data_8RKY
# 
_entry.id   8RKY 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.400 
_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   8RKY         pdb_00008rky 10.2210/pdb8rky/pdb 
WWPDB D_1292135672 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-01-15 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8RKY 
_pdbx_database_status.recvd_initial_deposition_date   2024-01-01 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              roberto.steiner@kcl.ac.uk 
_pdbx_contact_author.name_first         Roberto 
_pdbx_contact_author.name_last          Steiner 
_pdbx_contact_author.name_mi            A 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7084-9745 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Di Palma, M.'  1 ?                   
'Surani, Y.M.'  2 ?                   
'Rahman, K.M.'  3 ?                   
'Steiner, R.A.' 4 0000-0001-7084-9745 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'X-ray structure of the drug binding domain of AlbA in complex with the KMR-14-14 compound of the pyrrolobenzodiazepines class' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Di Palma, M.'  1 ?                   
primary 'Surani, Y.M.'  2 ?                   
primary 'Rahman, K.M.'  3 ?                   
primary 'Steiner, R.A.' 4 0000-0001-7084-9745 
# 
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 'Albicidin resistance protein' 26081.402 3   ? ? ? ? 
2 non-polymer syn 
;ethyl 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate
;
780.849   4   ? ? ? ? 
3 non-polymer syn 
;~{S}-[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl] 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carbothioate
;
889.031   2   ? ? ? ? 
4 non-polymer syn '(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL' 154.251   3   ? ? ? ? 
5 water       nat water 18.015    226 ? ? ? ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;GMYDRWFSQQELQVLPFAEQDEQRNQTWLELVGEAQQLMGERCPADEPRAIALATRWMEQLEQDTAGRPEFLTRLNEMHA
AEPQMREQTGVTPEMIDFITRAFAESKLAIWARYLNAEELAFTRQHYFDRLMEWPALVADLHRACREKRDPASPEGQQLA
QRWLALFQSYAGKDAQTQQKFRYAMEQEPHLMKGTWMTSEVLSWLQQAIGVMMRQAQGPAAEGS
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GMYDRWFSQQELQVLPFAEQDEQRNQTWLELVGEAQQLMGERCPADEPRAIALATRWMEQLEQDTAGRPEFLTRLNEMHA
AEPQMREQTGVTPEMIDFITRAFAESKLAIWARYLNAEELAFTRQHYFDRLMEWPALVADLHRACREKRDPASPEGQQLA
QRWLALFQSYAGKDAQTQQKFRYAMEQEPHLMKGTWMTSEVLSWLQQAIGVMMRQAQGPAAEGS
;
_entity_poly.pdbx_strand_id                 BBB,CCC,AAA 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 
;ethyl 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate
;
A1H1R 
3 
;~{S}-[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl] 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carbothioate
;
A1H1Q 
4 '(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL' DTV   
5 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   MET n 
1 3   TYR n 
1 4   ASP n 
1 5   ARG n 
1 6   TRP n 
1 7   PHE n 
1 8   SER n 
1 9   GLN n 
1 10  GLN n 
1 11  GLU n 
1 12  LEU n 
1 13  GLN n 
1 14  VAL n 
1 15  LEU n 
1 16  PRO n 
1 17  PHE n 
1 18  ALA n 
1 19  GLU n 
1 20  GLN n 
1 21  ASP n 
1 22  GLU n 
1 23  GLN n 
1 24  ARG n 
1 25  ASN n 
1 26  GLN n 
1 27  THR n 
1 28  TRP n 
1 29  LEU n 
1 30  GLU n 
1 31  LEU n 
1 32  VAL n 
1 33  GLY n 
1 34  GLU n 
1 35  ALA n 
1 36  GLN n 
1 37  GLN n 
1 38  LEU n 
1 39  MET n 
1 40  GLY n 
1 41  GLU n 
1 42  ARG n 
1 43  CYS n 
1 44  PRO n 
1 45  ALA n 
1 46  ASP n 
1 47  GLU n 
1 48  PRO n 
1 49  ARG n 
1 50  ALA n 
1 51  ILE n 
1 52  ALA n 
1 53  LEU n 
1 54  ALA n 
1 55  THR n 
1 56  ARG n 
1 57  TRP n 
1 58  MET n 
1 59  GLU n 
1 60  GLN n 
1 61  LEU n 
1 62  GLU n 
1 63  GLN n 
1 64  ASP n 
1 65  THR n 
1 66  ALA n 
1 67  GLY n 
1 68  ARG n 
1 69  PRO n 
1 70  GLU n 
1 71  PHE n 
1 72  LEU n 
1 73  THR n 
1 74  ARG n 
1 75  LEU n 
1 76  ASN n 
1 77  GLU n 
1 78  MET n 
1 79  HIS n 
1 80  ALA n 
1 81  ALA n 
1 82  GLU n 
1 83  PRO n 
1 84  GLN n 
1 85  MET n 
1 86  ARG n 
1 87  GLU n 
1 88  GLN n 
1 89  THR n 
1 90  GLY n 
1 91  VAL n 
1 92  THR n 
1 93  PRO n 
1 94  GLU n 
1 95  MET n 
1 96  ILE n 
1 97  ASP n 
1 98  PHE n 
1 99  ILE n 
1 100 THR n 
1 101 ARG n 
1 102 ALA n 
1 103 PHE n 
1 104 ALA n 
1 105 GLU n 
1 106 SER n 
1 107 LYS n 
1 108 LEU n 
1 109 ALA n 
1 110 ILE n 
1 111 TRP n 
1 112 ALA n 
1 113 ARG n 
1 114 TYR n 
1 115 LEU n 
1 116 ASN n 
1 117 ALA n 
1 118 GLU n 
1 119 GLU n 
1 120 LEU n 
1 121 ALA n 
1 122 PHE n 
1 123 THR n 
1 124 ARG n 
1 125 GLN n 
1 126 HIS n 
1 127 TYR n 
1 128 PHE n 
1 129 ASP n 
1 130 ARG n 
1 131 LEU n 
1 132 MET n 
1 133 GLU n 
1 134 TRP n 
1 135 PRO n 
1 136 ALA n 
1 137 LEU n 
1 138 VAL n 
1 139 ALA n 
1 140 ASP n 
1 141 LEU n 
1 142 HIS n 
1 143 ARG n 
1 144 ALA n 
1 145 CYS n 
1 146 ARG n 
1 147 GLU n 
1 148 LYS n 
1 149 ARG n 
1 150 ASP n 
1 151 PRO n 
1 152 ALA n 
1 153 SER n 
1 154 PRO n 
1 155 GLU n 
1 156 GLY n 
1 157 GLN n 
1 158 GLN n 
1 159 LEU n 
1 160 ALA n 
1 161 GLN n 
1 162 ARG n 
1 163 TRP n 
1 164 LEU n 
1 165 ALA n 
1 166 LEU n 
1 167 PHE n 
1 168 GLN n 
1 169 SER n 
1 170 TYR n 
1 171 ALA n 
1 172 GLY n 
1 173 LYS n 
1 174 ASP n 
1 175 ALA n 
1 176 GLN n 
1 177 THR n 
1 178 GLN n 
1 179 GLN n 
1 180 LYS n 
1 181 PHE n 
1 182 ARG n 
1 183 TYR n 
1 184 ALA n 
1 185 MET n 
1 186 GLU n 
1 187 GLN n 
1 188 GLU n 
1 189 PRO n 
1 190 HIS n 
1 191 LEU n 
1 192 MET n 
1 193 LYS n 
1 194 GLY n 
1 195 THR n 
1 196 TRP n 
1 197 MET n 
1 198 THR n 
1 199 SER n 
1 200 GLU n 
1 201 VAL n 
1 202 LEU n 
1 203 SER n 
1 204 TRP n 
1 205 LEU n 
1 206 GLN n 
1 207 GLN n 
1 208 ALA n 
1 209 ILE n 
1 210 GLY n 
1 211 VAL n 
1 212 MET n 
1 213 MET n 
1 214 ARG n 
1 215 GLN n 
1 216 ALA n 
1 217 GLN n 
1 218 GLY n 
1 219 PRO n 
1 220 ALA n 
1 221 ALA n 
1 222 GLU n 
1 223 GLY n 
1 224 SER n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   224 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 albA 
_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      'Klebsiella oxytoca' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     571 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1H1Q non-polymer         . 
;~{S}-[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl] 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carbothioate
;
? 'C41 H44 N8 O9 S3' 889.031 
A1H1R non-polymer         . 
;ethyl 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate
;
? 'C39 H40 N8 O8 S'  780.849 
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 
DTV   non-polymer         . '(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL' ? 'C4 H10 O2 S2'     154.251 
GLN   'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'     146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'       147.129 
GLY   'peptide linking'   y GLYCINE ? 'C2 H5 N O2'       75.067  
HIS   'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1'   156.162 
HOH   non-polymer         . WATER ? 'H2 O'             18.015  
ILE   'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'      131.173 
LEU   'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'      131.173 
LYS   'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1'   147.195 
MET   'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'    149.211 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'      165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'       115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'       105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'       119.119 
TRP   'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'    204.225 
TYR   'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'      181.189 
VAL   'L-peptide linking' y VALINE ? 'C5 H11 N O2'      117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   0   0   GLY GLY BBB . n 
A 1 2   MET 2   1   1   MET MET BBB . n 
A 1 3   TYR 3   2   2   TYR TYR BBB . n 
A 1 4   ASP 4   3   3   ASP ASP BBB . n 
A 1 5   ARG 5   4   4   ARG ARG BBB . n 
A 1 6   TRP 6   5   5   TRP TRP BBB . n 
A 1 7   PHE 7   6   6   PHE PHE BBB . n 
A 1 8   SER 8   7   7   SER SER BBB . n 
A 1 9   GLN 9   8   8   GLN GLN BBB . n 
A 1 10  GLN 10  9   9   GLN GLN BBB . n 
A 1 11  GLU 11  10  10  GLU GLU BBB . n 
A 1 12  LEU 12  11  11  LEU LEU BBB . n 
A 1 13  GLN 13  12  12  GLN GLN BBB . n 
A 1 14  VAL 14  13  13  VAL VAL BBB . n 
A 1 15  LEU 15  14  14  LEU LEU BBB . n 
A 1 16  PRO 16  15  15  PRO PRO BBB . n 
A 1 17  PHE 17  16  16  PHE PHE BBB . n 
A 1 18  ALA 18  17  17  ALA ALA BBB . n 
A 1 19  GLU 19  18  18  GLU GLU BBB . n 
A 1 20  GLN 20  19  19  GLN GLN BBB . n 
A 1 21  ASP 21  20  20  ASP ASP BBB . n 
A 1 22  GLU 22  21  21  GLU GLU BBB . n 
A 1 23  GLN 23  22  22  GLN GLN BBB . n 
A 1 24  ARG 24  23  23  ARG ARG BBB . n 
A 1 25  ASN 25  24  24  ASN ASN BBB . n 
A 1 26  GLN 26  25  25  GLN GLN BBB . n 
A 1 27  THR 27  26  26  THR THR BBB . n 
A 1 28  TRP 28  27  27  TRP TRP BBB . n 
A 1 29  LEU 29  28  28  LEU LEU BBB . n 
A 1 30  GLU 30  29  29  GLU GLU BBB . n 
A 1 31  LEU 31  30  30  LEU LEU BBB . n 
A 1 32  VAL 32  31  31  VAL VAL BBB . n 
A 1 33  GLY 33  32  32  GLY GLY BBB . n 
A 1 34  GLU 34  33  33  GLU GLU BBB . n 
A 1 35  ALA 35  34  34  ALA ALA BBB . n 
A 1 36  GLN 36  35  35  GLN GLN BBB . n 
A 1 37  GLN 37  36  36  GLN GLN BBB . n 
A 1 38  LEU 38  37  37  LEU LEU BBB . n 
A 1 39  MET 39  38  38  MET MET BBB . n 
A 1 40  GLY 40  39  39  GLY GLY BBB . n 
A 1 41  GLU 41  40  40  GLU GLU BBB . n 
A 1 42  ARG 42  41  41  ARG ARG BBB . n 
A 1 43  CYS 43  42  42  CYS CYS BBB . n 
A 1 44  PRO 44  43  43  PRO PRO BBB . n 
A 1 45  ALA 45  44  44  ALA ALA BBB . n 
A 1 46  ASP 46  45  45  ASP ASP BBB . n 
A 1 47  GLU 47  46  46  GLU GLU BBB . n 
A 1 48  PRO 48  47  47  PRO PRO BBB . n 
A 1 49  ARG 49  48  48  ARG ARG BBB . n 
A 1 50  ALA 50  49  49  ALA ALA BBB . n 
A 1 51  ILE 51  50  50  ILE ILE BBB . n 
A 1 52  ALA 52  51  51  ALA ALA BBB . n 
A 1 53  LEU 53  52  52  LEU LEU BBB . n 
A 1 54  ALA 54  53  53  ALA ALA BBB . n 
A 1 55  THR 55  54  54  THR THR BBB . n 
A 1 56  ARG 56  55  55  ARG ARG BBB . n 
A 1 57  TRP 57  56  56  TRP TRP BBB . n 
A 1 58  MET 58  57  57  MET MET BBB . n 
A 1 59  GLU 59  58  58  GLU GLU BBB . n 
A 1 60  GLN 60  59  59  GLN GLN BBB . n 
A 1 61  LEU 61  60  60  LEU LEU BBB . n 
A 1 62  GLU 62  61  61  GLU GLU BBB . n 
A 1 63  GLN 63  62  62  GLN GLN BBB . n 
A 1 64  ASP 64  63  63  ASP ASP BBB . n 
A 1 65  THR 65  64  64  THR THR BBB . n 
A 1 66  ALA 66  65  65  ALA ALA BBB . n 
A 1 67  GLY 67  66  66  GLY GLY BBB . n 
A 1 68  ARG 68  67  67  ARG ARG BBB . n 
A 1 69  PRO 69  68  68  PRO PRO BBB . n 
A 1 70  GLU 70  69  69  GLU GLU BBB . n 
A 1 71  PHE 71  70  70  PHE PHE BBB . n 
A 1 72  LEU 72  71  71  LEU LEU BBB . n 
A 1 73  THR 73  72  72  THR THR BBB . n 
A 1 74  ARG 74  73  73  ARG ARG BBB . n 
A 1 75  LEU 75  74  74  LEU LEU BBB . n 
A 1 76  ASN 76  75  75  ASN ASN BBB . n 
A 1 77  GLU 77  76  76  GLU GLU BBB . n 
A 1 78  MET 78  77  77  MET MET BBB . n 
A 1 79  HIS 79  78  78  HIS HIS BBB . n 
A 1 80  ALA 80  79  79  ALA ALA BBB . n 
A 1 81  ALA 81  80  80  ALA ALA BBB . n 
A 1 82  GLU 82  81  81  GLU GLU BBB . n 
A 1 83  PRO 83  82  82  PRO PRO BBB . n 
A 1 84  GLN 84  83  83  GLN GLN BBB . n 
A 1 85  MET 85  84  84  MET MET BBB . n 
A 1 86  ARG 86  85  85  ARG ARG BBB . n 
A 1 87  GLU 87  86  86  GLU GLU BBB . n 
A 1 88  GLN 88  87  87  GLN GLN BBB . n 
A 1 89  THR 89  88  88  THR THR BBB . n 
A 1 90  GLY 90  89  89  GLY GLY BBB . n 
A 1 91  VAL 91  90  90  VAL VAL BBB . n 
A 1 92  THR 92  91  91  THR THR BBB . n 
A 1 93  PRO 93  92  92  PRO PRO BBB . n 
A 1 94  GLU 94  93  93  GLU GLU BBB . n 
A 1 95  MET 95  94  94  MET MET BBB . n 
A 1 96  ILE 96  95  95  ILE ILE BBB . n 
A 1 97  ASP 97  96  96  ASP ASP BBB . n 
A 1 98  PHE 98  97  97  PHE PHE BBB . n 
A 1 99  ILE 99  98  98  ILE ILE BBB . n 
A 1 100 THR 100 99  99  THR THR BBB . n 
A 1 101 ARG 101 100 100 ARG ARG BBB . n 
A 1 102 ALA 102 101 101 ALA ALA BBB . n 
A 1 103 PHE 103 102 102 PHE PHE BBB . n 
A 1 104 ALA 104 103 103 ALA ALA BBB . n 
A 1 105 GLU 105 104 104 GLU GLU BBB . n 
A 1 106 SER 106 105 105 SER SER BBB . n 
A 1 107 LYS 107 106 106 LYS LYS BBB . n 
A 1 108 LEU 108 107 107 LEU LEU BBB . n 
A 1 109 ALA 109 108 108 ALA ALA BBB . n 
A 1 110 ILE 110 109 109 ILE ILE BBB . n 
A 1 111 TRP 111 110 110 TRP TRP BBB . n 
A 1 112 ALA 112 111 111 ALA ALA BBB . n 
A 1 113 ARG 113 112 112 ARG ARG BBB . n 
A 1 114 TYR 114 113 113 TYR TYR BBB . n 
A 1 115 LEU 115 114 114 LEU LEU BBB . n 
A 1 116 ASN 116 115 115 ASN ASN BBB . n 
A 1 117 ALA 117 116 116 ALA ALA BBB . n 
A 1 118 GLU 118 117 117 GLU GLU BBB . n 
A 1 119 GLU 119 118 118 GLU GLU BBB . n 
A 1 120 LEU 120 119 119 LEU LEU BBB . n 
A 1 121 ALA 121 120 120 ALA ALA BBB . n 
A 1 122 PHE 122 121 121 PHE PHE BBB . n 
A 1 123 THR 123 122 122 THR THR BBB . n 
A 1 124 ARG 124 123 123 ARG ARG BBB . n 
A 1 125 GLN 125 124 124 GLN GLN BBB . n 
A 1 126 HIS 126 125 125 HIS HIS BBB . n 
A 1 127 TYR 127 126 126 TYR TYR BBB . n 
A 1 128 PHE 128 127 127 PHE PHE BBB . n 
A 1 129 ASP 129 128 128 ASP ASP BBB . n 
A 1 130 ARG 130 129 129 ARG ARG BBB . n 
A 1 131 LEU 131 130 130 LEU LEU BBB . n 
A 1 132 MET 132 131 131 MET MET BBB . n 
A 1 133 GLU 133 132 132 GLU GLU BBB . n 
A 1 134 TRP 134 133 133 TRP TRP BBB . n 
A 1 135 PRO 135 134 134 PRO PRO BBB . n 
A 1 136 ALA 136 135 135 ALA ALA BBB . n 
A 1 137 LEU 137 136 136 LEU LEU BBB . n 
A 1 138 VAL 138 137 137 VAL VAL BBB . n 
A 1 139 ALA 139 138 138 ALA ALA BBB . n 
A 1 140 ASP 140 139 139 ASP ASP BBB . n 
A 1 141 LEU 141 140 140 LEU LEU BBB . n 
A 1 142 HIS 142 141 141 HIS HIS BBB . n 
A 1 143 ARG 143 142 142 ARG ARG BBB . n 
A 1 144 ALA 144 143 143 ALA ALA BBB . n 
A 1 145 CYS 145 144 144 CYS CYS BBB . n 
A 1 146 ARG 146 145 145 ARG ARG BBB . n 
A 1 147 GLU 147 146 146 GLU GLU BBB . n 
A 1 148 LYS 148 147 147 LYS LYS BBB . n 
A 1 149 ARG 149 148 148 ARG ARG BBB . n 
A 1 150 ASP 150 149 149 ASP ASP BBB . n 
A 1 151 PRO 151 150 150 PRO PRO BBB . n 
A 1 152 ALA 152 151 151 ALA ALA BBB . n 
A 1 153 SER 153 152 152 SER SER BBB . n 
A 1 154 PRO 154 153 153 PRO PRO BBB . n 
A 1 155 GLU 155 154 154 GLU GLU BBB . n 
A 1 156 GLY 156 155 155 GLY GLY BBB . n 
A 1 157 GLN 157 156 156 GLN GLN BBB . n 
A 1 158 GLN 158 157 157 GLN GLN BBB . n 
A 1 159 LEU 159 158 158 LEU LEU BBB . n 
A 1 160 ALA 160 159 159 ALA ALA BBB . n 
A 1 161 GLN 161 160 160 GLN GLN BBB . n 
A 1 162 ARG 162 161 161 ARG ARG BBB . n 
A 1 163 TRP 163 162 162 TRP TRP BBB . n 
A 1 164 LEU 164 163 163 LEU LEU BBB . n 
A 1 165 ALA 165 164 164 ALA ALA BBB . n 
A 1 166 LEU 166 165 165 LEU LEU BBB . n 
A 1 167 PHE 167 166 166 PHE PHE BBB . n 
A 1 168 GLN 168 167 167 GLN GLN BBB . n 
A 1 169 SER 169 168 168 SER SER BBB . n 
A 1 170 TYR 170 169 169 TYR TYR BBB . n 
A 1 171 ALA 171 170 170 ALA ALA BBB . n 
A 1 172 GLY 172 171 171 GLY GLY BBB . n 
A 1 173 LYS 173 172 172 LYS LYS BBB . n 
A 1 174 ASP 174 173 173 ASP ASP BBB . n 
A 1 175 ALA 175 174 174 ALA ALA BBB . n 
A 1 176 GLN 176 175 175 GLN GLN BBB . n 
A 1 177 THR 177 176 176 THR THR BBB . n 
A 1 178 GLN 178 177 177 GLN GLN BBB . n 
A 1 179 GLN 179 178 178 GLN GLN BBB . n 
A 1 180 LYS 180 179 179 LYS LYS BBB . n 
A 1 181 PHE 181 180 180 PHE PHE BBB . n 
A 1 182 ARG 182 181 181 ARG ARG BBB . n 
A 1 183 TYR 183 182 182 TYR TYR BBB . n 
A 1 184 ALA 184 183 183 ALA ALA BBB . n 
A 1 185 MET 185 184 184 MET MET BBB . n 
A 1 186 GLU 186 185 185 GLU GLU BBB . n 
A 1 187 GLN 187 186 186 GLN GLN BBB . n 
A 1 188 GLU 188 187 187 GLU GLU BBB . n 
A 1 189 PRO 189 188 188 PRO PRO BBB . n 
A 1 190 HIS 190 189 189 HIS HIS BBB . n 
A 1 191 LEU 191 190 190 LEU LEU BBB . n 
A 1 192 MET 192 191 191 MET MET BBB . n 
A 1 193 LYS 193 192 192 LYS LYS BBB . n 
A 1 194 GLY 194 193 193 GLY GLY BBB . n 
A 1 195 THR 195 194 194 THR THR BBB . n 
A 1 196 TRP 196 195 195 TRP TRP BBB . n 
A 1 197 MET 197 196 196 MET MET BBB . n 
A 1 198 THR 198 197 197 THR THR BBB . n 
A 1 199 SER 199 198 198 SER SER BBB . n 
A 1 200 GLU 200 199 199 GLU GLU BBB . n 
A 1 201 VAL 201 200 200 VAL VAL BBB . n 
A 1 202 LEU 202 201 201 LEU LEU BBB . n 
A 1 203 SER 203 202 202 SER SER BBB . n 
A 1 204 TRP 204 203 203 TRP TRP BBB . n 
A 1 205 LEU 205 204 204 LEU LEU BBB . n 
A 1 206 GLN 206 205 205 GLN GLN BBB . n 
A 1 207 GLN 207 206 206 GLN GLN BBB . n 
A 1 208 ALA 208 207 207 ALA ALA BBB . n 
A 1 209 ILE 209 208 208 ILE ILE BBB . n 
A 1 210 GLY 210 209 209 GLY GLY BBB . n 
A 1 211 VAL 211 210 210 VAL VAL BBB . n 
A 1 212 MET 212 211 211 MET MET BBB . n 
A 1 213 MET 213 212 212 MET MET BBB . n 
A 1 214 ARG 214 213 213 ARG ARG BBB . n 
A 1 215 GLN 215 214 214 GLN GLN BBB . n 
A 1 216 ALA 216 215 215 ALA ALA BBB . n 
A 1 217 GLN 217 216 216 GLN GLN BBB . n 
A 1 218 GLY 218 217 ?   ?   ?   BBB . n 
A 1 219 PRO 219 218 ?   ?   ?   BBB . n 
A 1 220 ALA 220 219 ?   ?   ?   BBB . n 
A 1 221 ALA 221 220 ?   ?   ?   BBB . n 
A 1 222 GLU 222 221 ?   ?   ?   BBB . n 
A 1 223 GLY 223 222 ?   ?   ?   BBB . n 
A 1 224 SER 224 223 ?   ?   ?   BBB . n 
B 1 1   GLY 1   0   0   GLY GLY CCC . n 
B 1 2   MET 2   1   1   MET MET CCC . n 
B 1 3   TYR 3   2   2   TYR TYR CCC . n 
B 1 4   ASP 4   3   3   ASP ASP CCC . n 
B 1 5   ARG 5   4   4   ARG ARG CCC . n 
B 1 6   TRP 6   5   5   TRP TRP CCC . n 
B 1 7   PHE 7   6   6   PHE PHE CCC . n 
B 1 8   SER 8   7   7   SER SER CCC . n 
B 1 9   GLN 9   8   8   GLN GLN CCC . n 
B 1 10  GLN 10  9   9   GLN GLN CCC . n 
B 1 11  GLU 11  10  10  GLU GLU CCC . n 
B 1 12  LEU 12  11  11  LEU LEU CCC . n 
B 1 13  GLN 13  12  12  GLN GLN CCC . n 
B 1 14  VAL 14  13  13  VAL VAL CCC . n 
B 1 15  LEU 15  14  14  LEU LEU CCC . n 
B 1 16  PRO 16  15  15  PRO PRO CCC . n 
B 1 17  PHE 17  16  16  PHE PHE CCC . n 
B 1 18  ALA 18  17  17  ALA ALA CCC . n 
B 1 19  GLU 19  18  18  GLU GLU CCC . n 
B 1 20  GLN 20  19  19  GLN GLN CCC . n 
B 1 21  ASP 21  20  20  ASP ASP CCC . n 
B 1 22  GLU 22  21  21  GLU GLU CCC . n 
B 1 23  GLN 23  22  22  GLN GLN CCC . n 
B 1 24  ARG 24  23  23  ARG ARG CCC . n 
B 1 25  ASN 25  24  24  ASN ASN CCC . n 
B 1 26  GLN 26  25  25  GLN GLN CCC . n 
B 1 27  THR 27  26  26  THR THR CCC . n 
B 1 28  TRP 28  27  27  TRP TRP CCC . n 
B 1 29  LEU 29  28  28  LEU LEU CCC . n 
B 1 30  GLU 30  29  29  GLU GLU CCC . n 
B 1 31  LEU 31  30  30  LEU LEU CCC . n 
B 1 32  VAL 32  31  31  VAL VAL CCC . n 
B 1 33  GLY 33  32  32  GLY GLY CCC . n 
B 1 34  GLU 34  33  33  GLU GLU CCC . n 
B 1 35  ALA 35  34  34  ALA ALA CCC . n 
B 1 36  GLN 36  35  35  GLN GLN CCC . n 
B 1 37  GLN 37  36  36  GLN GLN CCC . n 
B 1 38  LEU 38  37  37  LEU LEU CCC . n 
B 1 39  MET 39  38  38  MET MET CCC . n 
B 1 40  GLY 40  39  39  GLY GLY CCC . n 
B 1 41  GLU 41  40  40  GLU GLU CCC . n 
B 1 42  ARG 42  41  41  ARG ARG CCC . n 
B 1 43  CYS 43  42  42  CYS CYS CCC . n 
B 1 44  PRO 44  43  43  PRO PRO CCC . n 
B 1 45  ALA 45  44  44  ALA ALA CCC . n 
B 1 46  ASP 46  45  45  ASP ASP CCC . n 
B 1 47  GLU 47  46  46  GLU GLU CCC . n 
B 1 48  PRO 48  47  47  PRO PRO CCC . n 
B 1 49  ARG 49  48  48  ARG ARG CCC . n 
B 1 50  ALA 50  49  49  ALA ALA CCC . n 
B 1 51  ILE 51  50  50  ILE ILE CCC . n 
B 1 52  ALA 52  51  51  ALA ALA CCC . n 
B 1 53  LEU 53  52  52  LEU LEU CCC . n 
B 1 54  ALA 54  53  53  ALA ALA CCC . n 
B 1 55  THR 55  54  54  THR THR CCC . n 
B 1 56  ARG 56  55  55  ARG ARG CCC . n 
B 1 57  TRP 57  56  56  TRP TRP CCC . n 
B 1 58  MET 58  57  57  MET MET CCC . n 
B 1 59  GLU 59  58  58  GLU GLU CCC . n 
B 1 60  GLN 60  59  59  GLN GLN CCC . n 
B 1 61  LEU 61  60  60  LEU LEU CCC . n 
B 1 62  GLU 62  61  61  GLU GLU CCC . n 
B 1 63  GLN 63  62  62  GLN GLN CCC . n 
B 1 64  ASP 64  63  63  ASP ASP CCC . n 
B 1 65  THR 65  64  64  THR THR CCC . n 
B 1 66  ALA 66  65  65  ALA ALA CCC . n 
B 1 67  GLY 67  66  66  GLY GLY CCC . n 
B 1 68  ARG 68  67  67  ARG ARG CCC . n 
B 1 69  PRO 69  68  68  PRO PRO CCC . n 
B 1 70  GLU 70  69  69  GLU GLU CCC . n 
B 1 71  PHE 71  70  70  PHE PHE CCC . n 
B 1 72  LEU 72  71  71  LEU LEU CCC . n 
B 1 73  THR 73  72  72  THR THR CCC . n 
B 1 74  ARG 74  73  73  ARG ARG CCC . n 
B 1 75  LEU 75  74  74  LEU LEU CCC . n 
B 1 76  ASN 76  75  75  ASN ASN CCC . n 
B 1 77  GLU 77  76  76  GLU GLU CCC . n 
B 1 78  MET 78  77  77  MET MET CCC . n 
