CG2   . THR A 1 18  ? -10.2   2.859   -1.969  1    19.68 ?  198 THR A CG2   1 
ATOM   137  N N     . PHE A 1 19  ? -5.512  2.157   -3.275  1    17.44 ?  199 PHE A N     1 
ATOM   138  C CA    . PHE A 1 19  ? -4.536  1.607   -4.223  1    18.87 ?  199 PHE A CA    1 
ATOM   139  C C     . PHE A 1 19  ? -3.124  1.783   -3.722  1    18.89 ?  199 PHE A C     1 
ATOM   140  O O     . PHE A 1 19  ? -2.569  2.882   -3.81   1    20.86 ?  199 PHE A O     1 
ATOM   141  C CB    . PHE A 1 19  ? -4.658  2.408   -5.541  1    18.98 ?  199 PHE A CB    1 
ATOM   142  C CG    . PHE A 1 19  ? -3.732  1.914   -6.637  1    18.69 ?  199 PHE A CG    1 
ATOM   143  C CD1   . PHE A 1 19  ? -4.019  0.765   -7.334  1    19.85 ?  199 PHE A CD1   1 
ATOM   144  C CD2   . PHE A 1 19  ? -2.586  2.619   -6.971  1    20.56 ?  199 PHE A CD2   1 
ATOM   145  C CE1   . PHE A 1 19  ? -3.164  0.301   -8.344  1    21.33 ?  199 PHE A CE1   1 
ATOM   146  C CE2   . PHE A 1 19  ? -1.724  2.15    -7.96   1    21.5  ?  199 PHE A CE2   1 
ATOM   147  C CZ    . PHE A 1 19  ? -2.042  1.018   -8.676  1    21.43 ?  199 PHE A CZ    1 
ATOM   148  N N     . PRO A 1 20  ? -2.498  0.722   -3.19   1    18.12 ?  200 PRO A N     1 
ATOM   149  C CA    . PRO A 1 20  ? -1.085  0.847   -2.797  1    19.5  ?  200 PRO A CA    1 
ATOM   150  C C     . PRO A 1 20  ? -0.203  0.956   -4.023  1    20.95 ?  200 PRO A C     1 
ATOM   151  O O     . PRO A 1 20  ? -0.428  0.258   -5.014  1    21.63 ?  200 PRO A O     1 
ATOM   152  C CB    . PRO A 1 20  ? -0.808  -0.454  -2.056  1    19.36 ?  200 PRO A CB    1 
ATOM   153  C CG    . PRO A 1 20  ? -1.863  -1.409  -2.479  1    20.45 ?  200 PRO A CG    1 
ATOM   154  C CD    . PRO A 1 20  ? -3.045  -0.632  -2.973  1    18.31 ?  200 PRO A CD    1 
ATOM   155  N N     . ALA A 1 21  ? 0.755   1.847   -3.979  1    21.68 ?  201 ALA A N     1 
ATOM   156  C CA    . ALA A 1 21  ? 1.676   2.036   -5.087  1    21.3  ?  201 ALA A CA    1 
ATOM   157  C C     . ALA A 1 21  ? 2.694   0.916   -5.144  1    21.12 ?  201 ALA A C     1 
ATOM   158  O O     . ALA A 1 21  ? 3.032   0.31    -4.12   1    20.59 ?  201 ALA A O     1 
ATOM   159  C CB    . ALA A 1 21  ? 2.369   3.38    -4.956  1    21.84 ?  201 ALA A CB    1 
ATOM   160  N N     . LEU A 1 22  ? 3.284   0.677   -6.345  1    21.12 ?  202 LEU A N     1 
ATOM   161  C CA    . LEU A 1 22  ? 4.306   -0.369  -6.472  1    22.08 ?  202 LEU A CA    1 
ATOM   162  C C     . LEU A 1 22  ? 5.473   -0.196  -5.448  1    22.76 ?  202 LEU A C     1 
ATOM   163  O O     . LEU A 1 22  ? 5.894   -1.183  -4.828  1    24.1  ?  202 LEU A O     1 
ATOM   164  C CB    . LEU A 1 22  ? 4.834   -0.349  -7.929  1    23.77 ?  202 LEU A CB    1 
ATOM   165  C CG    . LEU A 1 22  ? 5.947   -1.332  -8.263  1    26.72 ?  202 LEU A CG    1 
ATOM   166  C CD1   . LEU A 1 22  ? 5.568   -2.711  -7.922  1    28.67 ?  202 LEU A CD1   1 
ATOM   167  C CD2   . LEU A 1 22  ? 6.307   -1.255  -9.744  1    28.23 ?  202 LEU A CD2   1 
ATOM   168  N N     . CYS A 1 23  ? 5.916   1.038   -5.193  1    22.58 ?  203 CYS A N     1 
ATOM   169  C CA    . CYS A 1 23  ? 7.032   1.269   -4.246  1    22.37 ?  203 CYS A CA    1 
ATOM   170  C C     . CYS A 1 23  ? 6.717   0.842   -2.823  1    22.04 ?  203 CYS A C     1 
ATOM   171  O O     . CYS A 1 23  ? 7.624   0.547   -2.043  1    23.47 ?  203 CYS A O     1 
ATOM   172  C CB    . CYS A 1 23  ? 7.498   2.718   -4.28   1    23.5  ?  203 CYS A CB    1 
ATOM   173  S SG    . CYS A 1 23  ? 6.232   3.895   -3.77   1    27.69 ?  203 CYS A SG    1 
ATOM   174  N N     . GLN A 1 24  ? 5.417   0.871   -2.455  1    20.14 ?  204 GLN A N     1 
ATOM   175  C CA    . GLN A 1 24  ? 5.015   0.505   -1.092  1    19.73 ?  204 GLN A CA    1 
ATOM   176  C C     . GLN A 1 24  ? 4.976   -0.97   -0.842  1    21.56 ?  204 GLN A C     1 
ATOM   177  O O     . GLN A 1 24  ? 4.928   -1.388  0.313   1    22.88 ?  204 GLN A O     1 
ATOM   178  C CB    . GLN A 1 24  ? 3.616   1.039   -0.791  1    19.98 ?  204 GLN A CB    1 
ATOM   179  C CG    . GLN A 1 24  ? 3.545   2.551   -0.82   1    19.84 ?  204 GLN A CG    1 
ATOM   180  C CD    . GLN A 1 24  ? 2.15    3.011   -0.516  1    22.21 ?  204 GLN A CD    1 
ATOM   181  O OE1   . GLN A 1 24  ? 1.22    2.859   -1.322  1    22.78 ?  204 GLN A OE1   1 
ATOM   182  N NE2   . GLN A 1 24  ? 1.938   3.577   0.667   1    21.01 ?  204 GLN A NE2   1 
ATOM   183  N N     . LEU A 1 25  ? 4.906   -1.787  -1.916  1    20.96 ?  205 LEU A N     1 
ATOM   184  C CA    . LEU A 1 25  ? 4.698   -3.209  -1.777  1    21.04 ?  205 LEU A CA    1 
ATOM   185  C C     . LEU A 1 25  ? 5.942   -4.047  -1.673  1    20.9  ?  205 LEU A C     1 
ATOM   186  O O     . LEU A 1 25  ? 6.964   -3.709  -2.231  1    21.9  ?  205 LEU A O     1 
ATOM   187  C CB    . LEU A 1 25  ? 3.865   -3.664  -2.992  1    21.79 ?  205 LEU A CB    1 
ATOM   188  C CG    . LEU A 1 25  ? 2.467   -3.027  -3.018  1    23.95 ?  205 LEU A CG    1 
ATOM   189  C CD1   . LEU A 1 25  ? 1.753   -3.317  -4.355  1    25.24 ?  205 LEU A CD1   1 
ATOM   190  C CD2   . LEU A 1 25  ? 1.64    -3.496  -1.802  1    24.13 ?  205 LEU A CD2   1 
ATOM   191  N N     . GLY A 1 26  ? 5.808   -5.188  -1.001  1    20.24 ?  206 GLY A N     1 
ATOM   192  C CA    . GLY A 1 26  ? 6.89    -6.157  -0.89   1    20.86 ?  206 GLY A CA    1 
ATOM   193  C C     . GLY A 1 26  ? 6.729   -7.175  -2.004  1    21.25 ?  206 GLY A C     1 
ATOM   194  O O     . GLY A 1 26  ? 5.935   -8.125  -1.909  1    21.66 ?  206 GLY A O     1 
ATOM   195  N N     . LYS A 1 27  ? 7.422   -6.928  -3.111  1    20.87 ?  207 LYS A N     1 
ATOM   196  C CA    . LYS A 1 27  ? 7.313   -7.794  -4.274  1    20.47 ?  207 LYS A CA    1 
ATOM   197  C C     . LYS A 1 27  ? 7.741   -9.195  -3.984  1    21.5  ?  207 LYS A C     1 
ATOM   198  O O     . LYS A 1 27  ? 8.732   -9.446  -3.261  1    23.62 ?  207 LYS A O     1 
ATOM   199  C CB    . LYS A 1 27  ? 8.144   -7.249  -5.457  1    21.58 ?  207 LYS A CB    1 
ATOM   200  C CG    . LYS A 1 27  ? 7.619   -5.912  -5.961  1    22.66 ?  207 LYS A CG    1 
ATOM   201  C CD    . LYS A 1 27  ? 8.549   -5.189  -6.958  1    26.57 ?  207 LYS A CD    1 
ATOM   202  C CE    . LYS A 1 27  ? 8.606   -5.846  -8.301  1    30.3  ?  207 LYS A CE    1 
ATOM   203  N NZ    . LYS A 1 27  ? 9.7     -5.283  -9.15   1    31.42 1  207 LYS A NZ    1 
ATOM   204  N N     . TYR A 1 28  ? 6.99    -10.143 -4.559  1    20.14 ?  208 TYR A N     1 
ATOM   205  C CA    . TYR A 1 28  ? 7.406   -11.535 -4.504  1    21.75 ?  208 TYR A CA    1 
ATOM   206  C C     . TYR A 1 28  ? 7.007   -12.227 -5.782  1    23.46 ?  208 TYR A C     1 
ATOM   207  O O     . TYR A 1 28  ? 6.122   -11.749 -6.477  1    23.01 ?  208 TYR A O     1 
ATOM   208  C CB    . TYR A 1 28  ? 6.881   -12.263 -3.266  1    22.26 ?  208 TYR A CB    1 
ATOM   209  C CG    . TYR A 1 28  ? 5.404   -12.544 -3.252  1    22.82 ?  208 TYR A CG    1 
ATOM   210  C CD1   . TYR A 1 28  ? 4.497   -11.594 -2.797  1    23.22 ?  208 TYR A CD1   1 
ATOM   211  C CD2   . TYR A 1 28  ? 4.903   -13.764 -3.685  1    23.24 ?  208 TYR A CD2   1 
ATOM   212  C CE1   . TYR A 1 28  ? 3.142   -11.873 -2.721  1    24.13 ?  208 TYR A CE1   1 
ATOM   213  C CE2   . TYR A 1 28  ? 3.546   -14.043 -3.638  1    25.31 ?  208 TYR A CE2   1 
ATOM   214  C CZ    . TYR A 1 28  ? 2.657   -13.069 -3.211  1    25.43 ?  208 TYR A CZ    1 
ATOM   215  O OH    . TYR A 1 28  ? 1.303   -13.328 -3.18   1    26.88 ?  208 TYR A OH    1 
ATOM   216  N N     . THR A 1 29  ? 7.669   -13.334 -6.107  1    25.51 ?  209 THR A N     1 
ATOM   217  C CA    . THR A 1 29  ? 7.379   -14.06  -7.345  1    27.95 ?  209 THR A CA    1 
ATOM   218  C C     . THR A 1 29  ? 7.054   -15.544 -7.052  1    28.71 ?  209 THR A C     1 
ATOM   219  O O     . THR A 1 29  ? 7.194   -16.036 -5.919  1    29.98 ?  209 THR A O     1 
ATOM   220  C CB    . THR A 1 29  ? 8.554   -13.877 -8.367  1    32.02 ?  209 THR A CB    1 
ATOM   221  O OG1   . THR A 1 29  ? 9.757   -14.447 -7.861  1    34.41 ?  209 THR A OG1   1 
ATOM   222  C CG2   . THR A 1 29  ? 8.782   -12.422 -8.781  1    33.69 ?  209 THR A CG2   1 
ATOM   223  N N     . THR A 1 30  ? 6.604   -16.259 -8.081  1    27.79 ?  210 THR A N     1 
ATOM   224  C CA    . THR A 1 30  ? 6.306   -17.673 -7.982  1    28.38 ?  210 THR A CA    1 
ATOM   225  C C     . THR A 1 30  ? 6.996   -18.391 -9.147  1    28.36 ?  210 THR A C     1 
ATOM   226  O O     . THR A 1 30  ? 7.272   -17.796 -10.191 1    28.36 ?  210 THR A O     1 
ATOM   227  C CB    . THR A 1 30  ? 4.81    -17.903 -8.024  1    31.19 ?  210 THR A CB    1 
ATOM   228  O OG1   . THR A 1 30  ? 4.556   -19.294 -8.014  1    34.81 ?  210 THR A OG1   1 
ATOM   229  C CG2   . THR A 1 30  ? 4.151   -17.294 -9.229  1    31.02 ?  210 THR A CG2   1 
ATOM   230  N N     . ASN A 1 31  ? 7.312   -19.665 -8.939  1    29.49 ?  211 ASN A N     1 
ATOM   231  C CA    . ASN A 1 31  ? 7.901   -20.48  -10.013 1    30.49 ?  211 ASN A CA    1 
ATOM   232  C C     . ASN A 1 31  ? 6.826   -21.061 -10.953 1    31.79 ?  211 ASN A C     1 
ATOM   233  O O     . ASN A 1 31  ? 7.181   -21.603 -12.006 1    33.71 ?  211 ASN A O     1 
ATOM   234  C CB    . ASN A 1 31  ? 8.713   -21.632 -9.407  1    31.33 ?  211 ASN A CB    1 
ATOM   235  C CG    . ASN A 1 31  ? 9.976   -21.142 -8.754  1    34.35 ?  211 ASN A CG    1 
ATOM   236  O OD1   . ASN A 1 31  ? 10.59   -20.174 -9.193  1    35.17 ?  211 ASN A OD1   1 
ATOM   237  N ND2   . ASN A 1 31  ? 10.377  -21.789 -7.673  1    36.8  ?  211 ASN A ND2   1 
ATOM   238  N N     . ASN A 1 32  ? 5.533   -20.989 -10.582 1    31.06 ?  212 ASN A N     1 
ATOM   239  C CA    . ASN A 1 32  ? 4.465   -21.576 -11.381 1    31.84 ?  212 ASN A CA    1 
ATOM   240  C C     . ASN A 1 32  ? 4.442   -21.116 -12.827 1    31.87 ?  212 ASN A C     1 
ATOM   241  O O     . ASN A 1 32  ? 4.266   -19.934 -13.094 1    30.82 ?  212 ASN A O     1 
ATOM   242  C CB    . ASN A 1 32  ? 3.121   -21.344 -10.733 1    34.01 ?  212 ASN A CB    1 
ATOM   243  C CG    . ASN A 1 32  ? 3.061   -21.941 -9.355  1    40.3  ?  212 ASN A CG    1 
ATOM   244  O OD1   . ASN A 1 32  ? 3.641   -21.404 -8.393  1    42.36 ?  212 ASN A OD1   1 
ATOM   245  N ND2   . ASN A 1 32  ? 2.363   -23.058 -9.224  1    41.24 ?  212 ASN A ND2   1 
ATOM   246  N N     . SER A 1 33  ? 4.662   -22.072 -13.764 1    32.15 ?  213 SER A N     1 
ATOM   247  C CA    . SER A 1 33  ? 4.702   -21.881 -15.214 1    32.48 ?  213 SER A CA    1 
ATOM   248  C C     . SER A 1 33  ? 5.36    -20.575 -15.642 1    32.53 ?  213 SER A C     1 
ATOM   249  O O     . SER A 1 33  ? 4.868   -19.894 -16.531 1    32.83 ?  213 SER A O     1 
ATOM   250  C CB    . SER A 1 33  ? 3.308   -22.037 -15.818 1    34.36 ?  213 SER A CB    1 
ATOM   251  O OG    . SER A 1 33  ? 2.409   -21.011 -15.427 1    35.26 ?  213 SER A OG    1 
ATOM   252  N N     . SER A 1 34  ? 6.465   -20.191 -14.963 1    31.83 ?  214 SER A N     1 
ATOM   253  C CA    . SER A 1 34  ? 7.122   -18.934 -15.252 1    31.53 ?  214 SER A CA    1 
ATOM   254  C C     . SER A 1 34  ? 7.715   -18.868 -16.623 1    31.64 ?  214 SER A C     1 
ATOM   255  O O     . SER A 1 34  ? 7.861   -17.777 -17.151 1    31.22 ?  214 SER A O     1 
ATOM   256  C CB    . SER A 1 34  ? 8.181   -18.615 -14.199 1    34.2  ?  214 SER A CB    1 
ATOM   257  O OG    . SER A 1 34  ? 9.23    -19.571 -14.224 1    38.09 ?  214 SER A OG    1 
ATOM   258  N N     . GLU A 1 35  ? 8.087   -20.03  -17.213 1    31.97 ?  215 GLU A N     1 
ATOM   259  C CA    . GLU A 1 35  ? 8.715   -20.024 -18.528 1    32.17 ?  215 GLU A CA    1 
ATOM   260  C C     . GLU A 1 35  ? 8.007   -20.87  -19.571 1    34.4  ?  215 GLU A C     1 
ATOM   261  O O     . GLU A 1 35  ? 8.549   -20.998 -20.676 1    36.92 ?  215 GLU A O     1 
ATOM   262  C CB    . GLU A 1 35  ? 10.185  -20.447 -18.437 1    31.7  ?  215 GLU A CB    1 
ATOM   263  C CG    . GLU A 1 35  ? 10.949  -19.655 -17.396 1    33.27 ?  215 GLU A CG    1 
ATOM   264  C CD    . GLU A 1 35  ? 12.414  -19.416 -17.667 1    32.79 ?  215 GLU A CD    1 
ATOM   265  O OE1   . GLU A 1 35  ? 13.097  -18.885 -16.756 1    33.59 ?  215 GLU A OE1   1 
ATOM   266  O OE2   . GLU A 1 35  ? 12.885  -19.742 -18.781 1    30.1  -1 215 GLU A OE2   1 
ATOM   267  N N     . GLN A 1 36  ? 6.87    -21.499 -19.23  1    32.78 ?  216 GLN A N     1 
ATOM   268  C CA    . GLN A 1 36  ? 6.109   -22.291 -20.189 1    32.99 ?  216 GLN A CA    1 
ATOM   269  C C     . GLN A 1 36  ? 4.725   -21.672 -20.416 1    31.28 ?  216 GLN A C     1 
ATOM   270  O O     . GLN A 1 36  ? 4       -21.478 -19.456 1    30.85 ?  216 GLN A O     1 
ATOM   271  C CB    . GLN A 1 36  ? 5.953   -23.747 -19.72  1    37.49 ?  216 GLN A CB    1 
ATOM   272  C CG    . GLN A 1 36  ? 5.458   -23.927 -18.288 1    45.59 ?  216 GLN A CG    1 
ATOM   273  C CD    . GLN A 1 36  ? 4.764   -25.251 -18.064 1    54.19 ?  216 GLN A CD    1 
ATOM   274  O OE1   . GLN A 1 36  ? 4.814   -26.17  -18.904 1    57.57 ?  216 GLN A OE1   1 
ATOM   275  N NE2   . GLN A 1 36  ? 4.09    -25.38  -16.92  1    55.21 ?  216 GLN A NE2   1 
ATOM   276  N N     . ARG A 1 37  ? 4.365   -21.365 -21.675 1    29.99 ?  217 ARG A N     1 
ATOM   277  C CA    . ARG A 1 37  ? 3.026   -20.847 -21.972 1    29.84 ?  217 ARG A CA    1 
ATOM   278  C C     . ARG A 1 37  ? 2.06    -21.997 -21.942 1    29.48 ?  217 ARG A C     1 
ATOM   279  O O     . ARG A 1 37  ? 2.332   -23.065 -22.503 1    30.58 ?  217 ARG A O     1 
ATOM   280  C CB    . ARG A 1 37  ? 2.938   -20.196 -23.364 1    31.63 ?  217 ARG A CB    1 
ATOM   281  C CG    . ARG A 1 37  ? 3.685   -18.892 -23.484 1    35.32 ?  217 ARG A CG    1 
ATOM   282  C CD    . ARG A 1 37  ? 2.953   -17.746 -22.837 1    36.92 ?  217 ARG A CD    1 
ATOM   283  N NE    . ARG A 1 37  ? 3.859   -16.612 -22.652 1    38.43 ?  217 ARG A NE    1 
ATOM   284  C CZ    . ARG A 1 37  ? 3.858   -15.517 -23.401 1    39.28 ?  217 ARG A CZ    1 
ATOM   285  N NH1   . ARG A 1 37  ? 2.973   -15.377 -24.383 1    36.83 1  217 ARG A NH1   1 
ATOM   286  N NH2   . ARG A 1 37  ? 4.723   -14.538 -23.156 1    38.81 ?  217 ARG A NH2   1 
ATOM   287  N N     . VAL A 1 38  ? 0.948   -21.823 -21.237 1    27.76 ?  218 VAL A N     1 
ATOM   288  C CA    . VAL A 1 38  ? -0.086  -22.84  -21.135 1    27.24 ?  218 VAL A CA    1 
ATOM   289  C C     . VAL A 1 38  ? -1.445  -22.139 -21.329 1    27.67 ?  218 VAL A C     1 
ATOM   290  O O     . VAL A 1 38  ? -1.533  -20.912 -21.209 1    27.35 ?  218 VAL A O     1 
ATOM   291  C CB    . VAL A 1 38  ? -0.042  -23.637 -19.805 1    28.04 ?  218 VAL A CB    1 
ATOM   292  C CG1   . VAL A 1 38  ? 1.216   -24.502 -19.693 1    29.3  ?  218 VAL A CG1   1 
ATOM   293  C CG2   . VAL A 1 38  ? -0.15   -22.706 -18.607 1    27.47 ?  218 VAL A CG2   1 
ATOM   294  N N     A SER A 1 39  ? -2.503  -22.904 -21.639 0.45 27.83 ?  219 SER A N     1 
ATOM   295  N N     B SER A 1 39  ? -2.48   -22.912 -21.626 0.55 27.17 ?  219 SER A N     1 
ATOM   296  C CA    A SER A 1 39  ? -3.827  -22.311 -21.845 0.45 28.08 ?  219 SER A CA    1 
ATOM   297  C CA    B SER A 1 39  ? -3.807  -22.37  -21.836 0.55 26.65 ?  219 SER A CA    1 
ATOM   298  C C     A SER A 1 39  ? -4.356  -21.705 -20.545 0.45 27.85 ?  219 SER A C     1 
ATOM   299  C C     B SER A 1 39  ? -4.353  -21.734 -20.557 0.55 27.15 ?  219 SER A C     1 
ATOM   300  O O     A SER A 1 39  ? -4.88   -20.593 -20.559 0.45 27.78 ?  219 SER A O     1 
ATOM   301  O O     B SER A 1 39  ? -4.887  -20.627 -20.6   0.55 27.01 ?  219 SER A O     1 
ATOM   302  C CB    A SER A 1 39  ? -4.803  -23.343 -22.401 0.45 30.15 ?  219 SER A CB    1 
ATOM   303  C CB    B SER A 1 39  ? -4.729  -23.474 -22.331 0.55 26.61 ?  219 SER A CB    1 
ATOM   304  O OG    A SER A 1 39  ? -5.119  -24.312 -21.418 0.45 33.58 ?  219 SER A OG    1 
ATOM   305  O OG    B SER A 1 39  ? -5.931  -22.891 -22.781 0.55 25.97 ?  219 SER A OG    1 
ATOM   306  N N     . LEU A 1 40  ? -4.201  -22.42  -19.427 1    27.62 ?  220 LEU A N     1 
ATOM   307  C CA    . LEU A 1 40  ? -4.62   -21.892 -18.124 1    28.67 ?  220 LEU A CA    1 
ATOM   308  C C     . LEU A 1 40  ? -3.868  -22.616 -17.034 1    29.78 ?  220 LEU A C     1 
ATOM   309  O O     . LEU A 1 40  ? -3.97   -23.829 -16.946 1    31.98 ?  220 LEU A O     1 
ATOM   310  C CB    . LEU A 1 40  ? -6.127  -22.037 -17.878 1    28.9  ?  220 LEU A CB    1 
ATOM   311  C CG    . LEU A 1 40  ? -6.637  -21.283 -16.636 1    31.34 ?  220 LEU A CG    1 
ATOM   312  C CD1   . LEU A 1 40  ? -6.66   -19.779 -16.864 1    31.91 ?  220 LEU A CD1   1 
ATOM   313  C CD2   . LEU A 1 40  ? -8.014  -21.752 -16.249 1    32.59 ?  220 LEU A CD2   1 
ATOM   314  N N     . ASP A 1 41  ? -3.114  -21.891 -16.204 1    27.56 ?  221 ASP A N     1 
ATOM   315  C CA    . ASP A 1 41  ? -2.431  -22.485 -15.061 1    27.22 ?  221 ASP A CA    1 
ATOM   316  C C     . ASP A 1 41  ? -3.423  -22.3   -13.932 1    28.47 ?  221 ASP A C     1 
ATOM   317  O O     . ASP A 1 41  ? -3.697  -21.155 -13.551 1    28.79 ?  221 ASP A O     1 
ATOM   318  C CB    . ASP A 1 41  ? -1.14   -21.722 -14.765 1    27.72 ?  221 ASP A CB    1 
ATOM   319  C CG    . ASP A 1 41  ? -0.362  -22.26  -13.572 1    33.04 ?  221 ASP A CG    1 
ATOM   320  O OD1   . ASP A 1 41  ? -0.965  -22.423 -12.491 1    31.41 ?  221 ASP A OD1   1 
ATOM   321  O OD2   . ASP A 1 41  ? 0.864   -22.485 -13.713 1    36.91 -1 221 ASP A OD2   1 
ATOM   322  N N     . ILE A 1 42  ? -3.994  -23.397 -13.417 1    28.12 ?  222 ILE A N     1 
ATOM   323  C CA    . ILE A 1 42  ? -5.037  -23.292 -12.411 1    29.06 ?  222 ILE A CA    1 
ATOM   324  C C     . ILE A 1 42  ? -4.573  -22.658 -11.083 1    28.66 ?  222 ILE A C     1 
ATOM   325  O O     . ILE A 1 42  ? -5.377  -21.956 -10.48  1    28.52 ?  222 ILE A O     1 
ATOM   326  C CB    . ILE A 1 42  ? -5.785  -24.638 -12.178 1    31.89 ?  222 ILE A CB    1 
ATOM   327  C CG1   . ILE A 1 42  ? -7.154  -24.405 -11.519 1    34.42 ?  222 ILE A CG1   1 
ATOM   328  C CG2   . ILE A 1 42  ? -4.968  -25.606 -11.352 1    33.85 ?  222 ILE A CG2   1 
ATOM   329  C CD1   . ILE A 1 42  ? -8.035  -23.283 -12.168 1    36.77 ?  222 ILE A CD1   1 
ATOM   330  N N     . ASP A 1 43  ? -3.307  -22.845 -10.651 1    27.55 ?  223 ASP A N     1 
ATOM   331  C CA    . ASP A 1 43  ? -2.857  -22.222 -9.401  1    27.96 ?  223 ASP A CA    1 
ATOM   332  C C     . ASP A 1 43  ? -2.76   -20.71  -9.58   1    26.03 ?  223 ASP A C     1 
ATOM   333  O O     . ASP A 1 43  ? -3.158  -19.951 -8.688  1    26.23 ?  223 ASP A O     1 
ATOM   334  C CB    . ASP A 1 43  ? -1.519  -22.813 -8.926  1    31.08 ?  223 ASP A CB    1 
ATOM   335  C CG    . ASP A 1 43  ? -1.623  -24.289 -8.57   1    39.42 ?  223 ASP A CG    1 
ATOM   336  O OD1   . ASP A 1 43  ? -2.614  -24.671 -7.914  1    40.66 ?  223 ASP A OD1   1 
ATOM   337  O OD2   . ASP A 1 43  ? -0.726  -25.059 -8.969  1    43.31 -1 223 ASP A OD2   1 
ATOM   338  N N     . LEU A 1 44  ? -2.295  -20.264 -10.761 1    24.78 ?  224 LEU A N     1 
ATOM   339  C CA    . LEU A 1 44  ? -2.236  -18.831 -11.045 1    22.82 ?  224 LEU A CA    1 
ATOM   340  C C     . LEU A 1 44  ? -3.637  -18.288 -11.162 1    22    ?  224 LEU A C     1 
ATOM   341  O O     . LEU A 1 44  ? -3.913  -17.217 -10.653 1    22.88 ?  224 LEU A O     1 
ATOM   342  C CB    . LEU A 1 44  ? -1.453  -18.515 -12.32  1    23.35 ?  224 LEU A CB    1 
ATOM   343  C CG    . LEU A 1 44  ? 0.041   -18.756 -12.241 1    26    ?  224 LEU A CG    1 
ATOM   344  C CD1   . LEU A 1 44  ? 0.667   -18.514 -13.585 1    27.26 ?  224 LEU A CD1   1 
ATOM   345  C CD2   . LEU A 1 44  ? 0.679   -17.775 -11.255 1    27.39 ?  224 LEU A CD2   1 
ATOM   346  N N     . TRP A 1 45  ? -4.538  -19.001 -11.861 1    20.79 ?  225 TRP A N     1 
ATOM   347  C CA    . TRP A 1 45  ? -5.921  -18.556 -12.005 1    21.72 ?  225 TRP A CA    1 
ATOM   348  C C     . TRP A 1 45  ? -6.589  -18.381 -10.607 1    22.12 ?  225 TRP A C     1 
ATOM   349  O O     . TRP A 1 45  ? -7.286  -17.393 -10.369 1    22.2  ?  225 TRP A O     1 
ATOM   350  C CB    . TRP A 1 45  ? -6.757  -19.555 -12.854 1    21.83 ?  225 TRP A CB    1 
ATOM   351  C CG    . TRP A 1 45  ? -8.24   -19.366 -12.633 1    23.04 ?  225 TRP A CG    1 
ATOM   352  C CD1   . TRP A 1 45  ? -9.059  -20.152 -11.872 1    25.47 ?  225 TRP A CD1   1 
ATOM   353  C CD2   . TRP A 1 45  ? -9.008  -18.204 -12.975 1    23.98 ?  225 TRP A CD2   1 
ATOM   354  N NE1   . TRP A 1 45  ? -10.306 -19.578 -11.771 1    25.78 ?  225 TRP A NE1   1 
ATOM   355  C CE2   . TRP A 1 45  ? -10.306 -18.389 -12.451 1    25.39 ?  225 TRP A CE2   1 
ATOM   356  C CE3   . TRP A 1 45  ? -8.733  -17.036 -13.698 1    24.5  ?  225 TRP A CE3   1 
ATOM   357  C CZ2   . TRP A 1 45  ? -11.318 -17.429 -12.606 1    25.69 ?  225 TRP A CZ2   1 
ATOM   358  C CZ3   . TRP A 1 45  ? -9.726  -16.065 -13.817 1    25.87 ?  225 TRP A CZ3   1 
ATOM   359  C CH2   . TRP A 1 45  ? -11.017 -16.296 -13.324 1    25.86 ?  225 TRP A CH2   1 
ATOM   360  N N     . ASP A 1 46  ? -6.387  -19.347 -9.702  1    23.61 ?  226 ASP A N     1 
ATOM   361  C CA    . ASP A 1 46  ? -6.976  -19.252 -8.357  1    25.03 ?  226 ASP A CA    1 
ATOM   362  C C     . ASP A 1 46  ? -6.469  -18.009 -7.619  1    25.14 ?  226 ASP A C     1 
ATOM   363  O O     . ASP A 1 46  ? -7.281  -17.314 -6.998  1    27.37 ?  226 ASP A O     1 
ATOM   364  C CB    . ASP A 1 46  ? -6.627  -20.465 -7.517  1    27.96 ?  226 ASP A CB    1 
ATOM   365  C CG    . ASP A 1 46  ? -7.344  -21.743 -7.916  1    35.51 ?  226 ASP A CG    1 
ATOM   366  O OD1   . ASP A 1 46  ? -8.379  -21.649 -8.613  1    38.09 ?  226 ASP A OD1   1 
ATOM   367  O OD2   . ASP A 1 46  ? -6.858  -22.836 -7.539  1    36.3  -1 226 ASP A OD2   1 
ATOM   368  N N     . LYS A 1 47  ? -5.174  -17.695 -7.747  1    22.77 ?  227 LYS A N     1 
ATOM   369  C CA    . LYS A 1 47  ? -4.586  -16.536 -7.078  1    21.78 ?  227 LYS A CA    1 
ATOM   370  C C     . LYS A 1 47  ? -5.088  -15.25  -7.752  1    21.94 ?  227 LYS A C     1 
ATOM   371  O O     . LYS A 1 47  ? -5.472  -14.297 -7.068  1    21.8  ?  227 LYS A O     1 
ATOM   372  C CB    . LYS A 1 47  ? -3.046  -16.613 -7.091  1    24.06 ?  227 LYS A CB    1 
ATOM   373  C CG    . LYS A 1 47  ? -2.359  -15.423 -6.431  1    26.68 ?  227 LYS A CG    1 
ATOM   374  C CD    . LYS A 1 47  ? -2.671  -15.295 -4.95   1    29.07 ?  227 LYS A CD    1 
ATOM   375  C CE    . LYS A 1 47  ? -1.895  -14.126 -4.356  1    30.12 ?  227 LYS A CE    1 
ATOM   376  N NZ    . LYS A 1 47  ? -2.278  -13.831 -2.954  1    30.89 1  227 LYS A NZ    1 
ATOM   377  N N     . PHE A 1 48  ? -5.093  -15.24  -9.081  1    20.97 ?  228 PHE A N     1 
ATOM   378  C CA    . PHE A 1 48  ? -5.516  -14.093 -9.854  1    20.4  ?  228 PHE A CA    1 
ATOM   379  C C     . PHE A 1 48  ? -6.979  -13.748 -9.619  1    21.33 ?  228 PHE A C     1 
ATOM   380  O O     . PHE A 1 48  ? -7.32   -12.57  -9.515  1    21.84 ?  228 PHE A O     1 
ATOM   381  C CB    . PHE A 1 48  ? -5.224  -14.348 -11.343 1    19.59 ?  228 PHE A CB    1 
ATOM   382  C CG    . PHE A 1 48  ? -5.748  -13.326 -12.336 1    19.45 ?  228 PHE A CG    1 
ATOM   383  C CD1   . PHE A 1 48  ? -5.401  -11.99  -12.232 1    20.11 ?  228 PHE A CD1   1 
ATOM   384  C CD2   . PHE A 1 48  ? -6.437  -13.733 -13.467 1    20.05 ?  228 PHE A CD2   1 
ATOM   385  C CE1   . PHE A 1 48  ? -5.851  -11.071 -13.174 1    20.49 ?  228 PHE A CE1   1 
ATOM   386  C CE2   . PHE A 1 48  ? -6.837  -12.819 -14.428 1    21.19 ?  228 PHE A CE2   1 