B 1 79  HIS 79  78  78  HIS HIS CCC . n 
B 1 80  ALA 80  79  79  ALA ALA CCC . n 
B 1 81  ALA 81  80  80  ALA ALA CCC . n 
B 1 82  GLU 82  81  81  GLU GLU CCC . n 
B 1 83  PRO 83  82  82  PRO PRO CCC . n 
B 1 84  GLN 84  83  83  GLN GLN CCC . n 
B 1 85  MET 85  84  84  MET MET CCC . n 
B 1 86  ARG 86  85  85  ARG ARG CCC . n 
B 1 87  GLU 87  86  86  GLU GLU CCC . n 
B 1 88  GLN 88  87  87  GLN GLN CCC . n 
B 1 89  THR 89  88  88  THR THR CCC . n 
B 1 90  GLY 90  89  89  GLY GLY CCC . n 
B 1 91  VAL 91  90  90  VAL VAL CCC . n 
B 1 92  THR 92  91  91  THR THR CCC . n 
B 1 93  PRO 93  92  92  PRO PRO CCC . n 
B 1 94  GLU 94  93  93  GLU GLU CCC . n 
B 1 95  MET 95  94  94  MET MET CCC . n 
B 1 96  ILE 96  95  95  ILE ILE CCC . n 
B 1 97  ASP 97  96  96  ASP ASP CCC . n 
B 1 98  PHE 98  97  97  PHE PHE CCC . n 
B 1 99  ILE 99  98  98  ILE ILE CCC . n 
B 1 100 THR 100 99  99  THR THR CCC . n 
B 1 101 ARG 101 100 100 ARG ARG CCC . n 
B 1 102 ALA 102 101 101 ALA ALA CCC . n 
B 1 103 PHE 103 102 102 PHE PHE CCC . n 
B 1 104 ALA 104 103 103 ALA ALA CCC . n 
B 1 105 GLU 105 104 104 GLU GLU CCC . n 
B 1 106 SER 106 105 105 SER SER CCC . n 
B 1 107 LYS 107 106 106 LYS LYS CCC . n 
B 1 108 LEU 108 107 107 LEU LEU CCC . n 
B 1 109 ALA 109 108 108 ALA ALA CCC . n 
B 1 110 ILE 110 109 109 ILE ILE CCC . n 
B 1 111 TRP 111 110 110 TRP TRP CCC . n 
B 1 112 ALA 112 111 111 ALA ALA CCC . n 
B 1 113 ARG 113 112 112 ARG ARG CCC . n 
B 1 114 TYR 114 113 113 TYR TYR CCC . n 
B 1 115 LEU 115 114 114 LEU LEU CCC . n 
B 1 116 ASN 116 115 115 ASN ASN CCC . n 
B 1 117 ALA 117 116 116 ALA ALA CCC . n 
B 1 118 GLU 118 117 117 GLU GLU CCC . n 
B 1 119 GLU 119 118 118 GLU GLU CCC . n 
B 1 120 LEU 120 119 119 LEU LEU CCC . n 
B 1 121 ALA 121 120 120 ALA ALA CCC . n 
B 1 122 PHE 122 121 121 PHE PHE CCC . n 
B 1 123 THR 123 122 122 THR THR CCC . n 
B 1 124 ARG 124 123 123 ARG ARG CCC . n 
B 1 125 GLN 125 124 124 GLN GLN CCC . n 
B 1 126 HIS 126 125 125 HIS HIS CCC . n 
B 1 127 TYR 127 126 126 TYR TYR CCC . n 
B 1 128 PHE 128 127 127 PHE PHE CCC . n 
B 1 129 ASP 129 128 128 ASP ASP CCC . n 
B 1 130 ARG 130 129 129 ARG ARG CCC . n 
B 1 131 LEU 131 130 130 LEU LEU CCC . n 
B 1 132 MET 132 131 131 MET MET CCC . n 
B 1 133 GLU 133 132 132 GLU GLU CCC . n 
B 1 134 TRP 134 133 133 TRP TRP CCC . n 
B 1 135 PRO 135 134 134 PRO PRO CCC . n 
B 1 136 ALA 136 135 135 ALA ALA CCC . n 
B 1 137 LEU 137 136 136 LEU LEU CCC . n 
B 1 138 VAL 138 137 137 VAL VAL CCC . n 
B 1 139 ALA 139 138 138 ALA ALA CCC . n 
B 1 140 ASP 140 139 139 ASP ASP CCC . n 
B 1 141 LEU 141 140 140 LEU LEU CCC . n 
B 1 142 HIS 142 141 141 HIS HIS CCC . n 
B 1 143 ARG 143 142 142 ARG ARG CCC . n 
B 1 144 ALA 144 143 143 ALA ALA CCC . n 
B 1 145 CYS 145 144 144 CYS CYS CCC . n 
B 1 146 ARG 146 145 145 ARG ARG CCC . n 
B 1 147 GLU 147 146 146 GLU GLU CCC . n 
B 1 148 LYS 148 147 147 LYS LYS CCC . n 
B 1 149 ARG 149 148 148 ARG ARG CCC . n 
B 1 150 ASP 150 149 149 ASP ASP CCC . n 
B 1 151 PRO 151 150 150 PRO PRO CCC . n 
B 1 152 ALA 152 151 151 ALA ALA CCC . n 
B 1 153 SER 153 152 152 SER SER CCC . n 
B 1 154 PRO 154 153 153 PRO PRO CCC . n 
B 1 155 GLU 155 154 154 GLU GLU CCC . n 
B 1 156 GLY 156 155 155 GLY GLY CCC . n 
B 1 157 GLN 157 156 156 GLN GLN CCC . n 
B 1 158 GLN 158 157 157 GLN GLN CCC . n 
B 1 159 LEU 159 158 158 LEU LEU CCC . n 
B 1 160 ALA 160 159 159 ALA ALA CCC . n 
B 1 161 GLN 161 160 160 GLN GLN CCC . n 
B 1 162 ARG 162 161 161 ARG ARG CCC . n 
B 1 163 TRP 163 162 162 TRP TRP CCC . n 
B 1 164 LEU 164 163 163 LEU LEU CCC . n 
B 1 165 ALA 165 164 164 ALA ALA CCC . n 
B 1 166 LEU 166 165 165 LEU LEU CCC . n 
B 1 167 PHE 167 166 166 PHE PHE CCC . n 
B 1 168 GLN 168 167 167 GLN GLN CCC . n 
B 1 169 SER 169 168 168 SER SER CCC . n 
B 1 170 TYR 170 169 169 TYR TYR CCC . n 
B 1 171 ALA 171 170 170 ALA ALA CCC . n 
B 1 172 GLY 172 171 171 GLY GLY CCC . n 
B 1 173 LYS 173 172 172 LYS LYS CCC . n 
B 1 174 ASP 174 173 173 ASP ASP CCC . n 
B 1 175 ALA 175 174 174 ALA ALA CCC . n 
B 1 176 GLN 176 175 175 GLN GLN CCC . n 
B 1 177 THR 177 176 176 THR THR CCC . n 
B 1 178 GLN 178 177 177 GLN GLN CCC . n 
B 1 179 GLN 179 178 178 GLN GLN CCC . n 
B 1 180 LYS 180 179 179 LYS LYS CCC . n 
B 1 181 PHE 181 180 180 PHE PHE CCC . n 
B 1 182 ARG 182 181 181 ARG ARG CCC . n 
B 1 183 TYR 183 182 182 TYR TYR CCC . n 
B 1 184 ALA 184 183 183 ALA ALA CCC . n 
B 1 185 MET 185 184 184 MET MET CCC . n 
B 1 186 GLU 186 185 185 GLU GLU CCC . n 
B 1 187 GLN 187 186 186 GLN GLN CCC . n 
B 1 188 GLU 188 187 187 GLU GLU CCC . n 
B 1 189 PRO 189 188 188 PRO PRO CCC . n 
B 1 190 HIS 190 189 189 HIS HIS CCC . n 
B 1 191 LEU 191 190 190 LEU LEU CCC . n 
B 1 192 MET 192 191 191 MET MET CCC . n 
B 1 193 LYS 193 192 192 LYS LYS CCC . n 
B 1 194 GLY 194 193 193 GLY GLY CCC . n 
B 1 195 THR 195 194 194 THR THR CCC . n 
B 1 196 TRP 196 195 195 TRP TRP CCC . n 
B 1 197 MET 197 196 196 MET MET CCC . n 
B 1 198 THR 198 197 197 THR THR CCC . n 
B 1 199 SER 199 198 198 SER SER CCC . n 
B 1 200 GLU 200 199 199 GLU GLU CCC . n 
B 1 201 VAL 201 200 200 VAL VAL CCC . n 
B 1 202 LEU 202 201 201 LEU LEU CCC . n 
B 1 203 SER 203 202 202 SER SER CCC . n 
B 1 204 TRP 204 203 203 TRP TRP CCC . n 
B 1 205 LEU 205 204 204 LEU LEU CCC . n 
B 1 206 GLN 206 205 205 GLN GLN CCC . n 
B 1 207 GLN 207 206 206 GLN GLN CCC . n 
B 1 208 ALA 208 207 207 ALA ALA CCC . n 
B 1 209 ILE 209 208 208 ILE ILE CCC . n 
B 1 210 GLY 210 209 209 GLY GLY CCC . n 
B 1 211 VAL 211 210 210 VAL VAL CCC . n 
B 1 212 MET 212 211 211 MET MET CCC . n 
B 1 213 MET 213 212 212 MET MET CCC . n 
B 1 214 ARG 214 213 213 ARG ARG CCC . n 
B 1 215 GLN 215 214 214 GLN GLN CCC . n 
B 1 216 ALA 216 215 215 ALA ALA CCC . n 
B 1 217 GLN 217 216 216 GLN GLN CCC . n 
B 1 218 GLY 218 217 ?   ?   ?   CCC . n 
B 1 219 PRO 219 218 ?   ?   ?   CCC . n 
B 1 220 ALA 220 219 ?   ?   ?   CCC . n 
B 1 221 ALA 221 220 ?   ?   ?   CCC . n 
B 1 222 GLU 222 221 ?   ?   ?   CCC . n 
B 1 223 GLY 223 222 ?   ?   ?   CCC . n 
B 1 224 SER 224 223 ?   ?   ?   CCC . n 
C 1 1   GLY 1   0   0   GLY GLY AAA . n 
C 1 2   MET 2   1   1   MET MET AAA . n 
C 1 3   TYR 3   2   2   TYR TYR AAA . n 
C 1 4   ASP 4   3   3   ASP ASP AAA . n 
C 1 5   ARG 5   4   4   ARG ARG AAA . n 
C 1 6   TRP 6   5   5   TRP TRP AAA . n 
C 1 7   PHE 7   6   6   PHE PHE AAA . n 
C 1 8   SER 8   7   7   SER SER AAA . n 
C 1 9   GLN 9   8   8   GLN GLN AAA . n 
C 1 10  GLN 10  9   9   GLN GLN AAA . n 
C 1 11  GLU 11  10  10  GLU GLU AAA . n 
C 1 12  LEU 12  11  11  LEU LEU AAA . n 
C 1 13  GLN 13  12  12  GLN GLN AAA . n 
C 1 14  VAL 14  13  13  VAL VAL AAA . n 
C 1 15  LEU 15  14  14  LEU LEU AAA . n 
C 1 16  PRO 16  15  15  PRO PRO AAA . n 
C 1 17  PHE 17  16  16  PHE PHE AAA . n 
C 1 18  ALA 18  17  17  ALA ALA AAA . n 
C 1 19  GLU 19  18  18  GLU GLU AAA . n 
C 1 20  GLN 20  19  19  GLN GLN AAA . n 
C 1 21  ASP 21  20  20  ASP ASP AAA . n 
C 1 22  GLU 22  21  21  GLU GLU AAA . n 
C 1 23  GLN 23  22  22  GLN GLN AAA . n 
C 1 24  ARG 24  23  23  ARG ARG AAA . n 
C 1 25  ASN 25  24  24  ASN ASN AAA . n 
C 1 26  GLN 26  25  25  GLN GLN AAA . n 
C 1 27  THR 27  26  26  THR THR AAA . n 
C 1 28  TRP 28  27  27  TRP TRP AAA . n 
C 1 29  LEU 29  28  28  LEU LEU AAA . n 
C 1 30  GLU 30  29  29  GLU GLU AAA . n 
C 1 31  LEU 31  30  30  LEU LEU AAA . n 
C 1 32  VAL 32  31  31  VAL VAL AAA . n 
C 1 33  GLY 33  32  32  GLY GLY AAA . n 
C 1 34  GLU 34  33  33  GLU GLU AAA . n 
C 1 35  ALA 35  34  34  ALA ALA AAA . n 
C 1 36  GLN 36  35  35  GLN GLN AAA . n 
C 1 37  GLN 37  36  36  GLN GLN AAA . n 
C 1 38  LEU 38  37  37  LEU LEU AAA . n 
C 1 39  MET 39  38  38  MET MET AAA . n 
C 1 40  GLY 40  39  39  GLY GLY AAA . n 
C 1 41  GLU 41  40  40  GLU GLU AAA . n 
C 1 42  ARG 42  41  41  ARG ARG AAA . n 
C 1 43  CYS 43  42  42  CYS CYS AAA . n 
C 1 44  PRO 44  43  43  PRO PRO AAA . n 
C 1 45  ALA 45  44  44  ALA ALA AAA . n 
C 1 46  ASP 46  45  45  ASP ASP AAA . n 
C 1 47  GLU 47  46  46  GLU GLU AAA . n 
C 1 48  PRO 48  47  47  PRO PRO AAA . n 
C 1 49  ARG 49  48  48  ARG ARG AAA . n 
C 1 50  ALA 50  49  49  ALA ALA AAA . n 
C 1 51  ILE 51  50  50  ILE ILE AAA . n 
C 1 52  ALA 52  51  51  ALA ALA AAA . n 
C 1 53  LEU 53  52  52  LEU LEU AAA . n 
C 1 54  ALA 54  53  53  ALA ALA AAA . n 
C 1 55  THR 55  54  54  THR THR AAA . n 
C 1 56  ARG 56  55  55  ARG ARG AAA . n 
C 1 57  TRP 57  56  56  TRP TRP AAA . n 
C 1 58  MET 58  57  57  MET MET AAA . n 
C 1 59  GLU 59  58  58  GLU GLU AAA . n 
C 1 60  GLN 60  59  59  GLN GLN AAA . n 
C 1 61  LEU 61  60  60  LEU LEU AAA . n 
C 1 62  GLU 62  61  61  GLU GLU AAA . n 
C 1 63  GLN 63  62  62  GLN GLN AAA . n 
C 1 64  ASP 64  63  63  ASP ASP AAA . n 
C 1 65  THR 65  64  64  THR THR AAA . n 
C 1 66  ALA 66  65  65  ALA ALA AAA . n 
C 1 67  GLY 67  66  66  GLY GLY AAA . n 
C 1 68  ARG 68  67  67  ARG ARG AAA . n 
C 1 69  PRO 69  68  68  PRO PRO AAA . n 
C 1 70  GLU 70  69  69  GLU GLU AAA . n 
C 1 71  PHE 71  70  70  PHE PHE AAA . n 
C 1 72  LEU 72  71  71  LEU LEU AAA . n 
C 1 73  THR 73  72  72  THR THR AAA . n 
C 1 74  ARG 74  73  73  ARG ARG AAA . n 
C 1 75  LEU 75  74  74  LEU LEU AAA . n 
C 1 76  ASN 76  75  75  ASN ASN AAA . n 
C 1 77  GLU 77  76  76  GLU GLU AAA . n 
C 1 78  MET 78  77  77  MET MET AAA . n 
C 1 79  HIS 79  78  78  HIS HIS AAA . n 
C 1 80  ALA 80  79  79  ALA ALA AAA . n 
C 1 81  ALA 81  80  80  ALA ALA AAA . n 
C 1 82  GLU 82  81  81  GLU GLU AAA . n 
C 1 83  PRO 83  82  82  PRO PRO AAA . n 
C 1 84  GLN 84  83  83  GLN GLN AAA . n 
C 1 85  MET 85  84  84  MET MET AAA . n 
C 1 86  ARG 86  85  85  ARG ARG AAA . n 
C 1 87  GLU 87  86  86  GLU GLU AAA . n 
C 1 88  GLN 88  87  87  GLN GLN AAA . n 
C 1 89  THR 89  88  88  THR THR AAA . n 
C 1 90  GLY 90  89  89  GLY GLY AAA . n 
C 1 91  VAL 91  90  90  VAL VAL AAA . n 
C 1 92  THR 92  91  91  THR THR AAA . n 
C 1 93  PRO 93  92  92  PRO PRO AAA . n 
C 1 94  GLU 94  93  93  GLU GLU AAA . n 
C 1 95  MET 95  94  94  MET MET AAA . n 
C 1 96  ILE 96  95  95  ILE ILE AAA . n 
C 1 97  ASP 97  96  96  ASP ASP AAA . n 
C 1 98  PHE 98  97  97  PHE PHE AAA . n 
C 1 99  ILE 99  98  98  ILE ILE AAA . n 
C 1 100 THR 100 99  99  THR THR AAA . n 
C 1 101 ARG 101 100 100 ARG ARG AAA . n 
C 1 102 ALA 102 101 101 ALA ALA AAA . n 
C 1 103 PHE 103 102 102 PHE PHE AAA . n 
C 1 104 ALA 104 103 103 ALA ALA AAA . n 
C 1 105 GLU 105 104 104 GLU GLU AAA . n 
C 1 106 SER 106 105 105 SER SER AAA . n 
C 1 107 LYS 107 106 106 LYS LYS AAA . n 
C 1 108 LEU 108 107 107 LEU LEU AAA . n 
C 1 109 ALA 109 108 108 ALA ALA AAA . n 
C 1 110 ILE 110 109 109 ILE ILE AAA . n 
C 1 111 TRP 111 110 110 TRP TRP AAA . n 
C 1 112 ALA 112 111 111 ALA ALA AAA . n 
C 1 113 ARG 113 112 112 ARG ARG AAA . n 
C 1 114 TYR 114 113 113 TYR TYR AAA . n 
C 1 115 LEU 115 114 114 LEU LEU AAA . n 
C 1 116 ASN 116 115 115 ASN ASN AAA . n 
C 1 117 ALA 117 116 116 ALA ALA AAA . n 
C 1 118 GLU 118 117 117 GLU GLU AAA . n 
C 1 119 GLU 119 118 118 GLU GLU AAA . n 
C 1 120 LEU 120 119 119 LEU LEU AAA . n 
C 1 121 ALA 121 120 120 ALA ALA AAA . n 
C 1 122 PHE 122 121 121 PHE PHE AAA . n 
C 1 123 THR 123 122 122 THR THR AAA . n 
C 1 124 ARG 124 123 123 ARG ARG AAA . n 
C 1 125 GLN 125 124 124 GLN GLN AAA . n 
C 1 126 HIS 126 125 125 HIS HIS AAA . n 
C 1 127 TYR 127 126 126 TYR TYR AAA . n 
C 1 128 PHE 128 127 127 PHE PHE AAA . n 
C 1 129 ASP 129 128 128 ASP ASP AAA . n 
C 1 130 ARG 130 129 129 ARG ARG AAA . n 
C 1 131 LEU 131 130 130 LEU LEU AAA . n 
C 1 132 MET 132 131 131 MET MET AAA . n 
C 1 133 GLU 133 132 132 GLU GLU AAA . n 
C 1 134 TRP 134 133 133 TRP TRP AAA . n 
C 1 135 PRO 135 134 134 PRO PRO AAA . n 
C 1 136 ALA 136 135 135 ALA ALA AAA . n 
C 1 137 LEU 137 136 136 LEU LEU AAA . n 
C 1 138 VAL 138 137 137 VAL VAL AAA . n 
C 1 139 ALA 139 138 138 ALA ALA AAA . n 
C 1 140 ASP 140 139 139 ASP ASP AAA . n 
C 1 141 LEU 141 140 140 LEU LEU AAA . n 
C 1 142 HIS 142 141 141 HIS HIS AAA . n 
C 1 143 ARG 143 142 142 ARG ARG AAA . n 
C 1 144 ALA 144 143 143 ALA ALA AAA . n 
C 1 145 CYS 145 144 144 CYS CYS AAA . n 
C 1 146 ARG 146 145 145 ARG ARG AAA . n 
C 1 147 GLU 147 146 146 GLU GLU AAA . n 
C 1 148 LYS 148 147 147 LYS LYS AAA . n 
C 1 149 ARG 149 148 148 ARG ARG AAA . n 
C 1 150 ASP 150 149 149 ASP ASP AAA . n 
C 1 151 PRO 151 150 150 PRO PRO AAA . n 
C 1 152 ALA 152 151 151 ALA ALA AAA . n 
C 1 153 SER 153 152 152 SER SER AAA . n 
C 1 154 PRO 154 153 153 PRO PRO AAA . n 
C 1 155 GLU 155 154 154 GLU GLU AAA . n 
C 1 156 GLY 156 155 155 GLY GLY AAA . n 
C 1 157 GLN 157 156 156 GLN GLN AAA . n 
C 1 158 GLN 158 157 157 GLN GLN AAA . n 
C 1 159 LEU 159 158 158 LEU LEU AAA . n 
C 1 160 ALA 160 159 159 ALA ALA AAA . n 
C 1 161 GLN 161 160 160 GLN GLN AAA . n 
C 1 162 ARG 162 161 161 ARG ARG AAA . n 
C 1 163 TRP 163 162 162 TRP TRP AAA . n 
C 1 164 LEU 164 163 163 LEU LEU AAA . n 
C 1 165 ALA 165 164 164 ALA ALA AAA . n 
C 1 166 LEU 166 165 165 LEU LEU AAA . n 
C 1 167 PHE 167 166 166 PHE PHE AAA . n 
C 1 168 GLN 168 167 167 GLN GLN AAA . n 
C 1 169 SER 169 168 168 SER SER AAA . n 
C 1 170 TYR 170 169 169 TYR TYR AAA . n 
C 1 171 ALA 171 170 170 ALA ALA AAA . n 
C 1 172 GLY 172 171 171 GLY GLY AAA . n 
C 1 173 LYS 173 172 172 LYS LYS AAA . n 
C 1 174 ASP 174 173 173 ASP ASP AAA . n 
C 1 175 ALA 175 174 174 ALA ALA AAA . n 
C 1 176 GLN 176 175 175 GLN GLN AAA . n 
C 1 177 THR 177 176 176 THR THR AAA . n 
C 1 178 GLN 178 177 177 GLN GLN AAA . n 
C 1 179 GLN 179 178 178 GLN GLN AAA . n 
C 1 180 LYS 180 179 179 LYS LYS AAA . n 
C 1 181 PHE 181 180 180 PHE PHE AAA . n 
C 1 182 ARG 182 181 181 ARG ARG AAA . n 
C 1 183 TYR 183 182 182 TYR TYR AAA . n 
C 1 184 ALA 184 183 183 ALA ALA AAA . n 
C 1 185 MET 185 184 184 MET MET AAA . n 
C 1 186 GLU 186 185 185 GLU GLU AAA . n 
C 1 187 GLN 187 186 186 GLN GLN AAA . n 
C 1 188 GLU 188 187 187 GLU GLU AAA . n 
C 1 189 PRO 189 188 188 PRO PRO AAA . n 
C 1 190 HIS 190 189 189 HIS HIS AAA . n 
C 1 191 LEU 191 190 190 LEU LEU AAA . n 
C 1 192 MET 192 191 191 MET MET AAA . n 
C 1 193 LYS 193 192 192 LYS LYS AAA . n 
C 1 194 GLY 194 193 193 GLY GLY AAA . n 
C 1 195 THR 195 194 194 THR THR AAA . n 
C 1 196 TRP 196 195 195 TRP TRP AAA . n 
C 1 197 MET 197 196 196 MET MET AAA . n 
C 1 198 THR 198 197 197 THR THR AAA . n 
C 1 199 SER 199 198 198 SER SER AAA . n 
C 1 200 GLU 200 199 199 GLU GLU AAA . n 
C 1 201 VAL 201 200 200 VAL VAL AAA . n 
C 1 202 LEU 202 201 201 LEU LEU AAA . n 
C 1 203 SER 203 202 202 SER SER AAA . n 
C 1 204 TRP 204 203 203 TRP TRP AAA . n 
C 1 205 LEU 205 204 204 LEU LEU AAA . n 
C 1 206 GLN 206 205 205 GLN GLN AAA . n 
C 1 207 GLN 207 206 206 GLN GLN AAA . n 
C 1 208 ALA 208 207 207 ALA ALA AAA . n 
C 1 209 ILE 209 208 208 ILE ILE AAA . n 
C 1 210 GLY 210 209 209 GLY GLY AAA . n 
C 1 211 VAL 211 210 210 VAL VAL AAA . n 
C 1 212 MET 212 211 211 MET MET AAA . n 
C 1 213 MET 213 212 212 MET MET AAA . n 
C 1 214 ARG 214 213 213 ARG ARG AAA . n 
C 1 215 GLN 215 214 214 GLN GLN AAA . n 
C 1 216 ALA 216 215 215 ALA ALA AAA . n 
C 1 217 GLN 217 216 ?   ?   ?   AAA . n 
C 1 218 GLY 218 217 ?   ?   ?   AAA . n 
C 1 219 PRO 219 218 ?   ?   ?   AAA . n 
C 1 220 ALA 220 219 ?   ?   ?   AAA . n 
C 1 221 ALA 221 220 ?   ?   ?   AAA . n 
C 1 222 GLU 222 221 ?   ?   ?   AAA . n 
C 1 223 GLY 223 222 ?   ?   ?   AAA . n 
C 1 224 SER 224 223 ?   ?   ?   AAA . 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 A1H1Q ? ? A1H1Q ? ? 'SUBJECT OF INVESTIGATION' ? 
2 A1H1R ? ? A1H1R ? ? '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 
D 2 A1H1R 1  301 301 A1H1R KMR BBB . 
E 3 A1H1Q 1  302 302 A1H1Q KMD BBB . 
F 4 DTV   1  303 3   DTV   DTT BBB . 
G 2 A1H1R 1  301 301 A1H1R KMR CCC . 
H 3 A1H1Q 1  302 302 A1H1Q KMD CCC . 
I 2 A1H1R 1  301 301 A1H1R KMR AAA . 
J 2 A1H1R 1  302 302 A1H1R KMR AAA . 
K 4 DTV   1  303 1   DTV   DTT AAA . 
L 4 DTV   1  304 2   DTV   DTT AAA . 
M 5 HOH   1  401 42  HOH   HOH BBB . 
M 5 HOH   2  402 9   HOH   HOH BBB . 
M 5 HOH   3  403 252 HOH   HOH BBB . 
M 5 HOH   4  404 244 HOH   HOH BBB . 
M 5 HOH   5  405 249 HOH   HOH BBB . 
M 5 HOH   6  406 239 HOH   HOH BBB . 
M 5 HOH   7  407 80  HOH   HOH BBB . 
M 5 HOH   8  408 136 HOH   HOH BBB . 
M 5 HOH   9  409 113 HOH   HOH BBB . 
M 5 HOH   10 410 62  HOH   HOH BBB . 
M 5 HOH   11 411 84  HOH   HOH BBB . 
M 5 HOH   12 412 206 HOH   HOH BBB . 
M 5 HOH   13 413 52  HOH   HOH BBB . 
M 5 HOH   14 414 49  HOH   HOH BBB . 
M 5 HOH   15 415 31  HOH   HOH BBB . 
M 5 HOH   16 416 93  HOH   HOH BBB . 
M 5 HOH   17 417 110 HOH   HOH BBB . 
M 5 HOH   18 418 198 HOH   HOH BBB . 
M 5 HOH   19 419 25  HOH   HOH BBB . 
M 5 HOH   20 420 231 HOH   HOH BBB . 
M 5 HOH   21 421 56  HOH   HOH BBB . 
M 5 HOH   22 422 141 HOH   HOH BBB . 
M 5 HOH   23 423 88  HOH   HOH BBB . 
M 5 HOH   24 424 243 HOH   HOH BBB . 
M 5 HOH   25 425 125 HOH   HOH BBB . 
M 5 HOH   26 426 37  HOH   HOH BBB . 
M 5 HOH   27 427 44  HOH   HOH BBB . 
M 5 HOH   28 428 112 HOH   HOH BBB . 
M 5 HOH   29 429 91  HOH   HOH BBB . 
M 5 HOH   30 430 13  HOH   HOH BBB . 
M 5 HOH   31 431 36  HOH   HOH BBB . 
M 5 HOH   32 432 207 HOH   HOH BBB . 
M 5 HOH   33 433 12  HOH   HOH BBB . 
M 5 HOH   34 434 10  HOH   HOH BBB . 
M 5 HOH   35 435 1   HOH   HOH BBB . 
M 5 HOH   36 436 242 HOH   HOH BBB . 
M 5 HOH   37 437 16  HOH   HOH BBB . 
M 5 HOH   38 438 251 HOH   HOH BBB . 
M 5 HOH   39 439 114 HOH   HOH BBB . 
M 5 HOH   40 440 109 HOH   HOH BBB . 
M 5 HOH   41 441 246 HOH   HOH BBB . 
M 5 HOH   42 442 5   HOH   HOH BBB . 
M 5 HOH   43 443 18  HOH   HOH BBB . 
M 5 HOH   44 444 79  HOH   HOH BBB . 
M 5 HOH   45 445 143 HOH   HOH BBB . 
M 5 HOH   46 446 159 HOH   HOH BBB . 
M 5 HOH   47 447 127 HOH   HOH BBB . 
M 5 HOH   48 448 248 HOH   HOH BBB . 
M 5 HOH   49 449 74  HOH   HOH BBB . 
M 5 HOH   50 450 199 HOH   HOH BBB . 
M 5 HOH   51 451 55  HOH   HOH BBB . 
M 5 HOH   52 452 157 HOH   HOH BBB . 
M 5 HOH   53 453 51  HOH   HOH BBB . 
M 5 HOH   54 454 200 HOH   HOH BBB . 
M 5 HOH   55 455 108 HOH   HOH BBB . 
M 5 HOH   56 456 123 HOH   HOH BBB . 
M 5 HOH   57 457 59  HOH   HOH BBB . 
M 5 HOH   58 458 135 HOH   HOH BBB . 
M 5 HOH   59 459 232 HOH   HOH BBB . 
M 5 HOH   60 460 98  HOH   HOH BBB . 
M 5 HOH   61 461 144 HOH   HOH BBB . 
M 5 HOH   62 462 4   HOH   HOH BBB . 
M 5 HOH   63 463 115 HOH   HOH BBB . 
M 5 HOH   64 464 87  HOH   HOH BBB . 
M 5 HOH   65 465 63  HOH   HOH BBB . 
M 5 HOH   66 466 222 HOH   HOH BBB . 
M 5 HOH   67 467 68  HOH   HOH BBB . 
M 5 HOH   68 468 186 HOH   HOH BBB . 
M 5 HOH   69 469 148 HOH   HOH BBB . 
M 5 HOH   70 470 166 HOH   HOH BBB . 
M 5 HOH   71 471 165 HOH   HOH BBB . 
M 5 HOH   72 472 188 HOH   HOH BBB . 
M 5 HOH   73 473 195 HOH   HOH BBB . 
M 5 HOH   74 474 64  HOH   HOH BBB . 
M 5 HOH   75 475 162 HOH   HOH BBB . 
M 5 HOH   76 476 50  HOH   HOH BBB . 
M 5 HOH   77 477 26  HOH   HOH BBB . 
M 5 HOH   78 478 167 HOH   HOH BBB . 
M 5 HOH   79 479 138 HOH   HOH BBB . 
M 5 HOH   80 480 32  HOH   HOH BBB . 
M 5 HOH   81 481 176 HOH   HOH BBB . 
M 5 HOH   82 482 126 HOH   HOH BBB . 
M 5 HOH   83 483 208 HOH   HOH BBB . 
M 5 HOH   84 484 201 HOH   HOH BBB . 
M 5 HOH   85 485 140 HOH   HOH BBB . 
M 5 HOH   86 486 137 HOH   HOH BBB . 
N 5 HOH   1  401 254 HOH   HOH CCC . 
N 5 HOH   2  402 67  HOH   HOH CCC . 
N 5 HOH   3  403 19  HOH   HOH CCC . 
N 5 HOH   4  404 54  HOH   HOH CCC . 
N 5 HOH   5  405 229 HOH   HOH CCC . 
N 5 HOH   6  406 190 HOH   HOH CCC . 
N 5 HOH   7  407 150 HOH   HOH CCC . 
N 5 HOH   8  408 164 HOH   HOH CCC . 
N 5 HOH   9  409 8   HOH   HOH CCC . 
N 5 HOH   10 410 234 HOH   HOH CCC . 
N 5 HOH   11 411 205 HOH   HOH CCC . 
N 5 HOH   12 412 70  HOH   HOH CCC . 
N 5 HOH   13 413 175 HOH   HOH CCC . 
N 5 HOH   14 414 100 HOH   HOH CCC . 
N 5 HOH   15 415 160 HOH   HOH CCC . 
N 5 HOH   16 416 178 HOH   HOH CCC . 
N 5 HOH   17 417 147 HOH   HOH CCC . 
N 5 HOH   18 418 227 HOH   HOH CCC . 
N 5 HOH   19 419 142 HOH   HOH CCC . 
N 5 HOH   20 420 111 HOH   HOH CCC . 
N 5 HOH   21 421 119 HOH   HOH CCC . 
N 5 HOH   22 422 161 HOH   HOH CCC . 
N 5 HOH   23 423 131 HOH   HOH CCC . 
N 5 HOH   24 424 21  HOH   HOH CCC . 
N 5 HOH   25 425 2   HOH   HOH CCC . 
N 5 HOH   26 426 130 HOH   HOH CCC . 
N 5 HOH   27 427 128 HOH   HOH CCC . 
N 5 HOH   28 428 209 HOH   HOH CCC . 
N 5 HOH   29 429 41  HOH   HOH CCC . 
N 5 HOH   30 430 101 HOH   HOH CCC . 
N 5 HOH   31 431 43  HOH   HOH CCC . 
N 5 HOH   32 432 177 HOH   HOH CCC . 
N 5 HOH   33 433 97  HOH   HOH CCC . 
N 5 HOH   34 434 193 HOH   HOH CCC . 
N 5 HOH   35 435 197 HOH   HOH CCC . 
N 5 HOH   36 436 217 HOH   HOH CCC . 
N 5 HOH   37 437 7   HOH   HOH CCC . 
N 5 HOH   38 438 65  HOH   HOH CCC . 
N 5 HOH   39 439 213 HOH   HOH CCC . 
N 5 HOH   40 440 230 HOH   HOH CCC . 
N 5 HOH   41 441 224 HOH   HOH CCC . 
N 5 HOH   42 442 129 HOH   HOH CCC . 
N 5 HOH   43 443 253 HOH   HOH CCC . 
N 5 HOH   44 444 223 HOH   HOH CCC . 
N 5 HOH   45 445 163 HOH   HOH CCC . 
N 5 HOH   46 446 255 HOH   HOH CCC . 
N 5 HOH   47 447 233 HOH   HOH CCC . 
N 5 HOH   48 448 60  HOH   HOH CCC . 
N 5 HOH   49 449 211 HOH   HOH CCC . 
N 5 HOH   50 450 203 HOH   HOH CCC . 
N 5 HOH   51 451 238 HOH   HOH CCC . 
N 5 HOH   52 452 210 HOH   HOH CCC . 
N 5 HOH   53 453 218 HOH   HOH CCC . 
N 5 HOH   54 454 212 HOH   HOH CCC . 
O 5 HOH   1  401 28  HOH   HOH AAA . 
O 5 HOH   2  402 106 HOH   HOH AAA . 
O 5 HOH   3  403 103 HOH   HOH AAA . 
O 5 HOH   4  404 38  HOH   HOH AAA . 
O 5 HOH   5  405 235 HOH   HOH AAA . 
O 5 HOH   6  406 78  HOH   HOH AAA . 
O 5 HOH   7  407 48  HOH   HOH AAA . 
O 5 HOH   8  408 71  HOH   HOH AAA . 
O 5 HOH   9  409 23  HOH   HOH AAA . 
O 5 HOH   10 410 33  HOH   HOH AAA . 
O 5 HOH   11 411 83  HOH   HOH AAA . 
O 5 HOH   12 412 72  HOH   HOH AAA . 
O 5 HOH   13 413 46  HOH   HOH AAA . 
O 5 HOH   14 414 14  HOH   HOH AAA . 
O 5 HOH   15 415 15  HOH   HOH AAA . 
O 5 HOH   16 416 11  HOH   HOH AAA . 
O 5 HOH   17 417 118 HOH   HOH AAA . 
O 5 HOH   18 418 104 HOH   HOH AAA . 
O 5 HOH   19 419 220 HOH   HOH AAA . 
O 5 HOH   20 420 22  HOH   HOH AAA . 
O 5 HOH   21 421 117 HOH   HOH AAA . 
O 5 HOH   22 422 27  HOH   HOH AAA . 
O 5 HOH   23 423 40  HOH   HOH AAA . 
O 5 HOH   24 424 183 HOH   HOH AAA . 
O 5 HOH   25 425 17  HOH   HOH AAA . 
O 5 HOH   26 426 172 HOH   HOH AAA . 
O 5 HOH   27 427 89  HOH   HOH AAA . 
O 5 HOH   28 428 66  HOH   HOH AAA . 
O 5 HOH   29 429 20  HOH   HOH AAA . 
O 5 HOH   30 430 76  HOH   HOH AAA . 
O 5 HOH   31 431 3   HOH   HOH AAA . 
O 5 HOH   32 432 174 HOH   HOH AAA . 
O 5 HOH   33 433 82  HOH   HOH AAA . 
O 5 HOH   34 434 47  HOH   HOH AAA . 
O 5 HOH   35 435 179 HOH   HOH AAA . 
O 5 HOH   36 436 236 HOH   HOH AAA . 
O 5 HOH   37 437 105 HOH   HOH AAA . 
O 5 HOH   38 438 29  HOH   HOH AAA . 
O 5 HOH   39 439 6   HOH   HOH AAA . 
O 5 HOH   40 440 237 HOH   HOH AAA . 
O 5 HOH   41 441 134 HOH   HOH AAA . 
O 5 HOH   42 442 173 HOH   HOH AAA . 
O 5 HOH   43 443 171 HOH   HOH AAA . 
O 5 HOH   44 444 145 HOH   HOH AAA . 
O 5 HOH   45 445 133 HOH   HOH AAA . 
O 5 HOH   46 446 75  HOH   HOH AAA . 
O 5 HOH   47 447 181 HOH   HOH AAA . 
O 5 HOH   48 448 45  HOH   HOH AAA . 
O 5 HOH   49 449 214 HOH   HOH AAA . 
O 5 HOH   50 450 153 HOH   HOH AAA . 
O 5 HOH   51 451 77  HOH   HOH AAA . 
O 5 HOH   52 452 53  HOH   HOH AAA . 
O 5 HOH   53 453 102 HOH   HOH AAA . 
O 5 HOH   54 454 99  HOH   HOH AAA . 
O 5 HOH   55 455 139 HOH   HOH AAA . 
O 5 HOH   56 456 24  HOH   HOH AAA . 
O 5 HOH   57 457 39  HOH   HOH AAA . 
O 5 HOH   58 458 189 HOH   HOH AAA . 
O 5 HOH   59 459 180 HOH   HOH AAA . 
O 5 HOH   60 460 187 HOH   HOH AAA . 
O 5 HOH   61 461 156 HOH   HOH AAA . 
O 5 HOH   62 462 73  HOH   HOH AAA . 
O 5 HOH   63 463 194 HOH   HOH AAA . 
O 5 HOH   64 464 202 HOH   HOH AAA . 
O 5 HOH   65 465 30  HOH   HOH AAA . 
O 5 HOH   66 466 192 HOH   HOH AAA . 
O 5 HOH   67 467 184 HOH   HOH AAA . 
O 5 HOH   68 468 204 HOH   HOH AAA . 
O 5 HOH   69 469 34  HOH   HOH AAA . 
O 5 HOH   70 470 168 HOH   HOH AAA . 
O 5 HOH   71 471 182 HOH   HOH AAA . 
O 5 HOH   72 472 85  HOH   HOH AAA . 
O 5 HOH   73 473 185 HOH   HOH AAA . 
O 5 HOH   74 474 90  HOH   HOH AAA . 
O 5 HOH   75 475 107 HOH   HOH AAA . 
O 5 HOH   76 476 196 HOH   HOH AAA . 
O 5 HOH   77 477 154 HOH   HOH AAA . 
O 5 HOH   78 478 35  HOH   HOH AAA . 
O 5 HOH   79 479 170 HOH   HOH AAA . 
O 5 HOH   80 480 152 HOH   HOH AAA . 
O 5 HOH   81 481 92  HOH   HOH AAA . 
O 5 HOH   82 482 81  HOH   HOH AAA . 
O 5 HOH   83 483 69  HOH   HOH AAA . 
O 5 HOH   84 484 86  HOH   HOH AAA . 
O 5 HOH   85 485 191 HOH   HOH AAA . 
O 5 HOH   86 486 149 HOH   HOH AAA . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? 5.8.0267 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   92.073 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8RKY 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     182.631 
_cell.length_a_esd                 ? 
_cell.length_b                     118.950 
_cell.length_b_esd                 ? 
_cell.length_c                     57.702 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        12 
_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                         8RKY 
_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                   8RKY 
_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             4.00 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          69.27 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '1.2M Ammonium sulphate' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER2 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         2023-06-14 
_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   0.87313 
_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                        'ESRF BEAMLINE ID30B' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.87313 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID30B 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8RKY 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.17 
_reflns.d_resolution_low                               49.49 
_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                                     64940 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                4.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          12.3 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                0.030 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.055 
_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                                    2.17 
_reflns_shell.d_res_low                                     2.25 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.9 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             6345 
_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                               4.4 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               0.764 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.365 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.435 
_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]                            0.489 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.421 
_refine.aniso_B[2][2]                            -0.365 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -0.093 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               68.747 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.963 
_refine.correlation_coeff_Fo_to_Fc_free          0.955 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8RKY 
_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                            2.170 
_refine.ls_d_res_low                             49.49 
_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                     64905 
_refine.ls_number_reflns_R_free                  3278 
_refine.ls_number_reflns_R_work                  61627 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.745 
_refine.ls_percent_reflns_R_free                 5.050 
_refine.ls_R_factor_all                          0.210 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2337 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2084 
_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                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.186 
_refine.pdbx_overall_ESU_R_Free                  0.162 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             12.301 
_refine.overall_SU_ML                            0.154 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        5358 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         370 
_refine_hist.number_atoms_solvent             226 
_refine_hist.number_atoms_total               5954 
_refine_hist.d_res_high                       2.170 
_refine_hist.d_res_low                        49.49 
# 
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' ? 0.005  0.013  6040  ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.015  5453  ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.273  1.656  8211  ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.187  1.638  12487 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 4.692  5.000  674   ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 31.335 21.763 380   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.230 15.000 993   ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 20.761 15.000 58    ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.055  0.200  701   ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.012  0.021  7633  ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  1549  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.209  0.200  1331  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.180  0.200  4955  ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.158  0.200  2913  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.078  0.200  2570  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.173  0.200  217   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.022  0.200  2     ? r_symmetry_xyhbond_nbd_other   ? ? 
'X-RAY DIFFRACTION' ? 0.225  0.200  33    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.173  0.200  74    ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.176  0.200  20    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.722  4.714  2666  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.722  4.713  2665  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.863  7.058  3350  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.862  7.060  3351  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.309  5.593  3374  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.309  5.594  3375  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.893  8.279  4861  ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.892  8.281  4862  ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 9.317  58.231 6928  ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 9.339  58.043 6879  ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 0.096  0.050  7167  ? r_ncsr_local_group_1           ? ? 
'X-RAY DIFFRACTION' ? 0.085  0.050  7179  ? r_ncsr_local_group_2           ? ? 
'X-RAY DIFFRACTION' ? 0.090  0.050  7179  ? r_ncsr_local_group_3           ? ? 
# 
loop_
_refine_ls_restr_ncs.pdbx_refine_id 
_refine_ls_restr_ncs.dom_id 
_refine_ls_restr_ncs.ncs_model_details 
_refine_ls_restr_ncs.rms_dev_B_iso 
_refine_ls_restr_ncs.rms_dev_position 
_refine_ls_restr_ncs.weight_B_iso 
_refine_ls_restr_ncs.weight_position 
_refine_ls_restr_ncs.pdbx_ordinal 
_refine_ls_restr_ncs.pdbx_type 
_refine_ls_restr_ncs.pdbx_asym_id 
_refine_ls_restr_ncs.pdbx_auth_asym_id 
_refine_ls_restr_ncs.pdbx_number 
_refine_ls_restr_ncs.pdbx_rms 
_refine_ls_restr_ncs.pdbx_weight 
_refine_ls_restr_ncs.pdbx_ens_id 
'X-RAY DIFFRACTION' 1 ? ? 0.09611 ? 0.05008 1 'Local ncs' ? BBB ? ? ? 1 
'X-RAY DIFFRACTION' 2 ? ? 0.09611 ? 0.05008 2 'Local ncs' ? CCC ? ? ? 1 
'X-RAY DIFFRACTION' 3 ? ? 0.08469 ? 0.05008 3 'Local ncs' ? BBB ? ? ? 2 
'X-RAY DIFFRACTION' 4 ? ? 0.08469 ? 0.05008 4 'Local ncs' ? AAA ? ? ? 2 
'X-RAY DIFFRACTION' 5 ? ? 0.08976 ? 0.05008 5 'Local ncs' ? CCC ? ? ? 3 
'X-RAY DIFFRACTION' 6 ? ? 0.08976 ? 0.05008 6 'Local ncs' ? AAA ? ? ? 3 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.170 2.226 . . 251 4533 99.4388  . . . . 0.367 . . . . . . . . . . . 0.373 
'X-RAY DIFFRACTION' 2.226 2.287 . . 221 4397 99.6978  . . . . 0.337 . . . . . . . . . . . 0.346 
'X-RAY DIFFRACTION' 2.287 2.354 . . 223 4322 99.9780  . . . . 0.312 . . . . . . . . . . . 0.309 
'X-RAY DIFFRACTION' 2.354 2.426 . . 220 4203 99.9774  . . . . 0.284 . . . . . . . . . . . 0.315 
'X-RAY DIFFRACTION' 2.426 2.506 . . 225 4055 99.9766  . . . . 0.267 . . . . . . . . . . . 0.283 
'X-RAY DIFFRACTION' 2.506 2.593 . . 213 3947 99.7841  . . . . 0.249 . . . . . . . . . . . 0.284 
'X-RAY DIFFRACTION' 2.593 2.691 . . 214 3760 99.9246  . . . . 0.240 . . . . . . . . . . . 0.300 
'X-RAY DIFFRACTION' 2.691 2.801 . . 201 3656 99.9482  . . . . 0.231 . . . . . . . . . . . 0.237 
'X-RAY DIFFRACTION' 2.801 2.925 . . 204 3455 99.9727  . . . . 0.235 . . . . . . . . . . . 0.282 
'X-RAY DIFFRACTION' 2.925 3.068 . . 200 3353 100.0000 . . . . 0.228 . . . . . . . . . . . 0.277 
'X-RAY DIFFRACTION' 3.068 3.234 . . 141 3224 99.9703  . . . . 0.246 . . . . . . . . . . . 0.313 
'X-RAY DIFFRACTION' 3.234 3.430 . . 158 3011 99.9054  . . . . 0.233 . . . . . . . . . . . 0.255 
'X-RAY DIFFRACTION' 3.430 3.666 . . 157 2830 99.5003  . . . . 0.215 . . . . . . . . . . . 0.232 
'X-RAY DIFFRACTION' 3.666 3.960 . . 124 2630 99.6382  . . . . 0.186 . . . . . . . . . . . 0.235 
'X-RAY DIFFRACTION' 3.960 4.337 . . 131 2446 99.3830  . . . . 0.171 . . . . . . . . . . . 0.171 
'X-RAY DIFFRACTION' 4.337 4.848 . . 119 2188 99.2685  . . . . 0.164 . . . . . . . . . . . 0.203 
'X-RAY DIFFRACTION' 4.848 5.595 . . 77  1963 99.2218  . . . . 0.187 . . . . . . . . . . . 0.223 
'X-RAY DIFFRACTION' 5.595 6.848 . . 86  1652 99.5418  . . . . 0.193 . . . . . . . . . . . 0.210 
'X-RAY DIFFRACTION' 6.848 9.661 . . 85  1278 99.8535  . . . . 0.153 . . . . . . . . . . . 0.165 
'X-RAY DIFFRACTION' 9.661 49.49 . . 28  724  97.5357  . . . . 0.177 . . . . . . . . . . . 0.181 
# 
loop_
_struct_ncs_dom.id 
_struct_ncs_dom.pdbx_ens_id 
_struct_ncs_dom.details 
1 1 BBB 
2 1 CCC 
3 2 BBB 
4 2 AAA 
5 3 CCC 
6 3 AAA 
# 
loop_
_struct_ncs_dom_lim.pdbx_ens_id 
_struct_ncs_dom_lim.dom_id 
_struct_ncs_dom_lim.pdbx_component_id 
_struct_ncs_dom_lim.beg_label_asym_id 
_struct_ncs_dom_lim.beg_label_comp_id 
_struct_ncs_dom_lim.beg_label_seq_id 
_struct_ncs_dom_lim.beg_label_alt_id 
_struct_ncs_dom_lim.end_label_asym_id 
_struct_ncs_dom_lim.end_label_comp_id 
_struct_ncs_dom_lim.end_label_seq_id 
_struct_ncs_dom_lim.end_label_alt_id 
_struct_ncs_dom_lim.beg_auth_asym_id 
_struct_ncs_dom_lim.beg_auth_comp_id 
_struct_ncs_dom_lim.beg_auth_seq_id 
_struct_ncs_dom_lim.end_auth_asym_id 
_struct_ncs_dom_lim.end_auth_comp_id 
_struct_ncs_dom_lim.end_auth_seq_id 
_struct_ncs_dom_lim.pdbx_refine_code 
_struct_ncs_dom_lim.selection_details 
1 1 1 A GLY 1 . A GLN 217 . BBB GLY 0 BBB GLN 216 ? ? 
1 2 2 B GLY 1 . B GLN 217 . CCC GLY 0 CCC GLN 216 ? ? 
2 3 1 A GLY 1 . A GLN 215 . BBB GLY 0 BBB GLN 214 ? ? 
2 4 2 C GLY 1 . C GLN 215 . AAA GLY 0 AAA GLN 214 ? ? 
3 5 1 B GLY 1 . B GLN 215 . CCC GLY 0 CCC GLN 214 ? ? 
3 6 2 C GLY 1 . C GLN 215 . AAA GLY 0 AAA GLN 214 ? ? 
# 
loop_
_struct_ncs_ens.id 
_struct_ncs_ens.details 
1 'Local NCS retraints between domains:       1       2' 
2 'Local NCS retraints between domains:       3       4' 
3 'Local NCS retraints between domains:       5       6' 
# 
_struct.entry_id                     8RKY 
_struct.title                        
'X-ray structure of the drug binding domain of AlbA in complex with the KMR-14-14 compound of the pyrrolobenzodiazepines class' 
_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        8RKY 
_struct_keywords.text            'DRUG BINDING, BACTERIAL RESISTANCE, PYRROLOBENZODIAZEPINES, DNA BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'DNA BINDING PROTEIN' 
# 
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 1 ? 
C N N 1 ? 
D N N 2 ? 
E N N 3 ? 
F N N 4 ? 
G N N 2 ? 
H N N 3 ? 
I N N 2 ? 
J N N 2 ? 
K N N 4 ? 
L N N 4 ? 
M N N 5 ? 
N N N 5 ? 
O N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q8KRS7_KLEOX 
_struct_ref.pdbx_db_accession          Q8KRS7 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MYDRWFSQQELQVLPFAEQDEQRNQTWLELVGEAQQLMGERCPADEPRAIALATRWMEQLEQDTAGRPEFLTRLNEMHAA
EPQMREQTGVTPEMIDFITRAFAESKLAIWARYLNAEELAFTRQHYFDRLMEWPALVADLHRACREKRDPASPEGQQLAQ
RWLALFQSYAGKDAQTQQKFRYAMEQEPHLMKGTWMTSEVLSWLQQAIGVMMRQAQGPAAE
;
_struct_ref.pdbx_align_begin           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 8RKY BBB 2 ? 222 ? Q8KRS7 1 ? 221 ? 1 221 
2 1 8RKY CCC 2 ? 222 ? Q8KRS7 1 ? 221 ? 1 221 
3 1 8RKY AAA 2 ? 222 ? Q8KRS7 1 ? 221 ? 1 221 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 8RKY GLY BBB 1   ? UNP Q8KRS7 ? ? 'expression tag' 0   1 
1 8RKY GLY BBB 223 ? UNP Q8KRS7 ? ? 'expression tag' 222 2 
1 8RKY SER BBB 224 ? UNP Q8KRS7 ? ? 'expression tag' 223 3 
2 8RKY GLY CCC 1   ? UNP Q8KRS7 ? ? 'expression tag' 0   4 
2 8RKY GLY CCC 223 ? UNP Q8KRS7 ? ? 'expression tag' 222 5 
2 8RKY SER CCC 224 ? UNP Q8KRS7 ? ? 'expression tag' 223 6 
3 8RKY GLY AAA 1   ? UNP Q8KRS7 ? ? 'expression tag' 0   7 
3 8RKY GLY AAA 223 ? UNP Q8KRS7 ? ? 'expression tag' 222 8 
3 8RKY SER AAA 224 ? UNP Q8KRS7 ? ? 'expression tag' 223 9 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_defined_assembly ? monomeric 1 
2 author_defined_assembly ? monomeric 1 
3 author_defined_assembly ? monomeric 1 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,D,E,F,M   
2 1 B,G,H,N     
3 1 C,I,J,K,L,O 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1  AA1 GLY A 1   ? PHE A 7   ? GLY BBB 0   PHE BBB 6   1 ? 7  
HELX_P HELX_P2  AA2 SER A 8   ? LEU A 15  ? SER BBB 7   LEU BBB 14  1 ? 8  
HELX_P HELX_P3  AA3 PRO A 16  ? GLU A 19  ? PRO BBB 15  GLU BBB 18  5 ? 4  
HELX_P HELX_P4  AA4 ASP A 21  ? GLU A 41  ? ASP BBB 20  GLU BBB 40  1 ? 21 
HELX_P HELX_P5  AA5 GLU A 47  ? THR A 65  ? GLU BBB 46  THR BBB 64  1 ? 19 
HELX_P HELX_P6  AA6 ARG A 68  ? GLU A 82  ? ARG BBB 67  GLU BBB 81  1 ? 15 
HELX_P HELX_P7  AA7 GLU A 82  ? GLY A 90  ? GLU BBB 81  GLY BBB 89  1 ? 9  
HELX_P HELX_P8  AA8 THR A 92  ? ALA A 112 ? THR BBB 91  ALA BBB 111 1 ? 21 
HELX_P HELX_P9  AA9 ASN A 116 ? TYR A 127 ? ASN BBB 115 TYR BBB 126 1 ? 12 
HELX_P HELX_P10 AB1 ARG A 130 ? MET A 132 ? ARG BBB 129 MET BBB 131 5 ? 3  
HELX_P HELX_P11 AB2 GLU A 133 ? GLU A 147 ? GLU BBB 132 GLU BBB 146 1 ? 15 
HELX_P HELX_P12 AB3 SER A 153 ? GLY A 172 ? SER BBB 152 GLY BBB 171 1 ? 20 
HELX_P HELX_P13 AB4 ASP A 174 ? GLU A 188 ? ASP BBB 173 GLU BBB 187 1 ? 15 
HELX_P HELX_P14 AB5 PRO A 189 ? LYS A 193 ? PRO BBB 188 LYS BBB 192 5 ? 5  
HELX_P HELX_P15 AB6 THR A 198 ? GLN A 215 ? THR BBB 197 GLN BBB 214 1 ? 18 
HELX_P HELX_P16 AB7 MET B 2   ? PHE B 7   ? MET CCC 1   PHE CCC 6   1 ? 6  
HELX_P HELX_P17 AB8 SER B 8   ? LEU B 15  ? SER CCC 7   LEU CCC 14  1 ? 8  
HELX_P HELX_P18 AB9 PRO B 16  ? GLU B 19  ? PRO CCC 15  GLU CCC 18  5 ? 4  
HELX_P HELX_P19 AC1 ASP B 21  ? GLU B 41  ? ASP CCC 20  GLU CCC 40  1 ? 21 
HELX_P HELX_P20 AC2 GLU B 47  ? THR B 65  ? GLU CCC 46  THR CCC 64  1 ? 19 
HELX_P HELX_P21 AC3 ARG B 68  ? GLU B 82  ? ARG CCC 67  GLU CCC 81  1 ? 15 
HELX_P HELX_P22 AC4 GLU B 82  ? GLY B 90  ? GLU CCC 81  GLY CCC 89  1 ? 9  
HELX_P HELX_P23 AC5 THR B 92  ? ALA B 112 ? THR CCC 91  ALA CCC 111 1 ? 21 
HELX_P HELX_P24 AC6 ASN B 116 ? TYR B 127 ? ASN CCC 115 TYR CCC 126 1 ? 12 
HELX_P HELX_P25 AC7 ARG B 130 ? MET B 132 ? ARG CCC 129 MET CCC 131 5 ? 3  
HELX_P HELX_P26 AC8 GLU B 133 ? GLU B 147 ? GLU CCC 132 GLU CCC 146 1 ? 15 
HELX_P HELX_P27 AC9 SER B 153 ? GLY B 172 ? SER CCC 152 GLY CCC 171 1 ? 20 
HELX_P HELX_P28 AD1 ASP B 174 ? GLU B 188 ? ASP CCC 173 GLU CCC 187 1 ? 15 
HELX_P HELX_P29 AD2 PRO B 189 ? LYS B 193 ? PRO CCC 188 LYS CCC 192 5 ? 5  
HELX_P HELX_P30 AD3 THR B 198 ? GLN B 215 ? THR CCC 197 GLN CCC 214 1 ? 18 
HELX_P HELX_P31 AD4 MET C 2   ? PHE C 7   ? MET AAA 1   PHE AAA 6   1 ? 6  
HELX_P HELX_P32 AD5 SER C 8   ? LEU C 15  ? SER AAA 7   LEU AAA 14  1 ? 8  
HELX_P HELX_P33 AD6 PRO C 16  ? GLU C 19  ? PRO AAA 15  GLU AAA 18  5 ? 4  
HELX_P HELX_P34 AD7 ASP C 21  ? GLU C 41  ? ASP AAA 20  GLU AAA 40  1 ? 21 
HELX_P HELX_P35 AD8 GLU C 47  ? THR C 65  ? GLU AAA 46  THR AAA 64  1 ? 19 
HELX_P HELX_P36 AD9 ARG C 68  ? GLU C 82  ? ARG AAA 67  GLU AAA 81  1 ? 15 
HELX_P HELX_P37 AE1 GLU C 82  ? GLY C 90  ? GLU AAA 81  GLY AAA 89  1 ? 9  
HELX_P HELX_P38 AE2 THR C 92  ? ALA C 112 ? THR AAA 91  ALA AAA 111 1 ? 21 
HELX_P HELX_P39 AE3 ASN C 116 ? TYR C 127 ? ASN AAA 115 TYR AAA 126 1 ? 12 
HELX_P HELX_P40 AE4 ARG C 130 ? MET C 132 ? ARG AAA 129 MET AAA 131 5 ? 3  
HELX_P HELX_P41 AE5 GLU C 133 ? GLU C 147 ? GLU AAA 132 GLU AAA 146 1 ? 15 
HELX_P HELX_P42 AE6 SER C 153 ? ALA C 171 ? SER AAA 152 ALA AAA 170 1 ? 19 
HELX_P HELX_P43 AE7 ASP C 174 ? GLU C 188 ? ASP AAA 173 GLU AAA 187 1 ? 15 
HELX_P HELX_P44 AE8 PRO C 189 ? LYS C 193 ? PRO AAA 188 LYS AAA 192 5 ? 5  
HELX_P HELX_P45 AE9 THR C 198 ? GLN C 215 ? THR AAA 197 GLN AAA 214 1 ? 18 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_pdbx_entry_details.entry_id                   8RKY 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 NE2 BBB HIS 78  ? B O  BBB VAL 90  ? ? 1.89 
2 1 O   AAA LEU 190 ? ? O3 AAA DTV 304 ? ? 2.09 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASP BBB 20  ? ? -166.21 101.82 
2 1 LYS BBB 147 ? ? 31.47   47.23  
3 1 ALA BBB 215 ? ? 97.89   22.50  
4 1 LYS CCC 147 ? ? 31.62   47.28  
5 1 LYS AAA 147 ? ? 32.17   46.96  
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1  'X-RAY DIFFRACTION' ? refined 3.0263  -7.7943  -18.6245 0.6866 ? 0.0582  ? -0.0232 ? 0.4113 ? 0.2676  ? 0.3243 ? 8.0306  ? 
-4.1962  ? 2.8460  ? 15.8150 ? -12.8778 ? 10.5545 ? 0.8294  ? 1.1966  ? 0.7045  ? -1.8970 ? -0.1276 ? 0.7791  ? 1.4236  ? 0.0292  
? -0.7018 ? 
2  'X-RAY DIFFRACTION' ? refined 12.3943 -9.8803  -18.9452 0.2147 ? 0.0960  ? 0.0330  ? 0.5359 ? 0.1592  ? 0.3992 ? 2.9489  ? 
-2.0034  ? -6.4878 ? 13.3906 ? 2.1597   ? 14.7357 ? -0.1166 ? 0.2822  ? -0.0599 ? -1.2770 ? 0.0960  ? 0.7993  ? 0.5463  ? -0.5303 
? 0.0206  ? 
3  'X-RAY DIFFRACTION' ? refined 19.0425 -24.3781 -12.5666 0.0482 ? 0.0356  ? 0.0348  ? 0.1783 ? -0.0382 ? 0.1466 ? 1.7761  ? 
0.4981   ? -0.7793 ? 8.0078  ? -4.9190  ? 6.7257  ? -0.0820 ? 0.1507  ? 0.0813  ? -0.1894 ? -0.0858 ? -0.0931 ? 0.2356  ? -0.0457 
? 0.1678  ? 
4  'X-RAY DIFFRACTION' ? refined 22.5560 -25.1665 -0.3245  0.0307 ? 0.0444  ? -0.0063 ? 0.1790 ? 0.0310  ? 0.1813 ? 3.0658  ? 
-0.7714  ? 1.0665  ? 3.4944  ? 0.9931   ? 8.7203  ? -0.0407 ? -0.0744 ? -0.1806 ? 0.1797  ? -0.1775 ? -0.3956 ? 0.3675  ? 0.3760  
? 0.2182  ? 
5  'X-RAY DIFFRACTION' ? refined 14.4174 -10.1143 -8.5078  0.2131 ? 0.0578  ? 0.0210  ? 0.1265 ? 0.0706  ? 0.2542 ? 12.2399 ? 
-6.6471  ? -1.2225 ? 7.5407  ? -2.2557  ? 7.0952  ? -0.0529 ? 0.1772  ? 1.7007  ? 0.3484  ? 0.2358  ? -0.8384 ? -1.0228 ? -0.0343 
? -0.1829 ? 
6  'X-RAY DIFFRACTION' ? refined 3.6387  -16.5696 -11.7878 0.1723 ? 0.1923  ? -0.0752 ? 0.3216 ? 0.0150  ? 0.1539 ? 6.4088  ? 
5.1026   ? 0.0847  ? 11.1398 ? 5.6335   ? 4.4741  ? -0.0697 ? 0.6195  ? 0.4425  ? -0.2592 ? 0.1879  ? 0.2634  ? -0.0355 ? -0.0865 
? -0.1182 ? 
7  'X-RAY DIFFRACTION' ? refined 7.7293  -24.1503 -14.1662 0.1487 ? 0.0153  ? -0.0164 ? 0.3600 ? -0.0609 ? 0.2077 ? 5.5958  ? 
0.6556   ? 6.5214  ? 3.4163  ? 1.8335   ? 8.4211  ? 0.1129  ? -0.1167 ? 0.0562  ? -0.6119 ? -0.4207 ? 0.3865  ? 0.0076  ? -0.5729 
? 0.3078  ? 
8  'X-RAY DIFFRACTION' ? refined 10.8856 -25.4912 -4.2098  0.0798 ? 0.0093  ? -0.0069 ? 0.3070 ? -0.0399 ? 0.2146 ? 4.2852  ? 
1.7664   ? 7.5232  ? 1.5399  ? 4.3348   ? 15.0960 ? 0.5096  ? -0.0248 ? -0.2843 ? 0.1633  ? -0.3447 ? 0.1140  ? 0.8247  ? -0.5991 
? -0.1649 ? 
9  'X-RAY DIFFRACTION' ? refined 19.6242 -18.0097 9.4977   0.0184 ? 0.0212  ? 0.0005  ? 0.0400 ? -0.0017 ? 0.0113 ? 2.4829  ? 
0.9112   ? 4.7539  ? 2.2133  ? 1.6400   ? 11.1347 ? -0.0388 ? 0.1066  ? 0.0174  ? 0.0149  ? -0.0278 ? 0.0525  ? -0.2577 ? -0.0454 
? 0.0666  ? 
10 'X-RAY DIFFRACTION' ? refined 10.5405 -17.1073 12.1832  0.1621 ? -0.1051 ? -0.0146 ? 0.1094 ? 0.0204  ? 0.1965 ? 9.8298  ? 
-2.0767  ? 3.2822  ? 5.3518  ? -2.6834  ? 2.1342  ? 0.3061  ? -0.0132 ? 0.0172  ? -0.3793 ? -0.1408 ? 0.3022  ? 0.3989  ? -0.1020 
? -0.1653 ? 