ATOM   387  C CZ    . PHE A 1 48  ? -6.505  -11.5   -14.29  1    20.64 ?  228 PHE A CZ    1 
ATOM   388  N N     . SER A 1 49  ? -7.864  -14.751 -9.606  1    20.59 ?  229 SER A N     1 
ATOM   389  C CA    . SER A 1 49  ? -9.284  -14.496 -9.381  1    22.09 ?  229 SER A CA    1 
ATOM   390  C C     . SER A 1 49  ? -9.515  -13.97  -7.961  1    22.21 ?  229 SER A C     1 
ATOM   391  O O     . SER A 1 49  ? -10.302 -13.023 -7.777  1    23.36 ?  229 SER A O     1 
ATOM   392  C CB    . SER A 1 49  ? -10.115 -15.739 -9.678  1    24.36 ?  229 SER A CB    1 
ATOM   393  O OG    . SER A 1 49  ? -9.72   -16.82  -8.854  1    26.87 ?  229 SER A OG    1 
ATOM   394  N N     . GLU A 1 50  ? -8.754  -14.458 -6.978  1    21.28 ?  230 GLU A N     1 
ATOM   395  C CA    . GLU A 1 50  ? -8.87   -13.952 -5.588  1    22.1  ?  230 GLU A CA    1 
ATOM   396  C C     . GLU A 1 50  ? -8.421  -12.488 -5.508  1    21.23 ?  230 GLU A C     1 
ATOM   397  O O     . GLU A 1 50  ? -9.1    -11.655 -4.872  1    22.47 ?  230 GLU A O     1 
ATOM   398  C CB    . GLU A 1 50  ? -8.013  -14.819 -4.642  1    25.38 ?  230 GLU A CB    1 
ATOM   399  C CG    . GLU A 1 50  ? -7.809  -14.241 -3.246  1    30.94 ?  230 GLU A CG    1 
ATOM   400  C CD    . GLU A 1 50  ? -6.458  -13.566 -3.052  1    40.09 ?  230 GLU A CD    1 
ATOM   401  O OE1   . GLU A 1 50  ? -5.417  -14.205 -3.334  1    41.18 ?  230 GLU A OE1   1 
ATOM   402  O OE2   . GLU A 1 50  ? -6.443  -12.383 -2.637  1    42.5  -1 230 GLU A OE2   1 
ATOM   403  N N     . LEU A 1 51  ? -7.304  -12.163 -6.19   1    20.11 ?  231 LEU A N     1 
ATOM   404  C CA    . LEU A 1 51  ? -6.813  -10.763 -6.138  1    17.72 ?  231 LEU A CA    1 
ATOM   405  C C     . LEU A 1 51  ? -7.799  -9.865  -6.892  1    18.47 ?  231 LEU A C     1 
ATOM   406  O O     . LEU A 1 51  ? -8.02   -8.716  -6.48   1    18.46 ?  231 LEU A O     1 
ATOM   407  C CB    . LEU A 1 51  ? -5.412  -10.693 -6.797  1    18.08 ?  231 LEU A CB    1 
ATOM   408  C CG    . LEU A 1 51  ? -4.31   -11.278 -5.929  1    19.53 ?  231 LEU A CG    1 
ATOM   409  C CD1   . LEU A 1 51  ? -3.05   -11.552 -6.731  1    20.73 ?  231 LEU A CD1   1 
ATOM   410  C CD2   . LEU A 1 51  ? -3.996  -10.343 -4.764  1    20.85 ?  231 LEU A CD2   1 
ATOM   411  N N     . SER A 1 52  ? -8.429  -10.386 -7.959  1    17.92 ?  232 SER A N     1 
ATOM   412  C CA    . SER A 1 52  ? -9.393  -9.581  -8.722  1    17.23 ?  232 SER A CA    1 
ATOM   413  C C     . SER A 1 52  ? -10.601 -9.275  -7.856  1    19.27 ?  232 SER A C     1 
ATOM   414  O O     . SER A 1 52  ? -11.146 -8.172  -7.932  1    21    ?  232 SER A O     1 
ATOM   415  C CB    . SER A 1 52  ? -9.801  -10.327 -10.002 1    18.11 ?  232 SER A CB    1 
ATOM   416  O OG    . SER A 1 52  ? -8.667  -10.493 -10.845 1    17.54 ?  232 SER A OG    1 
ATOM   417  N N     . THR A 1 53  ? -11.053 -10.244 -7.055  1    19.39 ?  233 THR A N     1 
ATOM   418  C CA    . THR A 1 53  ? -12.187 -10.028 -6.156  1    20.26 ?  233 THR A CA    1 
ATOM   419  C C     . THR A 1 53  ? -11.853 -8.884  -5.161  1    19.61 ?  233 THR A C     1 
ATOM   420  O O     . THR A 1 53  ? -12.678 -7.982  -4.934  1    19.46 ?  233 THR A O     1 
ATOM   421  C CB    . THR A 1 53  ? -12.507 -11.34  -5.415  1    22.48 ?  233 THR A CB    1 
ATOM   422  O OG1   . THR A 1 53  ? -12.968 -12.288 -6.389  1    23.06 ?  233 THR A OG1   1 
ATOM   423  C CG2   . THR A 1 53  ? -13.572 -11.143 -4.343  1    23.93 ?  233 THR A CG2   1 
ATOM   424  N N     . LYS A 1 54  ? -10.649 -8.898  -4.626  1    19.38 ?  234 LYS A N     1 
ATOM   425  C CA    . LYS A 1 54  ? -10.204 -7.858  -3.714  1    19.64 ?  234 LYS A CA    1 
ATOM   426  C C     . LYS A 1 54  ? -10.126 -6.514  -4.412  1    19.57 ?  234 LYS A C     1 
ATOM   427  O O     . LYS A 1 54  ? -10.556 -5.517  -3.818  1    20.61 ?  234 LYS A O     1 
ATOM   428  C CB    . LYS A 1 54  ? -8.876  -8.212  -3.045  1    21.9  ?  234 LYS A CB    1 
ATOM   429  C CG    . LYS A 1 54  ? -9.031  -9.37   -2.085  1    24.27 ?  234 LYS A CG    1 
ATOM   430  C CD    . LYS A 1 54  ? -7.715  -9.589  -1.361  1    29.43 ?  234 LYS A CD    1 
ATOM   431  C CE    . LYS A 1 54  ? -7.891  -10.505 -0.166  1    31.19 ?  234 LYS A CE    1 
ATOM   432  N NZ    . LYS A 1 54  ? -8.4    -11.833 -0.597  1    30.66 1  234 LYS A NZ    1 
ATOM   433  N N     . CYS A 1 55  ? -9.703  -6.489  -5.677  1    18.65 ?  235 CYS A N     1 
ATOM   434  C CA    . CYS A 1 55  ? -9.605  -5.219  -6.405  1    19.18 ?  235 CYS A CA    1 
ATOM   435  C C     . CYS A 1 55  ? -10.975 -4.678  -6.701  1    18.81 ?  235 CYS A C     1 
ATOM   436  O O     . CYS A 1 55  ? -11.166 -3.457  -6.673  1    20.68 ?  235 CYS A O     1 
ATOM   437  C CB    . CYS A 1 55  ? -8.797  -5.385  -7.686  1    19.7  ?  235 CYS A CB    1 
ATOM   438  S SG    . CYS A 1 55  ? -8.43   -3.82   -8.509  1    23.02 ?  235 CYS A SG    1 
ATOM   439  N N     . ILE A 1 56  ? -11.966 -5.566  -6.964  1    18.34 ?  236 ILE A N     1 
ATOM   440  C CA    . ILE A 1 56  ? -13.326 -5.071  -7.166  1    17.86 ?  236 ILE A CA    1 
ATOM   441  C C     . ILE A 1 56  ? -13.841 -4.37   -5.898  1    18.62 ?  236 ILE A C     1 
ATOM   442  O O     . ILE A 1 56  ? -14.418 -3.284  -5.967  1    19.37 ?  236 ILE A O     1 
ATOM   443  C CB    . ILE A 1 56  ? -14.237 -6.206  -7.605  1    18.97 ?  236 ILE A CB    1 
ATOM   444  C CG1   . ILE A 1 56  ? -13.813 -6.715  -8.97   1    19.62 ?  236 ILE A CG1   1 
ATOM   445  C CG2   . ILE A 1 56  ? -15.709 -5.743  -7.601  1    20.06 ?  236 ILE A CG2   1 
ATOM   446  C CD1   . ILE A 1 56  ? -14.601 -8.014  -9.426  1    19.66 ?  236 ILE A CD1   1 
ATOM   447  N N     . ILE A 1 57  ? -13.59  -4.957  -4.728  1    18.47 ?  237 ILE A N     1 
ATOM   448  C CA    . ILE A 1 57  ? -14.014 -4.338  -3.457  1    19.93 ?  237 ILE A CA    1 
ATOM   449  C C     . ILE A 1 57  ? -13.363 -2.95   -3.3    1    19.08 ?  237 ILE A C     1 
ATOM   450  O O     . ILE A 1 57  ? -14.061 -1.991  -2.971  1    19.8  ?  237 ILE A O     1 
ATOM   451  C CB    . ILE A 1 57  ? -13.638 -5.28   -2.296  1    22.19 ?  237 ILE A CB    1 
ATOM   452  C CG1   . ILE A 1 57  ? -14.462 -6.572  -2.369  1    24.02 ?  237 ILE A CG1   1 
ATOM   453  C CG2   . ILE A 1 57  ? -13.774 -4.563  -0.931  1    23.68 ?  237 ILE A CG2   1 
ATOM   454  C CD1   . ILE A 1 57  ? -13.989 -7.707  -1.486  1    27.18 ?  237 ILE A CD1   1 
ATOM   455  N N     . LYS A 1 58  ? -12.072 -2.816  -3.64   1    17.98 ?  238 LYS A N     1 
ATOM   456  C CA    . LYS A 1 58  ? -11.387 -1.515  -3.561  1    17.82 ?  238 LYS A CA    1 
ATOM   457  C C     . LYS A 1 58  ? -11.931 -0.531  -4.598  1    19.46 ?  238 LYS A C     1 
ATOM   458  O O     . LYS A 1 58  ? -12.026 0.647   -4.287  1    20.48 ?  238 LYS A O     1 
ATOM   459  C CB    . LYS A 1 58  ? -9.869  -1.657  -3.711  1    19.75 ?  238 LYS A CB    1 
ATOM   460  C CG    . LYS A 1 58  ? -9.242  -2.43   -2.569  1    21.84 ?  238 LYS A CG    1 
ATOM   461  C CD    . LYS A 1 58  ? -9.292  -1.6    -1.293  1    25.64 ?  238 LYS A CD    1 
ATOM   462  C CE    . LYS A 1 58  ? -8.551  -2.357  -0.213  1    30.16 ?  238 LYS A CE    1 
ATOM   463  N NZ    . LYS A 1 58  ? -8.974  -1.891  1.126   1    32.82 1  238 LYS A NZ    1 
ATOM   464  N N     . THR A 1 59  ? -12.348 -1.02   -5.795  1    17.99 ?  239 THR A N     1 
ATOM   465  C CA    . THR A 1 59  ? -12.932 -0.169  -6.835  1    18.85 ?  239 THR A CA    1 
ATOM   466  C C     . THR A 1 59  ? -14.277 0.394   -6.39   1    19.26 ?  239 THR A C     1 
ATOM   467  O O     . THR A 1 59  ? -14.553 1.565   -6.624  1    20.55 ?  239 THR A O     1 
ATOM   468  C CB    . THR A 1 59  ? -13.045 -0.944  -8.141  1    21.96 ?  239 THR A CB    1 
ATOM   469  O OG1   . THR A 1 59  ? -11.696 -1.214  -8.557  1    21.65 ?  239 THR A OG1   1 
ATOM   470  C CG2   . THR A 1 59  ? -13.739 -0.101  -9.227  1    24.25 ?  239 THR A CG2   1 
ATOM   471  N N     . VAL A 1 60  ? -15.082 -0.412  -5.713  1    18.91 ?  240 VAL A N     1 
ATOM   472  C CA    . VAL A 1 60  ? -16.373 0.065   -5.187  1    19.73 ?  240 VAL A CA    1 
ATOM   473  C C     . VAL A 1 60  ? -16.117 1.074   -4.09   1    20.82 ?  240 VAL A C     1 
ATOM   474  O O     . VAL A 1 60  ? -16.769 2.117   -4.053  1    21.99 ?  240 VAL A O     1 
ATOM   475  C CB    . VAL A 1 60  ? -17.248 -1.097  -4.722  1    21.54 ?  240 VAL A CB    1 
ATOM   476  C CG1   . VAL A 1 60  ? -18.515 -0.577  -4.029  1    22.26 ?  240 VAL A CG1   1 
ATOM   477  C CG2   . VAL A 1 60  ? -17.626 -1.968  -5.905  1    21.7  ?  240 VAL A CG2   1 
ATOM   478  N N     . GLU A 1 61  ? -15.111 0.828   -3.226  1    20.12 ?  241 GLU A N     1 
ATOM   479  C CA    . GLU A 1 61  ? -14.759 1.806   -2.195  1    21.53 ?  241 GLU A CA    1 
ATOM   480  C C     . GLU A 1 61  ? -14.3   3.123   -2.781  1    22.14 ?  241 GLU A C     1 
ATOM   481  O O     . GLU A 1 61  ? -14.708 4.204   -2.324  1    23.8  ?  241 GLU A O     1 
ATOM   482  C CB    . GLU A 1 61  ? -13.735 1.21    -1.224  1    26.29 ?  241 GLU A CB    1 
ATOM   483  C CG    . GLU A 1 61  ? -14.443 0.259   -0.277  1    37.34 ?  241 GLU A CG    1 
ATOM   484  C CD    . GLU A 1 61  ? -15.594 0.89    0.494   1    48.83 ?  241 GLU A CD    1 
ATOM   485  O OE1   . GLU A 1 61  ? -16.716 0.331   0.466   1    52.16 ?  241 GLU A OE1   1 
ATOM   486  O OE2   . GLU A 1 61  ? -15.38  1.974   1.084   1    52.04 -1 241 GLU A OE2   1 
ATOM   487  N N     . PHE A 1 62  ? -13.548 3.048   -3.892  1    19.21 ?  242 PHE A N     1 
ATOM   488  C CA    . PHE A 1 62  ? -13.118 4.253   -4.592  1    18.4  ?  242 PHE A CA    1 
ATOM   489  C C     . PHE A 1 62  ? -14.331 5.012   -5.13   1    20.09 ?  242 PHE A C     1 
ATOM   490  O O     . PHE A 1 62  ? -14.436 6.225   -4.941  1    20.98 ?  242 PHE A O     1 
ATOM   491  C CB    . PHE A 1 62  ? -12.187 3.816   -5.753  1    17.61 ?  242 PHE A CB    1 
ATOM   492  C CG    . PHE A 1 62  ? -11.911 4.867   -6.784  1    17.99 ?  242 PHE A CG    1 
ATOM   493  C CD1   . PHE A 1 62  ? -11.06  5.919   -6.51   1    20.13 ?  242 PHE A CD1   1 
ATOM   494  C CD2   . PHE A 1 62  ? -12.506 4.801   -8.036  1    20.02 ?  242 PHE A CD2   1 
ATOM   495  C CE1   . PHE A 1 62  ? -10.782 6.875   -7.482  1    21.02 ?  242 PHE A CE1   1 
ATOM   496  C CE2   . PHE A 1 62  ? -12.26  5.786   -8.981  1    19.69 ?  242 PHE A CE2   1 
ATOM   497  C CZ    . PHE A 1 62  ? -11.366 6.785   -8.71   1    20.18 ?  242 PHE A CZ    1 
ATOM   498  N N     . ALA A 1 63  ? -15.253 4.299   -5.801  1    19.45 ?  243 ALA A N     1 
ATOM   499  C CA    . ALA A 1 63  ? -16.418 4.941   -6.421  1    20.34 ?  243 ALA A CA    1 
ATOM   500  C C     . ALA A 1 63  ? -17.255 5.653   -5.389  1    22.53 ?  243 ALA A C     1 
ATOM   501  O O     . ALA A 1 63  ? -17.697 6.78    -5.661  1    24.05 ?  243 ALA A O     1 
ATOM   502  C CB    . ALA A 1 63  ? -17.265 3.896   -7.145  1    20.46 ?  243 ALA A CB    1 
ATOM   503  N N     . LYS A 1 64  ? -17.466 5.029   -4.217  1    22.43 ?  244 LYS A N     1 
ATOM   504  C CA    . LYS A 1 64  ? -18.276 5.661   -3.165  1    24.59 ?  244 LYS A CA    1 
ATOM   505  C C     . LYS A 1 64  ? -17.689 6.959   -2.638  1    26.88 ?  244 LYS A C     1 
ATOM   506  O O     . LYS A 1 64  ? -18.435 7.759   -2.054  1    28.7  ?  244 LYS A O     1 
ATOM   507  C CB    . LYS A 1 64  ? -18.549 4.682   -2.027  1    25.45 ?  244 LYS A CB    1 
ATOM   508  C CG    . LYS A 1 64  ? -19.421 3.507   -2.447  1    27.54 ?  244 LYS A CG    1 
ATOM   509  C CD    . LYS A 1 64  ? -19.407 2.413   -1.407  1    31.32 ?  244 LYS A CD    1 
ATOM   510  C CE    . LYS A 1 64  ? -19.853 2.851   -0.028  1    35.62 ?  244 LYS A CE    1 
ATOM   511  N NZ    . LYS A 1 64  ? -19.802 1.708   0.936   1    37.56 1  244 LYS A NZ    1 
ATOM   512  N N     . GLN A 1 65  ? -16.402 7.208   -2.845  1    27.06 ?  245 GLN A N     1 
ATOM   513  C CA    . GLN A 1 65  ? -15.772 8.463   -2.416  1    28.69 ?  245 GLN A CA    1 
ATOM   514  C C     . GLN A 1 65  ? -15.735 9.543   -3.503  1    29.63 ?  245 GLN A C     1 
ATOM   515  O O     . GLN A 1 65  ? -15.146 10.609  -3.285  1    30.99 ?  245 GLN A O     1 
ATOM   516  C CB    . GLN A 1 65  ? -14.336 8.219   -1.931  1    31.18 ?  245 GLN A CB    1 
ATOM   517  C CG    . GLN A 1 65  ? -14.201 7.212   -0.811  1    36.56 ?  245 GLN A CG    1 
ATOM   518  C CD    . GLN A 1 65  ? -12.73  7.112   -0.467  1    46.04 ?  245 GLN A CD    1 
ATOM   519  O OE1   . GLN A 1 65  ? -12.067 6.088   -0.709  1    49.8  ?  245 GLN A OE1   1 
ATOM   520  N NE2   . GLN A 1 65  ? -12.17  8.199   0.066   1    47.17 ?  245 GLN A NE2   1 
ATOM   521  N N     . LEU A 1 66  ? -16.282 9.269   -4.694  1    28.14 ?  246 LEU A N     1 
ATOM   522  C CA    . LEU A 1 66  ? -16.293 10.24   -5.776  1    28.27 ?  246 LEU A CA    1 
ATOM   523  C C     . LEU A 1 66  ? -17.511 11.125  -5.578  1    31.21 ?  246 LEU A C     1 
ATOM   524  O O     . LEU A 1 66  ? -18.612 10.629  -5.345  1    31.44 ?  246 LEU A O     1 
ATOM   525  C CB    . LEU A 1 66  ? -16.381 9.563   -7.14   1    26.88 ?  246 LEU A CB    1 
ATOM   526  C CG    . LEU A 1 66  ? -15.222 8.683   -7.49   1    26.76 ?  246 LEU A CG    1 
ATOM   527  C CD1   . LEU A 1 66  ? -15.494 7.99    -8.821  1    26.01 ?  246 LEU A CD1   1 
ATOM   528  C CD2   . LEU A 1 66  ? -13.91  9.458   -7.533  1    27.89 ?  246 LEU A CD2   1 
ATOM   529  N N     . PRO A 1 67  ? -17.308 12.444  -5.623  1    33.65 ?  247 PRO A N     1 
ATOM   530  C CA    . PRO A 1 67  ? -18.425 13.36   -5.406  1    34.81 ?  247 PRO A CA    1 
ATOM   531  C C     . PRO A 1 67  ? -19.585 13.14   -6.355  1    35.1  ?  247 PRO A C     1 
ATOM   532  O O     . PRO A 1 67  ? -19.412 13.111  -7.58   1    37.06 ?  247 PRO A O     1 
ATOM   533  C CB    . PRO A 1 67  ? -17.775 14.736  -5.589  1    35.96 ?  247 PRO A CB    1 
ATOM   534  C CG    . PRO A 1 67  ? -16.349 14.508  -5.202  1    36.55 ?  247 PRO A CG    1 
ATOM   535  C CD    . PRO A 1 67  ? -16.062 13.189  -5.866  1    34.57 ?  247 PRO A CD    1 
ATOM   536  N N     . GLY A 1 68  ? -20.747 12.933  -5.761  1    33.56 ?  248 GLY A N     1 
ATOM   537  C CA    . GLY A 1 68  ? -21.993 12.751  -6.477  1    32.13 ?  248 GLY A CA    1 
ATOM   538  C C     . GLY A 1 68  ? -22.28  11.348  -6.935  1    30.17 ?  248 GLY A C     1 
ATOM   539  O O     . GLY A 1 68  ? -23.424 11.046  -7.279  1    30.42 ?  248 GLY A O     1 
ATOM   540  N N     . PHE A 1 69  ? -21.263 10.423  -6.874  1    27.97 ?  249 PHE A N     1 
ATOM   541  C CA    . PHE A 1 69  ? -21.524 9.054   -7.321  1    26.26 ?  249 PHE A CA    1 
ATOM   542  C C     . PHE A 1 69  ? -22.656 8.4     -6.517  1    26.57 ?  249 PHE A C     1 
ATOM   543  O O     . PHE A 1 69  ? -23.548 7.791   -7.106  1    26.87 ?  249 PHE A O     1 
ATOM   544  C CB    . PHE A 1 69  ? -20.239 8.173   -7.233  1    24.42 ?  249 PHE A CB    1 
ATOM   545  C CG    . PHE A 1 69  ? -20.482 6.768   -7.723  1    23.39 ?  249 PHE A CG    1 
ATOM   546  C CD1   . PHE A 1 69  ? -20.423 6.468   -9.067  1    23.35 ?  249 PHE A CD1   1 
ATOM   547  C CD2   . PHE A 1 69  ? -20.795 5.747   -6.837  1    22.92 ?  249 PHE A CD2   1 
ATOM   548  C CE1   . PHE A 1 69  ? -20.691 5.192   -9.517  1    23.27 ?  249 PHE A CE1   1 
ATOM   549  C CE2   . PHE A 1 69  ? -21.081 4.47    -7.3    1    22.94 ?  249 PHE A CE2   1 
ATOM   550  C CZ    . PHE A 1 69  ? -20.995 4.198   -8.636  1    22.86 ?  249 PHE A CZ    1 
ATOM   551  N N     . THR A 1 70  ? -22.626 8.54    -5.177  1    27.94 ?  250 THR A N     1 
ATOM   552  C CA    . THR A 1 70  ? -23.645 7.928   -4.342  1    29.96 ?  250 THR A CA    1 
ATOM   553  C C     . THR A 1 70  ? -25     8.657   -4.419  1    31.3  ?  250 THR A C     1 
ATOM   554  O O     . THR A 1 70  ? -25.976 8.117   -3.906  1    32.29 ?  250 THR A O     1 
ATOM   555  C CB    . THR A 1 70  ? -23.16  7.743   -2.904  1    32.31 ?  250 THR A CB    1 
ATOM   556  O OG1   . THR A 1 70  ? -22.794 9.014   -2.384  1    33.8  ?  250 THR A OG1   1 
ATOM   557  C CG2   . THR A 1 70  ? -21.974 6.785   -2.808  1    32.91 ?  250 THR A CG2   1 
ATOM   558  N N     . THR A 1 71  ? -25.076 9.807   -5.113  1    32.11 ?  251 THR A N     1 
ATOM   559  C CA    . THR A 1 71  ? -26.352 10.512  -5.332  1    33.25 ?  251 THR A CA    1 
ATOM   560  C C     . THR A 1 71  ? -27.123 9.956   -6.533  1    32.74 ?  251 THR A C     1 
ATOM   561  O O     . THR A 1 71  ? -28.283 10.314  -6.714  1    33.75 ?  251 THR A O     1 
ATOM   562  C CB    . THR A 1 71  ? -26.168 12.025  -5.482  1    36.02 ?  251 THR A CB    1 
ATOM   563  O OG1   . THR A 1 71  ? -25.598 12.34   -6.759  1    38.69 ?  251 THR A OG1   1 
ATOM   564  C CG2   . THR A 1 71  ? -25.336 12.63   -4.369  1    36.93 ?  251 THR A CG2   1 
ATOM   565  N N     . LEU A 1 72  ? -26.478 9.15    -7.404  1    29.76 ?  252 LEU A N     1 
ATOM   566  C CA    . LEU A 1 72  ? -27.151 8.556   -8.546  1    28.07 ?  252 LEU A CA    1 
ATOM   567  C C     . LEU A 1 72  ? -28.073 7.467   -8.023  1    27.66 ?  252 LEU A C     1 
ATOM   568  O O     . LEU A 1 72  ? -27.904 6.998   -6.882  1    28.84 ?  252 LEU A O     1 
ATOM   569  C CB    . LEU A 1 72  ? -26.074 7.909   -9.481  1    27.22 ?  252 LEU A CB    1 
ATOM   570  C CG    . LEU A 1 72  ? -25.039 8.886   -10.025 1    27.3  ?  252 LEU A CG    1 
ATOM   571  C CD1   . LEU A 1 72  ? -23.963 8.135   -10.809 1    27.78 ?  252 LEU A CD1   1 
ATOM   572  C CD2   . LEU A 1 72  ? -25.708 9.96    -10.936 1    27.7  ?  252 LEU A CD2   1 
ATOM   573  N N     . THR A 1 73  ? -29.015 6.965   -8.856  1    26.37 ?  253 THR A N     1 
ATOM   574  C CA    . THR A 1 73  ? -29.849 5.844   -8.416  1    27.13 ?  253 THR A CA    1 
ATOM   575  C C     . THR A 1 73  ? -28.955 4.629   -8.178  1    28.15 ?  253 THR A C     1 
ATOM   576  O O     . THR A 1 73  ? -27.894 4.527   -8.817  1    27.87 ?  253 THR A O     1 
ATOM   577  C CB    . THR A 1 73  ? -30.917 5.527   -9.442  1    29.06 ?  253 THR A CB    1 
ATOM   578  O OG1   . THR A 1 73  ? -30.305 5.001   -10.622 1    29.48 ?  253 THR A OG1   1 
ATOM   579  C CG2   . THR A 1 73  ? -31.767 6.749   -9.772  1    29.62 ?  253 THR A CG2   1 
ATOM   580  N N     . ILE A 1 74  ? -29.353 3.72    -7.283  1    28.52 ?  254 ILE A N     1 
ATOM   581  C CA    . ILE A 1 74  ? -28.574 2.505   -7.033  1    28.89 ?  254 ILE A CA    1 
ATOM   582  C C     . ILE A 1 74  ? -28.432 1.691   -8.314  1    27.64 ?  254 ILE A C     1 
ATOM   583  O O     . ILE A 1 74  ? -27.324 1.215   -8.613  1    26.66 ?  254 ILE A O     1 
ATOM   584  C CB    . ILE A 1 74  ? -29.206 1.691   -5.878  1    31.25 ?  254 ILE A CB    1 
ATOM   585  C CG1   . ILE A 1 74  ? -29.111 2.479   -4.561  1    33.98 ?  254 ILE A CG1   1 
ATOM   586  C CG2   . ILE A 1 74  ? -28.566 0.299   -5.75   1    32.14 ?  254 ILE A CG2   1 
ATOM   587  C CD1   . ILE A 1 74  ? -27.713 2.726   -4.085  1    36.39 ?  254 ILE A CD1   1 
ATOM   588  N N     . ALA A 1 75  ? -29.498 1.651   -9.149  1    27.09 ?  255 ALA A N     1 
ATOM   589  C CA    . ALA A 1 75  ? -29.436 0.928   -10.43  1    26.8  ?  255 ALA A CA    1 
ATOM   590  C C     . ALA A 1 75  ? -28.32  1.499   -11.317 1    25.14 ?  255 ALA A C     1 
ATOM   591  O O     . ALA A 1 75  ? -27.559 0.734   -11.9   1    24.9  ?  255 ALA A O     1 
ATOM   592  C CB    . ALA A 1 75  ? -30.781 1.006   -11.157 1    27.78 ?  255 ALA A CB    1 
ATOM   593  N N     . ASP A 1 76  ? -28.21  2.826   -11.4   1    23.76 ?  256 ASP A N     1 
ATOM   594  C CA    . ASP A 1 76  ? -27.169 3.457   -12.221 1    23.67 ?  256 ASP A CA    1 
ATOM   595  C C     . ASP A 1 76  ? -25.793 3.295   -11.604 1    23.37 ?  256 ASP A C     1 
ATOM   596  O O     . ASP A 1 76  ? -24.83  3.123   -12.344 1    23.45 ?  256 ASP A O     1 
ATOM   597  C CB    . ASP A 1 76  ? -27.468 4.935   -12.471 1    26.17 ?  256 ASP A CB    1 
ATOM   598  C CG    . ASP A 1 76  ? -28.525 5.167   -13.546 1    29.87 ?  256 ASP A CG    1 
ATOM   599  O OD1   . ASP A 1 76  ? -28.988 4.153   -14.179 1    28.85 ?  256 ASP A OD1   1 
ATOM   600  O OD2   . ASP A 1 76  ? -28.854 6.352   -13.81  1    31.81 -1 256 ASP A OD2   1 
ATOM   601  N N     . GLN A 1 77  ? -25.675 3.306   -10.253 1    22.4  ?  257 GLN A N     1 
ATOM   602  C CA    . GLN A 1 77  ? -24.353 3.058   -9.63   1    21.37 ?  257 GLN A CA    1 
ATOM   603  C C     . GLN A 1 77  ? -23.87  1.665   -10.028 1    21.87 ?  257 GLN A C     1 
ATOM   604  O O     . GLN A 1 77  ? -22.704 1.514   -10.4   1    22.2  ?  257 GLN A O     1 
ATOM   605  C CB    . GLN A 1 77  ? -24.416 3.151   -8.092  1    23    ?  257 GLN A CB    1 
ATOM   606  C CG    . GLN A 1 77  ? -24.724 4.553   -7.623  1    24.42 ?  257 GLN A CG    1 
ATOM   607  C CD    . GLN A 1 77  ? -24.929 4.584   -6.141  1    27.1  ?  257 GLN A CD    1 
ATOM   608  O OE1   . GLN A 1 77  ? -24.204 3.951   -5.379  1    29.05 ?  257 GLN A OE1   1 
ATOM   609  N NE2   . GLN A 1 77  ? -25.911 5.326   -5.699  1    27.2  ?  257 GLN A NE2   1 
ATOM   610  N N     . ILE A 1 78  ? -24.79  0.676   -10.02  1    21.09 ?  258 ILE A N     1 
ATOM   611  C CA    . ILE A 1 78  ? -24.451 -0.694  -10.439 1    22.33 ?  258 ILE A CA    1 
ATOM   612  C C     . ILE A 1 78  ? -24.126 -0.798  -11.913 1    22.07 ?  258 ILE A C     1 
ATOM   613  O O     . ILE A 1 78  ? -23.136 -1.436  -12.298 1    21.39 ?  258 ILE A O     1 
ATOM   614  C CB    . ILE A 1 78  ? -25.598 -1.645  -10.058 1    24.49 ?  258 ILE A CB    1 
ATOM   615  C CG1   . ILE A 1 78  ? -25.704 -1.694  -8.545  1    26.93 ?  258 ILE A CG1   1 
ATOM   616  C CG2   . ILE A 1 78  ? -25.404 -3.053  -10.66  1    25.92 ?  258 ILE A CG2   1 
ATOM   617  C CD1   . ILE A 1 78  ? -27     -2.463  -8.06   1    29.06 ?  258 ILE A CD1   1 
ATOM   618  N N     . THR A 1 79  ? -24.934 -0.157  -12.783 1    21.23 ?  259 THR A N     1 
ATOM   619  C CA    . THR A 1 79  ? -24.667 -0.172  -14.22  1    20.56 ?  259 THR A CA    1 
ATOM   620  C C     . THR A 1 79  ? -23.277 0.427   -14.51  1    20.32 ?  259 THR A C     1 
ATOM   621  O O     . THR A 1 79  ? -22.54  -0.118  -15.331 1    21.86 ?  259 THR A O     1 
ATOM   622  C CB    . THR A 1 79  ? -25.77  0.652   -14.924 1    22.58 ?  259 THR A CB    1 
ATOM   623  O OG1   . THR A 1 79  ? -26.995 -0.08   -14.732 1    23.44 ?  259 THR A OG1   1 
ATOM   624  C CG2   . THR A 1 79  ? -25.497 0.845   -16.407 1    23.98 ?  259 THR A CG2   1 
ATOM   625  N N     . LEU A 1 80  ? -22.934 1.511   -13.829 1    19.03 ?  260 LEU A N     1 
ATOM   626  C CA    . LEU A 1 80  ? -21.65  2.167   -14.065 1    18.6  ?  260 LEU A CA    1 
ATOM   627  C C     . LEU A 1 80  ? -20.497 1.288   -13.591 1    18.97 ?  260 LEU A C     1 
ATOM   628  O O     . LEU A 1 80  ? -19.496 1.151   -14.296 1    19.99 ?  260 LEU A O     1 
ATOM   629  C CB    . LEU A 1 80  ? -21.578 3.515   -13.379 1    19.04 ?  260 LEU A CB    1 
ATOM   630  C CG    . LEU A 1 80  ? -22.506 4.587   -13.984 1    20.38 ?  260 LEU A CG    1 
ATOM   631  C CD1   . LEU A 1 80  ? -22.354 5.876   -13.189 1    21.5  ?  260 LEU A CD1   1 
ATOM   632  C CD2   . LEU A 1 80  ? -22.12  4.908   -15.446 1    19.58 ?  260 LEU A CD2   1 
ATOM   633  N N     . LEU A 1 81  ? -20.637 0.691   -12.375 1    19.23 ?  261 LEU A N     1 
ATOM   634  C CA    . LEU A 1 81  ? -19.57  -0.169  -11.863 1    19.19 ?  261 LEU A CA    1 
ATOM   635  C C     . LEU A 1 81  ? -19.375 -1.379  -12.72  1    20.24 ?  261 LEU A C     1 
ATOM   636  O O     . LEU A 1 81  ? -18.225 -1.75   -13.012 1    20.22 ?  261 LEU A O     1 
ATOM   637  C CB    . LEU A 1 81  ? -19.877 -0.569  -10.42  1    19.9  ?  261 LEU A CB    1 
ATOM   638  C CG    . LEU A 1 81  ? -19.589 0.504   -9.41   1    22.28 ?  261 LEU A CG    1 
ATOM   639  C CD1   . LEU A 1 81  ? -20.312 0.226   -8.157  1    22.65 ?  261 LEU A CD1   1 
ATOM   640  C CD2   . LEU A 1 81  ? -18.09  0.662   -9.178  1    24.2  ?  261 LEU A CD2   1 
ATOM   641  N N     . LYS A 1 82  ? -20.485 -2.002  -13.194 1    20.1  ?  262 LYS A N     1 
ATOM   642  C CA    . LYS A 1 82  ? -20.322 -3.199  -14.036 1    20.15 ?  262 LYS A CA    1 
ATOM   643  C C     . LYS A 1 82  ? -19.605 -2.846  -15.324 1    20.44 ?  262 LYS A C     1 
ATOM   644  O O     . LYS A 1 82  ? -18.73  -3.597  -15.789 1    22.58 ?  262 LYS A O     1 
ATOM   645  C CB    . LYS A 1 82  ? -21.683 -3.838  -14.366 1    22.04 ?  262 LYS A CB    1 
ATOM   646  C CG    . LYS A 1 82  ? -22.336 -4.49   -13.178 1    25.14 ?  262 LYS A CG    1 
ATOM   647  C CD    . LYS A 1 82  ? -23.779 -4.911  -13.493 1    29.31 ?  262 LYS A CD    1 
ATOM   648  C CE    . LYS A 1 82  ? -23.906 -5.867  -14.648 1    34.14 ?  262 LYS A CE    1 
ATOM   649  N NZ    . LYS A 1 82  ? -23.116 -7.105  -14.419 1    35.54 1  262 LYS A NZ    1 
ATOM   650  N N     . ALA A 1 83  ? -19.992 -1.718  -15.927 1    18.93 ?  263 ALA A N     1 
ATOM   651  C CA    . ALA A 1 83  ? -19.446 -1.333  -17.221 1    20.11 ?  263 ALA A CA    1 
ATOM   652  C C     . ALA A 1 83  ? -17.997 -0.915  -17.16  1    21.5  ?  263 ALA A C     1 
ATOM   653  O O     . ALA A 1 83  ? -17.285 -1.088  -18.158 1    23.66 ?  263 ALA A O     1 
ATOM   654  C CB    . ALA A 1 83  ? -20.281 -0.215  -17.82  1    20.3  ?  263 ALA A CB    1 
ATOM   655  N N     . ALA A 1 84  ? -17.543 -0.383  -16.012 1    20.95 ?  264 ALA A N     1 
ATOM   656  C CA    . ALA A 1 84  ? -16.17  0.072   -15.895 1    20.7  ?  264 ALA A CA    1 
ATOM   657  C C     . ALA A 1 84  ? -15.259 -0.879  -15.172 1    20.55 ?  264 ALA A C     1 
ATOM   658  O O     . ALA A 1 84  ? -14.081 -0.569  -15.069 1    21.47 ?  264 ALA A O     1 
ATOM   659  C CB    . ALA A 1 84  ? -16.138 1.376   -15.122 1    21.16 ?  264 ALA A CB    1 
ATOM   660  N N     . CYS A 1 85  ? -15.768 -2      -14.654 1    20.59 ?  265 CYS A N     1 
ATOM   661  C CA    A CYS A 1 85  ? -15.011 -2.972  -13.88  0.5  20.27 ?  265 CYS A CA    1 
ATOM   662  C CA    B CYS A 1 85  ? -14.937 -2.85   -13.803 0.5  22.7  ?  265 CYS A CA    1 
ATOM   663  C C     . CYS A 1 85  ? -13.666 -3.321  -14.486 1    21.72 ?  265 CYS A C     1 
ATOM   664  O O     . CYS A 1 85  ? -12.615 -3.095  -13.87  1    21.38 ?  265 CYS A O     1 
ATOM   665  C CB    A CYS A 1 85  ? -15.844 -4.223  -13.636 0.5  18.13 ?  265 CYS A CB    1 
ATOM   666  C CB    B CYS A 1 85  ? -15.715 -3.996  -13.176 0.5  26.61 ?  265 CYS A CB    1 
ATOM   667  S SG    A CYS A 1 85  ? -15.008 -5.435  -12.579 0.5  18.86 ?  265 CYS A SG    1 
ATOM   668  S SG    B CYS A 1 85  ? -16.75  -4.901  -14.33  0.5  38.48 ?  265 CYS A SG    1 
ATOM   669  N N     . LEU A 1 86  ? -13.711 -3.839  -15.723 1    22.61 ?  266 LEU A N     1 
ATOM   670  C CA    . LEU A 1 86  ? -12.454 -4.251  -16.361 1    23.05 ?  266 LEU A CA    1 
ATOM   671  C C     . LEU A 1 86  ? -11.587 -3.093  -16.675 1    23.5  ?  266 LEU A C     1 
ATOM   672  O O     . LEU A 1 86  ? -10.371 -3.214  -16.561 1    24.64 ?  266 LEU A O     1 
ATOM   673  C CB    . LEU A 1 86  ? -12.636 -5.139  -17.601 1    23.8  ?  266 LEU A CB    1 
ATOM   674  C CG    . LEU A 1 86  ? -13.272 -6.463  -17.321 1    26.16 ?  266 LEU A CG    1 
ATOM   675  C CD1   . LEU A 1 86  ? -13.409 -7.245  -18.628 1    26.74 ?  266 LEU A CD1   1 
ATOM   676  C CD2   . LEU A 1 86  ? -12.421 -7.301  -16.328 1    27.27 ?  266 LEU A CD2   1 
ATOM   677  N N     . ASP A 1 87  ? -12.162 -1.937  -17.069 1    22.71 ?  267 ASP A N     1 
ATOM   678  C CA    . ASP A 1 87  ? -11.35  -0.746  -17.349 1    22.35 ?  267 ASP A CA    1 
ATOM   679  C C     . ASP A 1 87  ? -10.509 -0.386  -16.093 1    21.02 ?  267 ASP A C     1 
ATOM   680  O O     . ASP A 1 87  ? -9.311  -0.138  -16.221 1    21.22 ?  267 ASP A O     1 
ATOM   681  C CB    . ASP A 1 87  ? -12.233 0.483   -17.611 1    25.12 ?  267 ASP A CB    1 
ATOM   682  C CG    . ASP A 1 87  ? -13.055 0.594   -18.887 1    36.07 ?  267 ASP A CG    1 
ATOM   683  O OD1   . ASP A 1 87  ? -12.773 -0.148  -19.844 1    37.51 ?  267 ASP A OD1   1 
ATOM   684  O OD2   . ASP A 1 87  ? -13.965 1.471   -18.937 1    40.95 -1 267 ASP A OD2   1 
ATOM   685  N N     . ILE A 1 88  ? -11.156 -0.25   -14.898 1    18.84 ?  268 ILE A N     1 
ATOM   686  C CA    . ILE A 1 88  ? -10.411 0.19    -13.724 1    18.82 ?  268 ILE A CA    1 
ATOM   687  C C     . ILE A 1 88  ? -9.423  -0.886  -13.259 1    18.34 ?  268 ILE A C     1 
ATOM   688  O O     . ILE A 1 88  ? -8.312  -0.55   -12.908 1    20.22 ?  268 ILE A O     1 
ATOM   689  C CB    . ILE A 1 88  ? -11.373 0.636   -12.613 1    20.02 ?  268 ILE A CB    1 
ATOM   690  C CG1   . ILE A 1 88  ? -12.124 1.885   -13.144 1    22.47 ?  268 ILE A CG1   1 
ATOM   691  C CG2   . ILE A 1 88  ? -10.647 0.948   -11.316 1    20.81 ?  268 ILE A CG2   1 
ATOM   692  C CD1   . ILE A 1 88  ? -13.26  2.328   -12.27  1    24.33 ?  268 ILE A CD1   1 
ATOM   693  N N     . LEU A 1 89  ? -9.816  -2.164  -13.293 1    18.55 ?  269 LEU A N     1 
ATOM   694  C CA    . LEU A 1 89  ? -8.892  -3.228  -12.859 1    18.33 ?  269 LEU A CA    1 
ATOM   695  C C     . LEU A 1 89  ? -7.658  -3.235  -13.786 1    18.04 ?  269 LEU A C     1 
ATOM   696  O O     . LEU A 1 89  ? -6.524  -3.275  -13.295 1    17.35 ?  269 LEU A O     1 
ATOM   697  C CB    . LEU A 1 89  ? -9.591  -4.581  -12.89  1    19.3  ?  269 LEU A CB    1 
ATOM   698  C CG    . LEU A 1 89  ? -10.184 -5.123  -11.558 1    21.24 ?  269 LEU A CG    1 
ATOM   699  C CD1   . LEU A 1 89  ? -11.077 -4.078  -10.858 1    23.39 ?  269 LEU A CD1   1 
ATOM   700  C CD2   . LEU A 1 89  ? -10.945 -6.413  -11.817 1    20.79 ?  269 LEU A CD2   1 
ATOM   701  N N     . ILE A 1 90  ? -7.901  -3.133  -15.122 1    18.48 ?  270 ILE A N     1 
ATOM   702  C CA    . ILE A 1 90  ? -6.766  -3.137  -16.061 1    18.64 ?  270 ILE A CA    1 
ATOM   703  C C     . ILE A 1 90  ? -5.878  -1.924  -15.852 1    18.86 ?  270 ILE A C     1 
ATOM   704  O O     . ILE A 1 90  ? -4.653  -2.058  -15.802 1    20.22 ?  270 ILE A O     1 
ATOM   705  C CB    . ILE A 1 90  ? -7.269  -3.291  -17.493 1    20.66 ?  270 ILE A CB    1 
ATOM   706  C CG1   . ILE A 1 90  ? -7.845  -4.722  -17.637 1    22.92 ?  270 ILE A CG1   1 
ATOM   707  C CG2   . ILE A 1 90  ? -6.155  -3.044  -18.511 1    22.21 ?  270 ILE A CG2   1 
ATOM   708  C CD1   . ILE A 1 90  ? -8.624  -5.001  -18.958 1    25.08 ?  270 ILE A CD1   1 
ATOM   709  N N     . LEU A 1 91  ? -6.477  -0.717  -15.688 1    18.66 ?  271 LEU A N     1 
ATOM   710  C CA    . LEU A 1 91  ? -5.639  0.479   -15.438 1    18.82 ?  271 LEU A CA    1 
ATOM   711  C C     . LEU A 1 91  ? -4.785  0.294   -14.175 1    19.22 ?  271 LEU A C     1 
ATOM   712  O O     . LEU A 1 91  ? -3.615  0.654   -14.161 1    19.33 ?  271 LEU A O     1 
ATOM   713  C CB    . LEU A 1 91  ? -6.551  1.697   -15.288 1    19.62 ?  271 LEU A CB    1 
ATOM   714  C CG    . LEU A 1 91  ? -5.895  3.02    -14.907 1    20.87 ?  271 LEU A CG    1 
ATOM   715  C CD1   . LEU A 1 91  ? -4.783  3.398   -15.954 1    20.92 ?  271 LEU A CD1   1 
ATOM   716  C CD2   . LEU A 1 91  ? -6.982  4.099   -14.839 1    22.5  ?  271 LEU A CD2   1 
ATOM   717  N N     . ARG A 1 92  ? -5.392  -0.268  -13.105 1    18.64 ?  272 ARG A N     1 
ATOM   718  C CA    . ARG A 1 92  ? -4.681  -0.491  -11.867 1    17.66 ?  272 ARG A CA    1 
ATOM   719  C C     . ARG A 1 92  ? -3.51   -1.472  -11.996 1    17.77 ?  272 ARG A C     1 
ATOM   720  O O     . ARG A 1 92  ? -2.406  -1.132  -11.536 1    18.36 ?  272 ARG A O     1 
ATOM   721  C CB    . ARG A 1 92  ? -5.671  -0.953  -10.781 1    18.14 ?  272 ARG A CB    1 
ATOM   722  C CG    . ARG A 1 92  ? -6.464  0.238   -10.256 1    18.64 ?  272 ARG A CG    1 
ATOM   723  C CD    . ARG A 1 92  ? -7.542  -0.211  -9.271  1    20.49 ?  272 ARG A CD    1 
ATOM   724  N NE    . ARG A 1 92  ? -8.106  0.95    -8.6    1    21.91 ?  272 ARG A NE    1 
ATOM   725  C CZ    . ARG A 1 92  ? -8.247  1.074   -7.279  1    22.97 ?  272 ARG A CZ    1 
ATOM   726  N NH1   . ARG A 1 92  ? -7.927  0.064   -6.469  1    17.51 1  272 ARG A NH1   1 
ATOM   727  N NH2   . ARG A 1 92  ? -8.667  2.219   -6.758  1    24.11 ?  272 ARG A NH2   1 
ATOM   728  N N     . ILE A 1 93  ? -3.732  -2.634  -12.639 1    16    ?  273 ILE A N     1 
ATOM   729  C CA    . ILE A 1 93  ? -2.595  -3.593  -12.737 1    16.99 ?  273 ILE A CA    1 
ATOM   730  C C     . ILE A 1 93  ? -1.498  -3.014  -13.636 1    17.91 ?  273 ILE A C     1 
ATOM   731  O O     . ILE A 1 93  ? -0.309  -3.154  -13.343 1    19.29 ?  273 ILE A O     1 
ATOM   732  C CB    . ILE A 1 93  ? -3.046  -5.018  -13.13  1    17.62 ?  273 ILE A CB    1 
ATOM   733  C CG1   . ILE A 1 93  ? -1.93   -6.069  -12.919 1    17.7  ?  273 ILE A CG1   1 
ATOM   734  C CG2   . ILE A 1 93  ? -3.572  -5.12   -14.551 1    19.1  ?  273 ILE A CG2   1 
ATOM   735  C CD1   . ILE A 1 93  ? -1.446  -6.136  -11.481 1    20.12 ?  273 ILE A CD1   1 
ATOM   736  N N     . CYS A 1 94  ? -1.917  -2.306  -14.704 1    17.26 ?  274 CYS A N     1 
ATOM   737  C CA    . CYS A 1 94  ? -0.921  -1.693  -15.617 1    17.5  ?  274 CYS A CA    1 
ATOM   738  C C     . CYS A 1 94  ? -0.147  -0.564  -14.984 1    18.61 ?  274 CYS A C     1 
ATOM   739  O O     . CYS A 1 94  ? 0.94    -0.229  -15.463 1    21.22 ?  274 CYS A O     1 
ATOM   740  C CB    . CYS A 1 94  ? -1.611  -1.219  -16.885 1    18.24 ?  274 CYS A CB    1 
ATOM   741  S SG    . CYS A 1 94  ? -2.189  -2.562  -17.928 1    21.32 ?  274 CYS A SG    1 
ATOM   742  N N     . THR A 1 95  ? -0.706  0.077   -13.953 1    17.77 ?  275 THR A N     1 
ATOM   743  C CA    . THR A 1 95  ? 0.031   1.111   -13.235 1    18.94 ?  275 THR A CA    1 
ATOM   744  C C     . THR A 1 95  ? 1.257   0.516   -12.533 1    21.76 ?  275 THR A C     1 
ATOM   745  O O     . THR A 1 95  ? 2.268   1.217   -12.359 1    25.52 ?  275 THR A O     1 
ATOM   746  C CB    . THR A 1 95  ? -0.914  1.843   -12.3   1    20.57 ?  275 THR A CB    1 
ATOM   747  O OG1   . THR A 1 95  ? -1.893  2.471   -13.148 1    22.29 ?  275 THR A OG1   1 
ATOM   748  C CG2   . THR A 1 95  ? -0.188  2.919   -11.509 1    20.56 ?  275 THR A CG2   1 
ATOM   749  N N     . ARG A 1 96  ? 1.2     -0.75   -12.165 1    19.24 ?  276 ARG A N     1 
ATOM   750  C CA    . ARG A 1 96  ? 2.289   -1.401  -11.48  1    18.47 ?  276 ARG A CA    1 
ATOM   751  C C     . ARG A 1 96  ? 3.149   -2.223  -12.415 1    19.6  ?  276 ARG A C     1 
ATOM   752  O O     . ARG A 1 96  ? 3.613   -3.294  -12.064 1    19.87 ?  276 ARG A O     1 
ATOM   753  C CB    . ARG A 1 96  ? 1.771   -2.245  -10.317 1    20.08 ?  276 ARG A CB    1 
ATOM   754  C CG    . ARG A 1 96  ? 0.985   -1.43   -9.301  1    19.38 ?  276 ARG A CG    1 
ATOM   755  C CD    . ARG A 1 96  ? 1.099   -2.06   -7.924  1    17.74 ?  276 ARG A CD    1 
ATOM   756  N NE    . ARG A 1 96  ? -0.004  -1.678  -7.048  1    16.92 ?  276 ARG A NE    1 
ATOM   757  C CZ    . ARG A 1 96  ? -1.168  -2.315  -6.984  1    19.33 ?  276 ARG A CZ    1 
ATOM   758  N NH1   . ARG A 1 96  ? -1.412  -3.353  -7.779  1    15.75 1  276 ARG A NH1   1 
ATOM   759  N NH2   . ARG A 1 96  ? -2.122  -1.888  -6.156  1    21.16 ?  276 ARG A NH2   1 
ATOM   760  N N     . TYR A 1 97  ? 3.483   -1.652  -13.57  1    19.53 ?  277 TYR A N     1 
ATOM   761  C CA    . TYR A 1 97  ? 4.345   -2.373  -14.534 1    20.07 ?  277 TYR A CA    1 
ATOM   762  C C     . TYR A 1 97  ? 5.818   -2.03   -14.334 1    20.96 ?  277 TYR A C     1 
ATOM   763  O O     . TYR A 1 97  ? 6.154   -0.871  -14.136 1    21.73 ?  277 TYR A O     1 
ATOM   764  C CB    . TYR A 1 97  ? 3.879   -1.935  -15.93  1    20.61 ?  277 TYR A CB    1 
ATOM   765  C CG    . TYR A 1 97  ? 4.694   -2.518  -17.065 1    21.06 ?  277 TYR A CG    1 
ATOM   766  C CD1   . TYR A 1 97  ? 4.681   -3.88   -17.328 1    22.14 ?  277 TYR A CD1   1 
ATOM   767  C CD2   . TYR A 1 97  ? 5.416   -1.701  -17.913 1    22.76 ?  277 TYR A CD2   1 
ATOM   768  C CE1   . TYR A 1 97  ? 5.425   -4.424  -18.37  1    23.97 ?  277 TYR A CE1   1 
ATOM   769  C CE2   . TYR A 1 97  ? 6.142   -2.227  -18.971 1    24.31 ?  277 TYR A CE2   1 
ATOM   770  C CZ    . TYR A 1 97  ? 6.173   -3.587  -19.177 1    24.94 ?  277 TYR A CZ    1 
ATOM   771  O OH    . TYR A 1 97  ? 6.921   -4.092  -20.216 1    27.25 ?  277 TYR A OH    1 
ATOM   772  N N     . THR A 1 98  ? 6.698   -3.05   -14.367 1    22.16 ?  278 THR A N     1 
ATOM   773  C CA    . THR A 1 98  ? 8.16    -2.882  -14.3   1    23.46 ?  278 THR A CA    1 
ATOM   774  C C     . THR A 1 98  ? 8.706   -3.318  -15.669 1    24.68 ?  278 THR A C     1 
ATOM   775  O O     . THR A 1 98  ? 8.668   -4.485  -15.975 1    24.65 ?  278 THR A O     1 
ATOM   776  C CB    . THR A 1 98  ? 8.723   -3.746  -13.195 1    25.26 ?  278 THR A CB    1 
ATOM   777  O OG1   . THR A 1 98  ? 8.119   -3.36   -11.948 1    23.2  ?  278 THR A OG1   1 
ATOM   778  C CG2   . THR A 1 98  ? 10.227  -3.604  -13.084 1    26.09 ?  278 THR A CG2   1 
ATOM   779  N N     . PRO A 1 99  ? 9.181   -2.383  -16.503 1    26.38 ?  279 PRO A N     1 
ATOM   780  C CA    . PRO A 1 99  ? 9.544   -2.748  -17.892 1    28.54 ?  279 PRO A CA    1 
ATOM   781  C C     . PRO A 1 99  ? 10.762  -3.648  -18.078 1    29.87 ?  279 PRO A C     1 
ATOM   782  O O     . PRO A 1 99  ? 10.725  -4.539  -18.93  1    30.96 ?  279 PRO A O     1 
ATOM   783  C CB    . PRO A 1 99  ? 9.748   -1.399  -18.598 1    29.76 ?  279 PRO A CB    1 
ATOM   784  C CG    . PRO A 1 99  ? 9.848   -0.39   -17.529 1    30.4  ?  279 PRO A CG    1 
ATOM   785  C CD    . PRO A 1 99  ? 9.15    -0.929  -16.295 1    27.68 ?  279 PRO A CD    1 
ATOM   786  N N     . GLU A 1 100 ? 11.803  -3.467  -17.273 1    30.65 ?  280 GLU A N     1 
ATOM   787  C CA    . GLU A 1 100 ? 13.044  -4.256  -17.418 1    32.86 ?  280 GLU A CA    1 
ATOM   788  C C     . GLU A 1 100 ? 12.787  -5.757  -17.323 1    32.23 ?  280 GLU A C     1 
ATOM   789  O O     . GLU A 1 100 ? 13.316  -6.545  -18.127 1    33.18 ?  280 GLU A O     1 
ATOM   790  C CB    . GLU A 1 100 ? 14.066  -3.82   -16.344 1    36.61 ?  280 GLU A CB    1 
ATOM   791  N N     . GLN A 1 101 ? 11.977  -6.161  -16.339 1    29.96 ?  281 GLN A N     1 
ATOM   792  C CA    . GLN A 1 101 ? 11.603  -7.558  -16.185 1    29.24 ?  281 GLN A CA    1 
ATOM   793  C C     . GLN A 1 101 ? 10.256  -7.899  -16.861 1    27.12 ?  281 GLN A C     1 
ATOM   794  O O     . GLN A 1 101 ? 9.874   -9.081  -16.888 1    27.74 ?  281 GLN A O     1 
ATOM   795  C CB    . GLN A 1 101 ? 11.552  -7.962  -14.718 1    32.39 ?  281 GLN A CB    1 
ATOM   796  C CG    . GLN A 1 101 ? 12.938  -8.199  -14.134 1    40.05 ?  281 GLN A CG    1 
ATOM   797  C CD    . GLN A 1 101 ? 13.452  -6.908  -13.596 1    49.45 ?  281 GLN A CD    1 
ATOM   798  O OE1   . GLN A 1 101 ? 12.75   -6.211  -12.847 1    52.92 ?  281 GLN A OE1   1 
ATOM   799  N NE2   . GLN A 1 101 ? 14.666  -6.544  -13.997 1    51.47 ?  281 GLN A NE2   1 
ATOM   800  N N     . ASP A 1 102 ? 9.535   -6.883  -17.373 1    24.76 ?  282 ASP A N     1 
ATOM   801  C CA    . ASP A 1 102 ? 8.262   -7.063  -18.07  1    22.79 ?  282 ASP A CA    1 
ATOM   802  C C     . ASP A 1 102 ? 7.26    -7.767  -17.149 1    20.65 ?  282 ASP A C     1 
ATOM   803  O O     . ASP A 1 102 ? 6.727   -8.84   -17.457 1    20.58 ?  282 ASP A O     1 
ATOM   804  C CB    . ASP A 1 102 ? 8.508   -7.818  -19.386 1    24.2  ?  282 ASP A CB    1 
ATOM   805  C CG    . ASP A 1 102 ? 7.39    -7.776  -20.377 1    27.37 ?  282 ASP A CG    1 
ATOM   806  O OD1   . ASP A 1 102 ? 6.744   -6.701  -20.509 1    26.23 ?  282 ASP A OD1   1 
ATOM   807  O OD2   . ASP A 1 102 ? 7.174   -8.797  -21.047 1    29.83 -1 282 ASP A OD2   1 
ATOM   808  N N     . THR A 1 103 ? 7.087   -7.174  -15.976 1    19.27 ?  283 THR A N     1 
ATOM   809  C CA    . THR A 1 103 ? 6.18    -7.758  -14.978 1    18.51 ?  283 THR A CA    1 
ATOM   810  C C     . THR A 1 103 ? 5.121   -6.783  -14.549 1    18.39 ?  283 THR A C     1 
ATOM   811  O O     . THR A 1 103 ? 5.294   -5.558  -14.641 1    19.13 ?  283 THR A O     1 
ATOM   812  C CB    . THR A 1 103 ? 6.968   -8.191  -13.681 1    20.32 ?  283 THR A CB    1 
ATOM   813  O OG1   . THR A 1 103 ? 7.562   -7.034  -13.081 1    21.97 ?  283 THR A OG1   1 
ATOM   814  C CG2   . THR A 1 103 ? 8.082   -9.198  -13.962 1    23.31 ?  283 THR A CG2   1 
ATOM   815  N N     . MET A 1 104 ? 4.03    -7.323  -13.987 1    18.65 ?  284 MET A N     1 
ATOM   816  C CA    . MET A 1 104 ? 3.031   -6.462  -13.33  1    18.79 ?  284 MET A CA    1 
ATOM   817  C C     . MET A 1 104 ? 2.922   -6.946  -11.873 1    18.32 ?  284 MET A C     1 
ATOM   818  O O     . MET A 1 104 ? 3.08    -8.143  -11.591 1    18.92 ?  284 MET A O     1 
ATOM   819  C CB    . MET A 1 104 ? 1.694   -6.537  -14.059 1    21.12 ?  284 MET A CB    1 
ATOM   820  C CG    . MET A 1 104 ? 1.861   -6.008  -15.469 1    23.37 ?  284 MET A CG    1 
ATOM   821  S SD    . MET A 1 104 ? 0.333   -5.478  -16.214 1    26.67 ?  284 MET A SD    1 
ATOM   822  C CE    . MET A 1 104 ? 0.921   -5.191  -17.914 1    22.26 ?  284 MET A CE    1 
ATOM   823  N N     . THR A 1 105 ? 2.702   -5.994  -10.941 1    17.49 ?  285 THR A N     1 
ATOM   824  C CA    . THR A 1 105 ? 2.604   -6.358  -9.524  1    16.92 ?  285 THR A CA    1 
ATOM   825  C C     . THR A 1 105 ? 1.221   -6.106  -8.971  1    17.63 ?  285 THR A C     1 
ATOM   826  O O     . THR A 1 105 ? 0.673   -5.036  -9.175  1    18.22 ?  285 THR A O     1 
ATOM   827  C CB    . THR A 1 105 ? 3.638   -5.548  -8.702  1    16.81 ?  285 THR A CB    1 
ATOM   828  O OG1   . THR A 1 105 ? 4.944   -5.969  -9.132  1    18.4  ?  285 THR A OG1   1 
ATOM   829  C CG2   . THR A 1 105 ? 3.501   -5.792  -7.186  1    18.01 ?  285 THR A CG2   1 
ATOM   830  N N     . PHE A 1 106 ? 0.636   -7.127  -8.299  1    17.11 ?  286 PHE A N     1 
ATOM   831  C CA    . PHE A 1 106 ? -0.698  -7.055  -7.703  1    17.3  ?  286 PHE A CA    1 
ATOM   832  C C     . PHE A 1 106 ? -0.624  -6.406  -6.319  1    17.3  ?  286 PHE A C     1 
ATOM   833  O O     . PHE A 1 106 ? 0.445   -6.185  -5.807  1    18.95 ?  286 PHE A O     1 
ATOM   834  C CB    . PHE A 1 106 ? -1.323  -8.438  -7.646  1    17.27 ?  286 PHE A CB    1 
ATOM   835  C CG    . PHE A 1 106 ? -1.597  -8.986  -9.027  1    17.83 ?  286 PHE A CG    1 
ATOM   836  C CD1   . PHE A 1 106 ? -0.586  -9.592  -9.772  1    19.46 ?  286 PHE A CD1   1 
ATOM   837  C CD2   . PHE A 1 106 ? -2.834  -8.829  -9.612  1    19.18 ?  286 PHE A CD2   1 
ATOM   838  C CE1   . PHE A 1 106 ? -0.85   -10.063 -11.064 1    20.43 ?  286 PHE A CE1   1 
ATOM   839  C CE2   . PHE A 1 106 ? -3.102  -9.333  -10.876 1    19.79 ?  286 PHE A CE2   1 
ATOM   840  C CZ    . PHE A 1 106 ? -2.106  -9.935  -11.595 1    20.64 ?  286 PHE A CZ    1 
ATOM   841  N N     A SER A 1 107 ? -1.815  -6.128  -5.722  0.57 17.11 ?  287 SER A N     1 
ATOM   842  N N     B SER A 1 107 ? -1.768  -6.036  -5.761  0.43 17.7  ?  287 SER A N     1 
ATOM   843  C CA    A SER A 1 107 ? -1.962  -5.39   -4.468  0.57 17.57 ?  287 SER A CA    1 
ATOM   844  C CA    B SER A 1 107 ? -1.816  -5.291  -4.513  0.43 18.35 ?  287 SER A CA    1 
ATOM   845  C C     A SER A 1 107 ? -1.469  -6.079  -3.215  0.57 18.46 ?  287 SER A C     1 
ATOM   846  C C     B SER A 1 107 ? -1.17   -5.98   -3.32   0.43 18.73 ?  287 SER A C     1 
ATOM   847  O O     A SER A 1 107 ? -1.474  -5.457  -2.127  0.57 18.14 ?  287 SER A O     1 
ATOM   848  O O     B SER A 1 107 ? -0.813  -5.275  -2.361  0.43 18.61 ?  287 SER A O     1 
ATOM   849  C CB    A SER A 1 107 ? -3.402  -4.968  -4.269  0.57 18.52 ?  287 SER A CB    1 
ATOM   850  C CB    B SER A 1 107 ? -3.25   -4.917  -4.191  0.43 20.3  ?  287 SER A CB    1 
ATOM   851  O OG    A SER A 1 107 ? -3.744  -4.03   -5.27   0.57 19.31 ?  287 SER A OG    1 
ATOM   852  O OG    B SER A 1 107 ? -4.034  -6.096  -4.212  0.43 23.29 ?  287 SER A OG    1 
ATOM   853  N N     . ASP A 1 108 ? -1.042  -7.333  -3.335  1    18.08 ?  288 ASP A N     1 
ATOM   854  C CA    . ASP A 1 108 ? -0.415  -8.002  -2.196  1    17.71 ?  288 ASP A CA    1 
ATOM   855  C C     . ASP A 1 108 ? 1.116   -8.163  -2.419  1    19.27 ?  288 ASP A C     1 
ATOM   856  O O     . ASP A 1 108 ? 1.764   -8.807  -1.59   1    20.68 ?  288 ASP A O     1 
ATOM   857  C CB    . ASP A 1 108 ? -1.067  -9.368  -1.935  1    19.95 ?  288 ASP A CB    1 
ATOM   858  C CG    . ASP A 1 108 ? -0.647  -10.431 -2.935  1    23.86 ?  288 ASP A CG    1 
ATOM   859  O OD1   . ASP A 1 108 ? -0.264  -10.059 -4.067  1    21.63 ?  288 ASP A OD1   1 
ATOM   860  O OD2   . ASP A 1 108 ? -0.633  -11.633 -2.558  1    28.66 -1 288 ASP A OD2   1 
ATOM   861  N N     . GLY A 1 109 ? 1.663   -7.642  -3.528  1    16.98 ?  289 GLY A N     1 
ATOM   862  C CA    . GLY A 1 109 ? 3.057   -7.817  -3.88   1    17.59 ?  289 GLY A CA    1 
ATOM   863  C C     . GLY A 1 109 ? 3.31    -8.866  -4.94   1    18.99 ?  289 GLY A C     1 
ATOM   864  O O     . GLY A 1 109 ? 4.4     -8.887  -5.513  1    19.99 ?  289 GLY A O     1 
ATOM   865  N N     . LEU A 1 110 ? 2.346   -9.758  -5.24   1    18.42 ?  290 LEU A N     1 
ATOM   866  C CA    . LEU A 1 110 ? 2.615   -10.822 -6.248  1    17.62 ?  290 LEU A CA    1 
ATOM   867  C C     . LEU A 1 110 ? 3.02    -10.213 -7.575  1    18.01 ?  290 LEU A C     1 
ATOM   868  O O     . LEU A 1 110 ? 2.334   -9.315  -8.042  1    18.32 ?  290 LEU A O     1 
ATOM   869  C CB    . LEU A 1 110 ? 1.39    -11.71  -6.434  1    18.45 ?  290 LEU A CB    1 
ATOM   870  C CG    . LEU A 1 110 ? 1.528   -12.763 -7.525  1    19.88 ?  290 LEU A CG    1 
ATOM   871  C CD1   . LEU A 1 110 ? 2.579   -13.807 -7.122  1    20.33 ?  290 LEU A CD1   1 
ATOM   872  C CD2   . LEU A 1 110 ? 0.191   -13.4   -7.805  1    20.12 ?  290 LEU A CD2   1 
ATOM   873  N N     . THR A 1 111 ? 4.149   -10.628 -8.112  1    18.22 ?  291 THR A N     1 
ATOM   874  C CA    . THR A 1 111 ? 4.683   -10.038 -9.316  1    17.96 ?  291 THR A CA    1 
ATOM   875  C C     . THR A 1 111 ? 4.79    -11.128 -10.335 1    19.45 ?  291 THR A C     1 
ATOM   876  O O     . THR A 1 111 ? 5.483   -12.14  -10.077 1    19.45 ?  291 THR A O     1 
ATOM   877  C CB    . THR A 1 111 ? 6.024   -9.358  -8.992  1    19.15 ?  291 THR A CB    1 
ATOM   878  O OG1   . THR A 1 111 ? 5.787   -8.302  -8.037  1    19.59 ?  291 THR A OG1   1 
ATOM   879  C CG2   . THR A 1 111 ? 6.687   -8.776  -10.215 1    19.47 ?  291 THR A CG2   1 
ATOM   880  N N     . LEU A 1 112 ? 4.047   -10.962 -11.441 1    19.78 ?  292 LEU A N     1 
ATOM   881  C CA    . LEU A 1 112 ? 3.983   -11.945 -12.514 1    19.22 ?  292 LEU A CA    1 
ATOM   882  C C     . LEU A 1 112 ? 4.6     -11.425 -13.78  1    19.08 ?  292 LEU A C     1 
ATOM   883  O O     . LEU A 1 112 ? 4.382   -10.275 -14.151 1    19.64 ?  292 LEU A O     1 
ATOM   884  C CB    . LEU A 1 112 ? 2.529   -12.364 -12.827 1    19.07 ?  292 LEU A CB    1 
ATOM   885  C CG    . LEU A 1 112 ? 1.712   -12.965 -11.696 1    20.38 ?  292 LEU A CG    1 
ATOM   886  C CD1   . LEU A 1 112 ? 0.377   -13.491 -12.232 1    21.01 ?  292 LEU A CD1   1 