11 'X-RAY DIFFRACTION' ? refined 8.0091  -3.9785  1.8387   0.5829 ? -0.0753 ? 0.0631  ? 0.1602 ? 0.0910  ? 0.4966 ? 5.8129  ? 
-5.2263  ? 0.5005  ? 13.3902 ? -11.7541 ? 14.8669 ? 0.1640  ? 0.0929  ? 0.3237  ? -0.2861 ? 0.4769  ? 0.1575  ? -0.0743 ? -0.7016 
? -0.6409 ? 
12 'X-RAY DIFFRACTION' ? refined 9.1473  6.1164   -3.3989  0.5433 ? -0.0186 ? 0.0033  ? 0.3910 ? 0.0790  ? 0.5772 ? 11.2493 ? 
-7.6058  ? -5.7555 ? 5.1472  ? 3.9898   ? 5.9577  ? 0.0095  ? 0.2203  ? -0.6561 ? -0.0383 ? -0.1387 ? 0.4155  ? -0.7289 ? -0.1150 
? 0.1291  ? 
13 'X-RAY DIFFRACTION' ? refined 10.8755 11.7758  2.9276   0.4891 ? 0.1435  ? -0.0771 ? 0.3885 ? -0.1102 ? 0.5276 ? 6.6124  ? 
2.1932   ? -2.2074 ? 5.8272  ? -0.6760  ? 0.7681  ? -0.2765 ? 0.4768  ? -0.0198 ? -0.0151 ? 0.1784  ? -0.2052 ? 0.0050  ? -0.2241 
? 0.0981  ? 
14 'X-RAY DIFFRACTION' ? refined 5.5901  7.3859   8.5480   0.3494 ? 0.0631  ? -0.0240 ? 0.2142 ? 0.0255  ? 0.4852 ? 0.3041  ? 
-0.1108  ? -0.5684 ? 0.0490  ? 0.2305   ? 1.1293  ? -0.0551 ? 0.1754  ? -0.0121 ? -0.0180 ? -0.0772 ? 0.0508  ? -0.0214 ? -0.3618 
? 0.1324  ? 
15 'X-RAY DIFFRACTION' ? refined 9.6388  -5.7987  15.0256  0.0830 ? 0.0156  ? 0.1268  ? 0.0559 ? -0.0188 ? 0.4168 ? 8.9614  ? 
-3.4082  ? 3.2122  ? 8.3641  ? -1.3227  ? 7.6188  ? -0.0484 ? -0.6548 ? 0.5319  ? 0.4343  ? 0.1620  ? 0.9426  ? -0.5982 ? -0.3636 
? -0.1136 ? 
16 'X-RAY DIFFRACTION' ? refined 22.3227 -6.2731  15.1506  0.0676 ? -0.0407 ? 0.0173  ? 0.0299 ? -0.0306 ? 0.1345 ? 9.6507  ? 
1.3016   ? -1.9985 ? 6.3338  ? 3.5808   ? 8.0449  ? -0.0472 ? -0.1864 ? 0.6580  ? -0.2939 ? 0.1763  ? 0.1239  ? -0.6766 ? 0.4535  
? -0.1291 ? 
17 'X-RAY DIFFRACTION' ? refined 23.6846 -9.9396  2.7974   0.2961 ? -0.0379 ? 0.0914  ? 0.2024 ? 0.0425  ? 0.2312 ? 12.3565 ? 
0.6734   ? 10.5507 ? 3.1034  ? -1.2271  ? 10.0771 ? -0.1472 ? 0.4682  ? 0.1873  ? -0.4421 ? 0.1101  ? 0.1513  ? 0.0896  ? 0.3481  
? 0.0371  ? 
18 'X-RAY DIFFRACTION' ? refined 16.6631 -0.6385  1.7207   0.3481 ? -0.0677 ? 0.1050  ? 0.3296 ? 0.0194  ? 0.5123 ? 0.0092  ? 
-0.2494  ? -0.1757 ? 11.0482 ? 7.7009   ? 5.3696  ? 0.0192  ? 0.0236  ? 0.0236  ? -0.0684 ? -0.0060 ? -0.0230 ? -0.0639 ? -0.0169 
? -0.0133 ? 
19 'X-RAY DIFFRACTION' ? refined 14.4684 5.1204   13.0684  0.2628 ? -0.0073 ? 0.0328  ? 0.2259 ? -0.0098 ? 0.2782 ? 9.7076  ? 
-1.1157  ? -4.5111 ? 6.1923  ? -0.6350  ? 2.8878  ? 0.1364  ? -0.2953 ? 0.0867  ? -0.0892 ? -0.1043 ? -0.1593 ? -0.0750 ? 0.2287  
? -0.0321 ? 
20 'X-RAY DIFFRACTION' ? refined 12.2136 9.5012   19.2774  0.3742 ? -0.0615 ? -0.0203 ? 0.3785 ? -0.0069 ? 0.3611 ? 14.7284 ? 
-0.3251  ? -4.0006 ? 8.9793  ? -6.6406  ? 6.1441  ? 0.0171  ? 0.2503  ? -0.1807 ? -0.7180 ? -0.1586 ? -0.0396 ? 0.5154  ? 0.0591  
? 0.1415  ? 
21 'X-RAY DIFFRACTION' ? refined 44.8355 -47.4118 -7.4439  0.2506 ? 0.0765  ? 0.0326  ? 0.2130 ? 0.0062  ? 0.0984 ? 4.6778  ? 
-0.4847  ? 2.0099  ? 6.6133  ? 4.0473   ? 5.0781  ? -0.0563 ? -0.3123 ? -0.0844 ? 0.3775  ? 0.0838  ? -0.1531 ? 0.0953  ? -0.2188 
? -0.0275 ? 
22 'X-RAY DIFFRACTION' ? refined 37.7594 -41.9094 -3.3491  0.4931 ? -0.0312 ? -0.0547 ? 0.4818 ? 0.0743  ? 0.2180 ? 1.7380  ? 
-1.1298  ? -2.2881 ? 2.4806  ? -0.5461  ? 5.4377  ? -0.1461 ? -0.1079 ? -0.1027 ? 0.2748  ? -0.0604 ? -0.0304 ? 0.0225  ? 0.1367  
? 0.2065  ? 
23 'X-RAY DIFFRACTION' ? refined 27.9857 -39.8253 -3.0735  0.4602 ? -0.0735 ? 0.0664  ? 0.7404 ? 0.1226  ? 0.2727 ? 1.6315  ? 
-3.1383  ? 5.1521  ? 6.2981  ? -10.4368 ? 17.3455 ? 0.1981  ? -0.2674 ? -0.1160 ? -0.2692 ? 0.1023  ? 0.1749  ? 0.4529  ? 0.0051  
? -0.3004 ? 
24 'X-RAY DIFFRACTION' ? refined 18.4150 -40.9331 -16.2776 0.2948 ? -0.0644 ? 0.0459  ? 0.1802 ? 0.0523  ? 0.2593 ? 5.6835  ? 
1.0774   ? 4.6793  ? 0.8596  ? 2.8785   ? 10.9220 ? -0.1498 ? 0.0475  ? -0.2212 ? -0.0192 ? -0.0043 ? 0.1611  ? 0.1934  ? -0.3387 
? 0.1541  ? 
25 'X-RAY DIFFRACTION' ? refined 22.1551 -32.4180 -19.2451 0.1451 ? -0.0150 ? 0.0858  ? 0.0991 ? 0.0009  ? 0.1279 ? 10.3356 ? 
-3.2192  ? 5.0636  ? 6.6279  ? -1.7518  ? 9.5499  ? -0.3611 ? 0.0294  ? 0.1738  ? 0.0133  ? -0.0090 ? 0.4233  ? 0.4358  ? -0.4943 
? 0.3701  ? 
26 'X-RAY DIFFRACTION' ? refined 37.2379 -34.9140 -10.0899 0.1772 ? 0.0620  ? 0.0204  ? 0.1475 ? -0.0095 ? 0.1302 ? 17.8589 ? 
1.6384   ? -0.8402 ? 4.5963  ? -0.9545  ? 4.9884  ? -0.0834 ? -0.4273 ? 0.1850  ? 0.1276  ? 0.0247  ? -0.1745 ? -0.1567 ? 0.2146  
? 0.0586  ? 
27 'X-RAY DIFFRACTION' ? refined 39.7348 -44.0351 -16.2323 0.1742 ? 0.0772  ? 0.0604  ? 0.1474 ? -0.0093 ? 0.1272 ? 3.2974  ? 
2.9280   ? 1.2755  ? 8.4922  ? 1.2286   ? 3.9386  ? 0.0156  ? -0.1033 ? -0.0580 ? 0.3379  ? -0.0695 ? -0.0177 ? -0.1949 ? 0.3185  
? 0.0539  ? 
28 'X-RAY DIFFRACTION' ? refined 31.3070 -52.1636 -12.4918 0.2677 ? 0.0399  ? 0.0567  ? 0.2692 ? 0.0331  ? 0.3582 ? 2.2015  ? 
-2.2740  ? -2.5612 ? 7.6989  ? 3.6468   ? 3.2219  ? 0.0081  ? 0.0105  ? -0.2694 ? 0.3789  ? -0.1212 ? -0.1763 ? -0.0123 ? -0.0682 
? 0.1131  ? 
29 'X-RAY DIFFRACTION' ? refined 27.6414 -30.3443 -26.6167 0.2095 ? -0.0057 ? 0.1678  ? 0.0644 ? -0.0313 ? 0.1771 ? 0.3698  ? 
0.7544   ? 0.1671  ? 10.1434 ? -8.0902  ? 10.3207 ? 0.0541  ? 0.0778  ? -0.0264 ? 0.1610  ? -0.0400 ? 0.4850  ? 0.6056  ? 0.1494  
? -0.0141 ? 
30 'X-RAY DIFFRACTION' ? refined 31.5794 -28.7330 -36.4733 0.0808 ? -0.0160 ? 0.0037  ? 0.1752 ? -0.0526 ? 0.0832 ? 2.3380  ? 
-0.9105  ? 2.1601  ? 7.0828  ? -1.3346  ? 11.9074 ? 0.0954  ? 0.2047  ? -0.1448 ? -0.6411 ? -0.0730 ? -0.2612 ? 0.0804  ? -0.1754 
? -0.0224 ? 
31 'X-RAY DIFFRACTION' ? refined 42.1649 -32.8537 -25.3320 0.2374 ? -0.0219 ? -0.0402 ? 0.1080 ? 0.0089  ? 0.2060 ? 8.3690  ? 
-1.0340  ? 7.6416  ? 2.3214  ? -0.0028  ? 12.7686 ? 0.4490  ? -0.2860 ? -0.4048 ? 0.5386  ? -0.1758 ? -0.1320 ? 0.8126  ? -0.0026 
? -0.2733 ? 
32 'X-RAY DIFFRACTION' ? refined 53.6305 -27.3685 -12.8246 0.2885 ? -0.0189 ? -0.0242 ? 0.3101 ? -0.0376 ? 0.2913 ? 3.5753  ? 
0.4817   ? -2.2824 ? 14.8654 ? -1.0423  ? 7.1611  ? 0.0221  ? -0.2604 ? 0.1593  ? 0.2019  ? 0.0811  ? -0.0468 ? 0.1449  ? -0.0286 
? -0.1033 ? 
33 'X-RAY DIFFRACTION' ? refined 58.5734 -22.0083 -20.4149 0.2557 ? -0.0012 ? 0.0117  ? 0.3651 ? -0.0150 ? 0.3359 ? 6.7311  ? 
0.8424   ? -1.9200 ? 0.3313  ? 0.7869   ? 5.4370  ? -0.3182 ? 0.0452  ? -0.1423 ? 0.0262  ? 0.1005  ? 0.0466  ? 0.2446  ? 0.6029  
? 0.2176  ? 
34 'X-RAY DIFFRACTION' ? refined 52.8568 -25.9118 -26.5142 0.1632 ? 0.0124  ? -0.0478 ? 0.2936 ? 0.0039  ? 0.3705 ? 5.8016  ? 
3.0444   ? 3.7199  ? 1.7628  ? 2.0698   ? 2.4865  ? -0.0179 ? 0.1648  ? -0.0403 ? 0.0545  ? 0.1692  ? -0.2437 ? 0.0368  ? 0.2294  
? -0.1513 ? 
35 'X-RAY DIFFRACTION' ? refined 42.4739 -25.7099 -33.5456 0.0455 ? 0.0668  ? 0.0259  ? 0.1296 ? -0.0045 ? 0.1560 ? 6.9114  ? 
0.0102   ? 7.7937  ? 7.0182  ? -1.0204  ? 8.9470  ? 0.0736  ? 0.2958  ? -0.2266 ? 0.0804  ? 0.0819  ? -0.6535 ? 0.0519  ? 0.2947  
? -0.1555 ? 
36 'X-RAY DIFFRACTION' ? refined 38.1190 -15.4124 -32.0697 0.0920 ? -0.0729 ? -0.0017 ? 0.1396 ? -0.0228 ? 0.1397 ? 4.9377  ? 
-0.7356  ? -3.6760 ? 9.6284  ? -1.1434  ? 3.0444  ? 0.0939  ? -0.1100 ? -0.1284 ? 0.0219  ? -0.2051 ? -0.1781 ? -0.0956 ? 0.1457  
? 0.1113  ? 
37 'X-RAY DIFFRACTION' ? refined 33.3711 -18.1035 -20.7952 0.2104 ? 0.0054  ? -0.0027 ? 0.1659 ? -0.0341 ? 0.1898 ? 0.9846  ? 
2.5827   ? -0.4630 ? 11.1125 ? -7.7519  ? 10.1782 ? 0.1648  ? -0.0180 ? -0.1528 ? 0.4480  ? -0.1101 ? -0.3741 ? -0.0273 ? 0.1882  
? -0.0547 ? 
38 'X-RAY DIFFRACTION' ? refined 37.1383 -27.6143 -16.2176 0.3537 ? 0.0510  ? -0.0306 ? 0.2309 ? 0.0755  ? 0.3053 ? 3.3425  ? 
-2.6927  ? -4.8701 ? 8.2969  ? 1.0086   ? 8.5487  ? 0.3558  ? -0.2321 ? 0.6884  ? -0.2626 ? 0.5729  ? -0.5011 ? -0.5581 ? 0.2520  
? -0.9286 ? 
39 'X-RAY DIFFRACTION' ? refined 48.8076 -18.3567 -22.1736 0.2005 ? -0.0295 ? -0.0225 ? 0.2217 ? -0.0016 ? 0.2821 ? 3.1721  ? 
-0.0583  ? -1.2982 ? 2.7525  ? -1.1005  ? 7.0415  ? -0.0828 ? -0.0494 ? 0.0355  ? 0.0348  ? -0.1530 ? 0.0708  ? -0.0664 ? 0.2409  
? 0.2358  ? 
40 'X-RAY DIFFRACTION' ? refined 55.4003 -13.3114 -33.4911 0.4044 ? -0.0014 ? -0.0132 ? 0.3542 ? 0.0464  ? 0.4279 ? 29.7895 ? 
-14.5703 ? 0.8670  ? 14.2856 ? 0.3041   ? 0.1078  ? -0.3430 ? -0.6951 ? -0.5782 ? 0.3230  ? 0.4013  ? 0.4322  ? 0.0054  ? -0.0337 
? -0.0582 ? 
41 'X-RAY DIFFRACTION' ? refined 49.2999 26.3082  -14.5070 0.3666 ? 0.0113  ? -0.0566 ? 0.2440 ? -0.0424 ? 0.3041 ? 4.3626  ? 
0.1605   ? -2.1202 ? 0.0130  ? -0.1472  ? 2.7971  ? -0.2029 ? -0.3012 ? 0.1302  ? 0.0261  ? 0.0062  ? -0.0257 ? 0.1003  ? -0.1455 
? 0.1967  ? 
42 'X-RAY DIFFRACTION' ? refined 39.2800 25.6134  -14.8837 0.2710 ? -0.0066 ? 0.0252  ? 0.2696 ? -0.0315 ? 0.2510 ? 2.9875  ? 
2.9468   ? -2.0653 ? 5.5513  ? -0.8905  ? 6.0852  ? 0.0187  ? -0.1979 ? 0.2971  ? 0.1229  ? 0.2044  ? 0.1421  ? 0.2300  ? -0.0901 
? -0.2231 ? 
43 'X-RAY DIFFRACTION' ? refined 39.2745 15.4496  -4.9446  0.3033 ? 0.0074  ? 0.0302  ? 0.3246 ? 0.0006  ? 0.2809 ? 2.7268  ? 
-0.7343  ? 0.3845  ? 9.3501  ? -4.1867  ? 3.5624  ? -0.0634 ? -0.0145 ? 0.0575  ? -0.2786 ? 0.2169  ? 0.3374  ? 0.0404  ? 0.0481  
? -0.1535 ? 
44 'X-RAY DIFFRACTION' ? refined 45.6511 5.6099   -8.3092  0.4578 ? -0.0020 ? -0.0078 ? 0.3657 ? 0.0093  ? 0.0835 ? 14.4800 ? 
-2.3107  ? -3.2702 ? 4.5208  ? 1.8095   ? 11.2973 ? -0.1713 ? -1.0808 ? -0.2021 ? 0.8200  ? 0.1207  ? 0.0962  ? -0.1474 ? -0.1076 
? 0.0506  ? 
45 'X-RAY DIFFRACTION' ? refined 54.9255 -3.4204  -13.5025 0.2955 ? -0.0246 ? -0.0048 ? 0.3508 ? -0.0461 ? 0.3489 ? 0.4769  ? 
0.3281   ? -1.4532 ? 6.6594  ? 1.4530   ? 7.3528  ? -0.1358 ? 0.1223  ? -0.1384 ? 0.2169  ? 0.2446  ? -0.2884 ? 0.2677  ? 0.2207  
? -0.1088 ? 
46 'X-RAY DIFFRACTION' ? refined 48.4003 -7.6082  -19.1861 0.3544 ? 0.0224  ? 0.0358  ? 0.3872 ? -0.0048 ? 0.3010 ? 10.3224 ? 
-5.6149  ? 2.0150  ? 3.2399  ? -1.2274  ? 0.4870  ? 0.0509  ? -0.5018 ? -0.2854 ? -0.1123 ? 0.0226  ? 0.1641  ? 0.0776  ? 0.0767  
? -0.0735 ? 
47 'X-RAY DIFFRACTION' ? refined 41.3389 4.8653   -17.0541 0.2570 ? -0.0260 ? 0.0123  ? 0.2845 ? 0.0231  ? 0.0633 ? 4.3465  ? 
-1.8431  ? -1.8792 ? 9.9128  ? -0.6652  ? 1.1254  ? -0.1747 ? -0.2880 ? -0.0262 ? 0.0157  ? 0.2387  ? 0.3425  ? 0.0438  ? -0.0226 
? -0.0640 ? 
48 'X-RAY DIFFRACTION' ? refined 38.2945 19.3899  -21.6492 0.2831 ? 0.0301  ? 0.0010  ? 0.2488 ? -0.0583 ? 0.2535 ? 8.4355  ? 
4.7050   ? -1.6943 ? 5.7516  ? -3.7889  ? 3.1223  ? 0.1245  ? 0.0172  ? 0.6228  ? 0.2413  ? -0.0543 ? 0.4573  ? -0.3235 ? -0.0604 
? -0.0702 ? 
49 'X-RAY DIFFRACTION' ? refined 51.1255 19.0702  -18.3087 0.3199 ? -0.0051 ? -0.0465 ? 0.1795 ? -0.0403 ? 0.2127 ? 6.8773  ? 
0.6919   ? 3.6615  ? 0.4204  ? -0.0952  ? 2.9733  ? 0.0487  ? -0.4206 ? 0.1797  ? 0.1967  ? -0.0762 ? -0.0435 ? 0.0147  ? -0.0554 
? 0.0276  ? 
50 'X-RAY DIFFRACTION' ? refined 47.1357 2.3895   -23.6628 0.3466 ? -0.1464 ? -0.0258 ? 0.1608 ? -0.0135 ? 0.0703 ? 6.6040  ? 
3.7099   ? 5.8105  ? 9.2307  ? 7.2465   ? 8.5211  ? 0.0401  ? -0.3897 ? -0.0171 ? 0.4763  ? 0.1704  ? -0.4892 ? -0.2710 ? 0.1704  
? -0.2105 ? 
51 'X-RAY DIFFRACTION' ? refined 47.4632 -0.5026  -37.4396 0.1002 ? -0.0571 ? 0.0567  ? 0.1625 ? 0.0103  ? 0.1394 ? 2.7933  ? 
0.5243   ? 0.7948  ? 10.2941 ? 0.8701   ? 1.0977  ? 0.0490  ? 0.0001  ? -0.3152 ? 0.0174  ? -0.0834 ? -0.4355 ? 0.0164  ? 0.1083  
? 0.0344  ? 
52 'X-RAY DIFFRACTION' ? refined 39.7892 16.1692  -31.8028 0.2197 ? -0.0151 ? -0.0756 ? 0.3199 ? -0.1281 ? 0.3363 ? 5.2831  ? 
-4.9733  ? -7.9975 ? 12.8891 ? 4.7159   ? 13.1950 ? -0.0022 ? -0.1124 ? 0.3656  ? 0.2878  ? 0.4719  ? -0.0689 ? -0.1665 ? -0.0872 
? -0.4697 ? 
53 'X-RAY DIFFRACTION' ? refined 26.9710 23.3327  -30.6976 0.3008 ? -0.0141 ? 0.0148  ? 0.5118 ? 0.0173  ? 0.4877 ? 1.0508  ? 
1.1020   ? -1.4345 ? 8.1924  ? 4.4952   ? 8.0246  ? -0.0818 ? 0.3179  ? -0.1987 ? -0.1276 ? 0.0170  ? -0.0194 ? -0.1810 ? -0.3790 
? 0.0648  ? 
54 'X-RAY DIFFRACTION' ? refined 33.4893 17.9948  -41.2671 0.2861 ? 0.0230  ? 0.0020  ? 0.3238 ? 0.0412  ? 0.3502 ? 6.0813  ? 
-3.3513  ? 0.3178  ? 1.9189  ? -0.2698  ? 0.1755  ? 0.1136  ? 0.1640  ? 0.4091  ? 0.0009  ? -0.0259 ? -0.0989 ? -0.1292 ? -0.1443 
? -0.0876 ? 
55 'X-RAY DIFFRACTION' ? refined 36.7345 1.0200   -41.7592 0.1803 ? -0.0524 ? -0.0121 ? 0.1124 ? -0.0068 ? 0.0466 ? 12.1234 ? 
4.9944   ? -0.3610 ? 5.5331  ? -0.1576  ? 2.2293  ? -0.1237 ? 0.5853  ? 0.3197  ? -0.4202 ? 0.0870  ? 0.3217  ? -0.2940 ? -0.1596 
? 0.0366  ? 
56 'X-RAY DIFFRACTION' ? refined 30.7626 -1.5598  -29.8037 0.1357 ? 0.0032  ? 0.0527  ? 0.2329 ? -0.0062 ? 0.2022 ? 1.7162  ? 
2.0525   ? 1.4012  ? 4.8389  ? 0.8877   ? 5.5172  ? -0.0231 ? -0.3793 ? -0.0906 ? 0.2932  ? -0.1680 ? 0.1040  ? -0.0893 ? -0.2025 
? 0.1911  ? 
57 'X-RAY DIFFRACTION' ? refined 34.8286 8.2742   -25.5005 0.2086 ? -0.0515 ? 0.0436  ? 0.2547 ? 0.0001  ? 0.2559 ? 0.8626  ? 
-0.3747  ? 0.2265  ? 7.4349  ? 2.7763   ? 4.0319  ? -0.0381 ? 0.3258  ? -0.1437 ? 0.1266  ? 0.2731  ? 0.4668  ? 0.0454  ? -0.2695 
? -0.2350 ? 
58 'X-RAY DIFFRACTION' ? refined 27.8822 12.3455  -33.2112 0.2149 ? -0.0679 ? -0.0400 ? 0.5488 ? 0.0650  ? 0.4083 ? 6.7921  ? 
-1.5357  ? -4.8684 ? 5.7337  ? -7.0981  ? 16.0818 ? 0.2095  ? 0.5466  ? -0.1363 ? 0.0097  ? -0.2850 ? 0.0411  ? -0.1603 ? -0.3717 
? 0.0755  ? 
59 'X-RAY DIFFRACTION' ? refined 28.3133 12.0810  -43.5644 0.2875 ? 0.0214  ? -0.0484 ? 0.5921 ? 0.0482  ? 0.2763 ? 3.7723  ? 
1.0112   ? 4.7871  ? 11.2611 ? -4.2704  ? 8.8848  ? 0.0092  ? 0.1295  ? -0.0129 ? 0.1822  ? -0.1026 ? -0.2040 ? -0.0986 ? 0.1984  
? 0.0935  ? 
60 'X-RAY DIFFRACTION' ? refined 26.8537 12.2720  -51.9699 0.3424 ? 0.0089  ? 0.0039  ? 0.3518 ? 0.0360  ? 0.3545 ? 9.5363  ? 
5.8500   ? 0.6827  ? 8.7895  ? -3.6234  ? 3.1916  ? 0.4016  ? -0.0266 ? -0.0805 ? -0.0680 ? 0.0633  ? 0.5205  ? 0.2743  ? -0.0730 
? -0.4650 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1  'X-RAY DIFFRACTION' 1  ? ? AAA 0   ? ? ? AAA 13  ? ALL ? 
2  'X-RAY DIFFRACTION' 2  ? ? AAA 14  ? ? ? AAA 19  ? ALL ? 
3  'X-RAY DIFFRACTION' 3  ? ? AAA 20  ? ? ? AAA 41  ? ALL ? 
4  'X-RAY DIFFRACTION' 4  ? ? AAA 42  ? ? ? AAA 55  ? ALL ? 
5  'X-RAY DIFFRACTION' 5  ? ? AAA 56  ? ? ? AAA 70  ? ALL ? 
6  'X-RAY DIFFRACTION' 6  ? ? AAA 71  ? ? ? AAA 84  ? ALL ? 
7  'X-RAY DIFFRACTION' 7  ? ? AAA 85  ? ? ? AAA 92  ? ALL ? 
8  'X-RAY DIFFRACTION' 8  ? ? AAA 93  ? ? ? AAA 97  ? ALL ? 
9  'X-RAY DIFFRACTION' 9  ? ? AAA 98  ? ? ? AAA 117 ? ALL ? 
10 'X-RAY DIFFRACTION' 10 ? ? AAA 118 ? ? ? AAA 131 ? ALL ? 
11 'X-RAY DIFFRACTION' 11 ? ? AAA 132 ? ? ? AAA 141 ? ALL ? 
12 'X-RAY DIFFRACTION' 12 ? ? AAA 142 ? ? ? AAA 146 ? ALL ? 
13 'X-RAY DIFFRACTION' 13 ? ? AAA 147 ? ? ? AAA 151 ? ALL ? 
14 'X-RAY DIFFRACTION' 14 ? ? AAA 152 ? ? ? AAA 159 ? ALL ? 
15 'X-RAY DIFFRACTION' 15 ? ? AAA 160 ? ? ? AAA 175 ? ALL ? 
16 'X-RAY DIFFRACTION' 16 ? ? AAA 176 ? ? ? AAA 187 ? ALL ? 
17 'X-RAY DIFFRACTION' 17 ? ? AAA 188 ? ? ? AAA 193 ? ALL ? 
18 'X-RAY DIFFRACTION' 18 ? ? AAA 194 ? ? ? AAA 204 ? ALL ? 
19 'X-RAY DIFFRACTION' 19 ? ? AAA 205 ? ? ? AAA 212 ? ALL ? 
20 'X-RAY DIFFRACTION' 20 ? ? AAA 213 ? ? ? AAA 215 ? ALL ? 
21 'X-RAY DIFFRACTION' 21 ? ? BBB 0   ? ? ? BBB 13  ? ALL ? 
22 'X-RAY DIFFRACTION' 22 ? ? BBB 14  ? ? ? BBB 19  ? ALL ? 
23 'X-RAY DIFFRACTION' 23 ? ? BBB 20  ? ? ? BBB 27  ? ALL ? 
24 'X-RAY DIFFRACTION' 24 ? ? BBB 28  ? ? ? BBB 41  ? ALL ? 
25 'X-RAY DIFFRACTION' 25 ? ? BBB 42  ? ? ? BBB 58  ? ALL ? 
26 'X-RAY DIFFRACTION' 26 ? ? BBB 59  ? ? ? BBB 67  ? ALL ? 
27 'X-RAY DIFFRACTION' 27 ? ? BBB 68  ? ? ? BBB 81  ? ALL ? 
28 'X-RAY DIFFRACTION' 28 ? ? BBB 82  ? ? ? BBB 88  ? ALL ? 
29 'X-RAY DIFFRACTION' 29 ? ? BBB 89  ? ? ? BBB 120 ? ALL ? 
30 'X-RAY DIFFRACTION' 30 ? ? BBB 121 ? ? ? BBB 125 ? ALL ? 
31 'X-RAY DIFFRACTION' 31 ? ? BBB 126 ? ? ? BBB 141 ? ALL ? 
32 'X-RAY DIFFRACTION' 32 ? ? BBB 142 ? ? ? BBB 147 ? ALL ? 
33 'X-RAY DIFFRACTION' 33 ? ? BBB 148 ? ? ? BBB 153 ? ALL ? 
34 'X-RAY DIFFRACTION' 34 ? ? BBB 154 ? ? ? BBB 162 ? ALL ? 
35 'X-RAY DIFFRACTION' 35 ? ? BBB 163 ? ? ? BBB 172 ? ALL ? 
36 'X-RAY DIFFRACTION' 36 ? ? BBB 173 ? ? ? BBB 182 ? ALL ? 
37 'X-RAY DIFFRACTION' 37 ? ? BBB 183 ? ? ? BBB 191 ? ALL ? 
38 'X-RAY DIFFRACTION' 38 ? ? BBB 192 ? ? ? BBB 197 ? ALL ? 
39 'X-RAY DIFFRACTION' 39 ? ? BBB 198 ? ? ? BBB 213 ? ALL ? 
40 'X-RAY DIFFRACTION' 40 ? ? BBB 214 ? ? ? BBB 216 ? ALL ? 
41 'X-RAY DIFFRACTION' 41 ? ? CCC 0   ? ? ? CCC 6   ? ALL ? 
42 'X-RAY DIFFRACTION' 42 ? ? CCC 7   ? ? ? CCC 17  ? ALL ? 
43 'X-RAY DIFFRACTION' 43 ? ? CCC 18  ? ? ? CCC 24  ? ALL ? 
44 'X-RAY DIFFRACTION' 44 ? ? CCC 25  ? ? ? CCC 34  ? ALL ? 
45 'X-RAY DIFFRACTION' 45 ? ? CCC 35  ? ? ? CCC 42  ? ALL ? 
46 'X-RAY DIFFRACTION' 46 ? ? CCC 43  ? ? ? CCC 48  ? ALL ? 
47 'X-RAY DIFFRACTION' 47 ? ? CCC 49  ? ? ? CCC 63  ? ALL ? 
48 'X-RAY DIFFRACTION' 48 ? ? CCC 64  ? ? ? CCC 70  ? ALL ? 
49 'X-RAY DIFFRACTION' 49 ? ? CCC 71  ? ? ? CCC 84  ? ALL ? 
50 'X-RAY DIFFRACTION' 50 ? ? CCC 85  ? ? ? CCC 115 ? ALL ? 
51 'X-RAY DIFFRACTION' 51 ? ? CCC 116 ? ? ? CCC 129 ? ALL ? 
52 'X-RAY DIFFRACTION' 52 ? ? CCC 130 ? ? ? CCC 142 ? ALL ? 
53 'X-RAY DIFFRACTION' 53 ? ? CCC 143 ? ? ? CCC 147 ? ALL ? 