ATOM   887  C CD2   . LEU A 1 112 ? 2.439   -14.135 -11.001 1    21.83 ?  292 LEU A CD2   1 
ATOM   888  N N     . ASN A 1 113 ? 5.347   -12.297 -14.471 1    18.67 ?  293 ASN A N     1 
ATOM   889  C CA    . ASN A 1 113 ? 5.899   -11.925 -15.75  1    19.77 ?  293 ASN A CA    1 
ATOM   890  C C     . ASN A 1 113 ? 4.85    -12.1   -16.872 1    20.33 ?  293 ASN A C     1 
ATOM   891  O O     . ASN A 1 113 ? 3.715   -12.498 -16.605 1    21.56 ?  293 ASN A O     1 
ATOM   892  C CB    . ASN A 1 113 ? 7.203   -12.722 -16.023 1    20.75 ?  293 ASN A CB    1 
ATOM   893  C CG    . ASN A 1 113 ? 7.032   -14.184 -16.236 1    24.23 ?  293 ASN A CG    1 
ATOM   894  O OD1   . ASN A 1 113 ? 5.973   -14.687 -16.605 1    22.89 ?  293 ASN A OD1   1 
ATOM   895  N ND2   . ASN A 1 113 ? 8.112   -14.947 -16.029 1    26.92 ?  293 ASN A ND2   1 
ATOM   896  N N     . ARG A 1 114 ? 5.195   -11.729 -18.125 1    20.42 ?  294 ARG A N     1 
ATOM   897  C CA    . ARG A 1 114 ? 4.213   -11.791 -19.217 1    20.95 ?  294 ARG A CA    1 
ATOM   898  C C     . ARG A 1 114 ? 3.67    -13.176 -19.44  1    21.56 ?  294 ARG A C     1 
ATOM   899  O O     . ARG A 1 114 ? 2.467   -13.333 -19.649 1    22.71 ?  294 ARG A O     1 
ATOM   900  C CB    . ARG A 1 114 ? 4.833   -11.222 -20.517 1    21.44 ?  294 ARG A CB    1 
ATOM   901  C CG    . ARG A 1 114 ? 3.802   -10.989 -21.628 1    23.78 ?  294 ARG A CG    1 
ATOM   902  C CD    . ARG A 1 114 ? 4.423   -10.46  -22.93  1    23.03 ?  294 ARG A CD    1 
ATOM   903  N NE    . ARG A 1 114 ? 5.032   -9.145  -22.764 1    24.24 ?  294 ARG A NE    1 
ATOM   904  C CZ    . ARG A 1 114 ? 4.69    -8.056  -23.448 1    24.57 ?  294 ARG A CZ    1 
ATOM   905  N NH1   . ARG A 1 114 ? 3.768   -8.124  -24.402 1    23.14 1  294 ARG A NH1   1 
ATOM   906  N NH2   . ARG A 1 114 ? 5.284   -6.891  -23.198 1    25.25 ?  294 ARG A NH2   1 
ATOM   907  N N     . THR A 1 115 ? 4.55    -14.222 -19.379 1    21.59 ?  295 THR A N     1 
ATOM   908  C CA    . THR A 1 115 ? 4.052   -15.58  -19.553 1    21.68 ?  295 THR A CA    1 
ATOM   909  C C     . THR A 1 115 ? 3.07    -15.97  -18.442 1    21.63 ?  295 THR A C     1 
ATOM   910  O O     . THR A 1 115 ? 2.046   -16.585 -18.694 1    22.19 ?  295 THR A O     1 
ATOM   911  C CB    . THR A 1 115 ? 5.246   -16.547 -19.57  1    24.62 ?  295 THR A CB    1 
ATOM   912  O OG1   . THR A 1 115 ? 6.009   -16.236 -20.739 1    28.02 ?  295 THR A OG1   1 
ATOM   913  C CG2   . THR A 1 115 ? 4.807   -17.998 -19.555 1    24.61 ?  295 THR A CG2   1 
ATOM   914  N N     . GLN A 1 116 ? 3.371   -15.595 -17.192 1    20.31 ?  296 GLN A N     1 
ATOM   915  C CA    . GLN A 1 116 ? 2.515   -15.941 -16.068 1    19.85 ?  296 GLN A CA    1 
ATOM   916  C C     . GLN A 1 116 ? 1.204   -15.167 -16.167 1    20.07 ?  296 GLN A C     1 
ATOM   917  O O     . GLN A 1 116 ? 0.186   -15.744 -15.815 1    20.8  ?  296 GLN A O     1 
ATOM   918  C CB    . GLN A 1 116 ? 3.21    -15.627 -14.73  1    19.77 ?  296 GLN A CB    1 
ATOM   919  C CG    . GLN A 1 116 ? 4.338   -16.656 -14.464 1    21.56 ?  296 GLN A CG    1 
ATOM   920  C CD    . GLN A 1 116 ? 5.128   -16.279 -13.255 1    24.25 ?  296 GLN A CD    1 
ATOM   921  O OE1   . GLN A 1 116 ? 5.579   -15.133 -13.121 1    23.28 ?  296 GLN A OE1   1 
ATOM   922  N NE2   . GLN A 1 116 ? 5.357   -17.263 -12.389 1    25.95 ?  296 GLN A NE2   1 
ATOM   923  N N     . MET A 1 117 ? 1.21    -13.904 -16.618 1    19.89 ?  297 MET A N     1 
ATOM   924  C CA    . MET A 1 117 ? -0.08   -13.14  -16.748 1    19.41 ?  297 MET A CA    1 
ATOM   925  C C     . MET A 1 117 ? -0.919  -13.845 -17.826 1    20.22 ?  297 MET A C     1 
ATOM   926  O O     . MET A 1 117 ? -2.092  -14.131 -17.635 1    21.44 ?  297 MET A O     1 
ATOM   927  C CB    . MET A 1 117 ? 0.201   -11.718 -17.189 1    19.23 ?  297 MET A CB    1 
ATOM   928  C CG    . MET A 1 117 ? 0.902   -10.9   -16.136 1    20.26 ?  297 MET A CG    1 
ATOM   929  S SD    . MET A 1 117 ? -0.235  -10.392 -14.788 1    23.66 ?  297 MET A SD    1 
ATOM   930  C CE    . MET A 1 117 ? -0.992  -8.895  -15.586 1    23.91 ?  297 MET A CE    1 
ATOM   931  N N     . HIS A 1 118 ? -0.263  -14.239 -18.951 1    20.05 ?  298 HIS A N     1 
ATOM   932  C CA    . HIS A 1 118 ? -0.953  -15.028 -19.987 1    20.88 ?  298 HIS A CA    1 
ATOM   933  C C     . HIS A 1 118 ? -1.59   -16.286 -19.388 1    22.19 ?  298 HIS A C     1 
ATOM   934  O O     . HIS A 1 118 ? -2.766  -16.549 -19.581 1    23.12 ?  298 HIS A O     1 
ATOM   935  C CB    . HIS A 1 118 ? 0.056   -15.433 -21.073 1    21.77 ?  298 HIS A CB    1 
ATOM   936  C CG    . HIS A 1 118 ? -0.499  -16.42  -22.067 1    24.26 ?  298 HIS A CG    1 
ATOM   937  N ND1   . HIS A 1 118 ? -0.519  -17.768 -21.793 1    27.48 ?  298 HIS A ND1   1 
ATOM   938  C CD2   . HIS A 1 118 ? -0.96   -16.22  -23.323 1    26.67 ?  298 HIS A CD2   1 
ATOM   939  C CE1   . HIS A 1 118 ? -1.051  -18.346 -22.861 1    28.25 ?  298 HIS A CE1   1 
ATOM   940  N NE2   . HIS A 1 118 ? -1.317  -17.452 -23.815 1    28.2  ?  298 HIS A NE2   1 
ATOM   941  N N     . ASN A 1 119 ? -0.8    -17.071 -18.626 1    21.59 ?  299 ASN A N     1 
ATOM   942  C CA    . ASN A 1 119 ? -1.268  -18.314 -18.053 1    21.6  ?  299 ASN A CA    1 
ATOM   943  C C     . ASN A 1 119 ? -2.316  -18.152 -16.985 1    22.73 ?  299 ASN A C     1 
ATOM   944  O O     . ASN A 1 119 ? -3.093  -19.064 -16.753 1    24.26 ?  299 ASN A O     1 
ATOM   945  C CB    . ASN A 1 119 ? -0.074  -19.076 -17.467 1    22.41 ?  299 ASN A CB    1 
ATOM   946  C CG    . ASN A 1 119 ? 0.993   -19.4   -18.508 1    26.2  ?  299 ASN A CG    1 
ATOM   947  O OD1   . ASN A 1 119 ? 0.8     -19.23  -19.732 1    25.33 ?  299 ASN A OD1   1 
ATOM   948  N ND2   . ASN A 1 119 ? 2.153   -19.875 -18.035 1    26.25 ?  299 ASN A ND2   1 
ATOM   949  N N     . ALA A 1 120 ? -2.336  -17.004 -16.317 1    21.78 ?  300 ALA A N     1 
ATOM   950  C CA    . ALA A 1 120 ? -3.285  -16.771 -15.218 1    21.93 ?  300 ALA A CA    1 
ATOM   951  C C     . ALA A 1 120 ? -4.706  -16.547 -15.687 1    21.94 ?  300 ALA A C     1 
ATOM   952  O O     . ALA A 1 120 ? -5.633  -16.643 -14.88  1    22.38 ?  300 ALA A O     1 
ATOM   953  C CB    . ALA A 1 120 ? -2.828  -15.573 -14.404 1    21.54 ?  300 ALA A CB    1 
ATOM   954  N N     . GLY A 1 121 ? -4.888  -16.21  -16.965 1    22.48 ?  301 GLY A N     1 
ATOM   955  C CA    . GLY A 1 121 ? -6.225  -15.952 -17.483 1    22.94 ?  301 GLY A CA    1 
ATOM   956  C C     . GLY A 1 121 ? -6.267  -14.895 -18.555 1    23.07 ?  301 GLY A C     1 
ATOM   957  O O     . GLY A 1 121 ? -7.248  -14.843 -19.289 1    25.02 ?  301 GLY A O     1 
ATOM   958  N N     . PHE A 1 122 ? -5.227  -14.042 -18.672 1    20.71 ?  302 PHE A N     1 
ATOM   959  C CA    . PHE A 1 122 ? -5.231  -13.014 -19.71  1    20.5  ?  302 PHE A CA    1 
ATOM   960  C C     . PHE A 1 122 ? -5.317  -13.608 -21.116 1    21.93 ?  302 PHE A C     1 
ATOM   961  O O     . PHE A 1 122 ? -6.007  -13.062 -21.961 1    23.22 ?  302 PHE A O     1 
ATOM   962  C CB    . PHE A 1 122 ? -4.056  -12.061 -19.574 1    20.73 ?  302 PHE A CB    1 
ATOM   963  C CG    . PHE A 1 122 ? -4.293  -11.035 -18.488 1    21.94 ?  302 PHE A CG    1 
ATOM   964  C CD1   . PHE A 1 122 ? -4.917  -9.835  -18.773 1    23.52 ?  302 PHE A CD1   1 
ATOM   965  C CD2   . PHE A 1 122 ? -3.847  -11.252 -17.195 1    23.84 ?  302 PHE A CD2   1 
ATOM   966  C CE1   . PHE A 1 122 ? -5.109  -8.883  -17.778 1    24.52 ?  302 PHE A CE1   1 
ATOM   967  C CE2   . PHE A 1 122 ? -4.016  -10.285 -16.208 1    24.39 ?  302 PHE A CE2   1 
ATOM   968  C CZ    . PHE A 1 122 ? -4.672  -9.124  -16.502 1    24.35 ?  302 PHE A CZ    1 
ATOM   969  N N     . GLY A 1 123 ? -4.612  -14.709 -21.359 1    22.02 ?  303 GLY A N     1 
ATOM   970  C CA    . GLY A 1 123 ? -4.648  -15.364 -22.665 1    24.09 ?  303 GLY A CA    1 
ATOM   971  C C     . GLY A 1 123 ? -4.392  -14.443 -23.834 1    26.16 ?  303 GLY A C     1 
ATOM   972  O O     . GLY A 1 123 ? -3.398  -13.727 -23.857 1    25.34 ?  303 GLY A O     1 
ATOM   973  N N     . PRO A 1 124 ? -5.372  -14.326 -24.739 1    27.65 ?  304 PRO A N     1 
ATOM   974  C CA    . PRO A 1 124 ? -5.194  -13.462 -25.913 1    28.03 ?  304 PRO A CA    1 
ATOM   975  C C     . PRO A 1 124 ? -5.161  -11.963 -25.617 1    28.47 ?  304 PRO A C     1 
ATOM   976  O O     . PRO A 1 124 ? -4.812  -11.172 -26.503 1    30.01 ?  304 PRO A O     1 
ATOM   977  C CB    . PRO A 1 124 ? -6.4    -13.834 -26.793 1    29.42 ?  304 PRO A CB    1 
ATOM   978  C CG    . PRO A 1 124 ? -7.453  -14.198 -25.804 1    30.15 ?  304 PRO A CG    1 
ATOM   979  C CD    . PRO A 1 124 ? -6.662  -15.037 -24.796 1    28.08 ?  304 PRO A CD    1 
ATOM   980  N N     . LEU A 1 125 ? -5.535  -11.56  -24.395 1    26.44 ?  305 LEU A N     1 
ATOM   981  C CA    . LEU A 1 125 ? -5.485  -10.148 -24.024 1    26.23 ?  305 LEU A CA    1 
ATOM   982  C C     . LEU A 1 125 ? -4.087  -9.73   -23.626 1    24.92 ?  305 LEU A C     1 
ATOM   983  O O     . LEU A 1 125 ? -3.859  -8.543  -23.453 1    23.97 ?  305 LEU A O     1 
ATOM   984  C CB    . LEU A 1 125 ? -6.349  -9.888  -22.771 1    27.95 ?  305 LEU A CB    1 
ATOM   985  C CG    . LEU A 1 125 ? -7.772  -10.347 -22.778 1    32.37 ?  305 LEU A CG    1 
ATOM   986  C CD1   . LEU A 1 125 ? -8.393  -10.126 -21.424 1    34.03 ?  305 LEU A CD1   1 
ATOM   987  C CD2   . LEU A 1 125 ? -8.561  -9.539  -23.774 1    33.56 ?  305 LEU A CD2   1 
ATOM   988  N N     . THR A 1 126 ? -3.162  -10.677 -23.384 1    24.14 ?  306 THR A N     1 
ATOM   989  C CA    . THR A 1 126 ? -1.867  -10.341 -22.812 1    23.1  ?  306 THR A CA    1 
ATOM   990  C C     . THR A 1 126 ? -1.127  -9.246  -23.529 1    23.37 ?  306 THR A C     1 
ATOM   991  O O     . THR A 1 126 ? -0.778  -8.257  -22.888 1    22.63 ?  306 THR A O     1 
ATOM   992  C CB    . THR A 1 126 ? -0.975  -11.604 -22.658 1    24.57 ?  306 THR A CB    1 
ATOM   993  O OG1   . THR A 1 126 ? -1.734  -12.618 -22.015 1    24.11 ?  306 THR A OG1   1 
ATOM   994  C CG2   . THR A 1 126 ? 0.275   -11.314 -21.844 1    24.56 ?  306 THR A CG2   1 
ATOM   995  N N     . ASP A 1 127 ? -0.863  -9.398  -24.851 1    22.85 ?  307 ASP A N     1 
ATOM   996  C CA    . ASP A 1 127 ? -0.072  -8.364  -25.523 1    23.48 ?  307 ASP A CA    1 
ATOM   997  C C     . ASP A 1 127 ? -0.771  -6.989  -25.506 1    23.43 ?  307 ASP A C     1 
ATOM   998  O O     . ASP A 1 127 ? -0.078  -5.971  -25.37  1    24.24 ?  307 ASP A O     1 
ATOM   999  C CB    . ASP A 1 127 ? 0.351   -8.812  -26.925 1    26.19 ?  307 ASP A CB    1 
ATOM   1000 C CG    . ASP A 1 127 ? 1.373   -9.943  -26.9   1    32.22 ?  307 ASP A CG    1 
ATOM   1001 O OD1   . ASP A 1 127 ? 2.056   -10.12  -25.853 1    31.56 ?  307 ASP A OD1   1 
ATOM   1002 O OD2   . ASP A 1 127 ? 1.507   -10.651 -27.929 1    35.29 -1 307 ASP A OD2   1 
ATOM   1003 N N     . LEU A 1 128 ? -2.123  -6.939  -25.649 1    24.26 ?  308 LEU A N     1 
ATOM   1004 C CA    . LEU A 1 128 ? -2.813  -5.644  -25.626 1    25.12 ?  308 LEU A CA    1 
ATOM   1005 C C     . LEU A 1 128 ? -2.678  -4.976  -24.248 1    22.87 ?  308 LEU A C     1 
ATOM   1006 O O     . LEU A 1 128 ? -2.424  -3.777  -24.167 1    23.02 ?  308 LEU A O     1 
ATOM   1007 C CB    . LEU A 1 128 ? -4.305  -5.815  -25.93  1    27.84 ?  308 LEU A CB    1 
ATOM   1008 C CG    . LEU A 1 128 ? -4.64   -6.365  -27.309 1    32.5  ?  308 LEU A CG    1 
ATOM   1009 C CD1   . LEU A 1 128 ? -6.108  -6.717  -27.412 1    34.03 ?  308 LEU A CD1   1 
ATOM   1010 C CD2   . LEU A 1 128 ? -4.163  -5.423  -28.407 1    33.97 ?  308 LEU A CD2   1 
ATOM   1011 N N     . VAL A 1 129 ? -2.791  -5.761  -23.18  1    21.47 ?  309 VAL A N     1 
ATOM   1012 C CA    . VAL A 1 129 ? -2.677  -5.22   -21.822 1    21.03 ?  309 VAL A CA    1 
ATOM   1013 C C     . VAL A 1 129 ? -1.236  -4.716  -21.593 1    20.92 ?  309 VAL A C     1 
ATOM   1014 O O     . VAL A 1 129 ? -1.043  -3.587  -21.127 1    21.61 ?  309 VAL A O     1 
ATOM   1015 C CB    . VAL A 1 129 ? -3.137  -6.271  -20.802 1    22.34 ?  309 VAL A CB    1 
ATOM   1016 C CG1   . VAL A 1 129 ? -2.786  -5.865  -19.366 1    23.11 ?  309 VAL A CG1   1 
ATOM   1017 C CG2   . VAL A 1 129 ? -4.642  -6.496  -20.931 1    23.02 ?  309 VAL A CG2   1 
ATOM   1018 N N     . PHE A 1 130 ? -0.208  -5.522  -21.993 1    21.68 ?  310 PHE A N     1 
ATOM   1019 C CA    . PHE A 1 130 ? 1.178   -5.046  -21.817 1    21.08 ?  310 PHE A CA    1 
ATOM   1020 C C     . PHE A 1 130 ? 1.498   -3.847  -22.697 1    20.69 ?  310 PHE A C     1 
ATOM   1021 O O     . PHE A 1 130 ? 2.268   -2.948  -22.278 1    21.67 ?  310 PHE A O     1 
ATOM   1022 C CB    . PHE A 1 130 ? 2.173   -6.202  -22.006 1    21.22 ?  310 PHE A CB    1 
ATOM   1023 C CG    . PHE A 1 130 ? 2.348   -7.05   -20.767 1    22.07 ?  310 PHE A CG    1 
ATOM   1024 C CD1   . PHE A 1 130 ? 1.346   -7.913  -20.344 1    22.6  ?  310 PHE A CD1   1 
ATOM   1025 C CD2   . PHE A 1 130 ? 3.519   -7.003  -20.038 1    22.36 ?  310 PHE A CD2   1 
ATOM   1026 C CE1   . PHE A 1 130 ? 1.499   -8.67   -19.197 1    23.34 ?  310 PHE A CE1   1 
ATOM   1027 C CE2   . PHE A 1 130 ? 3.683   -7.787  -18.908 1    22.76 ?  310 PHE A CE2   1 
ATOM   1028 C CZ    . PHE A 1 130 ? 2.669   -8.599  -18.477 1    23.04 ?  310 PHE A CZ    1 
ATOM   1029 N N     . ALA A 1 131 ? 0.875   -3.762  -23.899 1    21.41 ?  311 ALA A N     1 
ATOM   1030 C CA    . ALA A 1 131 ? 1.088   -2.6    -24.766 1    22.98 ?  311 ALA A CA    1 
ATOM   1031 C C     . ALA A 1 131 ? 0.525   -1.348  -24.094 1    22.55 ?  311 ALA A C     1 
ATOM   1032 O O     . ALA A 1 131 ? 1.198   -0.308  -24.065 1    23.06 ?  311 ALA A O     1 
ATOM   1033 C CB    . ALA A 1 131 ? 0.453   -2.809  -26.147 1    23.84 ?  311 ALA A CB    1 
ATOM   1034 N N     . PHE A 1 132 ? -0.644  -1.479  -23.429 1    21.24 ?  312 PHE A N     1 
ATOM   1035 C CA    . PHE A 1 132 ? -1.203  -0.363  -22.706 1    21.42 ?  312 PHE A CA    1 
ATOM   1036 C C     . PHE A 1 132 ? -0.302  0.057   -21.566 1    20.79 ?  312 PHE A C     1 
ATOM   1037 O O     . PHE A 1 132 ? 0.014   1.245   -21.414 1    22.14 ?  312 PHE A O     1 
ATOM   1038 C CB    . PHE A 1 132 ? -2.595  -0.762  -22.174 1    21.6  ?  312 PHE A CB    1 
ATOM   1039 C CG    . PHE A 1 132 ? -3.27   0.391   -21.497 1    21.53 ?  312 PHE A CG    1 
ATOM   1040 C CD1   . PHE A 1 132 ? -3.926  1.359   -22.237 1    22.14 ?  312 PHE A CD1   1 
ATOM   1041 C CD2   . PHE A 1 132 ? -3.322  0.466   -20.112 1    23.2  ?  312 PHE A CD2   1 
ATOM   1042 C CE1   . PHE A 1 132 ? -4.546  2.427   -21.608 1    23.6  ?  312 PHE A CE1   1 
ATOM   1043 C CE2   . PHE A 1 132 ? -3.989  1.502   -19.484 1    23.6  ?  312 PHE A CE2   1 
ATOM   1044 C CZ    . PHE A 1 132 ? -4.594  2.486   -20.24  1    23.43 ?  312 PHE A CZ    1 
ATOM   1045 N N     . ALA A 1 133 ? 0.214   -0.907  -20.792 1    21.37 ?  313 ALA A N     1 
ATOM   1046 C CA    . ALA A 1 133 ? 1.118   -0.586  -19.674 1    21.36 ?  313 ALA A CA    1 
ATOM   1047 C C     . ALA A 1 133 ? 2.334   0.217   -20.182 1    22.47 ?  313 ALA A C     1 
ATOM   1048 O O     . ALA A 1 133 ? 2.738   1.193   -19.552 1    21.96 ?  313 ALA A O     1 
ATOM   1049 C CB    . ALA A 1 133 ? 1.607   -1.86   -19.024 1    21.43 ?  313 ALA A CB    1 
ATOM   1050 N N     . ASN A 1 134 ? 2.832   -0.149  -21.348 1    24.23 ?  314 ASN A N     1 
ATOM   1051 C CA    . ASN A 1 134 ? 3.979   0.548   -21.934 1    26.62 ?  314 ASN A CA    1 
ATOM   1052 C C     . ASN A 1 134 ? 3.66    1.955   -22.386 1    29.38 ?  314 ASN A C     1 
ATOM   1053 O O     . ASN A 1 134 ? 4.53    2.835   -22.276 1    31.44 ?  314 ASN A O     1 
ATOM   1054 C CB    . ASN A 1 134 ? 4.587   -0.289  -23.038 1    27.36 ?  314 ASN A CB    1 
ATOM   1055 C CG    . ASN A 1 134 ? 5.596   -1.202  -22.426 1    27.69 ?  314 ASN A CG    1 
ATOM   1056 O OD1   . ASN A 1 134 ? 6.657   -0.734  -21.949 1    28.01 ?  314 ASN A OD1   1 
ATOM   1057 N ND2   . ASN A 1 134 ? 5.265   -2.492  -22.296 1    26.89 ?  314 ASN A ND2   1 
ATOM   1058 N N     . GLN A 1 135 ? 2.449   2.196   -22.86  1    29.29 ?  315 GLN A N     1 
ATOM   1059 C CA    . GLN A 1 135 ? 1.997   3.532   -23.281 1    30.02 ?  315 GLN A CA    1 
ATOM   1060 C C     . GLN A 1 135 ? 1.78    4.433   -22.094 1    30.13 ?  315 GLN A C     1 
ATOM   1061 O O     . GLN A 1 135 ? 1.962   5.644   -22.179 1    30.67 ?  315 GLN A O     1 
ATOM   1062 C CB    . GLN A 1 135 ? 0.695   3.441   -24.08  1    32.63 ?  315 GLN A CB    1 
ATOM   1063 N N     . LEU A 1 136 ? 1.337   3.852   -20.965 1    28.74 ?  316 LEU A N     1 
ATOM   1064 C CA    . LEU A 1 136 ? 1.099   4.608   -19.769 1    28.61 ?  316 LEU A CA    1 
ATOM   1065 C C     . LEU A 1 136 ? 2.399   5.101   -19.17  1    28.03 ?  316 LEU A C     1 
ATOM   1066 O O     . LEU A 1 136 ? 2.455   6.205   -18.661 1    27.26 ?  316 LEU A O     1 
ATOM   1067 C CB    . LEU A 1 136 ? 0.434   3.633   -18.788 1    29.68 ?  316 LEU A CB    1 
ATOM   1068 C CG    . LEU A 1 136 ? -0.607  4.135   -17.873 1    32.13 ?  316 LEU A CG    1 
ATOM   1069 C CD1   . LEU A 1 136 ? -1.72   4.861   -18.643 1    32.74 ?  316 LEU A CD1   1 
ATOM   1070 C CD2   . LEU A 1 136 ? -1.143  2.971   -17.062 1    31.51 ?  316 LEU A CD2   1 
ATOM   1071 N N     . LEU A 1 137 ? 3.441   4.265   -19.183 1    29.42 ?  317 LEU A N     1 
ATOM   1072 C CA    . LEU A 1 137 ? 4.692   4.573   -18.505 1    32.83 ?  317 LEU A CA    1 
ATOM   1073 C C     . LEU A 1 137 ? 5.3     5.952   -18.807 1    34.73 ?  317 LEU A C     1 
ATOM   1074 O O     . LEU A 1 137 ? 5.57    6.683   -17.842 1    35.27 ?  317 LEU A O     1 
ATOM   1075 C CB    . LEU A 1 137 ? 5.703   3.444   -18.78  1    34.73 ?  317 LEU A CB    1 
ATOM   1076 C CG    . LEU A 1 137 ? 6.822   3.274   -17.788 1    38.4  ?  317 LEU A CG    1 
ATOM   1077 C CD1   . LEU A 1 137 ? 6.309   2.762   -16.459 1    38.57 ?  317 LEU A CD1   1 
ATOM   1078 C CD2   . LEU A 1 137 ? 7.833   2.295   -18.331 1    39.75 ?  317 LEU A CD2   1 
ATOM   1079 N N     . PRO A 1 138 ? 5.506   6.378   -20.08  1    35.98 ?  318 PRO A N     1 
ATOM   1080 C CA    . PRO A 1 138 ? 6.131   7.68    -20.32  1    36.26 ?  318 PRO A CA    1 
ATOM   1081 C C     . PRO A 1 138 ? 5.325   8.874   -19.868 1    35.65 ?  318 PRO A C     1 
ATOM   1082 O O     . PRO A 1 138 ? 5.898   9.947   -19.733 1    36.31 ?  318 PRO A O     1 
ATOM   1083 C CB    . PRO A 1 138 ? 6.309   7.718   -21.838 1    37.83 ?  318 PRO A CB    1 
ATOM   1084 C CG    . PRO A 1 138 ? 5.277   6.785   -22.357 1    37.82 ?  318 PRO A CG    1 
ATOM   1085 C CD    . PRO A 1 138 ? 5.251   5.681   -21.359 1    36.01 ?  318 PRO A CD    1 
ATOM   1086 N N     . LEU A 1 139 ? 4.017   8.698   -19.61  1    34.28 ?  319 LEU A N     1 
ATOM   1087 C CA    . LEU A 1 139 ? 3.172   9.794   -19.146 1    33.96 ?  319 LEU A CA    1 
ATOM   1088 C C     . LEU A 1 139 ? 3.527   10.247  -17.727 1    33.8  ?  319 LEU A C     1 
ATOM   1089 O O     . LEU A 1 139 ? 3.106   11.319  -17.318 1    34.42 ?  319 LEU A O     1 
ATOM   1090 C CB    . LEU A 1 139 ? 1.694   9.381   -19.213 1    34.76 ?  319 LEU A CB    1 
ATOM   1091 C CG    . LEU A 1 139 ? 0.872   9.707   -20.486 1    37.64 ?  319 LEU A CG    1 
ATOM   1092 C CD1   . LEU A 1 139 ? 1.653   9.521   -21.781 1    38.9  ?  319 LEU A CD1   1 
ATOM   1093 C CD2   . LEU A 1 139 ? -0.431  8.94    -20.507 1    38.37 ?  319 LEU A CD2   1 
ATOM   1094 N N     . GLU A 1 140 ? 4.192   9.389   -16.935 1    33.31 ?  320 GLU A N     1 
ATOM   1095 C CA    . GLU A 1 140 ? 4.598   9.669   -15.558 1    33.7  ?  320 GLU A CA    1 
ATOM   1096 C C     . GLU A 1 140 ? 3.442   10.188  -14.729 1    33.18 ?  320 GLU A C     1 
ATOM   1097 O O     . GLU A 1 140 ? 3.557   11.227  -14.075 1    33.43 ?  320 GLU A O     1 
ATOM   1098 C CB    . GLU A 1 140 ? 5.797   10.616  -15.536 1    36.93 ?  320 GLU A CB    1 
ATOM   1099 C CG    . GLU A 1 140 ? 7.049   9.944   -16.058 1    43.88 ?  320 GLU A CG    1 
ATOM   1100 C CD    . GLU A 1 140 ? 8.181   10.895  -16.372 1    55.26 ?  320 GLU A CD    1 
ATOM   1101 O OE1   . GLU A 1 140 ? 7.906   12.092  -16.624 1    58.33 ?  320 GLU A OE1   1 
ATOM   1102 O OE2   . GLU A 1 140 ? 9.345   10.434  -16.401 1    59.47 -1 320 GLU A OE2   1 
ATOM   1103 N N     . MET A 1 141 ? 2.292   9.5     -14.828 1    32.08 ?  321 MET A N     1 
ATOM   1104 C CA    . MET A 1 141 ? 1.119   9.934   -14.119 1    32.16 ?  321 MET A CA    1 
ATOM   1105 C C     . MET A 1 141 ? 1.245   9.801   -12.624 1    31.95 ?  321 MET A C     1 
ATOM   1106 O O     . MET A 1 141 ? 1.923   8.894   -12.135 1    32.96 ?  321 MET A O     1 
ATOM   1107 C CB    . MET A 1 141 ? -0.135  9.221   -14.621 1    33.24 ?  321 MET A CB    1 
ATOM   1108 C CG    . MET A 1 141 ? -0.673  9.858   -15.867 1    35.78 ?  321 MET A CG    1 
ATOM   1109 S SD    . MET A 1 141 ? -1.843  8.822   -16.673 1    39.4  ?  321 MET A SD    1 
ATOM   1110 C CE    . MET A 1 141 ? -3.172  8.886   -15.57  1    40.85 ?  321 MET A CE    1 
ATOM   1111 N N     . ASP A 1 142 ? 0.614   10.73   -11.888 1    30.78 ?  322 ASP A N     1 
ATOM   1112 C CA    . ASP A 1 142 ? 0.628   10.647  -10.432 1    29.93 ?  322 ASP A CA    1 
ATOM   1113 C C     . ASP A 1 142 ? -0.726  10.096  -9.89   1    29.1  ?  322 ASP A C     1 
ATOM   1114 O O     . ASP A 1 142 ? -1.568  9.679   -10.701 1    29.25 ?  322 ASP A O     1 
ATOM   1115 C CB    . ASP A 1 142 ? 1.062   11.994  -9.8    1    31.38 ?  322 ASP A CB    1 
ATOM   1116 C CG    . ASP A 1 142 ? 0.075   13.131  -9.948  1    35.38 ?  322 ASP A CG    1 
ATOM   1117 O OD1   . ASP A 1 142 ? -1.015  12.902  -10.5   1    34.88 ?  322 ASP A OD1   1 
ATOM   1118 O OD2   . ASP A 1 142 ? 0.375   14.246  -9.463  1    37.16 -1 322 ASP A OD2   1 
ATOM   1119 N N     . ASP A 1 143 ? -0.926  10.035  -8.557  1    27.32 ?  323 ASP A N     1 
ATOM   1120 C CA    . ASP A 1 143 ? -2.179  9.498   -8.013  1    27.79 ?  323 ASP A CA    1 
ATOM   1121 C C     . ASP A 1 143 ? -3.379  10.333  -8.409  1    26.47 ?  323 ASP A C     1 
ATOM   1122 O O     . ASP A 1 143 ? -4.465  9.78    -8.59   1    25.77 ?  323 ASP A O     1 
ATOM   1123 C CB    . ASP A 1 143 ? -2.154  9.409   -6.486  1    31.18 ?  323 ASP A CB    1 
ATOM   1124 C CG    . ASP A 1 143 ? -1.375  8.241   -5.937  1    42.72 ?  323 ASP A CG    1 
ATOM   1125 O OD1   . ASP A 1 143 ? -1.871  7.086   -6.053  1    44.34 ?  323 ASP A OD1   1 
ATOM   1126 O OD2   . ASP A 1 143 ? -0.283  8.476   -5.358  1    47.67 -1 323 ASP A OD2   1 
ATOM   1127 N N     . ALA A 1 144 ? -3.21   11.669  -8.499  1    25.83 ?  324 ALA A N     1 
ATOM   1128 C CA    . ALA A 1 144 ? -4.341  12.517  -8.878  1    25.95 ?  324 ALA A CA    1 
ATOM   1129 C C     . ALA A 1 144 ? -4.757  12.229  -10.321 1    25.4  ?  324 ALA A C     1 
ATOM   1130 O O     . ALA A 1 144 ? -5.945  12.135  -10.603 1    25.6  ?  324 ALA A O     1 
ATOM   1131 C CB    . ALA A 1 144 ? -3.982  13.996  -8.726  1    26.25 ?  324 ALA A CB    1 
ATOM   1132 N N     . GLU A 1 145 ? -3.788  12.099  -11.233 1    25.26 ?  325 GLU A N     1 
ATOM   1133 C CA    . GLU A 1 145 ? -4.094  11.829  -12.642 1    24.15 ?  325 GLU A CA    1 
ATOM   1134 C C     . GLU A 1 145 ? -4.72   10.433  -12.808 1    24.36 ?  325 GLU A C     1 
ATOM   1135 O O     . GLU A 1 145 ? -5.737  10.303  -13.485 1    24.64 ?  325 GLU A O     1 
ATOM   1136 C CB    . GLU A 1 145 ? -2.828  12.036  -13.489 1    26.09 ?  325 GLU A CB    1 
ATOM   1137 C CG    . GLU A 1 145 ? -2.383  13.493  -13.39  1    28.88 ?  325 GLU A CG    1 
ATOM   1138 C CD    . GLU A 1 145 ? -0.952  13.81   -13.779 1    36.32 ?  325 GLU A CD    1 
ATOM   1139 O OE1   . GLU A 1 145 ? -0.658  15.007  -13.997 1    38.44 ?  325 GLU A OE1   1 
ATOM   1140 O OE2   . GLU A 1 145 ? -0.126  12.874  -13.872 1    35.46 -1 325 GLU A OE2   1 
ATOM   1141 N N     . THR A 1 146 ? -4.15   9.397   -12.154 1    23.27 ?  326 THR A N     1 
ATOM   1142 C CA    . THR A 1 146 ? -4.695  8.047   -12.259 1    22.52 ?  326 THR A CA    1 
ATOM   1143 C C     . THR A 1 146 ? -6.1    7.991   -11.659 1    21.85 ?  326 THR A C     1 
ATOM   1144 O O     . THR A 1 146 ? -6.991  7.331   -12.207 1    22.14 ?  326 THR A O     1 
ATOM   1145 C CB    . THR A 1 146 ? -3.707  7.029   -11.627 1    22.93 ?  326 THR A CB    1 
ATOM   1146 O OG1   . THR A 1 146 ? -2.44   7.187   -12.255 1    24.09 ?  326 THR A OG1   1 
ATOM   1147 C CG2   . THR A 1 146 ? -4.159  5.593   -11.795 1    22.35 ?  326 THR A CG2   1 
ATOM   1148 N N     . GLY A 1 147 ? -6.303  8.674   -10.532 1    21.44 ?  327 GLY A N     1 
ATOM   1149 C CA    . GLY A 1 147 ? -7.608  8.693   -9.884  1    21.62 ?  327 GLY A CA    1 
ATOM   1150 C C     . GLY A 1 147 ? -8.631  9.409   -10.742 1    21.66 ?  327 GLY A C     1 
ATOM   1151 O O     . GLY A 1 147 ? -9.72   8.907   -10.932 1    22.09 ?  327 GLY A O     1 
ATOM   1152 N N     . LEU A 1 148 ? -8.246  10.528  -11.336 1    22.11 ?  328 LEU A N     1 
ATOM   1153 C CA    . LEU A 1 148 ? -9.186  11.275  -12.198 1    23.41 ?  328 LEU A CA    1 
ATOM   1154 C C     . LEU A 1 148 ? -9.495  10.478  -13.446 1    23.08 ?  328 LEU A C     1 
ATOM   1155 O O     . LEU A 1 148 ? -10.661 10.419  -13.831 1    24.58 ?  328 LEU A O     1 
ATOM   1156 C CB    . LEU A 1 148 ? -8.631  12.672  -12.548 1    24.22 ?  328 LEU A CB    1 
ATOM   1157 C CG    . LEU A 1 148 ? -8.787  13.695  -11.453 1    27.6  ?  328 LEU A CG    1 
ATOM   1158 C CD1   . LEU A 1 148 ? -7.817  14.862  -11.638 1    28.41 ?  328 LEU A CD1   1 
ATOM   1159 C CD2   . LEU A 1 148 ? -10.226 14.192  -11.354 1    29.1  ?  328 LEU A CD2   1 
ATOM   1160 N N     . LEU A 1 149 ? -8.508  9.789   -14.038 1    22.13 ?  329 LEU A N     1 
ATOM   1161 C CA    . LEU A 1 149 ? -8.764  8.965   -15.24  1    23.34 ?  329 LEU A CA    1 
ATOM   1162 C C     . LEU A 1 149 ? -9.714  7.819   -14.904 1    22.01 ?  329 LEU A C     1 
ATOM   1163 O O     . LEU A 1 149 ? -10.669 7.555   -15.64  1    22.62 ?  329 LEU A O     1 
ATOM   1164 C CB    . LEU A 1 149 ? -7.439  8.391   -15.774 1    25.57 ?  329 LEU A CB    1 
ATOM   1165 C CG    . LEU A 1 149 ? -7.323  8.276   -17.279 1    29.96 ?  329 LEU A CG    1 
ATOM   1166 C CD1   . LEU A 1 149 ? -7.484  9.648   -17.944 1    31.09 ?  329 LEU A CD1   1 
ATOM   1167 C CD2   . LEU A 1 149 ? -5.971  7.707   -17.672 1    31.37 ?  329 LEU A CD2   1 
ATOM   1168 N N     . SER A 1 150 ? -9.51   7.178   -13.723 1    20.74 ?  330 SER A N     1 
ATOM   1169 C CA    . SER A 1 150 ? -10.42  6.108   -13.282 1    20.41 ?  330 SER A CA    1 
ATOM   1170 C C     . SER A 1 150 ? -11.829 6.664   -13.102 1    20.6  ?  330 SER A C     1 
ATOM   1171 O O     . SER A 1 150 ? -12.812 6.029   -13.493 1    21.48 ?  330 SER A O     1 
ATOM   1172 C CB    . SER A 1 150 ? -9.959  5.534   -11.941 1    22.01 ?  330 SER A CB    1 
ATOM   1173 O OG    . SER A 1 150 ? -8.644  5.02    -12.025 1    25.31 ?  330 SER A OG    1 
ATOM   1174 N N     . ALA A 1 151 ? -11.938 7.845   -12.499 1    20.11 ?  331 ALA A N     1 
ATOM   1175 C CA    . ALA A 1 151 ? -13.245 8.475   -12.261 1    21.42 ?  331 ALA A CA    1 
ATOM   1176 C C     . ALA A 1 151 ? -13.961 8.844   -13.574 1    22.08 ?  331 ALA A C     1 
ATOM   1177 O O     . ALA A 1 151 ? -15.166 8.626   -13.709 1    22.71 ?  331 ALA A O     1 
ATOM   1178 C CB    . ALA A 1 151 ? -13.059 9.694   -11.383 1    22.32 ?  331 ALA A CB    1 
ATOM   1179 N N     . ILE A 1 152 ? -13.21  9.335   -14.549 1    21.44 ?  332 ILE A N     1 
ATOM   1180 C CA    . ILE A 1 152 ? -13.788 9.657   -15.869 1    22.82 ?  332 ILE A CA    1 
ATOM   1181 C C     . ILE A 1 152 ? -14.267 8.398   -16.571 1    24.38 ?  332 ILE A C     1 
ATOM   1182 O O     . ILE A 1 152 ? -15.291 8.403   -17.249 1    25.14 ?  332 ILE A O     1 
ATOM   1183 C CB    . ILE A 1 152 ? -12.766 10.465  -16.685 1    24.29 ?  332 ILE A CB    1 
ATOM   1184 C CG1   . ILE A 1 152 ? -12.54  11.813  -15.994 1    23.86 ?  332 ILE A CG1   1 
ATOM   1185 C CG2   . ILE A 1 152 ? -13.2   10.614  -18.131 1    26.16 ?  332 ILE A CG2   1 
ATOM   1186 C CD1   . ILE A 1 152 ? -11.279 12.545  -16.513 1    24.52 ?  332 ILE A CD1   1 
ATOM   1187 N N     . CYS A 1 153 ? -13.526 7.306   -16.397 1    23.61 ?  333 CYS A N     1 
ATOM   1188 C CA    A CYS A 1 153 ? -13.905 6.005   -16.955 0.46 24.07 ?  333 CYS A CA    1 
ATOM   1189 C CA    B CYS A 1 153 ? -13.9   6.045   -16.981 0.54 24.81 ?  333 CYS A CA    1 
ATOM   1190 C C     . CYS A 1 153 ? -15.209 5.518   -16.36  1    24.33 ?  333 CYS A C     1 
ATOM   1191 O O     . CYS A 1 153 ? -16.073 4.987   -17.07  1    25.2  ?  333 CYS A O     1 
ATOM   1192 C CB    A CYS A 1 153 ? -12.81  4.976   -16.704 0.46 24.97 ?  333 CYS A CB    1 
ATOM   1193 C CB    B CYS A 1 153 ? -12.761 5.058   -16.794 0.54 27.66 ?  333 CYS A CB    1 
ATOM   1194 S SG    A CYS A 1 153 ? -11.434 5.066   -17.858 0.46 26.85 ?  333 CYS A SG    1 
ATOM   1195 S SG    B CYS A 1 153 ? -13.042 3.48    -17.6   0.54 35.83 ?  333 CYS A SG    1 
ATOM   1196 N N     . LEU A 1 154 ? -15.341 5.649   -15.065 1    21.58 ?  334 LEU A N     1 
ATOM   1197 C CA    . LEU A 1 154 ? -16.512 5.136   -14.359 1    21.26 ?  334 LEU A CA    1 
ATOM   1198 C C     . LEU A 1 154 ? -17.749 5.977   -14.595 1    21.98 ?  334 LEU A C     1 
ATOM   1199 O O     . LEU A 1 154 ? -18.832 5.431   -14.827 1    22.08 ?  334 LEU A O     1 
ATOM   1200 C CB    . LEU A 1 154 ? -16.188 5.113   -12.862 1    21.38 ?  334 LEU A CB    1 
ATOM   1201 C CG    . LEU A 1 154 ? -17.291 4.746   -11.907 1    23.69 ?  334 LEU A CG    1 
ATOM   1202 C CD1   . LEU A 1 154 ? -17.745 3.306   -12.094 1    23.39 ?  334 LEU A CD1   1 
ATOM   1203 C CD2   . LEU A 1 154 ? -16.857 5.023   -10.498 1    25.3  ?  334 LEU A CD2   1 
ATOM   1204 N N     . ILE A 1 155 ? -17.594 7.293   -14.472 1    21.8  ?  335 ILE A N     1 
ATOM   1205 C CA    . ILE A 1 155 ? -18.748 8.195   -14.562 1    22.66 ?  335 ILE A CA    1 
ATOM   1206 C C     . ILE A 1 155 ? -18.928 8.603   -16     1    24.05 ?  335 ILE A C     1 
ATOM   1207 O O     . ILE A 1 155 ? -18.458 9.653   -16.438 1    25.3  ?  335 ILE A O     1 
ATOM   1208 C CB    . ILE A 1 155 ? -18.567 9.357   -13.562 1    23.48 ?  335 ILE A CB    1 
ATOM   1209 C CG1   . ILE A 1 155 ? -18.471 8.759   -12.135 1    25.35 ?  335 ILE A CG1   1 
ATOM   1210 C CG2   . ILE A 1 155 ? -19.766 10.346  -13.606 1    23.17 ?  335 ILE A CG2   1 
ATOM   1211 C CD1   . ILE A 1 155 ? -18.056 9.723   -11.095 1    26.96 ?  335 ILE A CD1   1 
ATOM   1212 N N     . CYS A 1 156 ? -19.516 7.7     -16.767 1    23.71 ?  336 CYS A N     1 
ATOM   1213 C CA    . CYS A 1 156 ? -19.659 7.84    -18.215 1    25.58 ?  336 CYS A CA    1 
ATOM   1214 C C     . CYS A 1 156 ? -21.127 7.727   -18.596 1    25.59 ?  336 CYS A C     1 
ATOM   1215 O O     . CYS A 1 156 ? -21.741 6.702   -18.339 1    24.74 ?  336 CYS A O     1 
ATOM   1216 C CB    . CYS A 1 156 ? -18.844 6.733   -18.868 1    28.85 ?  336 CYS A CB    1 
ATOM   1217 S SG    . CYS A 1 156 ? -19.063 6.595   -20.657 1    37.54 ?  336 CYS A SG    1 
ATOM   1218 N N     . GLY A 1 157 ? -21.685 8.774   -19.203 1    25.35 ?  337 GLY A N     1 
ATOM   1219 C CA    . GLY A 1 157 ? -23.099 8.76    -19.558 1    25.36 ?  337 GLY A CA    1 
ATOM   1220 C C     . GLY A 1 157 ? -23.484 7.979   -20.796 1    25.86 ?  337 GLY A C     1 
ATOM   1221 O O     . GLY A 1 157 ? -24.678 7.894   -21.115 1    26.32 ?  337 GLY A O     1 
ATOM   1222 N N     . ASP A 1 158 ? -22.506 7.359   -21.49  1    25.46 ?  338 ASP A N     1 
ATOM   1223 C CA    . ASP A 1 158 ? -22.837 6.593   -22.683 1    25.85 ?  338 ASP A CA    1 
ATOM   1224 C C     . ASP A 1 158 ? -23.056 5.111   -22.42  1    27.12 ?  338 ASP A C     1 
ATOM   1225 O O     . ASP A 1 158 ? -23.363 4.376   -23.37  1    28.81 ?  338 ASP A O     1 
ATOM   1226 C CB    . ASP A 1 158 ? -21.836 6.833   -23.815 1    28.83 ?  338 ASP A CB    1 
ATOM   1227 C CG    . ASP A 1 158 ? -20.451 6.285   -23.583 1    38.28 ?  338 ASP A CG    1 
ATOM   1228 O OD1   . ASP A 1 158 ? -20.314 5.335   -22.776 1    40.49 ?  338 ASP A OD1   1 
ATOM   1229 O OD2   . ASP A 1 158 ? -19.496 6.788   -24.234 1    42.36 -1 338 ASP A OD2   1 
ATOM   1230 N N     . ARG A 1 159 ? -22.974 4.653   -21.137 1    26.34 ?  339 ARG A N     1 
ATOM   1231 C CA    . ARG A 1 159 ? -23.177 3.241   -20.86  1    25.76 ?  339 ARG A CA    1 
ATOM   1232 C C     . ARG A 1 159 ? -24.599 2.844   -21.125 1    26.99 ?  339 ARG A C     1 
ATOM   1233 O O     . ARG A 1 159 ? -25.532 3.565   -20.761 1    27.63 ?  339 ARG A O     1 
ATOM   1234 C CB    . ARG A 1 159 ? -22.844 2.91    -19.39  1    25.1  ?  339 ARG A CB    1 
ATOM   1235 C CG    . ARG A 1 159 ? -21.474 3.382   -18.953 1    25.5  ?  339 ARG A CG    1 
ATOM   1236 C CD    . ARG A 1 159 ? -20.338 2.795   -19.775 1    26.43 ?  339 ARG A CD    1 
ATOM   1237 N NE    . ARG A 1 159 ? -19.087 2.873   -19.027 1    24.14 ?  339 ARG A NE    1 
ATOM   1238 C CZ    . ARG A 1 159 ? -17.94  2.322   -19.404 1    26.44 ?  339 ARG A CZ    1 
ATOM   1239 N NH1   . ARG A 1 159 ? -17.859 1.66    -20.553 1    25.61 1  339 ARG A NH1   1 
ATOM   1240 N NH2   . ARG A 1 159 ? -16.865 2.427   -18.635 1    29.72 ?  339 ARG A NH2   1 
ATOM   1241 N N     . GLN A 1 160 ? -24.774 1.664   -21.693 1    28.37 ?  340 GLN A N     1 
ATOM   1242 C CA    A GLN A 1 160 ? -26.101 1.142   -21.979 0.5  29.07 ?  340 GLN A CA    1 
ATOM   1243 C CA    B GLN A 1 160 ? -26.111 1.159   -21.979 0.5  29.27 ?  340 GLN A CA    1 
ATOM   1244 C C     . GLN A 1 160 ? -26.907 0.911   -20.706 1    29.57 ?  340 GLN A C     1 
ATOM   1245 O O     . GLN A 1 160 ? -26.359 0.472   -19.691 1    29.77 ?  340 GLN A O     1 
ATOM   1246 C CB    A GLN A 1 160 ? -25.979 -0.18   -22.751 0.5  30.71 ?  340 GLN A CB    1 
ATOM   1247 C CB    B GLN A 1 160 ? -26.053 -0.131  -22.809 0.5  31.48 ?  340 GLN A CB    1 
ATOM   1248 C CG    A GLN A 1 160 ? -25.241 -0.013  -24.07  0.5  34.48 ?  340 GLN A CG    1 
ATOM   1249 C CG    B GLN A 1 160 ? -27.378 -0.424  -23.498 0.5  36.15 ?  340 GLN A CG    1 
ATOM   1250 C CD    A GLN A 1 160 ? -24.793 -1.332  -24.637 0.5  39.93 ?  340 GLN A CD    1 
ATOM   1251 C CD    B GLN A 1 160 ? -27.335 -1.624  -24.4   0.5  41.51 ?  340 GLN A CD    1 
ATOM   1252 O OE1   A GLN A 1 160 ? -23.698 -1.825  -24.339 0.5  42.01 ?  340 GLN A OE1   1 
ATOM   1253 O OE1   B GLN A 1 160 ? -26.446 -2.482  -24.304 0.5  43.44 ?  340 GLN A OE1   1 
ATOM   1254 N NE2   A GLN A 1 160 ? -25.627 -1.931  -25.469 0.5  40.58 ?  340 GLN A NE2   1 
ATOM   1255 N NE2   B GLN A 1 160 ? -28.316 -1.714  -25.288 0.5  42.2  ?  340 GLN A NE2   1 
ATOM   1256 N N     . ASP A 1 161 ? -28.207 1.173   -20.779 1    29.9  ?  341 ASP A N     1 
ATOM   1257 C CA    . ASP A 1 161 ? -29.194 0.958   -19.727 1    30.02 ?  341 ASP A CA    1 
ATOM   1258 C C     . ASP A 1 161 ? -29.134 1.901   -18.545 1    28.44 ?  341 ASP A C     1 
ATOM   1259 O O     . ASP A 1 161 ? -29.771 1.595   -17.529 1    29.58 ?  341 ASP A O     1 
ATOM   1260 C CB    . ASP A 1 161 ? -29.203 -0.491  -19.231 1    34.23 ?  341 ASP A CB    1 
ATOM   1261 C CG    . ASP A 1 161 ? -29.576 -1.473  -20.327 1    44.17 ?  341 ASP A CG    1 
ATOM   1262 O OD1   . ASP A 1 161 ? -30.53  -1.177  -21.094 1    46.04 ?  341 ASP A OD1   1 
ATOM   1263 O OD2   . ASP A 1 161 ? -28.903 -2.523  -20.436 1    48.06 -1 341 ASP A OD2   1 
ATOM   1264 N N     . LEU A 1 162 ? -28.492 3.066   -18.676 1    26.15 ?  342 LEU A N     1 
ATOM   1265 C CA    . LEU A 1 162 ? -28.549 4.053   -17.592 1    23.97 ?  342 LEU A CA    1 
ATOM   1266 C C     . LEU A 1 162 ? -29.964 4.673   -17.584 1    25.64 ?  342 LEU A C     1 
ATOM   1267 O O     . LEU A 1 162 ? -30.521 4.968   -18.645 1    26.96 ?  342 LEU A O     1 
ATOM   1268 C CB    . LEU A 1 162 ? -27.559 5.184   -17.8   1    22.29 ?  342 LEU A CB    1 
ATOM   1269 C CG    . LEU A 1 162 ? -26.11  4.803   -17.53  1    22.02 ?  342 LEU A CG    1 
ATOM   1270 C CD1   . LEU A 1 162 ? -25.165 5.895   -18.008 1    21.88 ?  342 LEU A CD1   1 
ATOM   1271 C CD2   . LEU A 1 162 ? -25.896 4.562   -16.011 1    22.49 ?  342 LEU A CD2   1 
ATOM   1272 N N     . GLU A 1 163 ? -30.508 4.872   -16.387 1    25.84 ?  343 GLU A N     1 
ATOM   1273 C CA    . GLU A 1 163 ? -31.809 5.501   -16.15  1    26.23 ?  343 GLU A CA    1 
ATOM   1274 C C     . GLU A 1 163 ? -31.663 7       -16.311 1    25.69 ?  343 GLU A C     1 
ATOM   1275 O O     . GLU A 1 163 ? -32.561 7.639   -16.878 1    27.45 ?  343 GLU A O     1 
ATOM   1276 C CB    . GLU A 1 163 ? -32.316 5.175   -14.728 1    29.25 ?  343 GLU A CB    1 
ATOM   1277 C CG    . GLU A 1 163 ? -32.611 3.707   -14.503 1    33.41 ?  343 GLU A CG    1 
ATOM   1278 C CD    . GLU A 1 163 ? -32.96  3.287   -13.082 1    41.83 ?  343 GLU A CD    1 
ATOM   1279 O OE1   . GLU A 1 163 ? -33.547 2.191   -12.925 1    45.28 ?  343 GLU A OE1   1 
ATOM   1280 O OE2   . GLU A 1 163 ? -32.652 4.04    -12.129 1    40.43 -1 343 GLU A OE2   1 
ATOM   1281 N N     . GLN A 1 164 ? -30.544 7.593   -15.816 1    23.44 ?  344 GLN A N     1 
ATOM   1282 C CA    . GLN A 1 164 ? -30.328 9.019   -15.883 1    23.48 ?  344 GLN A CA    1 
ATOM   1283 C C     . GLN A 1 164 ? -28.989 9.365   -16.516 1    22.9  ?  344 GLN A C     1 
ATOM   1284 O O     . GLN A 1 164 ? -28.13  9.992   -15.888 1    22.03 ?  344 GLN A O     1 
ATOM   1285 C CB    . GLN A 1 164 ? -30.475 9.675   -14.494 1    25.07 ?  344 GLN A CB    1 
ATOM   1286 C CG    . GLN A 1 164 ? -31.723 9.223   -13.746 1    27.4  ?  344 GLN A CG    1 
ATOM   1287 C CD    . GLN A 1 164 ? -31.763 9.893   -12.41  1    32.33 ?  344 GLN A CD    1 
ATOM   1288 O OE1   . GLN A 1 164 ? -30.792 9.844   -11.626 1    29.13 ?  344 GLN A OE1   1 
ATOM   1289 N NE2   . GLN A 1 164 ? -32.874 10.565  -12.132 1    34.38 ?  344 GLN A NE2   1 
ATOM   1290 N N     . PRO A 1 165 ? -28.805 9.034   -17.8   1    22.91 ?  345 PRO A N     1 
ATOM   1291 C CA    . PRO A 1 165 ? -27.518 9.329   -18.456 1    22.48 ?  345 PRO A CA    1 
ATOM   1292 C C     . PRO A 1 165 ? -27.117 10.789  -18.487 1    23.59 ?  345 PRO A C     1 
ATOM   1293 O O     . PRO A 1 165 ? -25.938 11.082  -18.348 1    23.53 ?  345 PRO A O     1 
ATOM   1294 C CB    . PRO A 1 165 ? -27.691 8.741   -19.862 1    23.54 ?  345 PRO A CB    1 
ATOM   1295 C CG    . PRO A 1 165 ? -29.167 8.618   -20.052 1    24.38 ?  345 PRO A CG    1 
ATOM   1296 C CD    . PRO A 1 165 ? -29.741 8.346   -18.711 1    23.34 ?  345 PRO A CD    1 
ATOM   1297 N N     . ASP A 1 166 ? -28.079 11.731  -18.674 1    24.15 ?  346 ASP A N     1 
ATOM   1298 C CA    . ASP A 1 166 ? -27.713 13.153  -18.684 1    25.2  ?  346 ASP A CA    1 
ATOM   1299 C C     . ASP A 1 166 ? -27.146 13.578  -17.308 1    24.33 ?  346 ASP A C     1 
ATOM   1300 O O     . ASP A 1 166 ? -26.208 14.369  -17.244 1    25.39 ?  346 ASP A O     1 
ATOM   1301 C CB    . ASP A 1 166 ? -28.934 14.026  -19.022 1    27.87 ?  346 ASP A CB    1 
ATOM   1302 C CG    . ASP A 1 166 ? -29.489 13.909  -20.436 1    34.07 ?  346 ASP A CG    1 
ATOM   1303 O OD1   . ASP A 1 166 ? -28.77  13.383  -21.326 1    30.72 ?  346 ASP A OD1   1 
ATOM   1304 O OD2   . ASP A 1 166 ? -30.625 14.4    -20.67  1    38.59 -1 346 ASP A OD2   1 
ATOM   1305 N N     . ARG A 1 167 ? -27.658 13.004  -16.23  1    23.96 ?  347 ARG A N     1 
ATOM   1306 C CA    . ARG A 1 167 ? -27.154 13.308  -14.88  1    24.49 ?  347 ARG A CA    1 
ATOM   1307 C C     . ARG A 1 167 ? -25.698 12.83   -14.718 1    24.41 ?  347 ARG A C     1 
ATOM   1308 O O     . ARG A 1 167 ? -24.847 13.551  -14.18  1    25.55 ?  347 ARG A O     1 
ATOM   1309 C CB    . ARG A 1 167 ? -28.028 12.59   -13.862 1    27.06 ?  347 ARG A CB    1 
ATOM   1310 C CG    . ARG A 1 167 ? -27.704 12.979  -12.45  1    31.44 ?  347 ARG A CG    1 
ATOM   1311 C CD    . ARG A 1 167 ? -28.931 12.814  -11.607 1    36.58 ?  347 ARG A CD    1 
ATOM   1312 N NE    . ARG A 1 167 ? -28.612 13.05   -10.209 1    39    ?  347 ARG A NE    1 
ATOM   1313 C CZ    . ARG A 1 167 ? -28.984 12.264  -9.212  1    38.84 ?  347 ARG A CZ    1 
ATOM   1314 N NH1   . ARG A 1 167 ? -29.726 11.187  -9.445  1    34.09 1  347 ARG A NH1   1 
ATOM   1315 N NH2   . ARG A 1 167 ? -28.658 12.571  -7.964  1    40.38 ?  347 ARG A NH2   1 
ATOM   1316 N N     . VAL A 1 168 ? -25.412 11.647  -15.275 1    23.52 ?  348 VAL A N     1 
ATOM   1317 C CA    . VAL A 1 168 ? -24.068 11.066  -15.277 1    22.52 ?  348 VAL A CA    1 
ATOM   1318 C C     . VAL A 1 168 ? -23.115 11.91   -16.127 1    23.31 ?  348 VAL A C     1 
ATOM   1319 O O     . VAL A 1 168 ? -22.026 12.243  -15.69  1    24.25 ?  348 VAL A O     1 
ATOM   1320 C CB    . VAL A 1 168 ? -24.115 9.59    -15.724 1    22.41 ?  348 VAL A CB    1 
ATOM   1321 C CG1   . VAL A 1 168 ? -22.704 9.005   -15.786 1    22.86 ?  348 VAL A CG1   1 
ATOM   1322 C CG2   . VAL A 1 168 ? -24.966 8.767   -14.794 1    22.03 ?  348 VAL A CG2   1 
ATOM   1323 N N     . ASP A 1 169 ? -23.579 12.386  -17.293 1    23.73 ?  349 ASP A N     1 
ATOM   1324 C CA    . ASP A 1 169 ? -22.786 13.28   -18.137 1    25.9  ?  349 ASP A CA    1 
ATOM   1325 C C     . ASP A 1 169 ? -22.43  14.559  -17.366 1    26.34 ?  349 ASP A C     1 
ATOM   1326 O O     . ASP A 1 169 ? -21.306 15.027  -17.452 1    26.55 ?  349 ASP A O     1 
ATOM   1327 C CB    . ASP A 1 169 ? -23.592 13.682  -19.386 1    28.25 ?  349 ASP A CB    1 
ATOM   1328 C CG    . ASP A 1 169 ? -23.641 12.619  -20.453 1    35.24 ?  349 ASP A CG    1 
ATOM   1329 O OD1   . ASP A 1 169 ? -22.729 11.774  -20.488 1    36.93 ?  349 ASP A OD1   1 
ATOM   1330 O OD2   . ASP A 1 169 ? -24.594 12.631  -21.256 1    38.12 -1 349 ASP A OD2   1 
ATOM   1331 N N     . MET A 1 170 ? -23.385 15.112  -16.602 1    27.08 ?  350 MET A N     1 
ATOM   1332 C CA    A MET A 1 170 ? -23.163 16.329  -15.825 0.5  28.31 ?  350 MET A CA    1 
ATOM   1333 C CA    B MET A 1 170 ? -23.122 16.334  -15.853 0.5  28.33 ?  350 MET A CA    1 
ATOM   1334 C C     . MET A 1 170 ? -22.16  16.128  -14.693 1    28.56 ?  350 MET A C     1 
ATOM   1335 O O     . MET A 1 170 ? -21.405 17.032  -14.365 1    28.8  ?  350 MET A O     1 
ATOM   1336 C CB    A MET A 1 170 ? -24.492 16.839  -15.258 0.5  30.04 ?  350 MET A CB    1 
ATOM   1337 C CB    B MET A 1 170 ? -24.42  16.982  -15.413 0.5  30.14 ?  350 MET A CB    1 
ATOM   1338 C CG    A MET A 1 170 ? -25.399 17.434  -16.308 0.5  33.8  ?  350 MET A CG    1 
ATOM   1339 C CG    B MET A 1 170 ? -25.227 17.451  -16.589 0.5  34.04 ?  350 MET A CG    1 
ATOM   1340 S SD    A MET A 1 170 ? -24.692 18.947  -17.004 0.5  40.05 ?  350 MET A SD    1 
ATOM   1341 S SD    B MET A 1 170 ? -26.548 18.575  -16.116 0.5  41.28 ?  350 MET A SD    1 
ATOM   1342 C CE    A MET A 1 170 ? -26.152 19.683  -17.729 0.5  38.57 ?  350 MET A CE    1 
ATOM   1343 C CE    B MET A 1 170 ? -25.622 19.852  -15.306 0.5  39.9  ?  350 MET A CE    1 
ATOM   1344 N N     . LEU A 1 171 ? -22.182 14.958  -14.076 1    28.44 ?  351 LEU A N     1 
ATOM   1345 C CA    . LEU A 1 171 ? -21.263 14.622  -13     1    28.62 ?  351 LEU A CA    1 
ATOM   1346 C C     . LEU A 1 171 ? -19.834 14.424  -13.532 1    27.84 ?  351 LEU A C     1 
ATOM   1347 O O     . LEU A 1 171 ? -18.865 14.712  -12.837 1    28.39 ?  351 LEU A O     1 
ATOM   1348 C CB    . LEU A 1 171 ? -21.766 13.321  -12.376 1    30.21 ?  351 LEU A CB    1 
ATOM   1349 C CG    . LEU A 1 171 ? -21.351 13.023  -10.96  1    34.32 ?  351 LEU A CG    1 
ATOM   1350 C CD1   . LEU A 1 171 ? -21.777 14.168  -10.004 1    35.51 ?  351 LEU A CD1   1 
ATOM   1351 C CD2   . LEU A 1 171 ? -21.979 11.733  -10.516 1    34.35 ?  351 LEU A CD2   1 
ATOM   1352 N N     . GLN A 1 172 ? -19.691 13.952  -14.776 1    25.94 ?  352 GLN A N     1 
ATOM   1353 C CA    . GLN A 1 172 ? -18.396 13.727  -15.382 1    25.19 ?  352 GLN A CA    1 
ATOM   1354 C C     . GLN A 1 172 ? -17.718 15.036  -15.784 1    26.87 ?  352 GLN A C     1 
ATOM   1355 O O     . GLN A 1 172 ? -16.502 15.14   -15.741 1    26.71 ?  352 GLN A O     1 
ATOM   1356 C CB    . GLN A 1 172 ? -18.586 12.864  -16.622 1    24.62 ?  352 GLN A CB    1 
ATOM   1357 C CG    . GLN A 1 172 ? -17.283 12.372  -17.219 1    25.16 ?  352 GLN A CG    1 
ATOM   1358 C CD    . GLN A 1 172 ? -17.465 11.774  -18.584 1    27.44 ?  352 GLN A CD    1 
ATOM   1359 O OE1   . GLN A 1 172 ? -18.192 12.3    -19.433 1    28.57 ?  352 GLN A OE1   1 
ATOM   1360 N NE2   . GLN A 1 172 ? -16.825 10.645  -18.831 1    25.96 ?  352 GLN A NE2   1 
ATOM   1361 N N     . GLU A 1 173 ? -18.504 16.035  -16.259 1    28.03 ?  353 GLU A N     1 
ATOM   1362 C CA    . GLU A 1 173 ? -17.921 17.307  -16.718 1    29.26 ?  353 GLU A CA    1 
ATOM   1363 C C     . GLU A 1 173 ? -16.893 17.939  -15.734 1    29.58 ?  353 GLU A C     1 
ATOM   1364 O O     . GLU A 1 173 ? -15.756 18.198  -16.149 1    31.27 ?  353 GLU A O     1 
ATOM   1365 C CB    . GLU A 1 173 ? -19.012 18.339  -17.092 1    32.31 ?  353 GLU A CB    1 
ATOM   1366 C CG    . GLU A 1 173 ? -19.952 17.948  -18.212 1    39.65 ?  353 GLU A CG    1 
ATOM   1367 C CD    . GLU A 1 173 ? -21.053 18.97   -18.437 1    50.21 ?  353 GLU A CD    1 
ATOM   1368 O OE1   . GLU A 1 173 ? -21.448 19.648  -17.459 1    53.27 ?  353 GLU A OE1   1 
ATOM   1369 O OE2   . GLU A 1 173 ? -21.513 19.106  -19.594 1    53.85 -1 353 GLU A OE2   1 
ATOM   1370 N N     . PRO A 1 174 ? -17.218 18.13   -14.441 1    29.19 ?  354 PRO A N     1 
ATOM   1371 C CA    . PRO A 1 174 ? -16.227 18.712  -13.522 1    28.57 ?  354 PRO A CA    1 
ATOM   1372 C C     . PRO A 1 174 ? -14.964 17.875  -13.408 1    28.08 ?  354 PRO A C     1 
ATOM   1373 O O     . PRO A 1 174 ? -13.912 18.446  -13.199 1    28.68 ?  354 PRO A O     1 
ATOM   1374 C CB    . PRO A 1 174 ? -16.964 18.781  -12.185 1    29.9  ?  354 PRO A CB    1 
ATOM   1375 C CG    . PRO A 1 174 ? -18.391 18.713  -12.512 1    30.26 ?  354 PRO A CG    1 
ATOM   1376 C CD    . PRO A 1 174 ? -18.502 17.896  -13.76  1    28.16 ?  354 PRO A CD    1 
ATOM   1377 N N     . LEU A 1 175 ? -15.072 16.533  -13.527 1    26.91 ?  355 LEU A N     1 
ATOM   1378 C CA    . LEU A 1 175 ? -13.908 15.653  -13.437 1    26.69 ?  355 LEU A CA    1 
ATOM   1379 C C     . LEU A 1 175 ? -12.988 15.915  -14.633 1    27.08 ?  355 LEU A C     1 
ATOM   1380 O O     . LEU A 1 175 ? -11.762 15.974  -14.473 1    27.46 ?  355 LEU A O     1 
ATOM   1381 C CB    . LEU A 1 175 ? -14.359 14.182  -13.428 1    26.42 ?  355 LEU A CB    1 
ATOM   1382 C CG    . LEU A 1 175 ? -15.164 13.736  -12.213 1    28.05 ?  355 LEU A CG    1 
ATOM   1383 C CD1   . LEU A 1 175 ? -15.777 12.331  -12.467 1    28.55 ?  355 LEU A CD1   1 
ATOM   1384 C CD2   . LEU A 1 175 ? -14.324 13.701  -10.957 1    29.35 ?  355 LEU A CD2   1 
ATOM   1385 N N     . LEU A 1 176 ? -13.57  16.053  -15.842 1    26.33 ?  356 LEU A N     1 
ATOM   1386 C CA    . LEU A 1 176 ? -12.765 16.339  -17.031 1    27.69 ?  356 LEU A CA    1 
ATOM   1387 C C     . LEU A 1 176 ? -12.115 17.726  -16.896 1    28.77 ?  356 LEU A C     1 