54 'X-RAY DIFFRACTION' 54 ? ? CCC 148 ? ? ? CCC 165 ? ALL ? 
55 'X-RAY DIFFRACTION' 55 ? ? CCC 166 ? ? ? CCC 184 ? ALL ? 
56 'X-RAY DIFFRACTION' 56 ? ? CCC 185 ? ? ? CCC 190 ? ALL ? 
57 'X-RAY DIFFRACTION' 57 ? ? CCC 191 ? ? ? CCC 197 ? ALL ? 
58 'X-RAY DIFFRACTION' 58 ? ? CCC 198 ? ? ? CCC 205 ? ALL ? 
59 'X-RAY DIFFRACTION' 59 ? ? CCC 206 ? ? ? CCC 212 ? ALL ? 
60 'X-RAY DIFFRACTION' 60 ? ? CCC 213 ? ? ? CCC 216 ? ALL ? 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      AAA 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       486 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.67 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 BBB GLY 217 ? A GLY 218 
2  1 Y 1 BBB PRO 218 ? A PRO 219 
3  1 Y 1 BBB ALA 219 ? A ALA 220 
4  1 Y 1 BBB ALA 220 ? A ALA 221 
5  1 Y 1 BBB GLU 221 ? A GLU 222 
6  1 Y 1 BBB GLY 222 ? A GLY 223 
7  1 Y 1 BBB SER 223 ? A SER 224 
8  1 Y 1 CCC GLY 217 ? B GLY 218 
9  1 Y 1 CCC PRO 218 ? B PRO 219 
10 1 Y 1 CCC ALA 219 ? B ALA 220 
11 1 Y 1 CCC ALA 220 ? B ALA 221 
12 1 Y 1 CCC GLU 221 ? B GLU 222 
13 1 Y 1 CCC GLY 222 ? B GLY 223 
14 1 Y 1 CCC SER 223 ? B SER 224 
15 1 Y 1 AAA GLN 216 ? C GLN 217 
16 1 Y 1 AAA GLY 217 ? C GLY 218 
17 1 Y 1 AAA PRO 218 ? C PRO 219 
18 1 Y 1 AAA ALA 219 ? C ALA 220 
19 1 Y 1 AAA ALA 220 ? C ALA 221 
20 1 Y 1 AAA GLU 221 ? C GLU 222 
21 1 Y 1 AAA GLY 222 ? C GLY 223 
22 1 Y 1 AAA SER 223 ? C SER 224 
# 
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 
A1H1Q C11  C N N 1   
A1H1Q C12  C N N 2   
A1H1Q C13  C N N 3   
A1H1Q C15  C Y N 4   
A1H1Q C16  C Y N 5   
A1H1Q C18  C N N 6   
A1H1Q C22  C Y N 7   
A1H1Q C23  C Y N 8   
A1H1Q C24  C Y N 9   
A1H1Q C25  C Y N 10  
A1H1Q N21  N N N 11  
A1H1Q O1   O N N 12  
A1H1Q C2   C N N 13  
A1H1Q C3   C Y N 14  
A1H1Q C4   C Y N 15  
A1H1Q C5   C Y N 16  
A1H1Q O6   O N N 17  
A1H1Q C7   C N N 18  
A1H1Q C8   C Y N 19  
A1H1Q O9   O N N 20  
A1H1Q C10  C N N 21  
A1H1Q N14  N N N 22  
A1H1Q N17  N Y N 23  
A1H1Q C19  C Y N 24  
A1H1Q C20  C N N 25  
A1H1Q S26  S Y N 26  
A1H1Q C27  C Y N 27  
A1H1Q C28  C N N 28  
A1H1Q N29  N N N 29  
A1H1Q C30  C Y N 30  
A1H1Q C31  C Y N 31  
A1H1Q N32  N Y N 32  
A1H1Q C33  C N N 33  
A1H1Q C34  C Y N 34  
A1H1Q C35  C N N 35  
A1H1Q S36  S N N 36  
A1H1Q C37  C N N 37  
A1H1Q C38  C N S 38  
A1H1Q O39  O N N 39  
A1H1Q C40  C N S 40  
A1H1Q O41  O N N 41  
A1H1Q C42  C N N 42  
A1H1Q S43  S N N 43  
A1H1Q O44  O N N 44  
A1H1Q N45  N Y N 45  
A1H1Q O46  O N N 46  
A1H1Q C47  C Y N 47  
A1H1Q C48  C Y N 48  
A1H1Q C49  C Y N 49  
A1H1Q O50  O N N 50  
A1H1Q C51  C Y N 51  
A1H1Q O52  O N N 52  
A1H1Q C53  C Y N 53  
A1H1Q C54  C Y N 54  
A1H1Q N55  N N N 55  
A1H1Q C56  C N N 56  
A1H1Q C57  C N S 57  
A1H1Q N58  N N N 58  
A1H1Q C59  C N N 59  
A1H1Q C60  C N N 60  
A1H1Q C61  C N N 61  
A1H1Q H11A H N N 62  
A1H1Q H11B H N N 63  
A1H1Q H12A H N N 64  
A1H1Q H12B H N N 65  
A1H1Q H16  H N N 66  
A1H1Q H18B H N N 67  
A1H1Q H18A H N N 68  
A1H1Q H18C H N N 69  
A1H1Q H23  H N N 70  
A1H1Q H24  H N N 71  
A1H1Q H21  H N N 72  
A1H1Q H4   H N N 73  
A1H1Q H7A  H N N 74  
A1H1Q H7B  H N N 75  
A1H1Q H7C  H N N 76  
A1H1Q H10B H N N 77  
A1H1Q H10A H N N 78  
A1H1Q H14  H N N 79  
A1H1Q H29  H N N 80  
A1H1Q H31  H N N 81  
A1H1Q H33B H N N 82  
A1H1Q H33C H N N 83  
A1H1Q H33A H N N 84  
A1H1Q H37B H N N 85  
A1H1Q H37A H N N 86  
A1H1Q H38  H N N 87  
A1H1Q H39  H N N 88  
A1H1Q H40  H N N 89  
A1H1Q H41  H N N 90  
A1H1Q H42A H N N 91  
A1H1Q H42B H N N 92  
A1H1Q H43  H N N 93  
A1H1Q H47  H N N 94  
A1H1Q H49  H N N 95  
A1H1Q H51  H N N 96  
A1H1Q H53  H N N 97  
A1H1Q H56  H N N 98  
A1H1Q H57  H N N 99  
A1H1Q H59A H N N 100 
A1H1Q H59B H N N 101 
A1H1Q H60A H N N 102 
A1H1Q H60B H N N 103 
A1H1Q H61A H N N 104 
A1H1Q H61B H N N 105 
A1H1R C10  C N N 106 
A1H1R C12  C N N 107 
A1H1R C13  C N N 108 
A1H1R C15  C Y N 109 
A1H1R C16  C Y N 110 
A1H1R N14  N N N 111 
A1H1R O1   O N N 112 
A1H1R C2   C N N 113 
A1H1R C3   C Y N 114 
A1H1R C4   C Y N 115 
A1H1R C5   C Y N 116 
A1H1R O6   O N N 117 
A1H1R C7   C N N 118 
A1H1R C8   C Y N 119 
A1H1R O9   O N N 120 
A1H1R C11  C N N 121 
A1H1R N17  N Y N 122 
A1H1R C18  C N N 123 
A1H1R C19  C Y N 124 
A1H1R C20  C N N 125 
A1H1R N21  N N N 126 
A1H1R C22  C Y N 127 
A1H1R C23  C Y N 128 
A1H1R C24  C Y N 129 
A1H1R C25  C Y N 130 
A1H1R S26  S Y N 131 
A1H1R C27  C Y N 132 
A1H1R C28  C N N 133 
A1H1R N29  N N N 134 
A1H1R C30  C Y N 135 
A1H1R C31  C Y N 136 
A1H1R N32  N Y N 137 
A1H1R C33  C N N 138 
A1H1R C34  C Y N 139 
A1H1R C35  C N N 140 
A1H1R O36  O N N 141 
A1H1R C37  C N N 142 
A1H1R C38  C N N 143 
A1H1R O39  O N N 144 
A1H1R N40  N Y N 145 
A1H1R O41  O N N 146 
A1H1R C42  C Y N 147 
A1H1R C43  C Y N 148 
A1H1R C44  C Y N 149 
A1H1R O45  O N N 150 
A1H1R C46  C Y N 151 
A1H1R O47  O N N 152 
A1H1R C48  C Y N 153 
A1H1R C49  C Y N 154 
A1H1R N50  N N N 155 
A1H1R C51  C N N 156 
A1H1R C52  C N S 157 
A1H1R N53  N N N 158 
A1H1R C54  C N N 159 
A1H1R C55  C N N 160 
A1H1R C56  C N N 161 
A1H1R H10A H N N 162 
A1H1R H10B H N N 163 
A1H1R H12B H N N 164 
A1H1R H12A H N N 165 
A1H1R H16  H N N 166 
A1H1R H14  H N N 167 
A1H1R H4   H N N 168 
A1H1R H7B  H N N 169 
A1H1R H7C  H N N 170 
A1H1R H7A  H N N 171 
A1H1R H11A H N N 172 
A1H1R H11B H N N 173 
A1H1R H18C H N N 174 
A1H1R H18A H N N 175 
A1H1R H18B H N N 176 
A1H1R H21  H N N 177 
A1H1R H23  H N N 178 
A1H1R H24  H N N 179 
A1H1R H29  H N N 180 
A1H1R H31  H N N 181 
A1H1R H33C H N N 182 
A1H1R H33B H N N 183 
A1H1R H33A H N N 184 
A1H1R H37B H N N 185 
A1H1R H37A H N N 186 
A1H1R H38C H N N 187 
A1H1R H38A H N N 188 
A1H1R H38B H N N 189 
A1H1R H42  H N N 190 
A1H1R H44  H N N 191 
A1H1R H46  H N N 192 
A1H1R H48  H N N 193 
A1H1R H51  H N N 194 
A1H1R H52  H N N 195 
A1H1R H54A H N N 196 
A1H1R H54B H N N 197 
A1H1R H55A H N N 198 
A1H1R H55B H N N 199 
A1H1R H56A H N N 200 
A1H1R H56B H N N 201 
ALA   N    N N N 202 
ALA   CA   C N S 203 
ALA   C    C N N 204 
ALA   O    O N N 205 
ALA   CB   C N N 206 
ALA   OXT  O N N 207 
ALA   H    H N N 208 
ALA   H2   H N N 209 
ALA   HA   H N N 210 
ALA   HB1  H N N 211 
ALA   HB2  H N N 212 
ALA   HB3  H N N 213 
ALA   HXT  H N N 214 
ARG   N    N N N 215 
ARG   CA   C N S 216 
ARG   C    C N N 217 
ARG   O    O N N 218 
ARG   CB   C N N 219 
ARG   CG   C N N 220 
ARG   CD   C N N 221 
ARG   NE   N N N 222 
ARG   CZ   C N N 223 
ARG   NH1  N N N 224 
ARG   NH2  N N N 225 
ARG   OXT  O N N 226 
ARG   H    H N N 227 
ARG   H2   H N N 228 
ARG   HA   H N N 229 
ARG   HB2  H N N 230 
ARG   HB3  H N N 231 
ARG   HG2  H N N 232 
ARG   HG3  H N N 233 
ARG   HD2  H N N 234 
ARG   HD3  H N N 235 
ARG   HE   H N N 236 
ARG   HH11 H N N 237 
ARG   HH12 H N N 238 
ARG   HH21 H N N 239 
ARG   HH22 H N N 240 
ARG   HXT  H N N 241 
ASN   N    N N N 242 
ASN   CA   C N S 243 
ASN   C    C N N 244 
ASN   O    O N N 245 
ASN   CB   C N N 246 
ASN   CG   C N N 247 
ASN   OD1  O N N 248 
ASN   ND2  N N N 249 
ASN   OXT  O N N 250 
ASN   H    H N N 251 
ASN   H2   H N N 252 
ASN   HA   H N N 253 
ASN   HB2  H N N 254 
ASN   HB3  H N N 255 
ASN   HD21 H N N 256 
ASN   HD22 H N N 257 
ASN   HXT  H N N 258 
ASP   N    N N N 259 
ASP   CA   C N S 260 
ASP   C    C N N 261 
ASP   O    O N N 262 
ASP   CB   C N N 263 
ASP   CG   C N N 264 
ASP   OD1  O N N 265 
ASP   OD2  O N N 266 
ASP   OXT  O N N 267 
ASP   H    H N N 268 
ASP   H2   H N N 269 
ASP   HA   H N N 270 
ASP   HB2  H N N 271 
ASP   HB3  H N N 272 
ASP   HD2  H N N 273 
ASP   HXT  H N N 274 
CYS   N    N N N 275 
CYS   CA   C N R 276 
CYS   C    C N N 277 
CYS   O    O N N 278 
CYS   CB   C N N 279 
CYS   SG   S N N 280 
CYS   OXT  O N N 281 
CYS   H    H N N 282 
CYS   H2   H N N 283 
CYS   HA   H N N 284 
CYS   HB2  H N N 285 
CYS   HB3  H N N 286 
CYS   HG   H N N 287 
CYS   HXT  H N N 288 
DTV   S1   S N N 289 
DTV   C1   C N N 290 
DTV   C2   C N S 291 
DTV   O2   O N N 292 
DTV   C3   C N S 293 
DTV   O3   O N N 294 
DTV   C4   C N N 295 
DTV   S4   S N N 296 
DTV   H1   H N N 297 
DTV   H1C1 H N N 298 
DTV   H1C2 H N N 299 
DTV   H2   H N N 300 
DTV   HA   H N N 301 
DTV   H3   H N N 302 
DTV   HB   H N N 303 
DTV   H4C1 H N N 304 
DTV   H4C2 H N N 305 
DTV   H4   H N N 306 
GLN   N    N N N 307 
GLN   CA   C N S 308 
GLN   C    C N N 309 
GLN   O    O N N 310 
GLN   CB   C N N 311 
GLN   CG   C N N 312 
GLN   CD   C N N 313 
GLN   OE1  O N N 314 
GLN   NE2  N N N 315 
GLN   OXT  O N N 316 
GLN   H    H N N 317 
GLN   H2   H N N 318 
GLN   HA   H N N 319 
GLN   HB2  H N N 320 
GLN   HB3  H N N 321 
GLN   HG2  H N N 322 
GLN   HG3  H N N 323 
GLN   HE21 H N N 324 
GLN   HE22 H N N 325 
GLN   HXT  H N N 326 
GLU   N    N N N 327 
GLU   CA   C N S 328 
GLU   C    C N N 329 
GLU   O    O N N 330 
GLU   CB   C N N 331 
GLU   CG   C N N 332 
GLU   CD   C N N 333 
GLU   OE1  O N N 334 
GLU   OE2  O N N 335 
GLU   OXT  O N N 336 
GLU   H    H N N 337 
GLU   H2   H N N 338 
GLU   HA   H N N 339 
GLU   HB2  H N N 340 
GLU   HB3  H N N 341 
GLU   HG2  H N N 342 
GLU   HG3  H N N 343 
GLU   HE2  H N N 344 
GLU   HXT  H N N 345 
GLY   N    N N N 346 
GLY   CA   C N N 347 
GLY   C    C N N 348 
GLY   O    O N N 349 
GLY   OXT  O N N 350 
GLY   H    H N N 351 
GLY   H2   H N N 352 
GLY   HA2  H N N 353 
GLY   HA3  H N N 354 
GLY   HXT  H N N 355 
HIS   N    N N N 356 
HIS   CA   C N S 357 
HIS   C    C N N 358 
HIS   O    O N N 359 
HIS   CB   C N N 360 
HIS   CG   C Y N 361 
HIS   ND1  N Y N 362 
HIS   CD2  C Y N 363 
HIS   CE1  C Y N 364 
HIS   NE2  N Y N 365 
HIS   OXT  O N N 366 
HIS   H    H N N 367 
HIS   H2   H N N 368 
HIS   HA   H N N 369 
HIS   HB2  H N N 370 
HIS   HB3  H N N 371 
HIS   HD1  H N N 372 
HIS   HD2  H N N 373 
HIS   HE1  H N N 374 
HIS   HE2  H N N 375 
HIS   HXT  H N N 376 
HOH   O    O N N 377 
HOH   H1   H N N 378 
HOH   H2   H N N 379 
ILE   N    N N N 380 
ILE   CA   C N S 381 
ILE   C    C N N 382 
ILE   O    O N N 383 
ILE   CB   C N S 384 
ILE   CG1  C N N 385 
ILE   CG2  C N N 386 
ILE   CD1  C N N 387 
ILE   OXT  O N N 388 
ILE   H    H N N 389 
ILE   H2   H N N 390 
ILE   HA   H N N 391 
ILE   HB   H N N 392 
ILE   HG12 H N N 393 
ILE   HG13 H N N 394 
ILE   HG21 H N N 395 
ILE   HG22 H N N 396 
ILE   HG23 H N N 397 
ILE   HD11 H N N 398 
ILE   HD12 H N N 399 
ILE   HD13 H N N 400 
ILE   HXT  H N N 401 
LEU   N    N N N 402 
LEU   CA   C N S 403 
LEU   C    C N N 404 
LEU   O    O N N 405 
LEU   CB   C N N 406 
LEU   CG   C N N 407 
LEU   CD1  C N N 408 
LEU   CD2  C N N 409 
LEU   OXT  O N N 410 
LEU   H    H N N 411 
LEU   H2   H N N 412 
LEU   HA   H N N 413 
LEU   HB2  H N N 414 
LEU   HB3  H N N 415 
LEU   HG   H N N 416 
LEU   HD11 H N N 417 
LEU   HD12 H N N 418 
LEU   HD13 H N N 419 
LEU   HD21 H N N 420 
LEU   HD22 H N N 421 
LEU   HD23 H N N 422 
LEU   HXT  H N N 423 
LYS   N    N N N 424 
LYS   CA   C N S 425 
LYS   C    C N N 426 
LYS   O    O N N 427 
LYS   CB   C N N 428 
LYS   CG   C N N 429 
LYS   CD   C N N 430 
LYS   CE   C N N 431 
LYS   NZ   N N N 432 
LYS   OXT  O N N 433 
LYS   H    H N N 434 
LYS   H2   H N N 435 
LYS   HA   H N N 436 
LYS   HB2  H N N 437 
LYS   HB3  H N N 438 
LYS   HG2  H N N 439 
LYS   HG3  H N N 440 
LYS   HD2  H N N 441 
LYS   HD3  H N N 442 
LYS   HE2  H N N 443 
LYS   HE3  H N N 444 
LYS   HZ1  H N N 445 
LYS   HZ2  H N N 446 
LYS   HZ3  H N N 447 
LYS   HXT  H N N 448 
MET   N    N N N 449 
MET   CA   C N S 450 
MET   C    C N N 451 
MET   O    O N N 452 
MET   CB   C N N 453 
MET   CG   C N N 454 
MET   SD   S N N 455 
MET   CE   C N N 456 
MET   OXT  O N N 457 
MET   H    H N N 458 
MET   H2   H N N 459 
MET   HA   H N N 460 
MET   HB2  H N N 461 
MET   HB3  H N N 462 
MET   HG2  H N N 463 
MET   HG3  H N N 464 
MET   HE1  H N N 465 
MET   HE2  H N N 466 
MET   HE3  H N N 467 
MET   HXT  H N N 468 
PHE   N    N N N 469 
PHE   CA   C N S 470 
PHE   C    C N N 471 
PHE   O    O N N 472 
PHE   CB   C N N 473 
PHE   CG   C Y N 474 
PHE   CD1  C Y N 475 
PHE   CD2  C Y N 476 
PHE   CE1  C Y N 477 
PHE   CE2  C Y N 478 
PHE   CZ   C Y N 479 
PHE   OXT  O N N 480 
PHE   H    H N N 481 
PHE   H2   H N N 482 
PHE   HA   H N N 483 
PHE   HB2  H N N 484 
PHE   HB3  H N N 485 
PHE   HD1  H N N 486 
PHE   HD2  H N N 487 
PHE   HE1  H N N 488 
PHE   HE2  H N N 489 
PHE   HZ   H N N 490 
PHE   HXT  H N N 491 
PRO   N    N N N 492 
PRO   CA   C N S 493 
PRO   C    C N N 494 
PRO   O    O N N 495 
PRO   CB   C N N 496 
PRO   CG   C N N 497 
PRO   CD   C N N 498 
PRO   OXT  O N N 499 
PRO   H    H N N 500 
PRO   HA   H N N 501 
PRO   HB2  H N N 502 
PRO   HB3  H N N 503 
PRO   HG2  H N N 504 
PRO   HG3  H N N 505 
PRO   HD2  H N N 506 
PRO   HD3  H N N 507 
PRO   HXT  H N N 508 
SER   N    N N N 509 
SER   CA   C N S 510 
SER   C    C N N 511 
SER   O    O N N 512 
SER   CB   C N N 513 
SER   OG   O N N 514 
SER   OXT  O N N 515 
SER   H    H N N 516 
SER   H2   H N N 517 
SER   HA   H N N 518 
SER   HB2  H N N 519 
SER   HB3  H N N 520 
SER   HG   H N N 521 
SER   HXT  H N N 522 
THR   N    N N N 523 
THR   CA   C N S 524 
THR   C    C N N 525 
THR   O    O N N 526 
THR   CB   C N R 527 
THR   OG1  O N N 528 
THR   CG2  C N N 529 
THR   OXT  O N N 530 
THR   H    H N N 531 
THR   H2   H N N 532 
THR   HA   H N N 533 
THR   HB   H N N 534 
THR   HG1  H N N 535 
THR   HG21 H N N 536 
THR   HG22 H N N 537 
THR   HG23 H N N 538 
THR   HXT  H N N 539 
TRP   N    N N N 540 
TRP   CA   C N S 541 
TRP   C    C N N 542 
TRP   O    O N N 543 
TRP   CB   C N N 544 
TRP   CG   C Y N 545 
TRP   CD1  C Y N 546 
TRP   CD2  C Y N 547 
TRP   NE1  N Y N 548 
TRP   CE2  C Y N 549 
TRP   CE3  C Y N 550 
TRP   CZ2  C Y N 551 
TRP   CZ3  C Y N 552 
TRP   CH2  C Y N 553 
TRP   OXT  O N N 554 
TRP   H    H N N 555 
TRP   H2   H N N 556 
TRP   HA   H N N 557 
TRP   HB2  H N N 558 
TRP   HB3  H N N 559 
TRP   HD1  H N N 560 
TRP   HE1  H N N 561 
TRP   HE3  H N N 562 
TRP   HZ2  H N N 563 
TRP   HZ3  H N N 564 
TRP   HH2  H N N 565 
TRP   HXT  H N N 566 
TYR   N    N N N 567 
TYR   CA   C N S 568 
TYR   C    C N N 569 
TYR   O    O N N 570 
TYR   CB   C N N 571 
TYR   CG   C Y N 572 
TYR   CD1  C Y N 573 
TYR   CD2  C Y N 574 
TYR   CE1  C Y N 575 
TYR   CE2  C Y N 576 
TYR   CZ   C Y N 577 
TYR   OH   O N N 578 
TYR   OXT  O N N 579 
TYR   H    H N N 580 
TYR   H2   H N N 581 
TYR   HA   H N N 582 
TYR   HB2  H N N 583 
TYR   HB3  H N N 584 
TYR   HD1  H N N 585 
TYR   HD2  H N N 586 
TYR   HE1  H N N 587 
TYR   HE2  H N N 588 
TYR   HH   H N N 589 
TYR   HXT  H N N 590 
VAL   N    N N N 591 
VAL   CA   C N S 592 
VAL   C    C N N 593 
VAL   O    O N N 594 
VAL   CB   C N N 595 
VAL   CG1  C N N 596 
VAL   CG2  C N N 597 
VAL   OXT  O N N 598 
VAL   H    H N N 599 
VAL   H2   H N N 600 
VAL   HA   H N N 601 
VAL   HB   H N N 602 
VAL   HG11 H N N 603 
VAL   HG12 H N N 604 
VAL   HG13 H N N 605 
VAL   HG21 H N N 606 
VAL   HG22 H N N 607 
VAL   HG23 H N N 608 
VAL   HXT  H N N 609 
# 
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 
A1H1Q O1  C2   doub N N 1   
A1H1Q C2  C3   sing N N 2   
A1H1Q C3  C4   sing Y N 3   
A1H1Q C4  C5   doub Y N 4   
A1H1Q C5  O6   sing N N 5   
A1H1Q O6  C7   sing N N 6   
A1H1Q C5  C8   sing Y N 7   
A1H1Q C8  O9   sing N N 8   
A1H1Q O9  C10  sing N N 9   
A1H1Q C10 C11  sing N N 10  
A1H1Q C11 C12  sing N N 11  
A1H1Q C12 C13  sing N N 12  
A1H1Q C13 N14  sing N N 13  
A1H1Q N14 C15  sing N N 14  
A1H1Q C15 C16  doub Y N 15  
A1H1Q C16 N17  sing Y N 16  
A1H1Q N17 C18  sing N N 17  
A1H1Q N17 C19  sing Y N 18  
A1H1Q C19 C20  sing N N 19  
A1H1Q C20 N21  sing N N 20  
A1H1Q N21 C22  sing N N 21  
A1H1Q C22 C23  doub Y N 22  
A1H1Q C23 C24  sing Y N 23  
A1H1Q C24 C25  doub Y N 24  
A1H1Q C25 S26  sing Y N 25  
A1H1Q S26 C27  sing Y N 26  
A1H1Q C27 C28  sing N N 27  
A1H1Q C28 N29  sing N N 28  
A1H1Q N29 C30  sing N N 29  
A1H1Q C30 C31  doub Y N 30  
A1H1Q C31 N32  sing Y N 31  
A1H1Q N32 C33  sing N N 32  
A1H1Q N32 C34  sing Y N 33  
A1H1Q C34 C35  sing N N 34  
A1H1Q C35 S36  sing N N 35  
A1H1Q S36 C37  sing N N 36  
A1H1Q C37 C38  sing N N 37  
A1H1Q C38 O39  sing N N 38  
A1H1Q C38 C40  sing N N 39  
A1H1Q C40 O41  sing N N 40  
A1H1Q C40 C42  sing N N 41  
A1H1Q C42 S43  sing N N 42  
A1H1Q C35 O44  doub N N 43  
A1H1Q C34 N45  doub Y N 44  
A1H1Q C28 O46  doub N N 45  
A1H1Q C27 C47  doub Y N 46  
A1H1Q C25 C48  sing Y N 47  
A1H1Q C48 C49  doub Y N 48  
A1H1Q C20 O50  doub N N 49  
A1H1Q C19 C51  doub Y N 50  
A1H1Q C13 O52  doub N N 51  
A1H1Q C8  C53  doub Y N 52  
A1H1Q C53 C54  sing Y N 53  
A1H1Q C54 N55  sing N N 54  
A1H1Q N55 C56  doub N N 55  
A1H1Q C56 C57  sing N N 56  
A1H1Q C57 N58  sing N N 57  
A1H1Q N58 C59  sing N N 58  
A1H1Q C59 C60  sing N N 59  
A1H1Q C60 C61  sing N N 60  
A1H1Q N58 C2   sing N N 61  
A1H1Q C54 C3   doub Y N 62  
A1H1Q C51 C15  sing Y N 63  
A1H1Q C49 C22  sing Y N 64  
A1H1Q N45 C30  sing Y N 65  
A1H1Q C48 C47  sing Y N 66  
A1H1Q C61 C57  sing N N 67  
A1H1Q C11 H11A sing N N 68  
A1H1Q C11 H11B sing N N 69  
A1H1Q C12 H12A sing N N 70  
A1H1Q C12 H12B sing N N 71  
A1H1Q C16 H16  sing N N 72  
A1H1Q C18 H18B sing N N 73  
A1H1Q C18 H18A sing N N 74  
A1H1Q C18 H18C sing N N 75  
A1H1Q C23 H23  sing N N 76  
A1H1Q C24 H24  sing N N 77  
A1H1Q N21 H21  sing N N 78  
A1H1Q C4  H4   sing N N 79  
A1H1Q C7  H7A  sing N N 80  
A1H1Q C7  H7B  sing N N 81  
A1H1Q C7  H7C  sing N N 82  
A1H1Q C10 H10B sing N N 83  
A1H1Q C10 H10A sing N N 84  
A1H1Q N14 H14  sing N N 85  
A1H1Q N29 H29  sing N N 86  
A1H1Q C31 H31  sing N N 87  
A1H1Q C33 H33B sing N N 88  
A1H1Q C33 H33C sing N N 89  
A1H1Q C33 H33A sing N N 90  
A1H1Q C37 H37B sing N N 91  
A1H1Q C37 H37A sing N N 92  
A1H1Q C38 H38  sing N N 93  
A1H1Q O39 H39  sing N N 94  
A1H1Q C40 H40  sing N N 95  
A1H1Q O41 H41  sing N N 96  
A1H1Q C42 H42A sing N N 97  
A1H1Q C42 H42B sing N N 98  
A1H1Q S43 H43  sing N N 99  
A1H1Q C47 H47  sing N N 100 
A1H1Q C49 H49  sing N N 101 
A1H1Q C51 H51  sing N N 102 
A1H1Q C53 H53  sing N N 103 
A1H1Q C56 H56  sing N N 104 
A1H1Q C57 H57  sing N N 105 
A1H1Q C59 H59A sing N N 106 
A1H1Q C59 H59B sing N N 107 
A1H1Q C60 H60A sing N N 108 
A1H1Q C60 H60B sing N N 109 
A1H1Q C61 H61A sing N N 110 
A1H1Q C61 H61B sing N N 111 
A1H1R O1  C2   doub N N 112 
A1H1R C2  C3   sing N N 113 
A1H1R C3  C4   doub Y N 114 
A1H1R C4  C5   sing Y N 115 
A1H1R C5  O6   sing N N 116 
A1H1R O6  C7   sing N N 117 
A1H1R C5  C8   doub Y N 118 
A1H1R C8  O9   sing N N 119 
A1H1R O9  C10  sing N N 120 
A1H1R C10 C11  sing N N 121 
A1H1R C11 C12  sing N N 122 
A1H1R C12 C13  sing N N 123 
A1H1R C13 N14  sing N N 124 
A1H1R N14 C15  sing N N 125 
A1H1R C15 C16  doub Y N 126 
A1H1R C16 N17  sing Y N 127 
A1H1R N17 C18  sing N N 128 
A1H1R N17 C19  sing Y N 129 
A1H1R C19 C20  sing N N 130 
A1H1R C20 N21  sing N N 131 
A1H1R N21 C22  sing N N 132 
A1H1R C22 C23  doub Y N 133 
A1H1R C23 C24  sing Y N 134 
A1H1R C24 C25  doub Y N 135 
A1H1R C25 S26  sing Y N 136 
A1H1R S26 C27  sing Y N 137 
A1H1R C27 C28  sing N N 138 
A1H1R C28 N29  sing N N 139 
A1H1R N29 C30  sing N N 140 
A1H1R C30 C31  doub Y N 141 
A1H1R C31 N32  sing Y N 142 
A1H1R N32 C33  sing N N 143 
A1H1R N32 C34  sing Y N 144 
A1H1R C34 C35  sing N N 145 
A1H1R C35 O36  sing N N 146 
A1H1R O36 C37  sing N N 147 
A1H1R C37 C38  sing N N 148 
A1H1R C35 O39  doub N N 149 
A1H1R C34 N40  doub Y N 150 
A1H1R C28 O41  doub N N 151 
A1H1R C27 C42  doub Y N 152 
A1H1R C25 C43  sing Y N 153 
A1H1R C43 C44  doub Y N 154 
A1H1R C20 O45  doub N N 155 
A1H1R C19 C46  doub Y N 156 
A1H1R C13 O47  doub N N 157 
A1H1R C8  C48  sing Y N 158 
A1H1R C48 C49  doub Y N 159 
A1H1R C49 N50  sing N N 160 
A1H1R N50 C51  doub N N 161 
A1H1R C51 C52  sing N N 162 
A1H1R C52 N53  sing N N 163 
A1H1R N53 C54  sing N N 164 
A1H1R C54 C55  sing N N 165 
A1H1R C55 C56  sing N N 166 
A1H1R N53 C2   sing N N 167 
A1H1R C49 C3   sing Y N 168 
A1H1R C46 C15  sing Y N 169 
A1H1R C44 C22  sing Y N 170 
A1H1R N40 C30  sing Y N 171 
A1H1R C43 C42  sing Y N 172 