ATOM   1388 O O     . LEU A 1 176 ? -10.961 17.872  -17.27  1    28.94 ?  356 LEU A O     1 
ATOM   1389 C CB    . LEU A 1 176 ? -13.617 16.324  -18.31  1    28.96 ?  356 LEU A CB    1 
ATOM   1390 C CG    . LEU A 1 176 ? -13.959 14.951  -18.84  1    32.31 ?  356 LEU A CG    1 
ATOM   1391 C CD1   . LEU A 1 176 ? -15.177 15.026  -19.742 1    33.58 ?  356 LEU A CD1   1 
ATOM   1392 C CD2   . LEU A 1 176 ? -12.775 14.343  -19.561 1    32.9  ?  356 LEU A CD2   1 
ATOM   1393 N N     . GLU A 1 177 ? -12.862 18.732  -16.393 1    30.26 ?  357 GLU A N     1 
ATOM   1394 C CA    . GLU A 1 177 ? -12.308 20.089  -16.216 1    32.15 ?  357 GLU A CA    1 
ATOM   1395 C C     . GLU A 1 177 ? -11.158 20.054  -15.21  1    33.22 ?  357 GLU A C     1 
ATOM   1396 O O     . GLU A 1 177 ? -10.15  20.723  -15.424 1    34.92 ?  357 GLU A O     1 
ATOM   1397 C CB    . GLU A 1 177 ? -13.36  21.094  -15.7   1    35.62 ?  357 GLU A CB    1 
ATOM   1398 C CG    . GLU A 1 177 ? -14.649 21.173  -16.497 1    41.23 ?  357 GLU A CG    1 
ATOM   1399 C CD    . GLU A 1 177 ? -15.825 21.797  -15.76  1    52.08 ?  357 GLU A CD    1 
ATOM   1400 O OE1   . GLU A 1 177 ? -15.617 22.375  -14.668 1    53.22 ?  357 GLU A OE1   1 
ATOM   1401 O OE2   . GLU A 1 177 ? -16.965 21.692  -16.272 1    55.84 -1 357 GLU A OE2   1 
ATOM   1402 N N     . ALA A 1 178 ? -11.298 19.282  -14.124 1    32.5  ?  358 ALA A N     1 
ATOM   1403 C CA    . ALA A 1 178 ? -10.27  19.185  -13.08  1    32.02 ?  358 ALA A CA    1 
ATOM   1404 C C     . ALA A 1 178 ? -9.012  18.537  -13.584 1    31.51 ?  358 ALA A C     1 
ATOM   1405 O O     . ALA A 1 178 ? -7.913  19.006  -13.258 1    32.17 ?  358 ALA A O     1 
ATOM   1406 C CB    . ALA A 1 178 ? -10.793 18.424  -11.867 1    33.02 ?  358 ALA A CB    1 
ATOM   1407 N N     . LEU A 1 179 ? -9.135  17.477  -14.387 1    30.01 ?  359 LEU A N     1 
ATOM   1408 C CA    . LEU A 1 179 ? -7.956  16.825  -14.964 1    29.76 ?  359 LEU A CA    1 
ATOM   1409 C C     . LEU A 1 179 ? -7.209  17.806  -15.865 1    30.8  ?  359 LEU A C     1 
ATOM   1410 O O     . LEU A 1 179 ? -5.981  17.901  -15.799 1    31.47 ?  359 LEU A O     1 
ATOM   1411 C CB    . LEU A 1 179 ? -8.337  15.572  -15.759 1    29.5  ?  359 LEU A CB    1 
ATOM   1412 C CG    . LEU A 1 179 ? -7.154  14.791  -16.346 1    31.21 ?  359 LEU A CG    1 
ATOM   1413 C CD1   . LEU A 1 179 ? -6.255  14.233  -15.23  1    32.13 ?  359 LEU A CD1   1 
ATOM   1414 C CD2   . LEU A 1 179 ? -7.626  13.62   -17.177 1    31.75 ?  359 LEU A CD2   1 
ATOM   1415 N N     . LYS A 1 180 ? -7.959  18.564  -16.679 1    31.01 ?  360 LYS A N     1 
ATOM   1416 C CA    . LYS A 1 180 ? -7.346  19.553  -17.56  1    32.36 ?  360 LYS A CA    1 
ATOM   1417 C C     . LYS A 1 180 ? -6.557  20.613  -16.789 1    33.92 ?  360 LYS A C     1 
ATOM   1418 O O     . LYS A 1 180 ? -5.413  20.864  -17.172 1    35.54 ?  360 LYS A O     1 
ATOM   1419 C CB    . LYS A 1 180 ? -8.403  20.215  -18.453 1    34.04 ?  360 LYS A CB    1 
ATOM   1420 C CG    . LYS A 1 180 ? -7.793  21.047  -19.565 1    38.71 ?  360 LYS A CG    1 
ATOM   1421 C CD    . LYS A 1 180 ? -8.808  21.437  -20.647 1    43.64 ?  360 LYS A CD    1 
ATOM   1422 C CE    . LYS A 1 180 ? -9.932  22.29   -20.121 1    49.58 ?  360 LYS A CE    1 
ATOM   1423 N NZ    . LYS A 1 180 ? -10.792 22.821  -21.224 1    52.9  1  360 LYS A NZ    1 
ATOM   1424 N N     . VAL A 1 181 ? -7.126  21.234  -15.73  1    34.28 ?  361 VAL A N     1 
ATOM   1425 C CA    . VAL A 1 181 ? -6.361  22.275  -15.005 1    35.27 ?  361 VAL A CA    1 
ATOM   1426 C C     . VAL A 1 181 ? -5.205  21.643  -14.232 1    34.51 ?  361 VAL A C     1 
ATOM   1427 O O     . VAL A 1 181 ? -4.126  22.232  -14.193 1    34.61 ?  361 VAL A O     1 
ATOM   1428 C CB    . VAL A 1 181 ? -7.153  23.321  -14.149 1    37.52 ?  361 VAL A CB    1 
ATOM   1429 C CG1   . VAL A 1 181 ? -8.628  23.382  -14.501 1    38.68 ?  361 VAL A CG1   1 
ATOM   1430 C CG2   . VAL A 1 181 ? -6.935  23.187  -12.638 1    38.21 ?  361 VAL A CG2   1 
ATOM   1431 N N     . TYR A 1 182 ? -5.401  20.441  -13.677 1    33.66 ?  362 TYR A N     1 
ATOM   1432 C CA    . TYR A 1 182 ? -4.342  19.796  -12.903 1    33.1  ?  362 TYR A CA    1 
ATOM   1433 C C     . TYR A 1 182 ? -3.142  19.433  -13.757 1    33.37 ?  362 TYR A C     1 
ATOM   1434 O O     . TYR A 1 182 ? -2.009  19.682  -13.365 1    33.01 ?  362 TYR A O     1 
ATOM   1435 C CB    . TYR A 1 182 ? -4.871  18.552  -12.2   1    33.01 ?  362 TYR A CB    1 
ATOM   1436 C CG    . TYR A 1 182 ? -3.842  17.939  -11.287 1    32.97 ?  362 TYR A CG    1 
ATOM   1437 C CD1   . TYR A 1 182 ? -3.573  18.491  -10.044 1    34.06 ?  362 TYR A CD1   1 
ATOM   1438 C CD2   . TYR A 1 182 ? -3.081  16.855  -11.695 1    33.31 ?  362 TYR A CD2   1 
ATOM   1439 C CE1   . TYR A 1 182 ? -2.623  17.937  -9.201  1    34.81 ?  362 TYR A CE1   1 
ATOM   1440 C CE2   . TYR A 1 182 ? -2.117  16.299  -10.864 1    34.39 ?  362 TYR A CE2   1 
ATOM   1441 C CZ    . TYR A 1 182 ? -1.888  16.85   -9.619  1    35.42 ?  362 TYR A CZ    1 
ATOM   1442 O OH    . TYR A 1 182 ? -0.946  16.324  -8.777  1    37.29 ?  362 TYR A OH    1 
ATOM   1443 N N     . VAL A 1 183 ? -3.378  18.813  -14.912 1    33.86 ?  363 VAL A N     1 
ATOM   1444 C CA    . VAL A 1 183 ? -2.307  18.382  -15.793 1    35.33 ?  363 VAL A CA    1 
ATOM   1445 C C     . VAL A 1 183 ? -1.496  19.569  -16.283 1    37.51 ?  363 VAL A C     1 
ATOM   1446 O O     . VAL A 1 183 ? -0.268  19.518  -16.263 1    37.97 ?  363 VAL A O     1 
ATOM   1447 C CB    . VAL A 1 183 ? -2.899  17.516  -16.929 1    35.82 ?  363 VAL A CB    1 
ATOM   1448 C CG1   . VAL A 1 183 ? -1.918  17.333  -18.078 1    36.41 ?  363 VAL A CG1   1 
ATOM   1449 C CG2   . VAL A 1 183 ? -3.321  16.164  -16.375 1    36.1  ?  363 VAL A CG2   1 
ATOM   1450 N N     . ARG A 1 184 ? -2.179  20.672  -16.616 1    38.67 ?  364 ARG A N     1 
ATOM   1451 C CA    . ARG A 1 184 ? -1.49   21.872  -17.105 1    40.53 ?  364 ARG A CA    1 
ATOM   1452 C C     . ARG A 1 184 ? -0.687  22.554  -16.01  1    41.94 ?  364 ARG A C     1 
ATOM   1453 O O     . ARG A 1 184 ? 0.431   22.994  -16.269 1    42.78 ?  364 ARG A O     1 
ATOM   1454 C CB    . ARG A 1 184 ? -2.478  22.848  -17.773 1    42.88 ?  364 ARG A CB    1 
ATOM   1455 C CG    . ARG A 1 184 ? -2.758  22.525  -19.248 1    48.36 ?  364 ARG A CG    1 
ATOM   1456 C CD    . ARG A 1 184 ? -3.467  21.186  -19.402 1    53.08 ?  364 ARG A CD    1 
ATOM   1457 N NE    . ARG A 1 184 ? -3.197  20.471  -20.649 1    57.51 ?  364 ARG A NE    1 
ATOM   1458 C CZ    . ARG A 1 184 ? -2.05   19.864  -20.944 1    59.6  ?  364 ARG A CZ    1 
ATOM   1459 N NH1   . ARG A 1 184 ? -1.015  19.945  -20.118 1    60.26 1  364 ARG A NH1   1 
ATOM   1460 N NH2   . ARG A 1 184 ? -1.924  19.192  -22.077 1    58.37 ?  364 ARG A NH2   1 
ATOM   1461 N N     . LYS A 1 185 ? -1.234  22.617  -14.787 1    42.35 ?  365 LYS A N     1 
ATOM   1462 C CA    . LYS A 1 185 ? -0.568  23.234  -13.641 1    43.45 ?  365 LYS A CA    1 
ATOM   1463 C C     . LYS A 1 185 ? 0.66    22.428  -13.211 1    44.23 ?  365 LYS A C     1 
ATOM   1464 O O     . LYS A 1 185 ? 1.732   23.002  -12.978 1    44.18 ?  365 LYS A O     1 
ATOM   1465 C CB    . LYS A 1 185 ? -1.551  23.376  -12.47  1    45.75 ?  365 LYS A CB    1 
ATOM   1466 C CG    . LYS A 1 185 ? -0.955  24.054  -11.243 1    50.12 ?  365 LYS A CG    1 
ATOM   1467 C CD    . LYS A 1 185 ? -1.898  23.999  -10.052 1    54.81 ?  365 LYS A CD    1 
ATOM   1468 C CE    . LYS A 1 185 ? -1.299  24.638  -8.821  1    59.04 ?  365 LYS A CE    1 
ATOM   1469 N NZ    . LYS A 1 185 ? -2.129  24.384  -7.611  1    61.07 1  365 LYS A NZ    1 
ATOM   1470 N N     . ARG A 1 186 ? 0.512   21.101  -13.129 1    44.27 ?  366 ARG A N     1 
ATOM   1471 C CA    . ARG A 1 186 ? 1.584   20.203  -12.716 1    44.62 ?  366 ARG A CA    1 
ATOM   1472 C C     . ARG A 1 186 ? 2.745   20.207  -13.7   1    45.32 ?  366 ARG A C     1 
ATOM   1473 O O     . ARG A 1 186 ? 3.898   20.284  -13.277 1    45.55 ?  366 ARG A O     1 
ATOM   1474 C CB    . ARG A 1 186 ? 1.045   18.769  -12.526 1    45.84 ?  366 ARG A CB    1 
ATOM   1475 C CG    . ARG A 1 186 ? 1.964   17.865  -11.709 1    48.51 ?  366 ARG A CG    1 
ATOM   1476 C CD    . ARG A 1 186 ? 1.735   16.392  -12.024 1    51.83 ?  366 ARG A CD    1 
ATOM   1477 N NE    . ARG A 1 186 ? 2.905   15.591  -11.667 1    55.57 ?  366 ARG A NE    1 
ATOM   1478 C CZ    . ARG A 1 186 ? 3.24    14.444  -12.247 1    57.75 ?  366 ARG A CZ    1 
ATOM   1479 N NH1   . ARG A 1 186 ? 2.492   13.941  -13.221 1    55.94 1  366 ARG A NH1   1 
ATOM   1480 N NH2   . ARG A 1 186 ? 4.323   13.788  -11.855 1    58.99 ?  366 ARG A NH2   1 
ATOM   1481 N N     . ARG A 1 187 ? 2.461   20.12   -15.006 1    45.74 ?  367 ARG A N     1 
ATOM   1482 C CA    . ARG A 1 187 ? 3.52    20.085  -16.009 1    46.98 ?  367 ARG A CA    1 
ATOM   1483 C C     . ARG A 1 187 ? 3.274   21.041  -17.189 1    48.35 ?  367 ARG A C     1 
ATOM   1484 O O     . ARG A 1 187 ? 2.927   20.609  -18.289 1    47.94 ?  367 ARG A O     1 
ATOM   1485 C CB    . ARG A 1 187 ? 3.768   18.643  -16.478 1    48.01 ?  367 ARG A CB    1 
ATOM   1486 C CG    . ARG A 1 187 ? 4.385   17.775  -15.377 1    49.88 ?  367 ARG A CG    1 
ATOM   1487 C CD    . ARG A 1 187 ? 4.942   16.462  -15.872 1    52.49 ?  367 ARG A CD    1 
ATOM   1488 N NE    . ARG A 1 187 ? 4.02    15.352  -15.633 1    55.75 ?  367 ARG A NE    1 
ATOM   1489 C CZ    . ARG A 1 187 ? 3.15    14.893  -16.525 1    56.71 ?  367 ARG A CZ    1 
ATOM   1490 N NH1   . ARG A 1 187 ? 3.056   15.457  -17.722 1    57.24 1  367 ARG A NH1   1 
ATOM   1491 N NH2   . ARG A 1 187 ? 2.354   13.876  -16.222 1    54.52 ?  367 ARG A NH2   1 
ATOM   1492 N N     . PRO A 1 188 ? 3.512   22.352  -16.98  1    49.52 ?  368 PRO A N     1 
ATOM   1493 C CA    . PRO A 1 188 ? 3.272   23.328  -18.06  1    50.89 ?  368 PRO A CA    1 
ATOM   1494 C C     . PRO A 1 188 ? 4.19    23.217  -19.272 1    53.16 ?  368 PRO A C     1 
ATOM   1495 O O     . PRO A 1 188 ? 3.849   23.74   -20.333 1    53.73 ?  368 PRO A O     1 
ATOM   1496 C CB    . PRO A 1 188 ? 3.421   24.681  -17.359 1    51.15 ?  368 PRO A CB    1 
ATOM   1497 C CG    . PRO A 1 188 ? 4.287   24.41   -16.185 1    51.12 ?  368 PRO A CG    1 
ATOM   1498 C CD    . PRO A 1 188 ? 3.93    23.017  -15.732 1    49.31 ?  368 PRO A CD    1 
ATOM   1499 N N     . SER A 1 189 ? 5.325   22.509  -19.144 1    54.23 ?  369 SER A N     1 
ATOM   1500 C CA    . SER A 1 189 ? 6.232   22.326  -20.28  1    55.38 ?  369 SER A CA    1 
ATOM   1501 C C     . SER A 1 189 ? 5.721   21.279  -21.292 1    55.67 ?  369 SER A C     1 
ATOM   1502 O O     . SER A 1 189 ? 6.226   21.222  -22.406 1    55.86 ?  369 SER A O     1 
ATOM   1503 C CB    . SER A 1 189 ? 7.636   21.964  -19.803 1    57.62 ?  369 SER A CB    1 
ATOM   1504 O OG    . SER A 1 189 ? 7.751   20.59   -19.462 1    61.04 ?  369 SER A OG    1 
ATOM   1505 N N     . ARG A 1 190 ? 4.758   20.435  -20.904 1    55.63 ?  370 ARG A N     1 
ATOM   1506 C CA    . ARG A 1 190 ? 4.205   19.42   -21.799 1    55.97 ?  370 ARG A CA    1 
ATOM   1507 C C     . ARG A 1 190 ? 2.757   19.771  -22.148 1    55.24 ?  370 ARG A C     1 
ATOM   1508 O O     . ARG A 1 190 ? 1.83    19.373  -21.441 1    55.36 ?  370 ARG A O     1 
ATOM   1509 C CB    . ARG A 1 190 ? 4.269   18.04   -21.141 1    58.08 ?  370 ARG A CB    1 
ATOM   1510 C CG    . ARG A 1 190 ? 5.677   17.619  -20.765 1    62.67 ?  370 ARG A CG    1 
ATOM   1511 C CD    . ARG A 1 190 ? 5.648   16.284  -20.043 1    66.95 ?  370 ARG A CD    1 
ATOM   1512 N NE    . ARG A 1 190 ? 6.745   15.404  -20.448 1    70.42 ?  370 ARG A NE    1 
ATOM   1513 C CZ    . ARG A 1 190 ? 6.72    14.612  -21.516 1    73.27 ?  370 ARG A CZ    1 
ATOM   1514 N NH1   . ARG A 1 190 ? 5.655   14.587  -22.309 1    72.89 1  370 ARG A NH1   1 
ATOM   1515 N NH2   . ARG A 1 190 ? 7.759   13.838  -21.799 1    74.04 ?  370 ARG A NH2   1 
ATOM   1516 N N     . PRO A 1 191 ? 2.545   20.521  -23.237 1    54.32 ?  371 PRO A N     1 
ATOM   1517 C CA    . PRO A 1 191 ? 1.176   20.93   -23.587 1    53.74 ?  371 PRO A CA    1 
ATOM   1518 C C     . PRO A 1 191 ? 0.309   19.862  -24.262 1    52.75 ?  371 PRO A C     1 
ATOM   1519 O O     . PRO A 1 191 ? -0.885  20.096  -24.443 1    53.55 ?  371 PRO A O     1 
ATOM   1520 C CB    . PRO A 1 191 ? 1.383   22.154  -24.491 1    54.8  ?  371 PRO A CB    1 
ATOM   1521 C CG    . PRO A 1 191 ? 2.888   22.348  -24.601 1    55.39 ?  371 PRO A CG    1 
ATOM   1522 C CD    . PRO A 1 191 ? 3.533   21.078  -24.175 1    53.86 ?  371 PRO A CD    1 
ATOM   1523 N N     . HIS A 1 192 ? 0.876   18.707  -24.633 1    50.88 ?  372 HIS A N     1 
ATOM   1524 C CA    . HIS A 1 192 ? 0.076   17.642  -25.248 1    49.68 ?  372 HIS A CA    1 
ATOM   1525 C C     . HIS A 1 192 ? -0.296  16.515  -24.255 1    46.79 ?  372 HIS A C     1 
ATOM   1526 O O     . HIS A 1 192 ? -0.854  15.503  -24.671 1    47.15 ?  372 HIS A O     1 
ATOM   1527 C CB    . HIS A 1 192 ? 0.782   17.062  -26.486 1    51.71 ?  372 HIS A CB    1 
ATOM   1528 C CG    . HIS A 1 192 ? 0.957   18.035  -27.62  1    56.5  ?  372 HIS A CG    1 
ATOM   1529 N ND1   . HIS A 1 192 ? 1.785   17.746  -28.696 1    59.16 ?  372 HIS A ND1   1 
ATOM   1530 C CD2   . HIS A 1 192 ? 0.405   19.259  -27.813 1    58.31 ?  372 HIS A CD2   1 
ATOM   1531 C CE1   . HIS A 1 192 ? 1.715   18.797  -29.501 1    59.73 ?  372 HIS A CE1   1 
ATOM   1532 N NE2   . HIS A 1 192 ? 0.898   19.734  -29.013 1    59.72 ?  372 HIS A NE2   1 
ATOM   1533 N N     . MET A 1 193 ? -0.017  16.689  -22.96  1    43.9  ?  373 MET A N     1 
ATOM   1534 C CA    . MET A 1 193 ? -0.271  15.653  -21.964 1    41.85 ?  373 MET A CA    1 
ATOM   1535 C C     . MET A 1 193 ? -1.758  15.304  -21.77  1    39.39 ?  373 MET A C     1 
ATOM   1536 O O     . MET A 1 193 ? -2.116  14.128  -21.845 1    38.91 ?  373 MET A O     1 
ATOM   1537 C CB    . MET A 1 193 ? 0.39    16.036  -20.642 1    42.63 ?  373 MET A CB    1 
ATOM   1538 C CG    . MET A 1 193 ? 0.309   14.969  -19.597 1    44.41 ?  373 MET A CG    1 
ATOM   1539 S SD    . MET A 1 193 ? 1.023   13.359  -20.042 1    50.09 ?  373 MET A SD    1 
ATOM   1540 C CE    . MET A 1 193 ? 2.643   13.825  -20.616 1    45.74 ?  373 MET A CE    1 
ATOM   1541 N N     . PHE A 1 194 ? -2.616  16.308  -21.581 1    37.61 ?  374 PHE A N     1 
ATOM   1542 C CA    . PHE A 1 194 ? -4.056  16.114  -21.41  1    36.33 ?  374 PHE A CA    1 
ATOM   1543 C C     . PHE A 1 194 ? -4.703  15.295  -22.558 1    36.11 ?  374 PHE A C     1 
ATOM   1544 O O     . PHE A 1 194 ? -5.299  14.249  -22.247 1    35.82 ?  374 PHE A O     1 
ATOM   1545 C CB    . PHE A 1 194 ? -4.767  17.448  -21.166 1    36.13 ?  374 PHE A CB    1 
ATOM   1546 C CG    . PHE A 1 194 ? -6.25   17.335  -20.937 1    36.22 ?  374 PHE A CG    1 
ATOM   1547 C CD1   . PHE A 1 194 ? -6.746  16.665  -19.836 1    37.05 ?  374 PHE A CD1   1 
ATOM   1548 C CD2   . PHE A 1 194 ? -7.148  17.938  -21.797 1    36.75 ?  374 PHE A CD2   1 
ATOM   1549 C CE1   . PHE A 1 194 ? -8.113  16.567  -19.62  1    37.65 ?  374 PHE A CE1   1 
ATOM   1550 C CE2   . PHE A 1 194 ? -8.515  17.851  -21.572 1    37.72 ?  374 PHE A CE2   1 
ATOM   1551 C CZ    . PHE A 1 194 ? -8.99   17.173  -20.482 1    37.49 ?  374 PHE A CZ    1 
ATOM   1552 N N     . PRO A 1 195 ? -4.557  15.642  -23.869 1    35.87 ?  375 PRO A N     1 
ATOM   1553 C CA    . PRO A 1 195 ? -5.136  14.775  -24.91  1    35.58 ?  375 PRO A CA    1 
ATOM   1554 C C     . PRO A 1 195 ? -4.521  13.378  -24.939 1    34.48 ?  375 PRO A C     1 
ATOM   1555 O O     . PRO A 1 195 ? -5.244  12.423  -25.214 1    34.8  ?  375 PRO A O     1 
ATOM   1556 C CB    . PRO A 1 195 ? -4.881  15.539  -26.225 1    37.09 ?  375 PRO A CB    1 
ATOM   1557 C CG    . PRO A 1 195 ? -3.774  16.456  -25.92  1    37.57 ?  375 PRO A CG    1 
ATOM   1558 C CD    . PRO A 1 195 ? -3.913  16.829  -24.466 1    35.69 ?  375 PRO A CD    1 
ATOM   1559 N N     . LYS A 1 196 ? -3.22   13.233  -24.614 1    33.34 ?  376 LYS A N     1 
ATOM   1560 C CA    . LYS A 1 196 ? -2.605  11.907  -24.559 1    33.19 ?  376 LYS A CA    1 
ATOM   1561 C C     . LYS A 1 196 ? -3.244  11.068  -23.448 1    32.02 ?  376 LYS A C     1 
ATOM   1562 O O     . LYS A 1 196 ? -3.463  9.879   -23.646 1    32.06 ?  376 LYS A O     1 
ATOM   1563 C CB    . LYS A 1 196 ? -1.09   11.995  -24.33  1    36.24 ?  376 LYS A CB    1 
ATOM   1564 C CG    . LYS A 1 196 ? -0.328  12.362  -25.592 1    41.83 ?  376 LYS A CG    1 
ATOM   1565 C CD    . LYS A 1 196 ? 1.183   12.319  -25.393 1    48.13 ?  376 LYS A CD    1 
ATOM   1566 C CE    . LYS A 1 196 ? 1.89    12.52   -26.715 1    52.69 ?  376 LYS A CE    1 
ATOM   1567 N NZ    . LYS A 1 196 ? 3.263   11.938  -26.706 1    55.75 1  376 LYS A NZ    1 
ATOM   1568 N N     . MET A 1 197 ? -3.541  11.677  -22.296 1    31.25 ?  377 MET A N     1 
ATOM   1569 C CA    . MET A 1 197 ? -4.192  10.94   -21.203 1    30.92 ?  377 MET A CA    1 
ATOM   1570 C C     . MET A 1 197 ? -5.607  10.539  -21.603 1    31.13 ?  377 MET A C     1 
ATOM   1571 O O     . MET A 1 197 ? -6.022  9.408   -21.353 1    30.92 ?  377 MET A O     1 
ATOM   1572 C CB    . MET A 1 197 ? -4.228  11.773  -19.925 1    31.83 ?  377 MET A CB    1 
ATOM   1573 C CG    . MET A 1 197 ? -2.915  11.885  -19.27  1    33.94 ?  377 MET A CG    1 
ATOM   1574 S SD    . MET A 1 197 ? -3.142  12.829  -17.76  1    39.41 ?  377 MET A SD    1 
ATOM   1575 C CE    . MET A 1 197 ? -1.428  13.043  -17.283 1    40.94 ?  377 MET A CE    1 
ATOM   1576 N N     . LEU A 1 198 ? -6.35   11.448  -22.254 1    32.03 ?  378 LEU A N     1 
ATOM   1577 C CA    . LEU A 1 198 ? -7.723  11.118  -22.687 1    33.82 ?  378 LEU A CA    1 
ATOM   1578 C C     . LEU A 1 198 ? -7.747  9.957   -23.649 1    34.39 ?  378 LEU A C     1 
ATOM   1579 O O     . LEU A 1 198 ? -8.645  9.124   -23.561 1    34.82 ?  378 LEU A O     1 
ATOM   1580 C CB    . LEU A 1 198 ? -8.423  12.316  -23.32  1    34.59 ?  378 LEU A CB    1 
ATOM   1581 C CG    . LEU A 1 198 ? -8.601  13.503  -22.406 1    37.27 ?  378 LEU A CG    1 
ATOM   1582 C CD1   . LEU A 1 198 ? -9.139  14.676  -23.166 1    38.38 ?  378 LEU A CD1   1 
ATOM   1583 C CD2   . LEU A 1 198 ? -9.488  13.161  -21.237 1    38.11 ?  378 LEU A CD2   1 
ATOM   1584 N N     . MET A 1 199 ? -6.748  9.865   -24.534 1    34.89 ?  379 MET A N     1 
ATOM   1585 C CA    . MET A 1 199 ? -6.658  8.757   -25.485 1    36.1  ?  379 MET A CA    1 
ATOM   1586 C C     . MET A 1 199 ? -6.514  7.395   -24.803 1    35.57 ?  379 MET A C     1 
ATOM   1587 O O     . MET A 1 199 ? -6.949  6.385   -25.367 1    35.69 ?  379 MET A O     1 
ATOM   1588 C CB    . MET A 1 199 ? -5.521  8.974   -26.499 1    38.89 ?  379 MET A CB    1 
ATOM   1589 C CG    . MET A 1 199 ? -5.936  9.776   -27.72  1    45.19 ?  379 MET A CG    1 
ATOM   1590 S SD    . MET A 1 199 ? -7.243  8.984   -28.696 1    59.02 ?  379 MET A SD    1 
ATOM   1591 C CE    . MET A 1 199 ? -8.612  10.169  -28.423 1    55.14 ?  379 MET A CE    1 
ATOM   1592 N N     . LYS A 1 200 ? -5.949  7.361   -23.578 1    34.37 ?  380 LYS A N     1 
ATOM   1593 C CA    . LYS A 1 200 ? -5.807  6.118   -22.823 1    33.65 ?  380 LYS A CA    1 
ATOM   1594 C C     . LYS A 1 200 ? -7.184  5.557   -22.427 1    32.95 ?  380 LYS A C     1 
ATOM   1595 O O     . LYS A 1 200 ? -7.345  4.345   -22.331 1    33.38 ?  380 LYS A O     1 
ATOM   1596 C CB    . LYS A 1 200 ? -4.918  6.33    -21.583 1    35.18 ?  380 LYS A CB    1 
ATOM   1597 C CG    . LYS A 1 200 ? -3.529  6.874   -21.91  1    37.59 ?  380 LYS A CG    1 
ATOM   1598 C CD    . LYS A 1 200 ? -2.687  5.872   -22.694 1    40.81 ?  380 LYS A CD    1 
ATOM   1599 C CE    . LYS A 1 200 ? -1.412  6.505   -23.208 1    45.14 ?  380 LYS A CE    1 
ATOM   1600 N NZ    . LYS A 1 200 ? -1.692  7.612   -24.172 1    47.05 1  380 LYS A NZ    1 
ATOM   1601 N N     . ILE A 1 201 ? -8.198  6.427   -22.228 1    31.68 ?  381 ILE A N     1 
ATOM   1602 C CA    . ILE A 1 201 ? -9.555  5.961   -21.929 1    31.97 ?  381 ILE A CA    1 
ATOM   1603 C C     . ILE A 1 201 ? -10.126 5.21    -23.115 1    31.65 ?  381 ILE A C     1 
ATOM   1604 O O     . ILE A 1 201 ? -10.8   4.202   -22.937 1    31.87 ?  381 ILE A O     1 
ATOM   1605 C CB    . ILE A 1 201 ? -10.457 7.159   -21.536 1    34.06 ?  381 ILE A CB    1 
ATOM   1606 C CG1   . ILE A 1 201 ? -9.839  7.924   -20.346 1    36.46 ?  381 ILE A CG1   1 
ATOM   1607 C CG2   . ILE A 1 201 ? -11.884 6.682   -21.228 1    34.86 ?  381 ILE A CG2   1 
ATOM   1608 C CD1   . ILE A 1 201 ? -10.519 9.167   -19.994 1    38.95 ?  381 ILE A CD1   1 
ATOM   1609 N N     . THR A 1 202 ? -9.842  5.681   -24.351 1    31.79 ?  382 THR A N     1 
ATOM   1610 C CA    . THR A 1 202 ? -10.306 5.015   -25.552 1    32.81 ?  382 THR A CA    1 
ATOM   1611 C C     . THR A 1 202 ? -9.61   3.671   -25.712 1    32.61 ?  382 THR A C     1 
ATOM   1612 O O     . THR A 1 202 ? -10.274 2.662   -25.972 1    33.3  ?  382 THR A O     1 
ATOM   1613 C CB    . THR A 1 202 ? -10.082 5.935   -26.763 1    35.98 ?  382 THR A CB    1 
ATOM   1614 O OG1   . THR A 1 202 ? -10.727 7.186   -26.491 1    38.46 ?  382 THR A OG1   1 
ATOM   1615 C CG2   . THR A 1 202 ? -10.634 5.342   -28.038 1    37.09 ?  382 THR A CG2   1 
ATOM   1616 N N     . ASP A 1 203 ? -8.268  3.63    -25.52  1    32.14 ?  383 ASP A N     1 
ATOM   1617 C CA    . ASP A 1 203 ? -7.508  2.371   -25.622 1    32.53 ?  383 ASP A CA    1 
ATOM   1618 C C     . ASP A 1 203 ? -8.032  1.364   -24.607 1    31.52 ?  383 ASP A C     1 
ATOM   1619 O O     . ASP A 1 203 ? -8.309  0.219   -24.934 1    32.21 ?  383 ASP A O     1 
ATOM   1620 C CB    . ASP A 1 203 ? -6.005  2.6     -25.364 1    35.31 ?  383 ASP A CB    1 
ATOM   1621 C CG    . ASP A 1 203 ? -5.346  3.639   -26.241 1    43.27 ?  383 ASP A CG    1 
ATOM   1622 O OD1   . ASP A 1 203 ? -5.887  3.927   -27.329 1    44.56 ?  383 ASP A OD1   1 
ATOM   1623 O OD2   . ASP A 1 203 ? -4.278  4.172   -25.836 1    46.74 -1 383 ASP A OD2   1 
ATOM   1624 N N     . LEU A 1 204 ? -8.281  1.837   -23.399 1    29.69 ?  384 LEU A N     1 
ATOM   1625 C CA    . LEU A 1 204 ? -8.789  1.026   -22.318 1    29.45 ?  384 LEU A CA    1 
ATOM   1626 C C     . LEU A 1 204 ? -10.161 0.421   -22.613 1    29.88 ?  384 LEU A C     1 
ATOM   1627 O O     . LEU A 1 204 ? -10.36  -0.763  -22.364 1    30.91 ?  384 LEU A O     1 
ATOM   1628 C CB    . LEU A 1 204 ? -8.828  1.916   -21.08  1    29.16 ?  384 LEU A CB    1 
ATOM   1629 C CG    . LEU A 1 204 ? -8.748  1.278   -19.751 1    29.1  ?  384 LEU A CG    1 
ATOM   1630 C CD1   . LEU A 1 204 ? -7.627  0.226   -19.676 1    28.01 ?  384 LEU A CD1   1 
ATOM   1631 C CD2   . LEU A 1 204 ? -8.639  2.343   -18.684 1    29.14 ?  384 LEU A CD2   1 
ATOM   1632 N N     . ARG A 1 205 ? -11.085 1.192   -23.213 1    29.04 ?  385 ARG A N     1 
ATOM   1633 C CA    . ARG A 1 205 ? -12.414 0.663   -23.555 1    28.91 ?  385 ARG A CA    1 
ATOM   1634 C C     . ARG A 1 205 ? -12.305 -0.446  -24.606 1    28.08 ?  385 ARG A C     1 
ATOM   1635 O O     . ARG A 1 205 ? -13.068 -1.416  -24.559 1    28.08 ?  385 ARG A O     1 
ATOM   1636 C CB    . ARG A 1 205 ? -13.338 1.802   -24.038 1    30.85 ?  385 ARG A CB    1 
ATOM   1637 N N     . SER A 1 206 ? -11.346 -0.328  -25.55  1    28.18 ?  386 SER A N     1 
ATOM   1638 C CA    A SER A 1 206 ? -11.144 -1.365  -26.56  0.5  28.99 ?  386 SER A CA    1 
ATOM   1639 C CA    B SER A 1 206 ? -11.14  -1.368  -26.559 0.5  28.99 ?  386 SER A CA    1 
ATOM   1640 C C     . SER A 1 206 ? -10.639 -2.645  -25.885 1    28.99 ?  386 SER A C     1 
ATOM   1641 O O     . SER A 1 206 ? -11.098 -3.749  -26.212 1    29.69 ?  386 SER A O     1 
ATOM   1642 C CB    A SER A 1 206 ? -10.143 -0.897  -27.612 0.5  30.99 ?  386 SER A CB    1 
ATOM   1643 C CB    B SER A 1 206 ? -10.125 -0.908  -27.6   0.5  30.94 ?  386 SER A CB    1 
ATOM   1644 O OG    A SER A 1 206 ? -9.832  -1.94   -28.52  0.5  34.06 ?  386 SER A OG    1 
ATOM   1645 O OG    B SER A 1 206 ? -10.582 0.251   -28.271 0.5  33.96 ?  386 SER A OG    1 
ATOM   1646 N N     . ILE A 1 207 ? -9.7    -2.506  -24.936 1    27.87 ?  387 ILE A N     1 
ATOM   1647 C CA    . ILE A 1 207 ? -9.185  -3.681  -24.239 1    28.23 ?  387 ILE A CA    1 
ATOM   1648 C C     . ILE A 1 207 ? -10.291 -4.312  -23.386 1    27.66 ?  387 ILE A C     1 
ATOM   1649 O O     . ILE A 1 207 ? -10.432 -5.525  -23.389 1    27.93 ?  387 ILE A O     1 
ATOM   1650 C CB    . ILE A 1 207 ? -7.954  -3.306  -23.39  1    30.27 ?  387 ILE A CB    1 
ATOM   1651 C CG1   . ILE A 1 207 ? -6.874  -2.702  -24.272 1    32.02 ?  387 ILE A CG1   1 
ATOM   1652 C CG2   . ILE A 1 207 ? -7.426  -4.53   -22.656 1    31.18 ?  387 ILE A CG2   1 
ATOM   1653 C CD1   . ILE A 1 207 ? -5.745  -2.052  -23.446 1    34.05 ?  387 ILE A CD1   1 
ATOM   1654 N N     . SER A 1 208 ? -11.125 -3.499  -22.702 1    28.4  ?  388 SER A N     1 
ATOM   1655 C CA    . SER A 1 208 ? -12.198 -4.056  -21.876 1    29.28 ?  388 SER A CA    1 
ATOM   1656 C C     . SER A 1 208 ? -13.264 -4.757  -22.695 1    29.79 ?  388 SER A C     1 
ATOM   1657 O O     . SER A 1 208 ? -13.815 -5.746  -22.224 1    30.42 ?  388 SER A O     1 
ATOM   1658 C CB    . SER A 1 208 ? -12.786 -3.02   -20.925 1    33.21 ?  388 SER A CB    1 
ATOM   1659 O OG    . SER A 1 208 ? -13.46  -1.983  -21.618 1    39.86 ?  388 SER A OG    1 
ATOM   1660 N N     . ALA A 1 209 ? -13.503 -4.327  -23.942 1    29.82 ?  389 ALA A N     1 
ATOM   1661 C CA    . ALA A 1 209 ? -14.445 -5.03   -24.827 1    29.72 ?  389 ALA A CA    1 
ATOM   1662 C C     . ALA A 1 209 ? -13.889 -6.417  -25.157 1    29.29 ?  389 ALA A C     1 
ATOM   1663 O O     . ALA A 1 209 ? -14.623 -7.404  -25.104 1    30.75 ?  389 ALA A O     1 
ATOM   1664 C CB    . ALA A 1 209 ? -14.655 -4.228  -26.101 1    29.67 ?  389 ALA A CB    1 
ATOM   1665 N N     . LYS A 1 210 ? -12.586 -6.512  -25.443 1    28.29 ?  390 LYS A N     1 
ATOM   1666 C CA    . LYS A 1 210 ? -11.944 -7.811  -25.669 1    28.31 ?  390 LYS A CA    1 
ATOM   1667 C C     . LYS A 1 210 ? -11.962 -8.64   -24.365 1    27.63 ?  390 LYS A C     1 
ATOM   1668 O O     . LYS A 1 210 ? -12.078 -9.858  -24.408 1    28.84 ?  390 LYS A O     1 
ATOM   1669 C CB    . LYS A 1 210 ? -10.499 -7.625  -26.166 1    30.01 ?  390 LYS A CB    1 
ATOM   1670 C CG    . LYS A 1 210 ? -10.419 -7.093  -27.58  1    35    ?  390 LYS A CG    1 
ATOM   1671 C CD    . LYS A 1 210 ? -10.794 -8.171  -28.583 1    39.48 ?  390 LYS A CD    1 
ATOM   1672 C CE    . LYS A 1 210 ? -10.744 -7.668  -30.01  1    44.55 ?  390 LYS A CE    1 
ATOM   1673 N NZ    . LYS A 1 210 ? -11.211 -8.709  -30.971 1    46.27 1  390 LYS A NZ    1 
ATOM   1674 N N     . GLY A 1 211 ? -11.856 -7.979  -23.211 1    27.21 ?  391 GLY A N     1 
ATOM   1675 C CA    . GLY A 1 211 ? -11.886 -8.64   -21.918 1    26.89 ?  391 GLY A CA    1 
ATOM   1676 C C     . GLY A 1 211 ? -13.202 -9.345  -21.678 1    27.13 ?  391 GLY A C     1 
ATOM   1677 O O     . GLY A 1 211 ? -13.219 -10.481 -21.217 1    27.87 ?  391 GLY A O     1 
ATOM   1678 N N     . ALA A 1 212 ? -14.323 -8.714  -22.05  1    27.76 ?  392 ALA A N     1 
ATOM   1679 C CA    . ALA A 1 212 ? -15.637 -9.347  -21.925 1    28.57 ?  392 ALA A CA    1 
ATOM   1680 C C     . ALA A 1 212 ? -15.717 -10.6   -22.789 1    28.32 ?  392 ALA A C     1 
ATOM   1681 O O     . ALA A 1 212 ? -16.325 -11.581 -22.364 1    28.57 ?  392 ALA A O     1 
ATOM   1682 C CB    . ALA A 1 212 ? -16.746 -8.362  -22.296 1    29.99 ?  392 ALA A CB    1 
ATOM   1683 N N     . GLU A 1 213 ? -15.06  -10.608 -23.959 1    28.77 ?  393 GLU A N     1 
ATOM   1684 C CA    . GLU A 1 213 ? -15.021 -11.821 -24.783 1    29.47 ?  393 GLU A CA    1 
ATOM   1685 C C     . GLU A 1 213 ? -14.177 -12.889 -24.088 1    29.26 ?  393 GLU A C     1 
ATOM   1686 O O     . GLU A 1 213 ? -14.526 -14.073 -24.124 1    30.69 ?  393 GLU A O     1 
ATOM   1687 C CB    . GLU A 1 213 ? -14.432 -11.524 -26.171 1    31.2  ?  393 GLU A CB    1 
ATOM   1688 C CG    . GLU A 1 213 ? -15.157 -10.39  -26.876 1    36.49 ?  393 GLU A CG    1 
ATOM   1689 C CD    . GLU A 1 213 ? -14.455 -9.878  -28.117 1    43.19 ?  393 GLU A CD    1 
ATOM   1690 O OE1   . GLU A 1 213 ? -13.647 -10.633 -28.701 1    43.13 ?  393 GLU A OE1   1 
ATOM   1691 O OE2   . GLU A 1 213 ? -14.721 -8.722  -28.514 1    46.11 -1 393 GLU A OE2   1 
ATOM   1692 N N     . ARG A 1 214 ? -13.079 -12.483 -23.402 1    27.33 ?  394 ARG A N     1 
ATOM   1693 C CA    . ARG A 1 214 ? -12.23  -13.441 -22.701 1    26.01 ?  394 ARG A CA    1 
ATOM   1694 C C     . ARG A 1 214 ? -12.912 -14.062 -21.498 1    26.43 ?  394 ARG A C     1 
ATOM   1695 O O     . ARG A 1 214 ? -12.658 -15.216 -21.197 1    27.13 ?  394 ARG A O     1 
ATOM   1696 C CB    . ARG A 1 214 ? -10.861 -12.828 -22.31  1    25.68 ?  394 ARG A CB    1 
ATOM   1697 C CG    . ARG A 1 214 ? -9.959  -13.763 -21.484 1    27.91 ?  394 ARG A CG    1 
ATOM   1698 C CD    . ARG A 1 214 ? -9.573  -15.027 -22.278 1    30.76 ?  394 ARG A CD    1 
ATOM   1699 N NE    . ARG A 1 214 ? -8.536  -15.825 -21.633 1    31.22 ?  394 ARG A NE    1 
ATOM   1700 C CZ    . ARG A 1 214 ? -8.517  -17.151 -21.585 1    34.44 ?  394 ARG A CZ    1 
ATOM   1701 N NH1   . ARG A 1 214 ? -9.541  -17.858 -22.058 1    33.57 1  394 ARG A NH1   1 
ATOM   1702 N NH2   . ARG A 1 214 ? -7.508  -17.784 -21.003 1    34.43 ?  394 ARG A NH2   1 
ATOM   1703 N N     . VAL A 1 215 ? -13.79  -13.323 -20.798 1    27.4  ?  395 VAL A N     1 
ATOM   1704 C CA    . VAL A 1 215 ? -14.537 -13.878 -19.665 1    28.46 ?  395 VAL A CA    1 
ATOM   1705 C C     . VAL A 1 215 ? -15.379 -15.067 -20.149 1    29.9  ?  395 VAL A C     1 
ATOM   1706 O O     . VAL A 1 215 ? -15.426 -16.096 -19.485 1    30.48 ?  395 VAL A O     1 
ATOM   1707 C CB    . VAL A 1 215 ? -15.438 -12.79  -19.04  1    30.59 ?  395 VAL A CB    1 
ATOM   1708 C CG1   . VAL A 1 215 ? -16.452 -13.403 -18.064 1    31.64 ?  395 VAL A CG1   1 
ATOM   1709 C CG2   . VAL A 1 215 ? -14.593 -11.727 -18.347 1    31.08 ?  395 VAL A CG2   1 
ATOM   1710 N N     . ILE A 1 216 ? -15.974 -14.938 -21.349 1    30.56 ?  396 ILE A N     1 
ATOM   1711 C CA    . ILE A 1 216 ? -16.773 -16.015 -21.938 1    31.62 ?  396 ILE A CA    1 
ATOM   1712 C C     . ILE A 1 216 ? -15.95  -17.283 -22.122 1    31.62 ?  396 ILE A C     1 
ATOM   1713 O O     . ILE A 1 216 ? -16.378 -18.353 -21.703 1    32.65 ?  396 ILE A O     1 
ATOM   1714 C CB    . ILE A 1 216 ? -17.413 -15.53  -23.27  1    32.79 ?  396 ILE A CB    1 
ATOM   1715 C CG1   . ILE A 1 216 ? -18.436 -14.436 -22.989 1    34.2  ?  396 ILE A CG1   1 
ATOM   1716 C CG2   . ILE A 1 216 ? -18.037 -16.709 -24.046 1    33.63 ?  396 ILE A CG2   1 
ATOM   1717 C CD1   . ILE A 1 216 ? -18.798 -13.559 -24.2   1    36.16 ?  396 ILE A CD1   1 
ATOM   1718 N N     . THR A 1 217 ? -14.764 -17.172 -22.73  1    30.71 ?  397 THR A N     1 
ATOM   1719 C CA    . THR A 1 217 ? -13.93  -18.351 -22.97  1    30.59 ?  397 THR A CA    1 
ATOM   1720 C C     . THR A 1 217 ? -13.331 -18.898 -21.673 1    31.52 ?  397 THR A C     1 
ATOM   1721 O O     . THR A 1 217 ? -13.188 -20.111 -21.541 1    32.15 ?  397 THR A O     1 
ATOM   1722 C CB    . THR A 1 217 ? -12.892 -18.071 -24.062 1    31.61 ?  397 THR A CB    1 
ATOM   1723 O OG1   . THR A 1 217 ? -11.937 -17.113 -23.599 1    31.57 ?  397 THR A OG1   1 
ATOM   1724 C CG2   . THR A 1 217 ? -13.528 -17.521 -25.315 1    31.58 ?  397 THR A CG2   1 
ATOM   1725 N N     . LEU A 1 218 ? -12.991 -18.016 -20.698 1    31.24 ?  398 LEU A N     1 
ATOM   1726 C CA    . LEU A 1 218 ? -12.467 -18.489 -19.424 1    33.19 ?  398 LEU A CA    1 
ATOM   1727 C C     . LEU A 1 218 ? -13.518 -19.267 -18.662 1    35.2  ?  398 LEU A C     1 
ATOM   1728 O O     . LEU A 1 218 ? -13.171 -20.229 -17.994 1    35.42 ?  398 LEU A O     1 
ATOM   1729 C CB    . LEU A 1 218 ? -12.031 -17.327 -18.533 1    34.04 ?  398 LEU A CB    1 
ATOM   1730 C CG    . LEU A 1 218 ? -10.627 -16.89  -18.667 1    36.69 ?  398 LEU A CG    1 
ATOM   1731 C CD1   . LEU A 1 218 ? -10.423 -15.58  -17.923 1    37.08 ?  398 LEU A CD1   1 
ATOM   1732 C CD2   . LEU A 1 218 ? -9.678  -17.974 -18.166 1    37.01 ?  398 LEU A CD2   1 
ATOM   1733 N N     . LYS A 1 219 ? -14.784 -18.853 -18.729 1    37.04 ?  399 LYS A N     1 
ATOM   1734 C CA    . LYS A 1 219 ? -15.888 -19.545 -18.054 1    39.29 ?  399 LYS A CA    1 
ATOM   1735 C C     . LYS A 1 219 ? -15.992 -20.987 -18.511 1    42.56 ?  399 LYS A C     1 
ATOM   1736 O O     . LYS A 1 219 ? -16.291 -21.865 -17.701 1    44.08 ?  399 LYS A O     1 
ATOM   1737 C CB    . LYS A 1 219 ? -17.213 -18.844 -18.349 1    40.26 ?  399 LYS A CB    1 
ATOM   1738 C CG    . LYS A 1 219 ? -17.47  -17.627 -17.49  1    43.59 ?  399 LYS A CG    1 
ATOM   1739 C CD    . LYS A 1 219 ? -18.791 -16.979 -17.89  1    47.38 ?  399 LYS A CD    1 
ATOM   1740 C CE    . LYS A 1 219 ? -19.976 -17.858 -17.569 1    49.92 ?  399 LYS A CE    1 
ATOM   1741 N NZ    . LYS A 1 219 ? -21.249 -17.22  -17.989 1    52.33 1  399 LYS A NZ    1 
ATOM   1742 N N     . MET A 1 220 ? -15.727 -21.238 -19.798 1    43.26 ?  400 MET A N     1 
ATOM   1743 C CA    . MET A 1 220 ? -15.727 -22.585 -20.366 1    44.73 ?  400 MET A CA    1 
ATOM   1744 C C     . MET A 1 220 ? -14.474 -23.378 -19.975 1    45.16 ?  400 MET A C     1 
ATOM   1745 O O     . MET A 1 220 ? -14.494 -24.605 -19.988 1    46.27 ?  400 MET A O     1 
ATOM   1746 C CB    . MET A 1 220 ? -15.817 -22.511 -21.898 1    46.43 ?  400 MET A CB    1 
ATOM   1747 C CG    . MET A 1 220 ? -16.947 -21.63  -22.403 1    50.92 ?  400 MET A CG    1 
ATOM   1748 S SD    . MET A 1 220 ? -16.901 -21.338 -24.2   1    61.93 ?  400 MET A SD    1 
ATOM   1749 C CE    . MET A 1 220 ? -18.387 -20.401 -24.396 1    58.63 ?  400 MET A CE    1 
ATOM   1750 N N     . GLU A 1 221 ? -13.383 -22.689 -19.624 1    43.85 ?  401 GLU A N     1 
ATOM   1751 C CA    . GLU A 1 221 ? -12.099 -23.283 -19.313 1    43.24 ?  401 GLU A CA    1 
ATOM   1752 C C     . GLU A 1 221 ? -11.818 -23.585 -17.82  1    43.09 ?  401 GLU A C     1 
ATOM   1753 O O     . GLU A 1 221 ? -11.133 -24.562 -17.526 1    43.81 ?  401 GLU A O     1 
ATOM   1754 C CB    . GLU A 1 221 ? -11.011 -22.362 -19.89  1    43.92 ?  401 GLU A CB    1 
ATOM   1755 C CG    . GLU A 1 221 ? -9.619  -22.851 -19.628 1    44.48 ?  401 GLU A CG    1 
ATOM   1756 C CD    . GLU A 1 221 ? -8.593  -22.429 -20.647 1    45.39 ?  401 GLU A CD    1 
ATOM   1757 O OE1   . GLU A 1 221 ? -7.6    -23.175 -20.777 1    43.82 ?  401 GLU A OE1   1 
ATOM   1758 O OE2   . GLU A 1 221 ? -8.766  -21.375 -21.303 1    44.83 -1 401 GLU A OE2   1 
ATOM   1759 N N     . ILE A 1 222 ? -12.274 -22.736 -16.888 1    42.1  ?  402 ILE A N     1 
ATOM   1760 C CA    . ILE A 1 222 ? -11.988 -22.943 -15.464 1    41.86 ?  402 ILE A CA    1 
ATOM   1761 C C     . ILE A 1 222 ? -12.683 -24.211 -14.914 1    43.93 ?  402 ILE A C     1 
ATOM   1762 O O     . ILE A 1 222 ? -13.76  -24.565 -15.385 1    43.97 ?  402 ILE A O     1 
ATOM   1763 C CB    . ILE A 1 222 ? -12.314 -21.665 -14.664 1    40.58 ?  402 ILE A CB    1 
ATOM   1764 C CG1   . ILE A 1 222 ? -13.803 -21.306 -14.765 1    40.14 ?  402 ILE A CG1   1 
ATOM   1765 C CG2   . ILE A 1 222 ? -11.431 -20.512 -15.145 1    40.23 ?  402 ILE A CG2   1 
ATOM   1766 C CD1   . ILE A 1 222 ? -14.226 -20.266 -13.813 1    40.5  ?  402 ILE A CD1   1 
ATOM   1767 N N     . PRO A 1 223 ? -12.054 -24.944 -13.974 1    45.2  ?  403 PRO A N     1 
ATOM   1768 C CA    . PRO A 1 223 ? -12.678 -26.18  -13.473 1    45.79 ?  403 PRO A CA    1 
ATOM   1769 C C     . PRO A 1 223 ? -13.945 -25.944 -12.661 1    46.26 ?  403 PRO A C     1 
ATOM   1770 O O     . PRO A 1 223 ? -14.865 -26.76  -12.707 1    46.69 ?  403 PRO A O     1 
ATOM   1771 C CB    . PRO A 1 223 ? -11.577 -26.817 -12.623 1    46.68 ?  403 PRO A CB    1 
ATOM   1772 C CG    . PRO A 1 223 ? -10.737 -25.68  -12.184 1    46.89 ?  403 PRO A CG    1 
ATOM   1773 C CD    . PRO A 1 223 ? -10.751 -24.702 -13.332 1    45.07 ?  403 PRO A CD    1 
ATOM   1774 N N     . GLY A 1 224 ? -13.987 -24.84  -11.924 1    45.41 ?  404 GLY A N     1 
ATOM   1775 C CA    . GLY A 1 224 ? -15.148 -24.527 -11.107 1    45.2  ?  404 GLY A CA    1 
ATOM   1776 C C     . GLY A 1 224 ? -15.981 -23.397 -11.66  1    44.56 ?  404 GLY A C     1 
ATOM   1777 O O     . GLY A 1 224 ? -16.218 -23.31  -12.865 1    44.78 ?  404 GLY A O     1 
ATOM   1778 N N     . SER A 1 225 ? -16.432 -22.52  -10.773 1    43.6  ?  405 SER A N     1 
ATOM   1779 C CA    . SER A 1 225 ? -17.233 -21.373 -11.171 1    43.01 ?  405 SER A CA    1 
ATOM   1780 C C     . SER A 1 225 ? -16.454 -20.083 -10.891 1    40.79 ?  405 SER A C     1 
ATOM   1781 O O     . SER A 1 225 ? -15.49  -20.087 -10.112 1    41.34 ?  405 SER A O     1 
ATOM   1782 C CB    . SER A 1 225 ? -18.53  -21.36  -10.367 1    45.84 ?  405 SER A CB    1 
ATOM   1783 O OG    . SER A 1 225 ? -18.223 -21.248 -8.986  1    49.73 ?  405 SER A OG    1 
ATOM   1784 N N     . MET A 1 226 ? -16.89  -18.977 -11.494 1    37.99 ?  406 MET A N     1 
ATOM   1785 C CA    . MET A 1 226 ? -16.286 -17.682 -11.204 1    36.08 ?  406 MET A CA    1 
ATOM   1786 C C     . MET A 1 226 ? -16.717 -17.277 -9.801  1    34.32 ?  406 MET A C     1 
ATOM   1787 O O     . MET A 1 226 ? -17.856 -17.55  -9.402  1    34.81 ?  406 MET A O     1 
ATOM   1788 C CB    . MET A 1 226 ? -16.816 -16.617 -12.178 1    36.34 ?  406 MET A CB    1 
ATOM   1789 C CG    . MET A 1 226 ? -16.271 -16.736 -13.55  1    38.35 ?  406 MET A CG    1 
ATOM   1790 S SD    . MET A 1 226 ? -14.606 -16.06  -13.546 1    39.89 ?  406 MET A SD    1 
ATOM   1791 C CE    . MET A 1 226 ? -14.192 -16.251 -15.26  1    38.59 ?  406 MET A CE    1 
ATOM   1792 N N     . PRO A 1 227 ? -15.835 -16.598 -9.046  1    32.19 ?  407 PRO A N     1 
ATOM   1793 C CA    . PRO A 1 227 ? -16.232 -16.082 -7.722  1    31.06 ?  407 PRO A CA    1 
ATOM   1794 C C     . PRO A 1 227 ? -17.478 -15.18  -7.81   1    29.59 ?  407 PRO A C     1 
ATOM   1795 O O     . PRO A 1 227 ? -17.702 -14.501 -8.823  1    28.96 ?  407 PRO A O     1 
ATOM   1796 C CB    . PRO A 1 227 ? -15.007 -15.272 -7.285  1    32.15 ?  407 PRO A CB    1 
ATOM   1797 C CG    . PRO A 1 227 ? -13.864 -15.852 -8.062  1    32.6  ?  407 PRO A CG    1 
ATOM   1798 C CD    . PRO A 1 227 ? -14.45  -16.213 -9.388  1    31.22 ?  407 PRO A CD    1 
ATOM   1799 N N     . PRO A 1 228 ? -18.333 -15.223 -6.77   1    28.75 ?  408 PRO A N     1 
ATOM   1800 C CA    . PRO A 1 228 ? -19.604 -14.499 -6.827  1    28.38 ?  408 PRO A CA    1 
ATOM   1801 C C     . PRO A 1 228 ? -19.522 -13.027 -7.17   1    27.06 ?  408 PRO A C     1 
ATOM   1802 O O     . PRO A 1 228 ? -20.322 -12.582 -7.986  1    28.2  ?  408 PRO A O     1 
ATOM   1803 C CB    . PRO A 1 228 ? -20.201 -14.72  -5.435  1    29.98 ?  408 PRO A CB    1 
ATOM   1804 C CG    . PRO A 1 228 ? -19.642 -16.023 -5.008  1    30.99 ?  408 PRO A CG    1 
ATOM   1805 C CD    . PRO A 1 228 ? -18.239 -16.057 -5.552  1    28.88 ?  408 PRO A CD    1 
ATOM   1806 N N     . LEU A 1 229 ? -18.561 -12.27  -6.584  1    25.39 ?  409 LEU A N     1 
ATOM   1807 C CA    . LEU A 1 229 ? -18.458 -10.843 -6.878  1    24.48 ?  409 LEU A CA    1 
ATOM   1808 C C     . LEU A 1 229 ? -18.002 -10.602 -8.309  1    23.45 ?  409 LEU A C     1 
ATOM   1809 O O     . LEU A 1 229 ? -18.553 -9.716  -8.959  1    23.76 ?  409 LEU A O     1 
ATOM   1810 C CB    . LEU A 1 229 ? -17.573 -10.115 -5.855  1    24.35 ?  409 LEU A CB    1 
ATOM   1811 C CG    . LEU A 1 229 ? -17.466 -8.602  -6.028  1    24.38 ?  409 LEU A CG    1 
ATOM   1812 C CD1   . LEU A 1 229 ? -18.884 -7.944  -5.942  1    24.57 ?  409 LEU A CD1   1 
ATOM   1813 C CD2   . LEU A 1 229 ? -16.504 -8.011  -5.011  1    23.77 ?  409 LEU A CD2   1 
ATOM   1814 N N     . ILE A 1 230 ? -17.125 -11.455 -8.855  1    22.12 ?  410 ILE A N     1 
ATOM   1815 C CA    . ILE A 1 230 ? -16.749 -11.316 -10.268 1    22.92 ?  410 ILE A CA    1 
ATOM   1816 C C     . ILE A 1 230 ? -17.963 -11.543 -11.179 1    23.59 ?  410 ILE A C     1 
ATOM   1817 O O     . ILE A 1 230 ? -18.209 -10.783 -12.119 1    23.36 ?  410 ILE A O     1 
ATOM   1818 C CB    . ILE A 1 230 ? -15.579 -12.24  -10.627 1    22.63 ?  410 ILE A CB    1 
ATOM   1819 C CG1   . ILE A 1 230 ? -14.329 -11.761 -9.861  1    22.85 ?  410 ILE A CG1   1 
ATOM   1820 C CG2   . ILE A 1 230 ? -15.322 -12.17  -12.142 1    24.28 ?  410 ILE A CG2   1 
ATOM   1821 C CD1   . ILE A 1 230 ? -13.134 -12.691 -9.997  1    23.14 ?  410 ILE A CD1   1 
ATOM   1822 N N     . GLN A 1 231 ? -18.774 -12.561 -10.852 1    25.08 ?  411 GLN A N     1 
ATOM   1823 C CA    . GLN A 1 231 ? -19.979 -12.849 -11.625 1    26.91 ?  411 GLN A CA    1 
ATOM   1824 C C     . GLN A 1 231 ? -20.955 -11.659 -11.599 1    27.3  ?  411 GLN A C     1 
ATOM   1825 O O     . GLN A 1 231 ? -21.497 -11.297 -12.64  1    28.23 ?  411 GLN A O     1 
ATOM   1826 C CB    . GLN A 1 231 ? -20.68  -14.096 -11.058 1    30.21 ?  411 GLN A CB    1 
ATOM   1827 C CG    . GLN A 1 231 ? -19.994 -15.386 -11.398 1    36    ?  411 GLN A CG    1 
ATOM   1828 C CD    . GLN A 1 231 ? -20.907 -16.563 -11.132 1    45.4  ?  411 GLN A CD    1 
ATOM   1829 O OE1   . GLN A 1 231 ? -21.839 -16.83  -11.89  1    48.25 ?  411 GLN A OE1   1 
ATOM   1830 N NE2   . GLN A 1 231 ? -20.659 -17.286 -10.042 1    46.34 ?  411 GLN A NE2   1 
ATOM   1831 N N     . GLU A 1 232 ? -21.15  -11.016 -10.435 1    26.77 ?  412 GLU A N     1 
ATOM   1832 C CA    . GLU A 1 232 ? -22.037 -9.852  -10.344 1    25.95 ?  412 GLU A CA    1 
ATOM   1833 C C     . GLU A 1 232 ? -21.585 -8.731  -11.245 1    26.3  ?  412 GLU A C     1 
ATOM   1834 O O     . GLU A 1 232 ? -22.416 -8.037  -11.835 1    26.75 ?  412 GLU A O     1 
ATOM   1835 C CB    . GLU A 1 232 ? -22.09  -9.298  -8.921  1    27.83 ?  412 GLU A CB    1 
ATOM   1836 C CG    . GLU A 1 232 ? -22.776 -10.247 -7.974  1    31.6  ?  412 GLU A CG    1 
ATOM   1837 C CD    . GLU A 1 232 ? -23.221 -9.617  -6.676  1    35.57 ?  412 GLU A CD    1 
ATOM   1838 O OE1   . GLU A 1 232 ? -23.281 -8.369  -6.593  1    33.42 ?  412 GLU A OE1   1 
ATOM   1839 O OE2   . GLU A 1 232 ? -23.549 -10.382 -5.74   1    38.45 -1 412 GLU A OE2   1 
ATOM   1840 N N     . MET A 1 233 ? -20.257 -8.517  -11.331 1    25.23 ?  413 MET A N     1 
ATOM   1841 C CA    . MET A 1 233 ? -19.749 -7.452  -12.155 1    23.98 ?  413 MET A CA    1 
ATOM   1842 C C     . MET A 1 233 ? -19.783 -7.751  -13.611 1    24.95 ?  413 MET A C     1 
ATOM   1843 O O     . MET A 1 233 ? -20.02  -6.839  -14.406 1    24.94 ?  413 MET A O     1 
ATOM   1844 C CB    . MET A 1 233 ? -18.285 -7.155  -11.78  1    24.17 ?  413 MET A CB    1 
ATOM   1845 C CG    . MET A 1 233 ? -18.062 -6.874  -10.313 1    27.29 ?  413 MET A CG    1 
ATOM   1846 S SD    . MET A 1 233 ? -19.129 -5.607  -9.638  1    40.12 ?  413 MET A SD    1 
ATOM   1847 C CE    . MET A 1 233 ? -18.802 -4.423  -10.651 1    15.21 ?  413 MET A CE    1 
ATOM   1848 N N     . LEU A 1 234 ? -19.467 -9.002  -13.995 1    25.71 ?  414 LEU A N     1 
ATOM   1849 C CA    . LEU A 1 234 ? -19.26  -9.284  -15.413 1    27.09 ?  414 LEU A CA    1 
ATOM   1850 C C     . LEU A 1 234 ? -20.344 -10.054 -16.147 1    30.68 ?  414 LEU A C     1 
ATOM   1851 O O     . LEU A 1 234 ? -20.324 -10.078 -17.388 1    31.73 ?  414 LEU A O     1 
ATOM   1852 C CB    . LEU A 1 234 ? -17.93  -10.028 -15.536 1    27.07 ?  414 LEU A CB    1 
ATOM   1853 C CG    . LEU A 1 234 ? -16.742 -9.226  -14.995 1    28.03 ?  414 LEU A CG    1 
ATOM   1854 C CD1   . LEU A 1 234 ? -15.449 -9.99   -15.181 1    28.82 ?  414 LEU A CD1   1 
ATOM   1855 C CD2   . LEU A 1 234 ? -16.608 -7.9    -15.71  1    28.58 ?  414 LEU A CD2   1 
ATOM   1856 N N     . GLU A 1 235 ? -21.266 -10.677 -15.41  1    31.79 ?  415 GLU A N     1 
ATOM   1857 C CA    . GLU A 1 235 ? -22.313 -11.425 -16.078 1    34.1  ?  415 GLU A CA    1 
ATOM   1858 C C     . GLU A 1 235 ? -23.562 -10.568 -16.14  1    35.66 ?  415 GLU A C     1 
ATOM   1859 O O     . GLU A 1 235 ? -23.454 -9.387  -16.533 1    36.02 ?  415 GLU A O     1 
ATOM   1860 C CB    . GLU A 1 235 ? -22.475 -12.823 -15.457 1    38.96 ?  415 GLU A CB    1 
ATOM   1861 C CG    . GLU A 1 235 ? -21.525 -13.839 -16.117 1    45.7  ?  415 GLU A CG    1 
ATOM   1862 C CD    . GLU A 1 235 ? -20.423 -14.517 -15.307 1    52.83 ?  415 GLU A CD    1 
ATOM   1863 O OE1   . GLU A 1 235 ? -20.686 -15.62  -14.774 1    55.62 ?  415 GLU A OE1   1 
ATOM   1864 O OE2   . GLU A 1 235 ? -19.285 -13.987 -15.252 1    51.69 -1 415 GLU A OE2   1 
HETATM 1865 C C     . ACE B 2 1   ? -29.621 -9.65   -10.372 1    44.52 ?  1   ACE B C     1 
HETATM 1866 O O     . ACE B 2 1   ? -29.933 -8.484  -10.605 1    45.12 ?  1   ACE B O     1 
HETATM 1867 C CH3   . ACE B 2 1   ? -29.207 -10.604 -11.452 1    44.69 ?  1   ACE B CH3   1 
ATOM   1868 N N     . ALA B 2 2   ? -29.639 -10.164 -9.107  1    43.71 ?  2   ALA B N     1 
ATOM   1869 C CA    . ALA B 2 2   ? -29.976 -9.433  -7.949  1    42.29 ?  2   ALA B CA    1 
ATOM   1870 C C     . ALA B 2 2   ? -28.896 -8.49   -7.515  1    40.48 ?  2   ALA B C     1 
ATOM   1871 O O     . ALA B 2 2   ? -29.169 -7.492  -6.847  1    40.47 ?  2   ALA B O     1 
ATOM   1872 C CB    . ALA B 2 2   ? -30.328 -10.371 -6.779  1    42.9  ?  2   ALA B CB    1 
ATOM   1873 N N     . HIS B 2 3   ? -27.629 -8.819  -7.851  1    38.42 ?  3   HIS B N     1 
ATOM   1874 C CA    . HIS B 2 3   ? -26.474 -8.027  -7.446  1    36.47 ?  3   HIS B CA    1 
ATOM   1875 C C     . HIS B 2 3   ? -26.412 -7.883  -5.927  1    34.18 ?  3   HIS B C     1 
ATOM   1876 O O     . HIS B 2 3   ? -26.216 -6.794  -5.405  1    33.29 ?  3   HIS B O     1 
ATOM   1877 C CB    . HIS B 2 3   ? -26.41  -6.678  -8.178  1    36.76 ?  3   HIS B CB    1 
ATOM   1878 C CG    . HIS B 2 3   ? -26.413 -6.84   -9.664  1    37.23 ?  3   HIS B CG    1 
ATOM   1879 N ND1   . HIS B 2 3   ? -27.413 -6.284  -10.448 1    37.64 ?  3   HIS B ND1   1 
ATOM   1880 C CD2   . HIS B 2 3   ? -25.577 -7.566  -10.456 1    37.57 ?  3   HIS B CD2   1 
ATOM   1881 C CE1   . HIS B 2 3   ? -27.162 -6.707  -11.678 1    37.58 ?  3   HIS B CE1   1 
ATOM   1882 N NE2   . HIS B 2 3   ? -26.068 -7.479  -11.728 1    37.73 ?  3   HIS B NE2   1 
HETATM 1883 N N     . NLE B 2 4   ? -26.586 -9.011  -5.23   1    33.78 ?  4   NLE B N     1 
HETATM 1884 C CA    . NLE B 2 4   ? -26.652 -9.044  -3.781  1    33.4  ?  4   NLE B CA    1 
HETATM 1885 C C     . NLE B 2 4   ? -25.435 -8.451  -3.065  1    31.19 ?  4   NLE B C     1 
HETATM 1886 O O     . NLE B 2 4   ? -25.58  -7.587  -2.204  1    30.47 ?  4   NLE B O     1 
HETATM 1887 C CB    . NLE B 2 4   ? -26.908 -10.481 -3.327  1    35.67 ?  4   NLE B CB    1 
HETATM 1888 C CG    . NLE B 2 4   ? -27.171 -10.578 -1.849  1    37.54 ?  4   NLE B CG    1 