A1H1R C56 C52  sing N N 173 
A1H1R C10 H10A sing N N 174 
A1H1R C10 H10B sing N N 175 
A1H1R C12 H12B sing N N 176 
A1H1R C12 H12A sing N N 177 
A1H1R C16 H16  sing N N 178 
A1H1R N14 H14  sing N N 179 
A1H1R C4  H4   sing N N 180 
A1H1R C7  H7B  sing N N 181 
A1H1R C7  H7C  sing N N 182 
A1H1R C7  H7A  sing N N 183 
A1H1R C11 H11A sing N N 184 
A1H1R C11 H11B sing N N 185 
A1H1R C18 H18C sing N N 186 
A1H1R C18 H18A sing N N 187 
A1H1R C18 H18B sing N N 188 
A1H1R N21 H21  sing N N 189 
A1H1R C23 H23  sing N N 190 
A1H1R C24 H24  sing N N 191 
A1H1R N29 H29  sing N N 192 
A1H1R C31 H31  sing N N 193 
A1H1R C33 H33C sing N N 194 
A1H1R C33 H33B sing N N 195 
A1H1R C33 H33A sing N N 196 
A1H1R C37 H37B sing N N 197 
A1H1R C37 H37A sing N N 198 
A1H1R C38 H38C sing N N 199 
A1H1R C38 H38A sing N N 200 
A1H1R C38 H38B sing N N 201 
A1H1R C42 H42  sing N N 202 
A1H1R C44 H44  sing N N 203 
A1H1R C46 H46  sing N N 204 
A1H1R C48 H48  sing N N 205 
A1H1R C51 H51  sing N N 206 
A1H1R C52 H52  sing N N 207 
A1H1R C54 H54A sing N N 208 
A1H1R C54 H54B sing N N 209 
A1H1R C55 H55A sing N N 210 
A1H1R C55 H55B sing N N 211 
A1H1R C56 H56A sing N N 212 
A1H1R C56 H56B sing N N 213 
ALA   N   CA   sing N N 214 
ALA   N   H    sing N N 215 
ALA   N   H2   sing N N 216 
ALA   CA  C    sing N N 217 
ALA   CA  CB   sing N N 218 
ALA   CA  HA   sing N N 219 
ALA   C   O    doub N N 220 
ALA   C   OXT  sing N N 221 
ALA   CB  HB1  sing N N 222 
ALA   CB  HB2  sing N N 223 
ALA   CB  HB3  sing N N 224 
ALA   OXT HXT  sing N N 225 
ARG   N   CA   sing N N 226 
ARG   N   H    sing N N 227 
ARG   N   H2   sing N N 228 
ARG   CA  C    sing N N 229 
ARG   CA  CB   sing N N 230 
ARG   CA  HA   sing N N 231 
ARG   C   O    doub N N 232 
ARG   C   OXT  sing N N 233 
ARG   CB  CG   sing N N 234 
ARG   CB  HB2  sing N N 235 
ARG   CB  HB3  sing N N 236 
ARG   CG  CD   sing N N 237 
ARG   CG  HG2  sing N N 238 
ARG   CG  HG3  sing N N 239 
ARG   CD  NE   sing N N 240 
ARG   CD  HD2  sing N N 241 
ARG   CD  HD3  sing N N 242 
ARG   NE  CZ   sing N N 243 
ARG   NE  HE   sing N N 244 
ARG   CZ  NH1  sing N N 245 
ARG   CZ  NH2  doub N N 246 
ARG   NH1 HH11 sing N N 247 
ARG   NH1 HH12 sing N N 248 
ARG   NH2 HH21 sing N N 249 
ARG   NH2 HH22 sing N N 250 
ARG   OXT HXT  sing N N 251 
ASN   N   CA   sing N N 252 
ASN   N   H    sing N N 253 
ASN   N   H2   sing N N 254 
ASN   CA  C    sing N N 255 
ASN   CA  CB   sing N N 256 
ASN   CA  HA   sing N N 257 
ASN   C   O    doub N N 258 
ASN   C   OXT  sing N N 259 
ASN   CB  CG   sing N N 260 
ASN   CB  HB2  sing N N 261 
ASN   CB  HB3  sing N N 262 
ASN   CG  OD1  doub N N 263 
ASN   CG  ND2  sing N N 264 
ASN   ND2 HD21 sing N N 265 
ASN   ND2 HD22 sing N N 266 
ASN   OXT HXT  sing N N 267 
ASP   N   CA   sing N N 268 
ASP   N   H    sing N N 269 
ASP   N   H2   sing N N 270 
ASP   CA  C    sing N N 271 
ASP   CA  CB   sing N N 272 
ASP   CA  HA   sing N N 273 
ASP   C   O    doub N N 274 
ASP   C   OXT  sing N N 275 
ASP   CB  CG   sing N N 276 
ASP   CB  HB2  sing N N 277 
ASP   CB  HB3  sing N N 278 
ASP   CG  OD1  doub N N 279 
ASP   CG  OD2  sing N N 280 
ASP   OD2 HD2  sing N N 281 
ASP   OXT HXT  sing N N 282 
CYS   N   CA   sing N N 283 
CYS   N   H    sing N N 284 
CYS   N   H2   sing N N 285 
CYS   CA  C    sing N N 286 
CYS   CA  CB   sing N N 287 
CYS   CA  HA   sing N N 288 
CYS   C   O    doub N N 289 
CYS   C   OXT  sing N N 290 
CYS   CB  SG   sing N N 291 
CYS   CB  HB2  sing N N 292 
CYS   CB  HB3  sing N N 293 
CYS   SG  HG   sing N N 294 
CYS   OXT HXT  sing N N 295 
DTV   S1  C1   sing N N 296 
DTV   S1  H1   sing N N 297 
DTV   C1  C2   sing N N 298 
DTV   C1  H1C1 sing N N 299 
DTV   C1  H1C2 sing N N 300 
DTV   C2  O2   sing N N 301 
DTV   C2  C3   sing N N 302 
DTV   C2  H2   sing N N 303 
DTV   O2  HA   sing N N 304 
DTV   C3  O3   sing N N 305 
DTV   C3  C4   sing N N 306 
DTV   C3  H3   sing N N 307 
DTV   O3  HB   sing N N 308 
DTV   C4  S4   sing N N 309 
DTV   C4  H4C1 sing N N 310 
DTV   C4  H4C2 sing N N 311 
DTV   S4  H4   sing N N 312 
GLN   N   CA   sing N N 313 
GLN   N   H    sing N N 314 
GLN   N   H2   sing N N 315 
GLN   CA  C    sing N N 316 
GLN   CA  CB   sing N N 317 
GLN   CA  HA   sing N N 318 
GLN   C   O    doub N N 319 
GLN   C   OXT  sing N N 320 
GLN   CB  CG   sing N N 321 
GLN   CB  HB2  sing N N 322 
GLN   CB  HB3  sing N N 323 
GLN   CG  CD   sing N N 324 
GLN   CG  HG2  sing N N 325 
GLN   CG  HG3  sing N N 326 
GLN   CD  OE1  doub N N 327 
GLN   CD  NE2  sing N N 328 
GLN   NE2 HE21 sing N N 329 
GLN   NE2 HE22 sing N N 330 
GLN   OXT HXT  sing N N 331 
GLU   N   CA   sing N N 332 
GLU   N   H    sing N N 333 
GLU   N   H2   sing N N 334 
GLU   CA  C    sing N N 335 
GLU   CA  CB   sing N N 336 
GLU   CA  HA   sing N N 337 
GLU   C   O    doub N N 338 
GLU   C   OXT  sing N N 339 
GLU   CB  CG   sing N N 340 
GLU   CB  HB2  sing N N 341 
GLU   CB  HB3  sing N N 342 
GLU   CG  CD   sing N N 343 
GLU   CG  HG2  sing N N 344 
GLU   CG  HG3  sing N N 345 
GLU   CD  OE1  doub N N 346 
GLU   CD  OE2  sing N N 347 
GLU   OE2 HE2  sing N N 348 
GLU   OXT HXT  sing N N 349 
GLY   N   CA   sing N N 350 
GLY   N   H    sing N N 351 
GLY   N   H2   sing N N 352 
GLY   CA  C    sing N N 353 
GLY   CA  HA2  sing N N 354 
GLY   CA  HA3  sing N N 355 
GLY   C   O    doub N N 356 
GLY   C   OXT  sing N N 357 
GLY   OXT HXT  sing N N 358 
HIS   N   CA   sing N N 359 
HIS   N   H    sing N N 360 
HIS   N   H2   sing N N 361 
HIS   CA  C    sing N N 362 
HIS   CA  CB   sing N N 363 
HIS   CA  HA   sing N N 364 
HIS   C   O    doub N N 365 
HIS   C   OXT  sing N N 366 
HIS   CB  CG   sing N N 367 
HIS   CB  HB2  sing N N 368 
HIS   CB  HB3  sing N N 369 
HIS   CG  ND1  sing Y N 370 
HIS   CG  CD2  doub Y N 371 
HIS   ND1 CE1  doub Y N 372 
HIS   ND1 HD1  sing N N 373 
HIS   CD2 NE2  sing Y N 374 
HIS   CD2 HD2  sing N N 375 
HIS   CE1 NE2  sing Y N 376 
HIS   CE1 HE1  sing N N 377 
HIS   NE2 HE2  sing N N 378 
HIS   OXT HXT  sing N N 379 
HOH   O   H1   sing N N 380 
HOH   O   H2   sing N N 381 
ILE   N   CA   sing N N 382 
ILE   N   H    sing N N 383 
ILE   N   H2   sing N N 384 
ILE   CA  C    sing N N 385 
ILE   CA  CB   sing N N 386 
ILE   CA  HA   sing N N 387 
ILE   C   O    doub N N 388 
ILE   C   OXT  sing N N 389 
ILE   CB  CG1  sing N N 390 
ILE   CB  CG2  sing N N 391 
ILE   CB  HB   sing N N 392 
ILE   CG1 CD1  sing N N 393 
ILE   CG1 HG12 sing N N 394 
ILE   CG1 HG13 sing N N 395 
ILE   CG2 HG21 sing N N 396 
ILE   CG2 HG22 sing N N 397 
ILE   CG2 HG23 sing N N 398 
ILE   CD1 HD11 sing N N 399 
ILE   CD1 HD12 sing N N 400 
ILE   CD1 HD13 sing N N 401 
ILE   OXT HXT  sing N N 402 
LEU   N   CA   sing N N 403 
LEU   N   H    sing N N 404 
LEU   N   H2   sing N N 405 
LEU   CA  C    sing N N 406 
LEU   CA  CB   sing N N 407 
LEU   CA  HA   sing N N 408 
LEU   C   O    doub N N 409 
LEU   C   OXT  sing N N 410 
LEU   CB  CG   sing N N 411 
LEU   CB  HB2  sing N N 412 
LEU   CB  HB3  sing N N 413 
LEU   CG  CD1  sing N N 414 
LEU   CG  CD2  sing N N 415 
LEU   CG  HG   sing N N 416 
LEU   CD1 HD11 sing N N 417 
LEU   CD1 HD12 sing N N 418 
LEU   CD1 HD13 sing N N 419 
LEU   CD2 HD21 sing N N 420 
LEU   CD2 HD22 sing N N 421 
LEU   CD2 HD23 sing N N 422 
LEU   OXT HXT  sing N N 423 
LYS   N   CA   sing N N 424 
LYS   N   H    sing N N 425 
LYS   N   H2   sing N N 426 
LYS   CA  C    sing N N 427 
LYS   CA  CB   sing N N 428 
LYS   CA  HA   sing N N 429 
LYS   C   O    doub N N 430 
LYS   C   OXT  sing N N 431 
LYS   CB  CG   sing N N 432 
LYS   CB  HB2  sing N N 433 
LYS   CB  HB3  sing N N 434 
LYS   CG  CD   sing N N 435 
LYS   CG  HG2  sing N N 436 
LYS   CG  HG3  sing N N 437 
LYS   CD  CE   sing N N 438 
LYS   CD  HD2  sing N N 439 
LYS   CD  HD3  sing N N 440 
LYS   CE  NZ   sing N N 441 
LYS   CE  HE2  sing N N 442 
LYS   CE  HE3  sing N N 443 
LYS   NZ  HZ1  sing N N 444 
LYS   NZ  HZ2  sing N N 445 
LYS   NZ  HZ3  sing N N 446 
LYS   OXT HXT  sing N N 447 
MET   N   CA   sing N N 448 
MET   N   H    sing N N 449 
MET   N   H2   sing N N 450 
MET   CA  C    sing N N 451 
MET   CA  CB   sing N N 452 
MET   CA  HA   sing N N 453 
MET   C   O    doub N N 454 
MET   C   OXT  sing N N 455 
MET   CB  CG   sing N N 456 
MET   CB  HB2  sing N N 457 
MET   CB  HB3  sing N N 458 
MET   CG  SD   sing N N 459 
MET   CG  HG2  sing N N 460 
MET   CG  HG3  sing N N 461 
MET   SD  CE   sing N N 462 
MET   CE  HE1  sing N N 463 
MET   CE  HE2  sing N N 464 
MET   CE  HE3  sing N N 465 
MET   OXT HXT  sing N N 466 
PHE   N   CA   sing N N 467 
PHE   N   H    sing N N 468 
PHE   N   H2   sing N N 469 
PHE   CA  C    sing N N 470 
PHE   CA  CB   sing N N 471 
PHE   CA  HA   sing N N 472 
PHE   C   O    doub N N 473 
PHE   C   OXT  sing N N 474 
PHE   CB  CG   sing N N 475 
PHE   CB  HB2  sing N N 476 
PHE   CB  HB3  sing N N 477 
PHE   CG  CD1  doub Y N 478 
PHE   CG  CD2  sing Y N 479 
PHE   CD1 CE1  sing Y N 480 
PHE   CD1 HD1  sing N N 481 
PHE   CD2 CE2  doub Y N 482 
PHE   CD2 HD2  sing N N 483 
PHE   CE1 CZ   doub Y N 484 
PHE   CE1 HE1  sing N N 485 
PHE   CE2 CZ   sing Y N 486 
PHE   CE2 HE2  sing N N 487 
PHE   CZ  HZ   sing N N 488 
PHE   OXT HXT  sing N N 489 
PRO   N   CA   sing N N 490 
PRO   N   CD   sing N N 491 
PRO   N   H    sing N N 492 
PRO   CA  C    sing N N 493 
PRO   CA  CB   sing N N 494 
PRO   CA  HA   sing N N 495 
PRO   C   O    doub N N 496 
PRO   C   OXT  sing N N 497 
PRO   CB  CG   sing N N 498 
PRO   CB  HB2  sing N N 499 
PRO   CB  HB3  sing N N 500 
PRO   CG  CD   sing N N 501 
PRO   CG  HG2  sing N N 502 
PRO   CG  HG3  sing N N 503 
PRO   CD  HD2  sing N N 504 
PRO   CD  HD3  sing N N 505 
PRO   OXT HXT  sing N N 506 
SER   N   CA   sing N N 507 
SER   N   H    sing N N 508 
SER   N   H2   sing N N 509 
SER   CA  C    sing N N 510 
SER   CA  CB   sing N N 511 
SER   CA  HA   sing N N 512 
SER   C   O    doub N N 513 
SER   C   OXT  sing N N 514 
SER   CB  OG   sing N N 515 
SER   CB  HB2  sing N N 516 
SER   CB  HB3  sing N N 517 
SER   OG  HG   sing N N 518 
SER   OXT HXT  sing N N 519 
THR   N   CA   sing N N 520 
THR   N   H    sing N N 521 
THR   N   H2   sing N N 522 
THR   CA  C    sing N N 523 
THR   CA  CB   sing N N 524 
THR   CA  HA   sing N N 525 
THR   C   O    doub N N 526 
THR   C   OXT  sing N N 527 
THR   CB  OG1  sing N N 528 
THR   CB  CG2  sing N N 529 
THR   CB  HB   sing N N 530 
THR   OG1 HG1  sing N N 531 
THR   CG2 HG21 sing N N 532 
THR   CG2 HG22 sing N N 533 
THR   CG2 HG23 sing N N 534 
THR   OXT HXT  sing N N 535 
TRP   N   CA   sing N N 536 
TRP   N   H    sing N N 537 
TRP   N   H2   sing N N 538 
TRP   CA  C    sing N N 539 
TRP   CA  CB   sing N N 540 
TRP   CA  HA   sing N N 541 
TRP   C   O    doub N N 542 
TRP   C   OXT  sing N N 543 
TRP   CB  CG   sing N N 544 
TRP   CB  HB2  sing N N 545 
TRP   CB  HB3  sing N N 546 
TRP   CG  CD1  doub Y N 547 
TRP   CG  CD2  sing Y N 548 
TRP   CD1 NE1  sing Y N 549 
TRP   CD1 HD1  sing N N 550 
TRP   CD2 CE2  doub Y N 551 
TRP   CD2 CE3  sing Y N 552 
TRP   NE1 CE2  sing Y N 553 
TRP   NE1 HE1  sing N N 554 
TRP   CE2 CZ2  sing Y N 555 
TRP   CE3 CZ3  doub Y N 556 
TRP   CE3 HE3  sing N N 557 
TRP   CZ2 CH2  doub Y N 558 
TRP   CZ2 HZ2  sing N N 559 
TRP   CZ3 CH2  sing Y N 560 
TRP   CZ3 HZ3  sing N N 561 
TRP   CH2 HH2  sing N N 562 
TRP   OXT HXT  sing N N 563 
TYR   N   CA   sing N N 564 
TYR   N   H    sing N N 565 
TYR   N   H2   sing N N 566 
TYR   CA  C    sing N N 567 
TYR   CA  CB   sing N N 568 
TYR   CA  HA   sing N N 569 
TYR   C   O    doub N N 570 
TYR   C   OXT  sing N N 571 
TYR   CB  CG   sing N N 572 
TYR   CB  HB2  sing N N 573 
TYR   CB  HB3  sing N N 574 
TYR   CG  CD1  doub Y N 575 
TYR   CG  CD2  sing Y N 576 
TYR   CD1 CE1  sing Y N 577 
TYR   CD1 HD1  sing N N 578 
TYR   CD2 CE2  doub Y N 579 
TYR   CD2 HD2  sing N N 580 
TYR   CE1 CZ   doub Y N 581 
TYR   CE1 HE1  sing N N 582 
TYR   CE2 CZ   sing Y N 583 
TYR   CE2 HE2  sing N N 584 
TYR   CZ  OH   sing N N 585 
TYR   OH  HH   sing N N 586 
TYR   OXT HXT  sing N N 587 
VAL   N   CA   sing N N 588 
VAL   N   H    sing N N 589 
VAL   N   H2   sing N N 590 
VAL   CA  C    sing N N 591 
VAL   CA  CB   sing N N 592 
VAL   CA  HA   sing N N 593 
VAL   C   O    doub N N 594 
VAL   C   OXT  sing N N 595 
VAL   CB  CG1  sing N N 596 
VAL   CB  CG2  sing N N 597 
VAL   CB  HB   sing N N 598 
VAL   CG1 HG11 sing N N 599 
VAL   CG1 HG12 sing N N 600 
VAL   CG1 HG13 sing N N 601 
VAL   CG2 HG21 sing N N 602 
VAL   CG2 HG22 sing N N 603 
VAL   CG2 HG23 sing N N 604 
VAL   OXT HXT  sing N N 605 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Biotechnology and Biological Sciences Research Council (BBSRC)' 'United Kingdom' BB/M009513/1 1 
'Ministero dell Universita e della Ricerca'                      Italy            ?            2 
# 
_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   6H95 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8RKY 
_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]   0.005476 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000198 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.008407 
_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]   0.017342 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
H 1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N 7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O 8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S 16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.018   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
_atom_site.pdbx_tls_group_id 
ATOM   1    N N   . GLY   A 1 1   ? 42.459 -56.335 -5.796  1.000 85.626  0 0   GLY   BBB N   1 ? 21 
ATOM   2    C CA  . GLY   A 1 1   ? 41.447 -55.241 -5.858  1.000 83.223  0 0   GLY   BBB CA  1 ? 21 
ATOM   3    C C   . GLY   A 1 1   ? 41.454 -54.556 -7.215  1.000 78.720  0 0   GLY   BBB C   1 ? 21 
ATOM   4    O O   . GLY   A 1 1   ? 42.557 -54.344 -7.766  1.000 77.409  0 0   GLY   BBB O   1 ? 21 
ATOM   5    N N   . MET   A 1 2   ? 40.273 -54.223 -7.744  1.000 76.035  0 1   MET   BBB N   1 ? 21 
ATOM   6    C CA  . MET   A 1 2   ? 40.106 -53.513 -9.040  1.000 75.032  0 1   MET   BBB CA  1 ? 21 
ATOM   7    C C   . MET   A 1 2   ? 40.895 -52.196 -9.026  1.000 71.167  0 1   MET   BBB C   1 ? 21 
ATOM   8    O O   . MET   A 1 2   ? 41.719 -52.000 -9.933  1.000 68.842  0 1   MET   BBB O   1 ? 21 
ATOM   9    C CB  . MET   A 1 2   ? 38.630 -53.221 -9.328  1.000 77.837  0 1   MET   BBB CB  1 ? 21 
ATOM   10   C CG  . MET   A 1 2   ? 38.381 -52.750 -10.743 1.000 77.926  0 1   MET   BBB CG  1 ? 21 
ATOM   11   S SD  . MET   A 1 2   ? 36.623 -52.492 -11.087 1.000 85.406  0 1   MET   BBB SD  1 ? 21 
ATOM   12   C CE  . MET   A 1 2   ? 36.203 -51.298 -9.817  1.000 84.276  0 1   MET   BBB CE  1 ? 21 
ATOM   13   N N   . TYR   A 1 3   ? 40.679 -51.347 -8.019  1.000 69.510  0 2   TYR   BBB N   1 ? 21 
ATOM   14   C CA  . TYR   A 1 3   ? 41.309 -50.008 -7.888  1.000 68.206  0 2   TYR   BBB CA  1 ? 21 
ATOM   15   C C   . TYR   A 1 3   ? 42.828 -50.159 -7.751  1.000 67.322  0 2   TYR   BBB C   1 ? 21 
ATOM   16   O O   . TYR   A 1 3   ? 43.557 -49.244 -8.193  1.000 66.339  0 2   TYR   BBB O   1 ? 21 
ATOM   17   C CB  . TYR   A 1 3   ? 40.658 -49.216 -6.748  1.000 69.420  0 2   TYR   BBB CB  1 ? 21 
ATOM   18   C CG  . TYR   A 1 3   ? 39.352 -48.560 -7.128  1.000 72.626  0 2   TYR   BBB CG  1 ? 21 
ATOM   19   C CD1 . TYR   A 1 3   ? 39.319 -47.270 -7.640  1.000 74.980  0 2   TYR   BBB CD1 1 ? 21 
ATOM   20   C CD2 . TYR   A 1 3   ? 38.146 -49.233 -7.013  1.000 75.989  0 2   TYR   BBB CD2 1 ? 21 
ATOM   21   C CE1 . TYR   A 1 3   ? 38.129 -46.659 -8.006  1.000 77.115  0 2   TYR   BBB CE1 1 ? 21 
ATOM   22   C CE2 . TYR   A 1 3   ? 36.947 -48.638 -7.381  1.000 79.259  0 2   TYR   BBB CE2 1 ? 21 
ATOM   23   C CZ  . TYR   A 1 3   ? 36.936 -47.347 -7.881  1.000 79.039  0 2   TYR   BBB CZ  1 ? 21 
ATOM   24   O OH  . TYR   A 1 3   ? 35.756 -46.755 -8.241  1.000 84.472  0 2   TYR   BBB OH  1 ? 21 
ATOM   25   N N   . ASP   A 1 4   ? 43.298 -51.278 -7.189  1.000 67.776  0 3   ASP   BBB N   1 ? 21 
ATOM   26   C CA  . ASP   A 1 4   ? 44.748 -51.546 -6.957  1.000 66.391  0 3   ASP   BBB CA  1 ? 21 
ATOM   27   C C   . ASP   A 1 4   ? 45.437 -51.911 -8.280  1.000 63.957  0 3   ASP   BBB C   1 ? 21 
ATOM   28   O O   . ASP   A 1 4   ? 46.611 -51.527 -8.447  1.000 61.957  0 3   ASP   BBB O   1 ? 21 
ATOM   29   C CB  . ASP   A 1 4   ? 44.956 -52.625 -5.893  1.000 70.705  0 3   ASP   BBB CB  1 ? 21 
ATOM   30   C CG  . ASP   A 1 4   ? 44.388 -52.223 -4.538  1.000 74.092  0 3   ASP   BBB CG  1 ? 21 
ATOM   31   O OD1 . ASP   A 1 4   ? 44.962 -51.286 -3.912  1.000 73.628  0 3   ASP   BBB OD1 1 ? 21 
ATOM   32   O OD2 . ASP   A 1 4   ? 43.348 -52.813 -4.148  1.000 73.781  0 3   ASP   BBB OD2 1 ? 21 
ATOM   33   N N   . ARG   A 1 5   ? 44.747 -52.611 -9.185  1.000 63.040  0 4   ARG   BBB N   1 ? 21 
ATOM   34   C CA  . ARG   A 1 5   ? 45.287 -52.991 -10.523 1.000 64.052  0 4   ARG   BBB CA  1 ? 21 
ATOM   35   C C   . ARG   A 1 5   ? 45.334 -51.768 -11.452 1.000 61.663  0 4   ARG   BBB C   1 ? 21 
ATOM   36   O O   . ARG   A 1 5   ? 46.115 -51.813 -12.416 1.000 64.029  0 4   ARG   BBB O   1 ? 21 
ATOM   37   C CB  . ARG   A 1 5   ? 44.460 -54.123 -11.146 1.000 65.616  0 4   ARG   BBB CB  1 ? 21 
ATOM   38   C CG  . ARG   A 1 5   ? 44.618 -55.456 -10.426 1.000 69.237  0 4   ARG   BBB CG  1 ? 21 
ATOM   39   C CD  . ARG   A 1 5   ? 43.957 -56.626 -11.134 1.000 70.741  0 4   ARG   BBB CD  1 ? 21 
ATOM   40   N NE  . ARG   A 1 5   ? 42.494 -56.637 -11.080 1.000 69.076  0 4   ARG   BBB NE  1 ? 21 
ATOM   41   C CZ  . ARG   A 1 5   ? 41.679 -56.153 -12.016 1.000 68.391  0 4   ARG   BBB CZ  1 ? 21 
ATOM   42   N NH1 . ARG   A 1 5   ? 42.161 -55.584 -13.108 1.000 68.132  0 4   ARG   BBB NH1 1 ? 21 
ATOM   43   N NH2 . ARG   A 1 5   ? 40.368 -56.260 -11.870 1.000 68.161  0 4   ARG   BBB NH2 1 ? 21 
ATOM   44   N N   . TRP   A 1 6   ? 44.549 -50.718 -11.171 1.000 60.075  0 5   TRP   BBB N   1 ? 21 
ATOM   45   C CA  . TRP   A 1 6   ? 44.308 -49.571 -12.098 1.000 57.596  0 5   TRP   BBB CA  1 ? 21 
ATOM   46   C C   . TRP   A 1 6   ? 45.049 -48.302 -11.662 1.000 56.921  0 5   TRP   BBB C   1 ? 21 
ATOM   47   O O   . TRP   A 1 6   ? 45.362 -47.480 -12.535 1.000 57.096  0 5   TRP   BBB O   1 ? 21 
ATOM   48   C CB  . TRP   A 1 6   ? 42.807 -49.320 -12.254 1.000 56.286  0 5   TRP   BBB CB  1 ? 21 
ATOM   49   C CG  . TRP   A 1 6   ? 42.204 -50.205 -13.299 1.000 57.789  0 5   TRP   BBB CG  1 ? 21 
ATOM   50   C CD1 . TRP   A 1 6   ? 41.635 -51.428 -13.114 1.000 58.857  0 5   TRP   BBB CD1 1 ? 21 
ATOM   51   C CD2 . TRP   A 1 6   ? 42.174 -49.963 -14.716 1.000 56.988  0 5   TRP   BBB CD2 1 ? 21 
ATOM   52   N NE1 . TRP   A 1 6   ? 41.228 -51.953 -14.311 1.000 60.148  0 5   TRP   BBB NE1 1 ? 21 
ATOM   53   C CE2 . TRP   A 1 6   ? 41.536 -51.073 -15.312 1.000 58.998  0 5   TRP   BBB CE2 1 ? 21 
ATOM   54   C CE3 . TRP   A 1 6   ? 42.599 -48.914 -15.531 1.000 56.149  0 5   TRP   BBB CE3 1 ? 21 
ATOM   55   C CZ2 . TRP   A 1 6   ? 41.312 -51.160 -16.685 1.000 58.775  0 5   TRP   BBB CZ2 1 ? 21 
ATOM   56   C CZ3 . TRP   A 1 6   ? 42.381 -49.002 -16.887 1.000 57.700  0 5   TRP   BBB CZ3 1 ? 21 
ATOM   57   C CH2 . TRP   A 1 6   ? 41.751 -50.111 -17.454 1.000 57.521  0 5   TRP   BBB CH2 1 ? 21 
ATOM   58   N N   . PHE   A 1 7   ? 45.315 -48.134 -10.365 1.000 57.831  0 6   PHE   BBB N   1 ? 21 
ATOM   59   C CA  . PHE   A 1 7   ? 45.975 -46.932 -9.794  1.000 57.392  0 6   PHE   BBB CA  1 ? 21 
ATOM   60   C C   . PHE   A 1 7   ? 47.153 -47.367 -8.916  1.000 56.576  0 6   PHE   BBB C   1 ? 21 
ATOM   61   O O   . PHE   A 1 7   ? 47.086 -48.444 -8.345  1.000 59.172  0 6   PHE   BBB O   1 ? 21 
ATOM   62   C CB  . PHE   A 1 7   ? 44.976 -46.112 -8.973  1.000 55.879  0 6   PHE   BBB CB  1 ? 21 
ATOM   63   C CG  . PHE   A 1 7   ? 43.799 -45.551 -9.726  1.000 53.369  0 6   PHE   BBB CG  1 ? 21 