HETATM 1889 C CD    . NLE B 2 4   ? -27.16  -12.014 -1.352  1    39.52 ?  4   NLE B CD    1 
HETATM 1890 C CE    . NLE B 2 4   ? -27.378 -12.107 0.145   1    40.95 ?  4   NLE B CE    1 
ATOM   1891 N N     . ILE B 2 5   ? -24.23  -8.905  -3.435  1    30.43 ?  5   ILE B N     1 
ATOM   1892 C CA    . ILE B 2 5   ? -23.011 -8.382  -2.829  1    29.6  ?  5   ILE B CA    1 
ATOM   1893 C C     . ILE B 2 5   ? -22.796 -6.901  -3.141  1    29.04 ?  5   ILE B C     1 
ATOM   1894 O O     . ILE B 2 5   ? -22.447 -6.12   -2.255  1    29.39 ?  5   ILE B O     1 
ATOM   1895 C CB    . ILE B 2 5   ? -21.778 -9.215  -3.233  1    29.84 ?  5   ILE B CB    1 
ATOM   1896 C CG1   . ILE B 2 5   ? -21.958 -10.685 -2.857  1    30.48 ?  5   ILE B CG1   1 
ATOM   1897 C CG2   . ILE B 2 5   ? -20.506 -8.631  -2.629  1    30    ?  5   ILE B CG2   1 
ATOM   1898 C CD1   . ILE B 2 5   ? -20.985 -11.622 -3.536  1    30.71 ?  5   ILE B CD1   1 
ATOM   1899 N N     . LEU B 2 6   ? -23.014 -6.515  -4.407  1    29.26 ?  6   LEU B N     1 
ATOM   1900 C CA    . LEU B 2 6   ? -22.889 -5.114  -4.781  1    30.48 ?  6   LEU B CA    1 
ATOM   1901 C C     . LEU B 2 6   ? -23.833 -4.206  -3.996  1    31.35 ?  6   LEU B C     1 
ATOM   1902 O O     . LEU B 2 6   ? -23.45  -3.115  -3.596  1    31.56 ?  6   LEU B O     1 
ATOM   1903 C CB    . LEU B 2 6   ? -23.149 -4.887  -6.271  1    30.67 ?  6   LEU B CB    1 
ATOM   1904 C CG    . LEU B 2 6   ? -21.966 -5.142  -7.188  1    31.37 ?  6   LEU B CG    1 
ATOM   1905 C CD1   . LEU B 2 6   ? -22.405 -4.798  -8.613  1    31.4  ?  6   LEU B CD1   1 
ATOM   1906 C CD2   . LEU B 2 6   ? -20.747 -4.309  -6.767  1    31.26 ?  6   LEU B CD2   1 
ATOM   1907 N N     . HIS B 2 7   ? -25.068 -4.672  -3.781  1    32.32 ?  7   HIS B N     1 
ATOM   1908 C CA    . HIS B 2 7   ? -26.041 -3.904  -3.026  1    33.89 ?  7   HIS B CA    1 
ATOM   1909 C C     . HIS B 2 7   ? -25.583 -3.647  -1.589  1    35.15 ?  7   HIS B C     1 
ATOM   1910 O O     . HIS B 2 7   ? -25.739 -2.541  -1.081  1    34.94 ?  7   HIS B O     1 
ATOM   1911 C CB    . HIS B 2 7   ? -27.427 -4.553  -3.082  1    34.93 ?  7   HIS B CB    1 
ATOM   1912 C CG    . HIS B 2 7   ? -28.246 -4.16   -4.272  1    35.84 ?  7   HIS B CG    1 
ATOM   1913 N ND1   . HIS B 2 7   ? -28.341 -4.984  -5.38   1    37.03 ?  7   HIS B ND1   1 
ATOM   1914 C CD2   . HIS B 2 7   ? -29.004 -3.05   -4.477  1    36.4  ?  7   HIS B CD2   1 
ATOM   1915 C CE1   . HIS B 2 7   ? -29.153 -4.348  -6.218  1    36.99 ?  7   HIS B CE1   1 
ATOM   1916 N NE2   . HIS B 2 7   ? -29.574 -3.185  -5.713  1    36.73 ?  7   HIS B NE2   1 
HETATM 1917 N N     . HRG B 2 8   ? -25.003 -4.703  -0.959  1    36.49 ?  8   HRG B N     1 
HETATM 1918 C CA    . HRG B 2 8   ? -24.424 -4.641  0.276   1    38.37 ?  8   HRG B CA    1 
HETATM 1919 C CB    . HRG B 2 8   ? -23.927 -5.964  0.764   1    39.31 ?  8   HRG B CB    1 
HETATM 1920 C CG    . HRG B 2 8   ? -24.165 -8.02   2.193   1    41.32 ?  8   HRG B CG    1 
HETATM 1921 C "CG'" . HRG B 2 8   ? -24.838 -6.758  1.685   1    40.62 ?  8   HRG B "CG'" 1 
HETATM 1922 C CD    . HRG B 2 8   ? -25.123 -9.182  2.35    1    42.07 ?  8   HRG B CD    1 
HETATM 1923 N NE    . HRG B 2 8   ? -24.55  -10.403 1.804   1    42.4  ?  8   HRG B NE    1 
HETATM 1924 C CZ    . HRG B 2 8   ? -25.226 -11.308 1.061   1    42.55 ?  8   HRG B CZ    1 
HETATM 1925 N NH1   . HRG B 2 8   ? -26.561 -11.151 0.881   1    41.94 ?  8   HRG B NH1   1 
HETATM 1926 N NH2   . HRG B 2 8   ? -24.458 -12.217 0.538   1    42.8  ?  8   HRG B NH2   1 
HETATM 1927 C C     . HRG B 2 8   ? -23.274 -3.649  0.376   1    38.85 ?  8   HRG B C     1 
HETATM 1928 O O     . HRG B 2 8   ? -23.195 -2.89   1.349   1    39.56 ?  8   HRG B O     1 
ATOM   1929 N N     . LEU B 2 9   ? -22.363 -3.663  -0.605  1    37.87 ?  9   LEU B N     1 
ATOM   1930 C CA    . LEU B 2 9   ? -21.249 -2.728  -0.633  1    37.41 ?  9   LEU B CA    1 
ATOM   1931 C C     . LEU B 2 9   ? -21.701 -1.284  -0.846  1    37.76 ?  9   LEU B C     1 
ATOM   1932 O O     . LEU B 2 9   ? -21.056 -0.365  -0.354  1    38.54 ?  9   LEU B O     1 
ATOM   1933 C CB    . LEU B 2 9   ? -20.237 -3.107  -1.72   1    36.82 ?  9   LEU B CB    1 
ATOM   1934 C CG    . LEU B 2 9   ? -19.547 -4.456  -1.526  1    36.57 ?  9   LEU B CG    1 
ATOM   1935 C CD1   . LEU B 2 9   ? -18.767 -4.864  -2.764  1    36.45 ?  9   LEU B CD1   1 
ATOM   1936 C CD2   . LEU B 2 9   ? -18.647 -4.455  -0.288  1    36.54 ?  9   LEU B CD2   1 
ATOM   1937 N N     . LEU B 2 10  ? -22.798 -1.089  -1.591  1    38.33 ?  10  LEU B N     1 
ATOM   1938 C CA    . LEU B 2 10  ? -23.228 0.254   -1.949  1    38.83 ?  10  LEU B CA    1 
ATOM   1939 C C     . LEU B 2 10  ? -24.141 0.9     -0.912  1    42.3  ?  10  LEU B C     1 
ATOM   1940 O O     . LEU B 2 10  ? -24.117 2.118   -0.735  1    43.12 ?  10  LEU B O     1 
ATOM   1941 C CB    . LEU B 2 10  ? -23.909 0.267   -3.316  1    36.48 ?  10  LEU B CB    1 
ATOM   1942 C CG    . LEU B 2 10  ? -22.953 0.036   -4.475  1    34.33 ?  10  LEU B CG    1 
ATOM   1943 C CD1   . LEU B 2 10  ? -23.734 -0.221  -5.747  1    33.38 ?  10  LEU B CD1   1 
ATOM   1944 C CD2   . LEU B 2 10  ? -22.006 1.232   -4.623  1    33.82 ?  10  LEU B CD2   1 
ATOM   1945 N N     . ALA B 2 11  ? -24.967 0.077   -0.257  1    44.41 ?  11  ALA B N     1 
ATOM   1946 C CA    . ALA B 2 11  ? -25.862 0.549   0.784   1    46.64 ?  11  ALA B CA    1 
ATOM   1947 C C     . ALA B 2 11  ? -25.22  0.25    2.127   1    48.25 ?  11  ALA B C     1 
ATOM   1948 O O     . ALA B 2 11  ? -25.52  -0.718  2.796   1    49.02 ?  11  ALA B O     1 
ATOM   1949 C CB    . ALA B 2 11  ? -27.232 -0.129  0.686   1    46.9  ?  11  ALA B CB    1 
ATOM   1950 O OXT   . ALA B 2 11  ? -24.282 1.109   2.437   1    48.89 ?  11  ALA B OXT   1 
HETATM 1951 C CAA   . EQN C 3 .   ? -12.007 -10.262 -13.543 1    21.06 ?  501 EQN A CAA   1 
HETATM 1952 C CAB   . EQN C 3 .   ? -10.448 -12.186 -13.584 1    20.24 ?  501 EQN A CAB   1 
HETATM 1953 C CAC   . EQN C 3 .   ? -10.914 -10.488 -18.402 1    21.82 ?  501 EQN A CAC   1 
HETATM 1954 C CAD   . EQN C 3 .   ? -8.961  -11.925 -18.061 1    21.35 ?  501 EQN A CAD   1 
HETATM 1955 O OAE   . EQN C 3 .   ? -4.238  -6.262  -7.124  1    20.32 ?  501 EQN A OAE   1 
HETATM 1956 O OAF   . EQN C 3 .   ? -6.876  -6.678  -14.141 1    18.72 ?  501 EQN A OAF   1 
HETATM 1957 O OAG   . EQN C 3 .   ? -4.134  -4.342  -8.253  1    20.32 ?  501 EQN A OAG   1 
HETATM 1958 C CAH   . EQN C 3 .   ? -6.558  -7.949  -10.157 1    16.77 ?  501 EQN A CAH   1 
HETATM 1959 C CAI   . EQN C 3 .   ? -6.294  -6.01   -11.433 1    16.06 ?  501 EQN A CAI   1 
HETATM 1960 C CAJ   . EQN C 3 .   ? -5.901  -7.376  -9.084  1    17.7  ?  501 EQN A CAJ   1 
HETATM 1961 C CAK   . EQN C 3 .   ? -5.578  -5.416  -10.398 1    16.58 ?  501 EQN A CAK   1 
HETATM 1962 C CAL   . EQN C 3 .   ? -8.036  -8.377  -15.902 1    18.87 ?  501 EQN A CAL   1 
HETATM 1963 C CAM   . EQN C 3 .   ? -8.681  -9.251  -16.811 1    18.16 ?  501 EQN A CAM   1 
HETATM 1964 C CAN   . EQN C 3 .   ? -9.27   -9.355  -14.128 1    17.76 ?  501 EQN A CAN   1 
HETATM 1965 C CAO   . EQN C 3 .   ? -11.872 -11.708 -15.542 1    21.58 ?  501 EQN A CAO   1 
HETATM 1966 C CAP   . EQN C 3 .   ? -10.947 -12.255 -16.628 1    21.47 ?  501 EQN A CAP   1 
HETATM 1967 N NAQ   . EQN C 3 .   ? -7.532  -7.98   -12.331 1    17.06 ?  501 EQN A NAQ   1 
HETATM 1968 C CAR   . EQN C 3 .   ? -4.535  -5.524  -8.095  1    19.37 ?  501 EQN A CAR   1 
HETATM 1969 C CAS   . EQN C 3 .   ? -7.535  -7.595  -13.646 1    17.1  ?  501 EQN A CAS   1 
HETATM 1970 C CAT   . EQN C 3 .   ? -6.792  -7.278  -11.353 1    16.45 ?  501 EQN A CAT   1 
HETATM 1971 C CAU   . EQN C 3 .   ? -5.352  -6.118  -9.21   1    17.24 ?  501 EQN A CAU   1 
HETATM 1972 C CAV   . EQN C 3 .   ? -8.337  -8.451  -14.558 1    17.59 ?  501 EQN A CAV   1 
HETATM 1973 C CAW   . EQN C 3 .   ? -9.59   -10.175 -16.357 1    18.97 ?  501 EQN A CAW   1 
HETATM 1974 C CAX   . EQN C 3 .   ? -9.922  -10.208 -15.011 1    18.82 ?  501 EQN A CAX   1 
HETATM 1975 C CAY   . EQN C 3 .   ? -11.04  -11.078 -14.451 1    20.49 ?  501 EQN A CAY   1 
HETATM 1976 C CAZ   . EQN C 3 .   ? -10.123 -11.213 -17.332 1    20.37 ?  501 EQN A CAZ   1 
HETATM 1977 O O     . HOH D 4 .   ? 6.999   11.93   -19.378 1    47.76 ?  601 HOH A O     1 
HETATM 1978 O O     . HOH D 4 .   ? 10.263  -11.134 -17.862 1    31.15 ?  602 HOH A O     1 
HETATM 1979 O O     . HOH D 4 .   ? -15.622 -24.197 -16.707 1    52.54 ?  603 HOH A O     1 
HETATM 1980 O O     . HOH D 4 .   ? -26.587 13.906  -22.054 1    44.39 ?  604 HOH A O     1 
HETATM 1981 O O     . HOH D 4 .   ? -30.658 10.263  -6.388  1    40.49 ?  605 HOH A O     1 
HETATM 1982 O O     . HOH D 4 .   ? -20.183 9.585   -3.805  1    37.16 ?  606 HOH A O     1 
HETATM 1983 O O     . HOH D 4 .   ? -32.7   13.641  -21.719 1    42.92 ?  607 HOH A O     1 
HETATM 1984 O O     . HOH D 4 .   ? -15.683 4.294   0.263   1    43.64 ?  608 HOH A O     1 
HETATM 1985 O O     . HOH D 4 .   ? -6.718  -20.567 -23.155 1    30.11 ?  609 HOH A O     1 
HETATM 1986 O O     . HOH D 4 .   ? 8.797   -22.904 -13.372 1    37.08 ?  610 HOH A O     1 
HETATM 1987 O O     . HOH D 4 .   ? -6.089  -7.176  -5.205  1    22.81 ?  611 HOH A O     1 
HETATM 1988 O O     . HOH D 4 .   ? -5.157  -7.481  -2.42   1    38.53 ?  612 HOH A O     1 
HETATM 1989 O O     . HOH D 4 .   ? -7.446  -25.54  -19.857 1    45.38 ?  613 HOH A O     1 
HETATM 1990 O O     . HOH D 4 .   ? -28.896 8.113   -11.574 1    30.56 ?  614 HOH A O     1 
HETATM 1991 O O     . HOH D 4 .   ? -4.919  -17.924 -19.936 1    32.63 ?  615 HOH A O     1 
HETATM 1992 O O     . HOH D 4 .   ? -3.327  -5.789  -0.357  1    36.39 ?  616 HOH A O     1 
HETATM 1993 O O     . HOH D 4 .   ? 8.574   -10.953 -21.332 1    29.82 ?  617 HOH A O     1 
HETATM 1994 O O     . HOH D 4 .   ? -21.616 19.745  -14.851 1    53.41 ?  618 HOH A O     1 
HETATM 1995 O O     . HOH D 4 .   ? -23.941 -12.969 -5.722  1    39.23 ?  619 HOH A O     1 
HETATM 1996 O O     . HOH D 4 .   ? -20.163 10.876  -20.413 1    34.22 ?  620 HOH A O     1 
HETATM 1997 O O     . HOH D 4 .   ? 8.761   -16.437 -19.23  1    39.35 ?  621 HOH A O     1 
HETATM 1998 O O     . HOH D 4 .   ? -29.109 1.488   -14.837 1    30.95 ?  622 HOH A O     1 
HETATM 1999 O O     . HOH D 4 .   ? 5.3     -3.312  2.076   1    26.31 ?  623 HOH A O     1 
HETATM 2000 O O     . HOH D 4 .   ? -3.114  -9.262  -27.152 1    37.47 ?  624 HOH A O     1 
HETATM 2001 O O     . HOH D 4 .   ? -18.592 -11.273 -21.051 1    42.5  ?  625 HOH A O     1 
HETATM 2002 O O     . HOH D 4 .   ? -18.375 -9.461  -19.059 1    44.25 ?  626 HOH A O     1 
HETATM 2003 O O     . HOH D 4 .   ? -14.868 -2.136  -18.359 1    34.36 ?  627 HOH A O     1 
HETATM 2004 O O     . HOH D 4 .   ? 1.992   -25.581 -23.273 1    51.33 ?  628 HOH A O     1 
HETATM 2005 O O     . HOH D 4 .   ? -13.937 -6.295  -29.246 1    54.55 ?  629 HOH A O     1 
HETATM 2006 O O     . HOH D 4 .   ? 6.137   -14.691 -10.439 1    35.81 ?  630 HOH A O     1 
HETATM 2007 O O     . HOH D 4 .   ? 11.685  -17.83  -14.764 1    42.04 ?  631 HOH A O     1 
HETATM 2008 O O     . HOH D 4 .   ? -1.157  5.09    -4.269  1    31.35 ?  632 HOH A O     1 
HETATM 2009 O O     . HOH D 4 .   ? -20.2   18.517  -21.836 1    47.22 ?  633 HOH A O     1 
HETATM 2010 O O     . HOH D 4 .   ? 4.137   -8.815  -0.059  1    30.4  ?  634 HOH A O     1 
HETATM 2011 O O     . HOH D 4 .   ? 2.471   0.408   -26.302 1    45.82 ?  635 HOH A O     1 
HETATM 2012 O O     . HOH D 4 .   ? 3.861   -23.908 -24.528 1    46.83 ?  636 HOH A O     1 
HETATM 2013 O O     . HOH D 4 .   ? 2.305   6.871   -16.071 1    32.77 ?  637 HOH A O     1 
HETATM 2014 O O     . HOH D 4 .   ? 10.62   -22.577 -21.305 1    53.08 ?  638 HOH A O     1 
HETATM 2015 O O     . HOH D 4 .   ? -3.501  -25.53  -19.658 1    48.41 ?  639 HOH A O     1 
HETATM 2016 O O     . HOH D 4 .   ? -4.599  -22.99  -6.093  1    41.76 ?  640 HOH A O     1 
HETATM 2017 O O     . HOH D 4 .   ? -12.283 2.289   -27.817 1    48.56 ?  641 HOH A O     1 
HETATM 2018 O O     . HOH D 4 .   ? -5.97   -25.619 -17.223 1    50.13 ?  642 HOH A O     1 
HETATM 2019 O O     . HOH D 4 .   ? 2.606   1.49    -16.711 1    25.85 ?  643 HOH A O     1 
HETATM 2020 O O     . HOH D 4 .   ? 12.149  -20.001 -21.368 1    36.99 ?  644 HOH A O     1 
HETATM 2021 O O     . HOH D 4 .   ? -26.565 5.864   -21.747 1    29.59 ?  645 HOH A O     1 
HETATM 2022 O O     . HOH D 4 .   ? 2.499   -5.91   -26.197 1    29.58 ?  646 HOH A O     1 
HETATM 2023 O O     . HOH D 4 .   ? 5.904   -5.142  -11.528 1    22.82 ?  647 HOH A O     1 
HETATM 2024 O O     . HOH D 4 .   ? -24.633 4.026   -2.698  1    33.91 ?  648 HOH A O     1 
HETATM 2025 O O     . HOH D 4 .   ? -23.96  -0.795  -19.543 1    33.02 ?  649 HOH A O     1 
HETATM 2026 O O     . HOH D 4 .   ? -17.621 -21.349 -15.388 1    43.77 ?  650 HOH A O     1 
HETATM 2027 O O     . HOH D 4 .   ? -17.308 -7.297  -25.578 1    53.46 ?  651 HOH A O     1 
HETATM 2028 O O     . HOH D 4 .   ? -18.084 -2.108  -20.56  1    36.14 ?  652 HOH A O     1 
HETATM 2029 O O     . HOH D 4 .   ? -1.483  5.006   -14.098 1    29.38 ?  653 HOH A O     1 
HETATM 2030 O O     . HOH D 4 .   ? -19.029 3.102   -16.264 1    22.14 ?  654 HOH A O     1 
HETATM 2031 O O     . HOH D 4 .   ? -29.637 5.212   -21.236 1    40.85 ?  655 HOH A O     1 
HETATM 2032 O O     . HOH D 4 .   ? 9.732   -7.023  -11.39  1    31.39 ?  656 HOH A O     1 
HETATM 2033 O O     . HOH D 4 .   ? -25.393 10.209  -22.441 1    33.07 ?  657 HOH A O     1 
HETATM 2034 O O     . HOH D 4 .   ? -4.33   17.286  -4.7    1    47.98 ?  658 HOH A O     1 
HETATM 2035 O O     . HOH D 4 .   ? -0.312  6.71    -10.558 1    47.53 ?  659 HOH A O     1 
HETATM 2036 O O     . HOH D 4 .   ? -0      -12.473 0       0.50 49.78 ?  660 HOH A O     1 
HETATM 2037 O O     . HOH D 4 .   ? -12.714 -20.103 -10.188 1    41.12 ?  661 HOH A O     1 
HETATM 2038 O O     . HOH D 4 .   ? 8.053   0.739   -12.901 1    38.8  ?  662 HOH A O     1 
HETATM 2039 O O     . HOH D 4 .   ? -10.098 -16.529 -25.605 1    43.89 ?  663 HOH A O     1 
HETATM 2040 O O     . HOH D 4 .   ? -20.241 -6.132  -17.089 1    34.68 ?  664 HOH A O     1 
HETATM 2041 O O     . HOH D 4 .   ? -3.255  -20.618 -5.987  1    39.62 ?  665 HOH A O     1 
HETATM 2042 O O     . HOH D 4 .   ? 2.704   14.323  -7.933  1    52.56 ?  666 HOH A O     1 
HETATM 2043 O O     . HOH D 4 .   ? -11.641 11.24   -0.856  1    34.13 ?  667 HOH A O     1 
HETATM 2044 O O     . HOH D 4 .   ? -19.633 14.708  -19.667 1    31.33 ?  668 HOH A O     1 
HETATM 2045 O O     . HOH D 4 .   ? -0.838  11.087  -3.996  1    53.11 ?  669 HOH A O     1 
HETATM 2046 O O     . HOH D 4 .   ? -11.275 17.647  -1.078  1    34.77 ?  670 HOH A O     1 
HETATM 2047 O O     . HOH D 4 .   ? -23.448 -2.096  -17.107 1    23.6  ?  671 HOH A O     1 
HETATM 2048 O O     . HOH D 4 .   ? 9.608   -2.506  -9.721  1    37.65 ?  672 HOH A O     1 
HETATM 2049 O O     . HOH D 4 .   ? 2.726   -13.098 -28.587 1    36.84 ?  673 HOH A O     1 
HETATM 2050 O O     . HOH D 4 .   ? -17.971 15.117  -10.199 1    34.79 ?  674 HOH A O     1 
HETATM 2051 O O     . HOH D 4 .   ? -13.892 20.817  -11.679 1    42.44 ?  675 HOH A O     1 
HETATM 2052 O O     . HOH D 4 .   ? 0.863   -24.482 -11.224 1    50.31 ?  676 HOH A O     1 
HETATM 2053 O O     . HOH D 4 .   ? -8.422  3.785   -9.49   1    31.93 ?  677 HOH A O     1 
HETATM 2054 O O     . HOH D 4 .   ? -28.488 -1.89   -12.386 1    35.47 ?  678 HOH A O     1 
HETATM 2055 O O     . HOH D 4 .   ? 4.078   9.672   -28.189 1    64.64 ?  679 HOH A O     1 
HETATM 2056 O O     . HOH D 4 .   ? 8.048   -10.984 -18.748 1    35.92 ?  680 HOH A O     1 
HETATM 2057 O O     . HOH D 4 .   ? -25.387 15.433  -12.135 1    35.47 ?  681 HOH A O     1 
HETATM 2058 O O     . HOH D 4 .   ? -35.261 8.295   -16.245 1    39.84 ?  682 HOH A O     1 
HETATM 2059 O O     . HOH D 4 .   ? -20.177 -12.237 -19.254 1    43.8  ?  683 HOH A O     1 
HETATM 2060 O O     . HOH D 4 .   ? -15.694 -0.19   -20.861 1    49.51 ?  684 HOH A O     1 
HETATM 2061 O O     . HOH D 4 .   ? -29.456 2.467   -23.011 1    43    ?  685 HOH A O     1 
HETATM 2062 O O     . HOH D 4 .   ? 1.672   9.828   -6.966  1    49.04 ?  686 HOH A O     1 
HETATM 2063 O O     . HOH D 4 .   ? -16.299 -4.231  -17.187 1    30.51 ?  687 HOH A O     1 
HETATM 2064 O O     . HOH D 4 .   ? -5.937  -1.991  -4.343  1    27.53 ?  688 HOH A O     1 
HETATM 2065 O O     . HOH D 4 .   ? -4.195  -11.591 -1.014  1    40.12 ?  689 HOH A O     1 
HETATM 2066 O O     . HOH D 4 .   ? 2.424   2.14    -8.677  1    31.75 ?  690 HOH A O     1 
HETATM 2067 O O     . HOH D 4 .   ? 5.692   -13.246 -25.546 1    34.3  ?  691 HOH A O     1 
HETATM 2068 O O     . HOH D 4 .   ? -16.379 -2.017  -1.179  1    36.78 ?  692 HOH A O     1 
HETATM 2069 O O     . HOH D 4 .   ? -22.89  -13.905 -7.992  1    37.46 ?  693 HOH A O     1 
HETATM 2070 O O     . HOH D 4 .   ? -16.092 -5.066  -20.571 1    49.87 ?  694 HOH A O     1 
HETATM 2071 O O     . HOH D 4 .   ? -1.075  12.721  -6.842  1    40.98 ?  695 HOH A O     1 
HETATM 2072 O O     . HOH D 4 .   ? -1.431  5.774   -8.711  1    33.18 ?  696 HOH A O     1 
HETATM 2073 O O     . HOH D 4 .   ? -29.929 17.059  -21.624 1    42.26 ?  697 HOH A O     1 
HETATM 2074 O O     . HOH D 4 .   ? 5.965   -22.714 -23.699 1    45.63 ?  698 HOH A O     1 
HETATM 2075 O O     . HOH D 4 .   ? -26.079 14.318  -9.535  1    47.46 ?  699 HOH A O     1 
HETATM 2076 O O     . HOH D 4 .   ? -15.768 5.172   -19.962 1    39.71 ?  700 HOH A O     1 
HETATM 2077 O O     . HOH D 4 .   ? -12.186 -4.106  -28.892 1    35.99 ?  701 HOH A O     1 
HETATM 2078 O O     . HOH D 4 .   ? -34.166 6.642   -19.097 1    50.49 ?  702 HOH A O     1 
HETATM 2079 O O     . HOH D 4 .   ? 5.1     -24.876 -13.053 1    39.99 ?  703 HOH A O     1 
HETATM 2080 O O     . HOH D 4 .   ? -1.743  -25.675 -22.246 1    38.29 ?  704 HOH A O     1 
HETATM 2081 O O     . HOH D 4 .   ? 4.36    -4.488  -24.609 1    32.43 ?  705 HOH A O     1 
HETATM 2082 O O     . HOH D 4 .   ? -27.85  10.975  -22.734 1    35.69 ?  706 HOH A O     1 
HETATM 2083 O O     . HOH D 4 .   ? 7.528   2.072   -21.962 1    41.95 ?  707 HOH A O     1 
HETATM 2084 O O     . HOH D 4 .   ? 12.255  -1.488  -15.139 1    34.52 ?  708 HOH A O     1 
HETATM 2085 O O     . HOH D 4 .   ? -1.543  -11.816 -26.397 1    35.28 ?  709 HOH A O     1 
HETATM 2086 O O     . HOH D 4 .   ? 8.521   -2.492  -4.503  1    29.56 ?  710 HOH A O     1 
HETATM 2087 O O     . HOH D 4 .   ? -5.777  -2.276  -6.913  1    30.04 ?  711 HOH A O     1 
HETATM 2088 O O     . HOH D 4 .   ? -9.923  -5.58   -0.916  1    29.04 ?  712 HOH A O     1 
HETATM 2089 O O     . HOH D 4 .   ? 7.047   -19.130 -22.435 1    44.66 ?  713 HOH A O     1 
HETATM 2090 O O     . HOH D 4 .   ? -2.947  -26.084 -14.166 1    40.79 ?  714 HOH A O     1 
HETATM 2091 O O     . HOH D 4 .   ? -32.255 2.213   -8.163  1    37.53 ?  715 HOH A O     1 
HETATM 2092 O O     . HOH D 4 .   ? -3.322  -1.755  -26.176 1    42.57 ?  716 HOH A O     1 
HETATM 2093 O O     . HOH D 4 .   ? 1.062   18.249  -7.667  1    62.86 ?  717 HOH A O     1 
HETATM 2094 O O     . HOH D 4 .   ? 9.573   -16.613 -11.73  1    41.07 ?  718 HOH A O     1 
HETATM 2095 O O     . HOH D 4 .   ? 7.548   -13.907 -19.545 1    29.27 ?  719 HOH A O     1 
HETATM 2096 O O     . HOH D 4 .   ? 5.173   6.171   -14.887 1    48.03 ?  720 HOH A O     1 
HETATM 2097 O O     . HOH D 4 .   ? -31.894 4.473   -5.821  1    47.35 ?  721 HOH A O     1 
HETATM 2098 O O     . HOH D 4 .   ? -15.253 7.698   -20.200 1    47.31 ?  722 HOH A O     1 
HETATM 2099 O O     . HOH D 4 .   ? 5.486   3.306   -7.164  1    30.88 ?  723 HOH A O     1 
HETATM 2100 O O     . HOH D 4 .   ? 9.676   -4.857  -3.254  1    32.83 ?  724 HOH A O     1 
HETATM 2101 O O     . HOH D 4 .   ? -19.811 -0.307  -21.912 1    45.79 ?  725 HOH A O     1 
HETATM 2102 O O     . HOH D 4 .   ? 3.302   15.87   -23.954 1    51.43 ?  726 HOH A O     1 
HETATM 2103 O O     . HOH D 4 .   ? -5.44   -18.641 -23.239 1    41.88 ?  727 HOH A O     1 
HETATM 2104 O O     . HOH D 4 .   ? 0.554   5.827   -2.328  1    31    ?  728 HOH A O     1 
HETATM 2105 O O     . HOH D 4 .   ? -16.861 9.094   -21.636 1    45.04 ?  729 HOH A O     1 
HETATM 2106 O O     . HOH D 4 .   ? -3.414  -14.180 0.032   1    56.26 ?  730 HOH A O     1 
HETATM 2107 O O     . HOH D 4 .   ? 2.715   3.245   -14.831 1    35    ?  731 HOH A O     1 
HETATM 2108 O O     . HOH D 4 .   ? -22.317 -0.522  -21.706 1    40.74 ?  732 HOH A O     1 
HETATM 2109 O O     . HOH D 4 .   ? -25.435 9.17    -0.48   1    60.45 ?  733 HOH A O     1 
HETATM 2110 O O     . HOH D 4 .   ? 0.039   -24.104 -24.727 1    47.35 ?  734 HOH A O     1 
HETATM 2111 O O     . HOH D 4 .   ? -7.053  -4.653  -4.584  1    31.39 ?  735 HOH A O     1 
HETATM 2112 O O     . HOH D 4 .   ? 6.831   -5.367  2.27    1    31.75 ?  736 HOH A O     1 
HETATM 2113 O O     . HOH D 4 .   ? -26.721 4.207   -24.225 1    46.43 ?  737 HOH A O     1 
HETATM 2114 O O     . HOH D 4 .   ? -16.647 -3.127  -22.429 1    64.96 ?  738 HOH A O     1 
HETATM 2115 O O     . HOH D 4 .   ? -0.506  -21.478 -24.506 1    39.12 ?  739 HOH A O     1 
HETATM 2116 O O     . HOH D 4 .   ? -15.884 -2.964  1.48    1    44.77 ?  740 HOH A O     1 
HETATM 2117 O O     . HOH D 4 .   ? -4.708  -19.246 -4.386  1    44.77 ?  741 HOH A O     1 
HETATM 2118 O O     . HOH D 4 .   ? -21.685 -4.121  -18.293 1    30.88 ?  742 HOH A O     1 
HETATM 2119 O O     . HOH D 4 .   ? 13.671  -2.545  -13.026 1    49.07 ?  743 HOH A O     1 
HETATM 2120 O O     . HOH D 4 .   ? -2.552  0.689   -25.88  1    46.99 ?  744 HOH A O     1 
HETATM 2121 O O     . HOH D 4 .   ? -18.893 17.179  -8.565  1    46.93 ?  745 HOH A O     1 
HETATM 2122 O O     . HOH D 4 .   ? -30.449 -1.647  -14.38  1    48.47 ?  746 HOH A O     1 
HETATM 2123 O O     . HOH D 4 .   ? 3.531   5.978   -2.167  1    26.3  ?  747 HOH A O     1 
HETATM 2124 O O     . HOH D 4 .   ? -27.312 -3.943  -13.824 1    44.05 ?  748 HOH A O     1 
HETATM 2125 O O     . HOH D 4 .   ? -25.65  -3.489  -16.681 1    47.83 ?  749 HOH A O     1 
HETATM 2126 O O     . HOH D 4 .   ? 1.107   5.032   -14.464 1    38.27 ?  750 HOH A O     1 
HETATM 2127 O O     . HOH D 4 .   ? -3.968  6.915   4.588   1    46.05 ?  751 HOH A O     1 
HETATM 2128 O O     . HOH D 4 .   ? 9.598   -1.457  -7.177  1    54.99 ?  752 HOH A O     1 
HETATM 2129 O O     . HOH D 4 .   ? 12.077  -2.536  -6.746  1    49.9  ?  753 HOH A O     1 
HETATM 2130 O O     . HOH D 4 .   ? -20.448 -3.346  -20.264 1    40.1  ?  754 HOH A O     1 
HETATM 2131 O O     . HOH D 4 .   ? 3.75    17.127  -7.598  1    63.47 ?  755 HOH A O     1 
HETATM 2132 O O     . HOH D 4 .   ? -27.527 16.968  -13.029 1    45.35 ?  756 HOH A O     1 
HETATM 2133 O O     . HOH D 4 .   ? -18.243 -5.092  -23.56  1    42.39 ?  757 HOH A O     1 
HETATM 2134 O O     . HOH D 4 .   ? -5.422  5.950   6.579   1    52.37 ?  758 HOH A O     1 
HETATM 2135 O O     . HOH E 4 .   ? -27.931 -7.247  -0.871  1    38.75 ?  101 HOH B O     1 
HETATM 2136 O O     . HOH E 4 .   ? -28.748 -9.101  1.302   1    44.77 ?  102 HOH B O     1 
HETATM 2137 O O     . HOH E 4 .   ? -26.327 -12.019 -6.453  1    51.95 ?  103 HOH B O     1 
HETATM 2138 O O     . HOH E 4 .   ? -29.881 -4.768  -8.886  1    59.46 ?  104 HOH B O     1 
# 