ATOM   64   C CD1 . PHE   A 1 7   ? 42.643 -46.294 -9.890  1.000 52.808  0 6   PHE   BBB CD1 1 ? 21 
ATOM   65   C CD2 . PHE   A 1 7   ? 43.824 -44.258 -10.219 1.000 53.692  0 6   PHE   BBB CD2 1 ? 21 
ATOM   66   C CE1 . PHE   A 1 7   ? 41.544 -45.762 -10.550 1.000 53.496  0 6   PHE   BBB CE1 1 ? 21 
ATOM   67   C CE2 . PHE   A 1 7   ? 42.725 -43.727 -10.883 1.000 54.418  0 6   PHE   BBB CE2 1 ? 21 
ATOM   68   C CZ  . PHE   A 1 7   ? 41.592 -44.486 -11.059 1.000 54.235  0 6   PHE   BBB CZ  1 ? 21 
ATOM   69   N N   . SER   A 1 8   ? 48.193 -46.542 -8.828  1.000 57.574  0 7   SER   BBB N   1 ? 21 
ATOM   70   C CA  . SER   A 1 8   ? 49.322 -46.689 -7.875  1.000 59.812  0 7   SER   BBB CA  1 ? 21 
ATOM   71   C C   . SER   A 1 8   ? 48.831 -46.306 -6.479  1.000 64.083  0 7   SER   BBB C   1 ? 21 
ATOM   72   O O   . SER   A 1 8   ? 47.772 -45.639 -6.380  1.000 65.898  0 7   SER   BBB O   1 ? 21 
ATOM   73   C CB  . SER   A 1 8   ? 50.507 -45.858 -8.280  1.000 61.375  0 7   SER   BBB CB  1 ? 21 
ATOM   74   O OG  . SER   A 1 8   ? 50.236 -44.475 -8.155  1.000 59.110  0 7   SER   BBB OG  1 ? 21 
ATOM   75   N N   . GLN   A 1 9   ? 49.559 -46.712 -5.436  1.000 66.785  0 8   GLN   BBB N   1 ? 21 
ATOM   76   C CA  . GLN   A 1 9   ? 49.182 -46.422 -4.026  1.000 69.534  0 8   GLN   BBB CA  1 ? 21 
ATOM   77   C C   . GLN   A 1 9   ? 49.208 -44.903 -3.814  1.000 68.207  0 8   GLN   BBB C   1 ? 21 
ATOM   78   O O   . GLN   A 1 9   ? 48.306 -44.403 -3.139  1.000 68.318  0 8   GLN   BBB O   1 ? 21 
ATOM   79   C CB  . GLN   A 1 9   ? 50.083 -47.193 -3.062  1.000 72.790  0 8   GLN   BBB CB  1 ? 21 
ATOM   80   C CG  . GLN   A 1 9   ? 49.671 -48.655 -2.941  1.000 74.940  0 8   GLN   BBB CG  1 ? 21 
ATOM   81   C CD  . GLN   A 1 9   ? 50.707 -49.496 -2.235  1.000 81.309  0 8   GLN   BBB CD  1 ? 21 
ATOM   82   O OE1 . GLN   A 1 9   ? 51.206 -50.477 -2.782  1.000 86.506  0 8   GLN   BBB OE1 1 ? 21 
ATOM   83   N NE2 . GLN   A 1 9   ? 51.038 -49.124 -1.007  1.000 82.522  0 8   GLN   BBB NE2 1 ? 21 
ATOM   84   N N   . GLN   A 1 10  ? 50.180 -44.208 -4.407  1.000 68.899  0 9   GLN   BBB N   1 ? 21 
ATOM   85   C CA  . GLN   A 1 10  ? 50.323 -42.730 -4.343  1.000 72.433  0 9   GLN   BBB CA  1 ? 21 
ATOM   86   C C   . GLN   A 1 10  ? 49.072 -42.058 -4.934  1.000 71.412  0 9   GLN   BBB C   1 ? 21 
ATOM   87   O O   . GLN   A 1 10  ? 48.622 -41.047 -4.361  1.000 71.288  0 9   GLN   BBB O   1 ? 21 
ATOM   88   C CB  . GLN   A 1 10  ? 51.593 -42.292 -5.071  1.000 76.919  0 9   GLN   BBB CB  1 ? 21 
ATOM   89   C CG  . GLN   A 1 10  ? 51.908 -40.816 -4.894  1.000 83.566  0 9   GLN   BBB CG  1 ? 21 
ATOM   90   C CD  . GLN   A 1 10  ? 53.172 -40.413 -5.614  1.000 90.154  0 9   GLN   BBB CD  1 ? 21 
ATOM   91   O OE1 . GLN   A 1 10  ? 53.913 -41.251 -6.129  1.000 91.242  0 9   GLN   BBB OE1 1 ? 21 
ATOM   92   N NE2 . GLN   A 1 10  ? 53.429 -39.112 -5.656  1.000 93.418  0 9   GLN   BBB NE2 1 ? 21 
ATOM   93   N N   . GLU   A 1 11  ? 48.537 -42.596 -6.034  1.000 68.034  0 10  GLU   BBB N   1 ? 21 
ATOM   94   C CA  . GLU   A 1 11  ? 47.316 -42.079 -6.712  1.000 65.045  0 10  GLU   BBB CA  1 ? 21 
ATOM   95   C C   . GLU   A 1 11  ? 46.081 -42.373 -5.860  1.000 61.586  0 10  GLU   BBB C   1 ? 21 
ATOM   96   O O   . GLU   A 1 11  ? 45.204 -41.514 -5.815  1.000 60.765  0 10  GLU   BBB O   1 ? 21 
ATOM   97   C CB  . GLU   A 1 11  ? 47.153 -42.700 -8.103  1.000 64.451  0 10  GLU   BBB CB  1 ? 21 
ATOM   98   C CG  . GLU   A 1 11  ? 48.131 -42.157 -9.135  1.000 64.924  0 10  GLU   BBB CG  1 ? 21 
ATOM   99   C CD  . GLU   A 1 11  ? 48.085 -42.871 -10.478 1.000 63.513  0 10  GLU   BBB CD  1 ? 21 
ATOM   100  O OE1 . GLU   A 1 11  ? 47.607 -44.020 -10.524 1.000 63.147  0 10  GLU   BBB OE1 1 ? 21 
ATOM   101  O OE2 . GLU   A 1 11  ? 48.511 -42.275 -11.470 1.000 64.134  0 10  GLU   BBB OE2 1 ? 21 
ATOM   102  N N   . LEU   A 1 12  ? 46.003 -43.549 -5.238  1.000 62.093  0 11  LEU   BBB N   1 ? 21 
ATOM   103  C CA  . LEU   A 1 12  ? 44.834 -43.979 -4.423  1.000 65.806  0 11  LEU   BBB CA  1 ? 21 
ATOM   104  C C   . LEU   A 1 12  ? 44.700 -43.100 -3.166  1.000 68.991  0 11  LEU   BBB C   1 ? 21 
ATOM   105  O O   . LEU   A 1 12  ? 43.575 -43.017 -2.625  1.000 69.201  0 11  LEU   BBB O   1 ? 21 
ATOM   106  C CB  . LEU   A 1 12  ? 44.986 -45.453 -4.041  1.000 66.799  0 11  LEU   BBB CB  1 ? 21 
ATOM   107  C CG  . LEU   A 1 12  ? 44.675 -46.456 -5.148  1.000 67.245  0 11  LEU   BBB CG  1 ? 21 
ATOM   108  C CD1 . LEU   A 1 12  ? 44.992 -47.875 -4.689  1.000 67.939  0 11  LEU   BBB CD1 1 ? 21 
ATOM   109  C CD2 . LEU   A 1 12  ? 43.224 -46.348 -5.594  1.000 67.386  0 11  LEU   BBB CD2 1 ? 21 
ATOM   110  N N   . GLN   A 1 13  ? 45.792 -42.469 -2.721  1.000 71.245  0 12  GLN   BBB N   1 ? 21 
ATOM   111  C CA  . GLN   A 1 13  ? 45.797 -41.513 -1.578  1.000 76.706  0 12  GLN   BBB CA  1 ? 21 
ATOM   112  C C   . GLN   A 1 13  ? 45.121 -40.193 -1.986  1.000 76.663  0 12  GLN   BBB C   1 ? 21 
ATOM   113  O O   . GLN   A 1 13  ? 44.514 -39.552 -1.117  1.000 74.312  0 12  GLN   BBB O   1 ? 21 
ATOM   114  C CB  . GLN   A 1 13  ? 47.227 -41.245 -1.093  1.000 78.511  0 12  GLN   BBB CB  1 ? 21 
ATOM   115  C CG  . GLN   A 1 13  ? 47.837 -42.397 -0.309  1.000 81.212  0 12  GLN   BBB CG  1 ? 21 
ATOM   116  C CD  . GLN   A 1 13  ? 49.305 -42.182 -0.028  1.000 84.313  0 12  GLN   BBB CD  1 ? 21 
ATOM   117  O OE1 . GLN   A 1 13  ? 49.809 -41.057 -0.063  1.000 84.881  0 12  GLN   BBB OE1 1 ? 21 
ATOM   118  N NE2 . GLN   A 1 13  ? 50.007 -43.269 0.261   1.000 86.373  0 12  GLN   BBB NE2 1 ? 21 
ATOM   119  N N   . VAL   A 1 14  ? 45.239 -39.805 -3.260  1.000 77.058  0 13  VAL   BBB N   1 ? 21 
ATOM   120  C CA  . VAL   A 1 14  ? 44.823 -38.478 -3.807  1.000 78.363  0 13  VAL   BBB CA  1 ? 21 
ATOM   121  C C   . VAL   A 1 14  ? 43.446 -38.602 -4.475  1.000 75.712  0 13  VAL   BBB C   1 ? 21 
ATOM   122  O O   . VAL   A 1 14  ? 42.769 -37.570 -4.595  1.000 80.510  0 13  VAL   BBB O   1 ? 21 
ATOM   123  C CB  . VAL   A 1 14  ? 45.892 -37.950 -4.788  1.000 81.390  0 13  VAL   BBB CB  1 ? 21 
ATOM   124  C CG1 . VAL   A 1 14  ? 45.504 -36.627 -5.435  1.000 85.546  0 13  VAL   BBB CG1 1 ? 21 
ATOM   125  C CG2 . VAL   A 1 14  ? 47.249 -37.821 -4.107  1.000 82.606  0 13  VAL   BBB CG2 1 ? 21 
ATOM   126  N N   . LEU   A 1 15  ? 43.044 -39.809 -4.886  1.000 82.757  0 14  LEU   BBB N   1 ? 22 
ATOM   127  C CA  . LEU   A 1 15  ? 41.799 -40.076 -5.653  1.000 79.029  0 14  LEU   BBB CA  1 ? 22 
ATOM   128  C C   . LEU   A 1 15  ? 40.601 -40.064 -4.712  1.000 75.903  0 14  LEU   BBB C   1 ? 22 
ATOM   129  O O   . LEU   A 1 15  ? 40.408 -41.015 -3.966  1.000 75.539  0 14  LEU   BBB O   1 ? 22 
ATOM   130  C CB  . LEU   A 1 15  ? 41.921 -41.434 -6.354  1.000 77.643  0 14  LEU   BBB CB  1 ? 22 
ATOM   131  C CG  . LEU   A 1 15  ? 40.706 -41.882 -7.169  1.000 76.004  0 14  LEU   BBB CG  1 ? 22 
ATOM   132  C CD1 . LEU   A 1 15  ? 40.502 -40.970 -8.368  1.000 75.755  0 14  LEU   BBB CD1 1 ? 22 
ATOM   133  C CD2 . LEU   A 1 15  ? 40.861 -43.327 -7.644  1.000 77.010  0 14  LEU   BBB CD2 1 ? 22 
ATOM   134  N N   . PRO   A 1 16  ? 39.739 -39.021 -4.750  1.000 74.392  0 15  PRO   BBB N   1 ? 22 
ATOM   135  C CA  . PRO   A 1 16  ? 38.543 -38.981 -3.909  1.000 73.789  0 15  PRO   BBB CA  1 ? 22 
ATOM   136  C C   . PRO   A 1 16  ? 37.647 -40.223 -4.019  1.000 72.087  0 15  PRO   BBB C   1 ? 22 
ATOM   137  O O   . PRO   A 1 16  ? 37.064 -40.586 -3.020  1.000 70.660  0 15  PRO   BBB O   1 ? 22 
ATOM   138  C CB  . PRO   A 1 16  ? 37.804 -37.725 -4.399  1.000 73.178  0 15  PRO   BBB CB  1 ? 22 
ATOM   139  C CG  . PRO   A 1 16  ? 38.911 -36.834 -4.904  1.000 73.807  0 15  PRO   BBB CG  1 ? 22 
ATOM   140  C CD  . PRO   A 1 16  ? 39.875 -37.799 -5.564  1.000 74.874  0 15  PRO   BBB CD  1 ? 22 
ATOM   141  N N   . PHE   A 1 17  ? 37.567 -40.860 -5.188  1.000 71.031  0 16  PHE   BBB N   1 ? 22 
ATOM   142  C CA  . PHE   A 1 17  ? 36.699 -42.052 -5.414  1.000 72.000  0 16  PHE   BBB CA  1 ? 22 
ATOM   143  C C   . PHE   A 1 17  ? 37.143 -43.232 -4.534  1.000 74.185  0 16  PHE   BBB C   1 ? 22 
ATOM   144  O O   . PHE   A 1 17  ? 36.330 -44.138 -4.324  1.000 75.322  0 16  PHE   BBB O   1 ? 22 
ATOM   145  C CB  . PHE   A 1 17  ? 36.680 -42.460 -6.890  1.000 70.632  0 16  PHE   BBB CB  1 ? 22 
ATOM   146  C CG  . PHE   A 1 17  ? 35.615 -41.785 -7.714  1.000 69.490  0 16  PHE   BBB CG  1 ? 22 
ATOM   147  C CD1 . PHE   A 1 17  ? 34.284 -41.873 -7.337  1.000 69.863  0 16  PHE   BBB CD1 1 ? 22 
ATOM   148  C CD2 . PHE   A 1 17  ? 35.927 -41.094 -8.876  1.000 68.643  0 16  PHE   BBB CD2 1 ? 22 
ATOM   149  C CE1 . PHE   A 1 17  ? 33.288 -41.272 -8.091  1.000 69.803  0 16  PHE   BBB CE1 1 ? 22 
ATOM   150  C CE2 . PHE   A 1 17  ? 34.931 -40.482 -9.621  1.000 68.336  0 16  PHE   BBB CE2 1 ? 22 
ATOM   151  C CZ  . PHE   A 1 17  ? 33.613 -40.566 -9.227  1.000 69.478  0 16  PHE   BBB CZ  1 ? 22 
ATOM   152  N N   . ALA   A 1 18  ? 38.406 -43.243 -4.091  1.000 76.915  0 17  ALA   BBB N   1 ? 22 
ATOM   153  C CA  . ALA   A 1 18  ? 39.004 -44.299 -3.237  1.000 81.157  0 17  ALA   BBB CA  1 ? 22 
ATOM   154  C C   . ALA   A 1 18  ? 38.409 -44.238 -1.819  1.000 86.153  0 17  ALA   BBB C   1 ? 22 
ATOM   155  O O   . ALA   A 1 18  ? 38.064 -45.301 -1.278  1.000 88.520  0 17  ALA   BBB O   1 ? 22 
ATOM   156  C CB  . ALA   A 1 18  ? 40.506 -44.150 -3.220  1.000 80.695  0 17  ALA   BBB CB  1 ? 22 
ATOM   157  N N   . GLU   A 1 19  ? 38.315 -43.030 -1.256  1.000 89.161  0 18  GLU   BBB N   1 ? 22 
ATOM   158  C CA  . GLU   A 1 19  ? 37.699 -42.662 0.046   1.000 92.408  0 18  GLU   BBB CA  1 ? 22 
ATOM   159  C C   . GLU   A 1 19  ? 36.214 -43.052 0.073   1.000 91.636  0 18  GLU   BBB C   1 ? 22 
ATOM   160  O O   . GLU   A 1 19  ? 35.517 -42.840 -0.928  1.000 90.939  0 18  GLU   BBB O   1 ? 22 
ATOM   161  C CB  . GLU   A 1 19  ? 37.793 -41.145 0.242   1.000 94.466  0 18  GLU   BBB CB  1 ? 22 
ATOM   162  C CG  . GLU   A 1 19  ? 39.132 -40.641 0.759   1.000 99.080  0 18  GLU   BBB CG  1 ? 22 
ATOM   163  C CD  . GLU   A 1 19  ? 39.232 -39.124 0.842   1.000 103.111 0 18  GLU   BBB CD  1 ? 22 
ATOM   164  O OE1 . GLU   A 1 19  ? 38.614 -38.435 -0.017  1.000 100.212 0 18  GLU   BBB OE1 1 ? 22 
ATOM   165  O OE2 . GLU   A 1 19  ? 39.931 -38.613 1.771   1.000 107.849 0 18  GLU   BBB OE2 1 ? 22 
ATOM   166  N N   . GLN   A 1 20  ? 35.751 -43.623 1.187   1.000 92.091  0 19  GLN   BBB N   1 ? 22 
ATOM   167  C CA  . GLN   A 1 20  ? 34.307 -43.777 1.519   1.000 90.739  0 19  GLN   BBB CA  1 ? 22 
ATOM   168  C C   . GLN   A 1 20  ? 33.690 -42.384 1.680   1.000 86.821  0 19  GLN   BBB C   1 ? 22 
ATOM   169  O O   . GLN   A 1 20  ? 34.343 -41.547 2.328   1.000 83.823  0 19  GLN   BBB O   1 ? 22 
ATOM   170  C CB  . GLN   A 1 20  ? 34.112 -44.477 2.868   1.000 94.653  0 19  GLN   BBB CB  1 ? 22 
ATOM   171  C CG  . GLN   A 1 20  ? 34.370 -45.981 2.908   1.000 96.914  0 19  GLN   BBB CG  1 ? 22 
ATOM   172  C CD  . GLN   A 1 20  ? 34.033 -46.575 4.261   1.000 98.623  0 19  GLN   BBB CD  1 ? 22 
ATOM   173  O OE1 . GLN   A 1 20  ? 34.201 -45.955 5.311   1.000 99.727  0 19  GLN   BBB OE1 1 ? 22 
ATOM   174  N NE2 . GLN   A 1 20  ? 33.544 -47.804 4.252   1.000 99.955  0 19  GLN   BBB NE2 1 ? 22 
ATOM   175  N N   . ASP   A 1 21  ? 32.489 -42.152 1.140   1.000 92.222  0 20  ASP   BBB N   1 ? 23 
ATOM   176  C CA  . ASP   A 1 21  ? 31.801 -40.833 1.174   1.000 90.215  0 20  ASP   BBB CA  1 ? 23 
ATOM   177  C C   . ASP   A 1 21  ? 30.342 -41.053 0.774   1.000 87.090  0 20  ASP   BBB C   1 ? 23 
ATOM   178  O O   . ASP   A 1 21  ? 30.058 -41.208 -0.442  1.000 85.628  0 20  ASP   BBB O   1 ? 23 
ATOM   179  C CB  . ASP   A 1 21  ? 32.491 -39.793 0.281   1.000 92.270  0 20  ASP   BBB CB  1 ? 23 
ATOM   180  C CG  . ASP   A 1 21  ? 32.046 -38.364 0.527   1.000 92.918  0 20  ASP   BBB CG  1 ? 23 
ATOM   181  O OD1 . ASP   A 1 21  ? 30.871 -38.163 0.884   1.000 93.236  0 20  ASP   BBB OD1 1 ? 23 
ATOM   182  O OD2 . ASP   A 1 21  ? 32.896 -37.458 0.374   1.000 94.576  0 20  ASP   BBB OD2 1 ? 23 
ATOM   183  N N   . GLU   A 1 22  ? 29.449 -41.075 1.765   1.000 86.292  0 21  GLU   BBB N   1 ? 23 
ATOM   184  C CA  . GLU   A 1 22  ? 28.015 -41.420 1.583   1.000 87.040  0 21  GLU   BBB CA  1 ? 23 
ATOM   185  C C   . GLU   A 1 22  ? 27.326 -40.321 0.761   1.000 84.305  0 21  GLU   BBB C   1 ? 23 
ATOM   186  O O   . GLU   A 1 22  ? 26.451 -40.685 -0.059  1.000 83.391  0 21  GLU   BBB O   1 ? 23 
ATOM   187  C CB  . GLU   A 1 22  ? 27.350 -41.663 2.944   1.000 90.385  0 21  GLU   BBB CB  1 ? 23 
ATOM   188  C CG  . GLU   A 1 22  ? 25.908 -42.140 2.866   1.000 94.832  0 21  GLU   BBB CG  1 ? 23 
ATOM   189  C CD  . GLU   A 1 22  ? 25.659 -43.403 2.055   1.000 98.747  0 21  GLU   BBB CD  1 ? 23 
ATOM   190  O OE1 . GLU   A 1 22  ? 26.635 -44.138 1.764   1.000 98.651  0 21  GLU   BBB OE1 1 ? 23 
ATOM   191  O OE2 . GLU   A 1 22  ? 24.486 -43.642 1.706   1.000 103.659 0 21  GLU   BBB OE2 1 ? 23 
ATOM   192  N N   . GLN   A 1 23  ? 27.708 -39.051 0.961   1.000 81.386  0 22  GLN   BBB N   1 ? 23 
ATOM   193  C CA  . GLN   A 1 23  ? 27.160 -37.880 0.220   1.000 81.776  0 22  GLN   BBB CA  1 ? 23 
ATOM   194  C C   . GLN   A 1 23  ? 27.461 -38.071 -1.276  1.000 77.793  0 22  GLN   BBB C   1 ? 23 
ATOM   195  O O   . GLN   A 1 23  ? 26.516 -37.978 -2.081  1.000 75.956  0 22  GLN   BBB O   1 ? 23 
ATOM   196  C CB  . GLN   A 1 23  ? 27.752 -36.568 0.760   1.000 84.872  0 22  GLN   BBB CB  1 ? 23 
ATOM   197  C CG  . GLN   A 1 23  ? 27.047 -35.307 0.247   1.000 87.299  0 22  GLN   BBB CG  1 ? 23 
ATOM   198  C CD  . GLN   A 1 23  ? 27.960 -34.102 0.166   1.000 89.357  0 22  GLN   BBB CD  1 ? 23 
ATOM   199  O OE1 . GLN   A 1 23  ? 28.601 -33.730 1.142   1.000 93.988  0 22  GLN   BBB OE1 1 ? 23 
ATOM   200  N NE2 . GLN   A 1 23  ? 28.036 -33.477 -0.998  1.000 87.868  0 22  GLN   BBB NE2 1 ? 23 
ATOM   201  N N   . ARG   A 1 24  ? 28.722 -38.358 -1.621  1.000 74.997  0 23  ARG   BBB N   1 ? 23 
ATOM   202  C CA  . ARG   A 1 24  ? 29.175 -38.564 -3.021  1.000 74.812  0 23  ARG   BBB CA  1 ? 23 
ATOM   203  C C   . ARG   A 1 24  ? 28.401 -39.724 -3.662  1.000 73.393  0 23  ARG   BBB C   1 ? 23 
ATOM   204  O O   . ARG   A 1 24  ? 28.009 -39.585 -4.831  1.000 72.735  0 23  ARG   BBB O   1 ? 23 
ATOM   205  C CB  . ARG   A 1 24  ? 30.683 -38.794 -3.092  1.000 77.031  0 23  ARG   BBB CB  1 ? 23 
ATOM   206  C CG  . ARG   A 1 24  ? 31.161 -39.072 -4.513  1.000 79.883  0 23  ARG   BBB CG  1 ? 23 
ATOM   207  C CD  . ARG   A 1 24  ? 32.665 -39.135 -4.691  1.000 84.301  0 23  ARG   BBB CD  1 ? 23 
ATOM   208  N NE  . ARG   A 1 24  ? 33.370 -39.911 -3.689  1.000 87.959  0 23  ARG   BBB NE  1 ? 23 
ATOM   209  C CZ  . ARG   A 1 24  ? 33.239 -41.222 -3.488  1.000 91.074  0 23  ARG   BBB CZ  1 ? 23 
ATOM   210  N NH1 . ARG   A 1 24  ? 32.406 -41.950 -4.219  1.000 92.006  0 23  ARG   BBB NH1 1 ? 23 
ATOM   211  N NH2 . ARG   A 1 24  ? 33.940 -41.800 -2.532  1.000 92.052  0 23  ARG   BBB NH2 1 ? 23 
ATOM   212  N N   . ASN   A 1 25  ? 28.168 -40.818 -2.936  1.000 73.349  0 24  ASN   BBB N   1 ? 23 
ATOM   213  C CA  . ASN   A 1 25  ? 27.440 -42.002 -3.476  1.000 74.694  0 24  ASN   BBB CA  1 ? 23 
ATOM   214  C C   . ASN   A 1 25  ? 25.990 -41.616 -3.784  1.000 74.049  0 24  ASN   BBB C   1 ? 23 
ATOM   215  O O   . ASN   A 1 25  ? 25.454 -42.062 -4.817  1.000 75.198  0 24  ASN   BBB O   1 ? 23 
ATOM   216  C CB  . ASN   A 1 25  ? 27.502 -43.201 -2.525  1.000 77.340  0 24  ASN   BBB CB  1 ? 23 
ATOM   217  C CG  . ASN   A 1 25  ? 28.903 -43.754 -2.358  1.000 78.479  0 24  ASN   BBB CG  1 ? 23 
ATOM   218  O OD1 . ASN   A 1 25  ? 29.814 -43.430 -3.117  1.000 79.531  0 24  ASN   BBB OD1 1 ? 23 
ATOM   219  N ND2 . ASN   A 1 25  ? 29.093 -44.590 -1.352  1.000 81.136  0 24  ASN   BBB ND2 1 ? 23 
ATOM   220  N N   . GLN   A 1 26  ? 25.379 -40.813 -2.916  1.000 73.078  0 25  GLN   BBB N   1 ? 23 
ATOM   221  C CA  . GLN   A 1 26  ? 23.968 -40.369 -3.066  1.000 73.494  0 25  GLN   BBB CA  1 ? 23 
ATOM   222  C C   . GLN   A 1 26  ? 23.872 -39.439 -4.276  1.000 69.907  0 25  GLN   BBB C   1 ? 23 
ATOM   223  O O   . GLN   A 1 26  ? 22.939 -39.608 -5.054  1.000 71.290  0 25  GLN   BBB O   1 ? 23 
ATOM   224  C CB  . GLN   A 1 26  ? 23.461 -39.723 -1.768  1.000 75.941  0 25  GLN   BBB CB  1 ? 23 
ATOM   225  C CG  . GLN   A 1 26  ? 23.169 -40.718 -0.649  1.000 78.742  0 25  GLN   BBB CG  1 ? 23 
ATOM   226  C CD  . GLN   A 1 26  ? 22.000 -41.640 -0.922  1.000 83.258  0 25  GLN   BBB CD  1 ? 23 
ATOM   227  O OE1 . GLN   A 1 26  ? 21.040 -41.301 -1.620  1.000 85.475  0 25  GLN   BBB OE1 1 ? 23 
ATOM   228  N NE2 . GLN   A 1 26  ? 22.069 -42.831 -0.349  1.000 85.392  0 25  GLN   BBB NE2 1 ? 23 
ATOM   229  N N   . THR   A 1 27  ? 24.831 -38.530 -4.444  1.000 66.303  0 26  THR   BBB N   1 ? 23 
ATOM   230  C CA  . THR   A 1 27  ? 24.936 -37.621 -5.619  1.000 65.092  0 26  THR   BBB CA  1 ? 23 
ATOM   231  C C   . THR   A 1 27  ? 24.984 -38.461 -6.907  1.000 64.767  0 26  THR   BBB C   1 ? 23 
ATOM   232  O O   . THR   A 1 27  ? 24.234 -38.133 -7.848  1.000 65.234  0 26  THR   BBB O   1 ? 23 
ATOM   233  C CB  . THR   A 1 27  ? 26.156 -36.692 -5.493  1.000 63.627  0 26  THR   BBB CB  1 ? 23 
ATOM   234  O OG1 . THR   A 1 27  ? 26.076 -35.996 -4.252  1.000 63.636  0 26  THR   BBB OG1 1 ? 23 
ATOM   235  C CG2 . THR   A 1 27  ? 26.289 -35.710 -6.632  1.000 63.115  0 26  THR   BBB CG2 1 ? 23 
ATOM   236  N N   . TRP   A 1 28  ? 25.800 -39.523 -6.948  1.000 64.889  0 27  TRP   BBB N   1 ? 23 
ATOM   237  C CA  . TRP   A 1 28  ? 25.958 -40.373 -8.166  1.000 66.221  0 27  TRP   BBB CA  1 ? 23 
ATOM   238  C C   . TRP   A 1 28  ? 24.708 -41.217 -8.389  1.000 71.534  0 27  TRP   BBB C   1 ? 23 
ATOM   239  O O   . TRP   A 1 28  ? 24.380 -41.457 -9.544  1.000 73.041  0 27  TRP   BBB O   1 ? 23 
ATOM   240  C CB  . TRP   A 1 28  ? 27.234 -41.218 -8.103  1.000 64.972  0 27  TRP   BBB CB  1 ? 23 
ATOM   241  C CG  . TRP   A 1 28  ? 28.406 -40.439 -8.600  1.000 62.093  0 27  TRP   BBB CG  1 ? 23 
ATOM   242  C CD1 . TRP   A 1 28  ? 29.424 -39.904 -7.870  1.000 60.399  0 27  TRP   BBB CD1 1 ? 23 
ATOM   243  C CD2 . TRP   A 1 28  ? 28.617 -40.029 -9.961  1.000 61.427  0 27  TRP   BBB CD2 1 ? 23 
ATOM   244  N NE1 . TRP   A 1 28  ? 30.277 -39.221 -8.698  1.000 60.686  0 27  TRP   BBB NE1 1 ? 23 
ATOM   245  C CE2 . TRP   A 1 28  ? 29.804 -39.278 -9.984  1.000 61.059  0 27  TRP   BBB CE2 1 ? 23 
ATOM   246  C CE3 . TRP   A 1 28  ? 27.924 -40.237 -11.156 1.000 62.257  0 27  TRP   BBB CE3 1 ? 23 
ATOM   247  C CZ2 . TRP   A 1 28  ? 30.311 -38.737 -11.160 1.000 61.845  0 27  TRP   BBB CZ2 1 ? 23 
ATOM   248  C CZ3 . TRP   A 1 28  ? 28.414 -39.687 -12.315 1.000 62.771  0 27  TRP   BBB CZ3 1 ? 23 
ATOM   249  C CH2 . TRP   A 1 28  ? 29.590 -38.942 -12.312 1.000 62.471  0 27  TRP   BBB CH2 1 ? 23 
ATOM   250  N N   . LEU   A 1 29  ? 24.020 -41.627 -7.324  1.000 52.789  0 28  LEU   BBB N   1 ? 24 
ATOM   251  C CA  . LEU   A 1 29  ? 22.724 -42.350 -7.425  1.000 57.451  0 28  LEU   BBB CA  1 ? 24 
ATOM   252  C C   . LEU   A 1 29  ? 21.730 -41.452 -8.161  1.000 58.548  0 28  LEU   BBB C   1 ? 24 
ATOM   253  O O   . LEU   A 1 29  ? 21.026 -41.954 -9.052  1.000 62.862  0 28  LEU   BBB O   1 ? 24 
ATOM   254  C CB  . LEU   A 1 29  ? 22.234 -42.705 -6.016  1.000 62.631  0 28  LEU   BBB CB  1 ? 24 
ATOM   255  C CG  . LEU   A 1 29  ? 20.944 -43.521 -5.934  1.000 67.590  0 28  LEU   BBB CG  1 ? 24 
ATOM   256  C CD1 . LEU   A 1 29  ? 21.064 -44.847 -6.691  1.000 70.284  0 28  LEU   BBB CD1 1 ? 24 
ATOM   257  C CD2 . LEU   A 1 29  ? 20.562 -43.782 -4.475  1.000 70.394  0 28  LEU   BBB CD2 1 ? 24 
ATOM   258  N N   . GLU   A 1 30  ? 21.695 -40.161 -7.820  1.000 58.882  0 29  GLU   BBB N   1 ? 24 
ATOM   259  C CA  . GLU   A 1 30  ? 20.767 -39.169 -8.431  1.000 57.726  0 29  GLU   BBB CA  1 ? 24 
ATOM   260  C C   . GLU   A 1 30  ? 21.197 -38.891 -9.880  1.000 55.372  0 29  GLU   BBB C   1 ? 24 
ATOM   261  O O   . GLU   A 1 30  ? 20.322 -38.904 -10.748 1.000 55.851  0 29  GLU   BBB O   1 ? 24 
ATOM   262  C CB  . GLU   A 1 30  ? 20.716 -37.897 -7.578  1.000 58.105  0 29  GLU   BBB CB  1 ? 24 
ATOM   263  C CG  . GLU   A 1 30  ? 19.955 -36.748 -8.226  1.000 59.889  0 29  GLU   BBB CG  1 ? 24 
ATOM   264  C CD  . GLU   A 1 30  ? 18.494 -37.022 -8.522  1.000 61.837  0 29  GLU   BBB CD  1 ? 24 
ATOM   265  O OE1 . GLU   A 1 30  ? 17.938 -37.954 -7.896  1.000 63.955  0 29  GLU   BBB OE1 1 ? 24 
ATOM   266  O OE2 . GLU   A 1 30  ? 17.916 -36.302 -9.377  1.000 63.803  0 29  GLU   BBB OE2 1 ? 24 
ATOM   267  N N   . LEU   A 1 31  ? 22.484 -38.634 -10.132 1.000 54.153  0 30  LEU   BBB N   1 ? 24 
ATOM   268  C CA  . LEU   A 1 31  ? 23.007 -38.345 -11.504 1.000 55.602  0 30  LEU   BBB CA  1 ? 24 
ATOM   269  C C   . LEU   A 1 31  ? 22.653 -39.505 -12.438 1.000 56.709  0 30  LEU   BBB C   1 ? 24 
ATOM   270  O O   . LEU   A 1 31  ? 22.080 -39.246 -13.510 1.000 57.041  0 30  LEU   BBB O   1 ? 24 
ATOM   271  C CB  . LEU   A 1 31  ? 24.522 -38.135 -11.455 1.000 54.607  0 30  LEU   BBB CB  1 ? 24 
ATOM   272  C CG  . LEU   A 1 31  ? 24.981 -36.850 -10.775 1.000 54.508  0 30  LEU   BBB CG  1 ? 24 
ATOM   273  C CD1 . LEU   A 1 31  ? 26.481 -36.846 -10.579 1.000 55.751  0 30  LEU   BBB CD1 1 ? 24 
ATOM   274  C CD2 . LEU   A 1 31  ? 24.564 -35.640 -11.588 1.000 55.886  0 30  LEU   BBB CD2 1 ? 24 
ATOM   275  N N   . VAL   A 1 32  ? 22.945 -40.741 -12.021 1.000 60.076  0 31  VAL   BBB N   1 ? 24 
ATOM   276  C CA  . VAL   A 1 32  ? 22.713 -41.964 -12.847 1.000 62.228  0 31  VAL   BBB CA  1 ? 24 
ATOM   277  C C   . VAL   A 1 32  ? 21.203 -42.148 -13.034 1.000 63.319  0 31  VAL   BBB C   1 ? 24 
ATOM   278  O O   . VAL   A 1 32  ? 20.776 -42.444 -14.162 1.000 63.906  0 31  VAL   BBB O   1 ? 24 
ATOM   279  C CB  . VAL   A 1 32  ? 23.377 -43.209 -12.231 1.000 65.267  0 31  VAL   BBB CB  1 ? 24 
ATOM   280  C CG1 . VAL   A 1 32  ? 22.958 -44.477 -12.964 1.000 68.408  0 31  VAL   BBB CG1 1 ? 24 
ATOM   281  C CG2 . VAL   A 1 32  ? 24.897 -43.098 -12.207 1.000 63.859  0 31  VAL   BBB CG2 1 ? 24 
ATOM   282  N N   . GLY   A 1 33  ? 20.417 -41.960 -11.974 1.000 63.953  0 32  GLY   BBB N   1 ? 24 
ATOM   283  C CA  . GLY   A 1 33  ? 18.947 -42.046 -12.016 1.000 63.914  0 32  GLY   BBB CA  1 ? 24 
ATOM   284  C C   . GLY   A 1 33  ? 18.365 -41.112 -13.053 1.000 63.709  0 32  GLY   BBB C   1 ? 24 
ATOM   285  O O   . GLY   A 1 33  ? 17.494 -41.556 -13.818 1.000 67.944  0 32  GLY   BBB O   1 ? 24 
ATOM   286  N N   . GLU   A 1 34  ? 18.828 -39.861 -13.089 1.000 62.650  0 33  GLU   BBB N   1 ? 24 
ATOM   287  C CA  . GLU   A 1 34  ? 18.333 -38.823 -14.038 1.000 63.480  0 33  GLU   BBB CA  1 ? 24 
ATOM   288  C C   . GLU   A 1 34  ? 18.764 -39.180 -15.465 1.000 60.628  0 33  GLU   BBB C   1 ? 24 
ATOM   289  O O   . GLU   A 1 34  ? 17.949 -38.979 -16.374 1.000 58.833  0 33  GLU   BBB O   1 ? 24 
ATOM   290  C CB  . GLU   A 1 34  ? 18.820 -37.429 -13.625 1.000 66.150  0 33  GLU   BBB CB  1 ? 24 
ATOM   291  C CG  . GLU   A 1 34  ? 18.335 -36.297 -14.528 1.000 71.325  0 33  GLU   BBB CG  1 ? 24 
ATOM   292  C CD  . GLU   A 1 34  ? 16.832 -36.059 -14.646 1.000 73.938  0 33  GLU   BBB CD  1 ? 24 
ATOM   293  O OE1 . GLU   A 1 34  ? 16.041 -36.961 -14.290 1.000 75.490  0 33  GLU   BBB OE1 1 ? 24 
ATOM   294  O OE2 . GLU   A 1 34  ? 16.454 -34.964 -15.114 1.000 73.401  0 33  GLU   BBB OE2 1 ? 24 
ATOM   295  N N   . ALA   A 1 35  ? 19.990 -39.686 -15.652 1.000 60.824  0 34  ALA   BBB N   1 ? 24 
ATOM   296  C CA  . ALA   A 1 35  ? 20.494 -40.159 -16.965 1.000 62.612  0 34  ALA   BBB CA  1 ? 24 
ATOM   297  C C   . ALA   A 1 35  ? 19.571 -41.268 -17.493 1.000 66.492  0 34  ALA   BBB C   1 ? 24 
ATOM   298  O O   . ALA   A 1 35  ? 19.155 -41.181 -18.664 1.000 64.112  0 34  ALA   BBB O   1 ? 24 
ATOM   299  C CB  . ALA   A 1 35  ? 21.920 -40.635 -16.847 1.000 63.071  0 34  ALA   BBB CB  1 ? 24 
ATOM   300  N N   . GLN   A 1 36  ? 19.248 -42.265 -16.655 1.000 70.506  0 35  GLN   BBB N   1 ? 24 
ATOM   301  C CA  . GLN   A 1 36  ? 18.390 -43.425 -17.030 1.000 73.966  0 35  GLN   BBB CA  1 ? 24 
ATOM   302  C C   . GLN   A 1 36  ? 17.014 -42.907 -17.437 1.000 74.779  0 35  GLN   BBB C   1 ? 24 
ATOM   303  O O   . GLN   A 1 36  ? 16.481 -43.382 -18.458 1.000 78.897  0 35  GLN   BBB O   1 ? 24 
ATOM   304  C CB  . GLN   A 1 36  ? 18.238 -44.417 -15.877 1.000 78.119  0 35  GLN   BBB CB  1 ? 24 
ATOM   305  C CG  . GLN   A 1 36  ? 19.484 -45.255 -15.620 1.000 81.030  0 35  GLN   BBB CG  1 ? 24 
ATOM   306  C CD  . GLN   A 1 36  ? 19.396 -46.044 -14.335 1.000 85.714  0 35  GLN   BBB CD  1 ? 24 
ATOM   307  O OE1 . GLN   A 1 36  ? 18.538 -45.805 -13.484 1.000 87.619  0 35  GLN   BBB OE1 1 ? 24 
ATOM   308  N NE2 . GLN   A 1 36  ? 20.294 -47.004 -14.183 1.000 89.743  0 35  GLN   BBB NE2 1 ? 24 
ATOM   309  N N   . GLN   A 1 37  ? 16.478 -41.966 -16.662 1.000 73.706  0 36  GLN   BBB N   1 ? 24 
ATOM   310  C CA  . GLN   A 1 37  ? 15.169 -41.324 -16.927 1.000 76.465  0 36  GLN   BBB CA  1 ? 24 
ATOM   311  C C   . GLN   A 1 37  ? 15.190 -40.736 -18.339 1.000 74.257  0 36  GLN   BBB C   1 ? 24 
ATOM   312  O O   . GLN   A 1 37  ? 14.370 -41.162 -19.181 1.000 76.560  0 36  GLN   BBB O   1 ? 24 
ATOM   313  C CB  . GLN   A 1 37  ? 14.890 -40.256 -15.865 1.000 79.886  0 36  GLN   BBB CB  1 ? 24 
ATOM   314  C CG  . GLN   A 1 37  ? 13.586 -39.497 -16.081 1.000 85.071  0 36  GLN   BBB CG  1 ? 24 
ATOM   315  C CD  . GLN   A 1 37  ? 12.354 -40.292 -15.713 1.000 91.345  0 36  GLN   BBB CD  1 ? 24 
ATOM   316  O OE1 . GLN   A 1 37  ? 12.350 -41.093 -14.778 1.000 96.297  0 36  GLN   BBB OE1 1 ? 24 
ATOM   317  N NE2 . GLN   A 1 37  ? 11.293 -40.081 -16.471 1.000 92.714  0 36  GLN   BBB NE2 1 ? 24 
ATOM   318  N N   . LEU   A 1 38  ? 16.108 -39.800 -18.584 1.000 71.490  0 37  LEU   BBB N   1 ? 24 
ATOM   319  C CA  . LEU   A 1 38  ? 16.175 -39.021 -19.847 1.000 70.429  0 37  LEU   BBB CA  1 ? 24 
ATOM   320  C C   . LEU   A 1 38  ? 16.378 -39.973 -21.026 1.000 69.059  0 37  LEU   BBB C   1 ? 24 
ATOM   321  O O   . LEU   A 1 38  ? 15.726 -39.772 -22.052 1.000 72.440  0 37  LEU   BBB O   1 ? 24 
ATOM   322  C CB  . LEU   A 1 38  ? 17.312 -37.995 -19.763 1.000 68.881  0 37  LEU   BBB CB  1 ? 24 
ATOM   323  C CG  . LEU   A 1 38  ? 17.107 -36.863 -18.763 1.000 68.449  0 37  LEU   BBB CG  1 ? 24 
ATOM   324  C CD1 . LEU   A 1 38  ? 18.221 -35.839 -18.889 1.000 67.669  0 37  LEU   BBB CD1 1 ? 24 
ATOM   325  C CD2 . LEU   A 1 38  ? 15.749 -36.213 -18.949 1.000 70.018  0 37  LEU   BBB CD2 1 ? 24 
ATOM   326  N N   . MET   A 1 39  ? 17.247 -40.970 -20.888 1.000 69.575  0 38  MET   BBB N   1 ? 24 
ATOM   327  C CA  . MET   A 1 39  ? 17.518 -41.964 -21.962 1.000 72.189  0 38  MET   BBB CA  1 ? 24 
ATOM   328  C C   . MET   A 1 39  ? 16.266 -42.815 -22.198 1.000 74.984  0 38  MET   BBB C   1 ? 24 
ATOM   329  O O   . MET   A 1 39  ? 15.942 -43.040 -23.374 1.000 76.182  0 38  MET   BBB O   1 ? 24 
ATOM   330  C CB  . MET   A 1 39  ? 18.710 -42.849 -21.596 1.000 71.054  0 38  MET   BBB CB  1 ? 24 
ATOM   331  C CG  . MET   A 1 39  ? 20.016 -42.087 -21.643 1.000 69.248  0 38  MET   BBB CG  1 ? 24 
ATOM   332  S SD  . MET   A 1 39  ? 21.359 -42.980 -20.858 1.000 71.858  0 38  MET   BBB SD  1 ? 24 
ATOM   333  C CE  . MET   A 1 39  ? 21.579 -44.272 -22.087 1.000 76.835  0 38  MET   BBB CE  1 ? 24 
ATOM   334  N N   . GLY   A 1 40  ? 15.567 -43.206 -21.125 1.000 78.026  0 39  GLY   BBB N   1 ? 24 
ATOM   335  C CA  . GLY   A 1 40  ? 14.274 -43.920 -21.175 1.000 80.840  0 39  GLY   BBB CA  1 ? 24 
ATOM   336  C C   . GLY   A 1 40  ? 13.224 -43.156 -21.968 1.000 83.345  0 39  GLY   BBB C   1 ? 24 
ATOM   337  O O   . GLY   A 1 40  ? 12.487 -43.798 -22.743 1.000 85.793  0 39  GLY   BBB O   1 ? 24 
ATOM   338  N N   . GLU   A 1 41  ? 13.158 -41.831 -21.795 1.000 83.760  0 40  GLU   BBB N   1 ? 24 
ATOM   339  C CA  . GLU   A 1 41  ? 12.248 -40.922 -22.550 1.000 85.708  0 40  GLU   BBB CA  1 ? 24 
ATOM   340  C C   . GLU   A 1 41  ? 12.761 -40.693 -23.983 1.000 84.205  0 40  GLU   BBB C   1 ? 24 
ATOM   341  O O   . GLU   A 1 41  ? 12.063 -39.989 -24.738 1.000 84.401  0 40  GLU   BBB O   1 ? 24 
ATOM   342  C CB  . GLU   A 1 41  ? 12.145 -39.556 -21.868 1.000 88.583  0 40  GLU   BBB CB  1 ? 24 
ATOM   343  C CG  . GLU   A 1 41  ? 11.524 -39.587 -20.487 1.000 91.675  0 40  GLU   BBB CG  1 ? 24 
ATOM   344  C CD  . GLU   A 1 41  ? 11.469 -38.224 -19.809 1.000 94.361  0 40  GLU   BBB CD  1 ? 24 
ATOM   345  O OE1 . GLU   A 1 41  ? 11.555 -37.201 -20.524 1.000 93.425  0 40  GLU   BBB OE1 1 ? 24 
ATOM   346  O OE2 . GLU   A 1 41  ? 11.351 -38.189 -18.566 1.000 96.811  0 40  GLU   BBB OE2 1 ? 24 
ATOM   347  N N   . ARG   A 1 42  ? 13.937 -41.226 -24.337 1.000 83.611  0 41  ARG   BBB N   1 ? 24 
ATOM   348  C CA  . ARG   A 1 42  ? 14.643 -40.943 -25.622 1.000 87.445  0 41  ARG   BBB CA  1 ? 24 
ATOM   349  C C   . ARG   A 1 42  ? 14.819 -39.425 -25.778 1.000 84.835  0 41  ARG   BBB C   1 ? 24 
ATOM   350  O O   . ARG   A 1 42  ? 14.604 -38.906 -26.889 1.000 85.960  0 41  ARG   BBB O   1 ? 24 
ATOM   351  C CB  . ARG   A 1 42  ? 13.882 -41.538 -26.812 1.000 92.921  0 41  ARG   BBB CB  1 ? 24 
ATOM   352  C CG  . ARG   A 1 42  ? 13.478 -42.998 -26.644 1.000 97.813  0 41  ARG   BBB CG  1 ? 24 
ATOM   353  C CD  . ARG   A 1 42  ? 14.627 -43.956 -26.361 1.000 101.766 0 41  ARG   BBB CD  1 ? 24 
ATOM   354  N NE  . ARG   A 1 42  ? 15.170 -44.596 -27.556 1.000 106.066 0 41  ARG   BBB NE  1 ? 24 
ATOM   355  C CZ  . ARG   A 1 42  ? 14.563 -45.557 -28.252 1.000 107.991 0 41  ARG   BBB CZ  1 ? 24 
ATOM   356  N NH1 . ARG   A 1 42  ? 13.370 -46.005 -27.891 1.000 108.983 0 41  ARG   BBB NH1 1 ? 24 
ATOM   357  N NH2 . ARG   A 1 42  ? 15.156 -46.066 -29.320 1.000 108.994 0 41  ARG   BBB NH2 1 ? 24 
ATOM   358  N N   . CYS   A 1 43  ? 15.185 -38.747 -24.685 1.000 89.322  0 42  CYS   BBB N   1 ? 25 
ATOM   359  C CA  . CYS   A 1 43  ? 15.412 -37.280 -24.612 1.000 82.878  0 42  CYS   BBB CA  1 ? 25 
ATOM   360  C C   . CYS   A 1 43  ? 16.598 -36.922 -25.505 1.000 76.658  0 42  CYS   BBB C   1 ? 25 
ATOM   361  O O   . CYS   A 1 43  ? 17.667 -37.515 -25.373 1.000 73.518  0 42  CYS   BBB O   1 ? 25 
ATOM   362  C CB  . CYS   A 1 43  ? 15.673 -36.851 -23.173 1.000 80.418  0 42  CYS   BBB CB  1 ? 25 
ATOM   363  S SG  . CYS   A 1 43  ? 15.903 -35.067 -22.962 1.000 76.895  0 42  CYS   BBB SG  1 ? 25 
ATOM   364  N N   . PRO   A 1 44  ? 16.450 -35.987 -26.469 1.000 73.898  0 43  PRO   BBB N   1 ? 25 
ATOM   365  C CA  . PRO   A 1 44  ? 17.585 -35.553 -27.279 1.000 72.991  0 43  PRO   BBB CA  1 ? 25 
ATOM   366  C C   . PRO   A 1 44  ? 18.662 -34.864 -26.424 1.000 69.027  0 43  PRO   BBB C   1 ? 25 
ATOM   367  O O   . PRO   A 1 44  ? 18.346 -34.275 -25.406 1.000 67.172  0 43  PRO   BBB O   1 ? 25 
ATOM   368  C CB  . PRO   A 1 44  ? 16.982 -34.583 -28.304 1.000 74.456  0 43  PRO   BBB CB  1 ? 25 
ATOM   369  C CG  . PRO   A 1 44  ? 15.487 -34.857 -28.270 1.000 77.525  0 43  PRO   BBB CG  1 ? 25 
ATOM   370  C CD  . PRO   A 1 44  ? 15.197 -35.330 -26.864 1.000 75.662  0 43  PRO   BBB CD  1 ? 25 
ATOM   371  N N   . ALA   A 1 45  ? 19.915 -34.950 -26.865 1.000 65.867  0 44  ALA   BBB N   1 ? 25 
ATOM   372  C CA  . ALA   A 1 45  ? 21.103 -34.430 -26.154 1.000 61.181  0 44  ALA   BBB CA  1 ? 25 
ATOM   373  C C   . ALA   A 1 45  ? 21.025 -32.903 -25.992 1.000 57.666  0 44  ALA   BBB C   1 ? 25 
ATOM   374  O O   . ALA   A 1 45  ? 21.678 -32.411 -25.071 1.000 56.495  0 44  ALA   BBB O   1 ? 25 
ATOM   375  C CB  . ALA   A 1 45  ? 22.353 -34.855 -26.894 1.000 62.264  0 44  ALA   BBB CB  1 ? 25 
ATOM   376  N N   . ASP   A 1 46  ? 20.271 -32.175 -26.826 1.000 58.191  0 45  ASP   BBB N   1 ? 25 
ATOM   377  C CA  . ASP   A 1 46  ? 20.203 -30.688 -26.761 1.000 59.970  0 45  ASP   BBB CA  1 ? 25 
ATOM   378  C C   . ASP   A 1 46  ? 18.995 -30.207 -25.934 1.000 61.325  0 45  ASP   BBB C   1 ? 25 
ATOM   379  O O   . ASP   A 1 46  ? 18.788 -28.979 -25.855 1.000 61.455  0 45  ASP   BBB O   1 ? 25 
ATOM   380  C CB  . ASP   A 1 46  ? 20.213 -30.055 -28.151 1.000 63.678  0 45  ASP   BBB CB  1 ? 25 
ATOM   381  C CG  . ASP   A 1 46  ? 19.022 -30.388 -29.032 1.000 67.595  0 45  ASP   BBB CG  1 ? 25 
ATOM   382  O OD1 . ASP   A 1 46  ? 18.232 -31.269 -28.646 1.000 69.600  0 45  ASP   BBB OD1 1 ? 25 
ATOM   383  O OD2 . ASP   A 1 46  ? 18.873 -29.728 -30.070 1.000 71.076  0 45  ASP   BBB OD2 1 ? 25 
ATOM   384  N N   . GLU   A 1 47  ? 18.240 -31.120 -25.323 1.000 61.568  0 46  GLU   BBB N   1 ? 25 
ATOM   385  C CA  . GLU   A 1 47  ? 17.116 -30.785 -24.413 1.000 64.162  0 46  GLU   BBB CA  1 ? 25 
ATOM   386  C C   . GLU   A 1 47  ? 17.695 -30.105 -23.175 1.000 58.052  0 46  GLU   BBB C   1 ? 25 
ATOM   387  O O   . GLU   A 1 47  ? 18.733 -30.523 -22.679 1.000 55.481  0 46  GLU   BBB O   1 ? 25 
ATOM   388  C CB  . GLU   A 1 47  ? 16.339 -32.052 -24.051 1.000 69.783  0 46  GLU   BBB CB  1 ? 25 
ATOM   389  C CG  . GLU   A 1 47  ? 14.847 -31.834 -23.901 1.000 78.771  0 46  GLU   BBB CG  1 ? 25 
ATOM   390  C CD  . GLU   A 1 47  ? 14.094 -31.753 -25.219 1.000 84.404  0 46  GLU   BBB CD  1 ? 25 
ATOM   391  O OE1 . GLU   A 1 47  ? 14.460 -30.895 -26.059 1.000 84.804  0 46  GLU   BBB OE1 1 ? 25 
ATOM   392  O OE2 . GLU   A 1 47  ? 13.143 -32.553 -25.405 1.000 90.187  0 46  GLU   BBB OE2 1 ? 25 
ATOM   393  N N   . PRO   A 1 48  ? 17.074 -29.028 -22.648 1.000 56.239  0 47  PRO   BBB N   1 ? 25 
ATOM   394  C CA  . PRO   A 1 48  ? 17.595 -28.356 -21.458 1.000 55.323  0 47  PRO   BBB CA  1 ? 25 
ATOM   395  C C   . PRO   A 1 48  ? 17.938 -29.268 -20.269 1.000 53.057  0 47  PRO   BBB C   1 ? 25 
ATOM   396  O O   . PRO   A 1 48  ? 18.922 -29.008 -19.634 1.000 54.839  0 47  PRO   BBB O   1 ? 25 
ATOM   397  C CB  . PRO   A 1 48  ? 16.458 -27.400 -21.071 1.000 58.170  0 47  PRO   BBB CB  1 ? 25 
ATOM   398  C CG  . PRO   A 1 48  ? 15.780 -27.079 -22.391 1.000 59.591  0 47  PRO   BBB CG  1 ? 25 
ATOM   399  C CD  . PRO   A 1 48  ? 15.874 -28.364 -23.186 1.000 58.735  0 47  PRO   BBB CD  1 ? 25 
ATOM   400  N N   . ARG   A 1 49  ? 17.141 -30.299 -19.999 1.000 53.900  0 48  ARG   BBB N   1 ? 25 
ATOM   401  C CA  . ARG   A 1 49  ? 17.382 -31.261 -18.887 1.000 54.683  0 48  ARG   BBB CA  1 ? 25 
ATOM   402  C C   . ARG   A 1 49  ? 18.665 -32.056 -19.148 1.000 52.682  0 48  ARG   BBB C   1 ? 25 
ATOM   403  O O   . ARG   A 1 49  ? 19.368 -32.365 -18.177 1.000 52.824  0 48  ARG   BBB O   1 ? 25 
ATOM   404  C CB  . ARG   A 1 49  ? 16.206 -32.229 -18.717 1.000 60.064  0 48  ARG   BBB CB  1 ? 25 
ATOM   405  C CG  . ARG   A 1 49  ? 15.050 -31.686 -17.888 1.000 66.074  0 48  ARG   BBB CG  1 ? 25 
ATOM   406  C CD  . ARG   A 1 49  ? 13.964 -32.724 -17.721 1.000 70.944  0 48  ARG   BBB CD  1 ? 25 
ATOM   407  N NE  . ARG   A 1 49  ? 13.469 -33.149 -19.024 1.000 74.131  0 48  ARG   BBB NE  1 ? 25 
ATOM   408  C CZ  . ARG   A 1 49  ? 12.790 -34.272 -19.260 1.000 78.586  0 48  ARG   BBB CZ  1 ? 25 
ATOM   409  N NH1 . ARG   A 1 49  ? 12.499 -35.118 -18.281 1.000 81.210  0 48  ARG   BBB NH1 1 ? 25 
ATOM   410  N NH2 . ARG   A 1 49  ? 12.413 -34.554 -20.493 1.000 80.787  0 48  ARG   BBB NH2 1 ? 25 
ATOM   411  N N   . ALA   A 1 50  ? 18.941 -32.412 -20.405 1.000 52.117  0 49  ALA   BBB N   1 ? 25 
ATOM   412  C CA  . ALA   A 1 50  ? 20.125 -33.211 -20.794 1.000 52.624  0 49  ALA   BBB CA  1 ? 25 
ATOM   413  C C   . ALA   A 1 50  ? 21.377 -32.354 -20.619 1.000 49.178  0 49  ALA   BBB C   1 ? 25 
ATOM   414  O O   . ALA   A 1 50  ? 22.358 -32.842 -20.044 1.000 48.984  0 49  ALA   BBB O   1 ? 25 
ATOM   415  C CB  . ALA   A 1 50  ? 19.986 -33.693 -22.212 1.000 54.748  0 49  ALA   BBB CB  1 ? 25 
ATOM   416  N N   . ILE   A 1 51  ? 21.311 -31.107 -21.079 1.000 49.310  0 50  ILE   BBB N   1 ? 25 
ATOM   417  C CA  . ILE   A 1 51  ? 22.414 -30.105 -20.989 1.000 49.422  0 50  ILE   BBB CA  1 ? 25 
ATOM   418  C C   . ILE   A 1 51  ? 22.722 -29.835 -19.514 1.000 49.640  0 50  ILE   BBB C   1 ? 25 
ATOM   419  O O   . ILE   A 1 51  ? 23.925 -29.899 -19.139 1.000 47.685  0 50  ILE   BBB O   1 ? 25 
ATOM   420  C CB  . ILE   A 1 51  ? 22.032 -28.840 -21.778 1.000 50.844  0 50  ILE   BBB CB  1 ? 25 
ATOM   421  C CG1 . ILE   A 1 51  ? 22.152 -29.112 -23.282 1.000 51.920  0 50  ILE   BBB CG1 1 ? 25 
ATOM   422  C CG2 . ILE   A 1 51  ? 22.849 -27.630 -21.338 1.000 52.422  0 50  ILE   BBB CG2 1 ? 25 
ATOM   423  C CD1 . ILE   A 1 51  ? 21.560 -28.033 -24.160 1.000 54.136  0 50  ILE   BBB CD1 1 ? 25 
ATOM   424  N N   . ALA   A 1 52  ? 21.692 -29.559 -18.700 1.000 49.114  0 51  ALA   BBB N   1 ? 25 
ATOM   425  C CA  . ALA   A 1 52  ? 21.853 -29.285 -17.257 1.000 48.346  0 51  ALA   BBB CA  1 ? 25 
ATOM   426  C C   . ALA   A 1 52  ? 22.505 -30.497 -16.577 1.000 47.548  0 51  ALA   BBB C   1 ? 25 
ATOM   427  O O   . ALA   A 1 52  ? 23.466 -30.298 -15.820 1.000 47.208  0 51  ALA   BBB O   1 ? 25 
ATOM   428  C CB  . ALA   A 1 52  ? 20.523 -28.930 -16.642 1.000 51.155  0 51  ALA   BBB CB  1 ? 25 
ATOM   429  N N   . LEU   A 1 53  ? 22.008 -31.708 -16.842 1.000 47.055  0 52  LEU   BBB N   1 ? 25 
ATOM   430  C CA  . LEU   A 1 53  ? 22.540 -32.964 -16.250 1.000 47.909  0 52  LEU   BBB CA  1 ? 25 
ATOM   431  C C   . LEU   A 1 53  ? 24.024 -33.109 -16.586 1.000 46.432  0 52  LEU   BBB C   1 ? 25 
ATOM   432  O O   . LEU   A 1 53  ? 24.829 -33.288 -15.653 1.000 45.941  0 52  LEU   BBB O   1 ? 25 
ATOM   433  C CB  . LEU   A 1 53  ? 21.752 -34.167 -16.770 1.000 50.418  0 52  LEU   BBB CB  1 ? 25 
ATOM   434  C CG  . LEU   A 1 53  ? 22.274 -35.521 -16.294 1.000 51.502  0 52  LEU   BBB CG  1 ? 25 
ATOM   435  C CD1 . LEU   A 1 53  ? 22.194 -35.612 -14.781 1.000 54.228  0 52  LEU   BBB CD1 1 ? 25 
ATOM   436  C CD2 . LEU   A 1 53  ? 21.504 -36.667 -16.941 1.000 53.738  0 52  LEU   BBB CD2 1 ? 25 
ATOM   437  N N   . ALA   A 1 54  ? 24.374 -33.040 -17.870 1.000 46.271  0 53  ALA   BBB N   1 ? 25 
ATOM   438  C CA  . ALA   A 1 54  ? 25.759 -33.231 -18.349 1.000 45.753  0 53  ALA   BBB CA  1 ? 25 
ATOM   439  C C   . ALA   A 1 54  ? 26.694 -32.257 -17.626 1.000 46.720  0 53  ALA   BBB C   1 ? 25 
ATOM   440  O O   . ALA   A 1 54  ? 27.793 -32.683 -17.232 1.000 48.844  0 53  ALA   BBB O   1 ? 25 
ATOM   441  C CB  . ALA   A 1 54  ? 25.821 -33.064 -19.841 1.000 47.754  0 53  ALA   BBB CB  1 ? 25 
ATOM   442  N N   . THR   A 1 55  ? 26.280 -30.998 -17.453 1.000 47.613  0 54  THR   BBB N   1 ? 25 
ATOM   443  C CA  . THR   A 1 55  ? 27.098 -29.955 -16.784 1.000 47.763  0 54  THR   BBB CA  1 ? 25 
ATOM   444  C C   . THR   A 1 55  ? 27.380 -30.386 -15.335 1.000 49.123  0 54  THR   BBB C   1 ? 25 
ATOM   445  O O   . THR   A 1 55  ? 28.556 -30.414 -14.942 1.000 49.892  0 54  THR   BBB O   1 ? 25 
ATOM   446  C CB  . THR   A 1 55  ? 26.424 -28.585 -16.865 1.000 49.095  0 54  THR   BBB CB  1 ? 25 
ATOM   447  O OG1 . THR   A 1 55  ? 26.201 -28.290 -18.237 1.000 49.973  0 54  THR   BBB OG1 1 ? 25 
ATOM   448  C CG2 . THR   A 1 55  ? 27.261 -27.488 -16.249 1.000 50.984  0 54  THR   BBB CG2 1 ? 25 
ATOM   449  N N   . ARG   A 1 56  ? 26.339 -30.710 -14.570 1.000 49.300  0 55  ARG   BBB N   1 ? 25 
ATOM   450  C CA  . ARG   A 1 56  ? 26.456 -31.151 -13.150 1.000 51.729  0 55  ARG   BBB CA  1 ? 25 
ATOM   451  C C   . ARG   A 1 56  ? 27.323 -32.409 -13.093 1.000 48.678  0 55  ARG   BBB C   1 ? 25 
ATOM   452  O O   . ARG   A 1 56  ? 28.190 -32.498 -12.220 1.000 50.561  0 55  ARG   BBB O   1 ? 25 
ATOM   453  C CB  . ARG   A 1 56  ? 25.085 -31.496 -12.547 1.000 53.351  0 55  ARG   BBB CB  1 ? 25 
ATOM   454  C CG  . ARG   A 1 56  ? 24.151 -30.315 -12.450 1.000 55.649  0 55  ARG   BBB CG  1 ? 25 
ATOM   455  C CD  . ARG   A 1 56  ? 22.978 -30.632 -11.551 1.000 60.103  0 55  ARG   BBB CD  1 ? 25 
ATOM   456  N NE  . ARG   A 1 56  ? 22.202 -31.840 -11.831 1.000 58.722  0 55  ARG   BBB NE  1 ? 25 
ATOM   457  C CZ  . ARG   A 1 56  ? 21.259 -31.954 -12.766 1.000 58.069  0 55  ARG   BBB CZ  1 ? 25 
ATOM   458  N NH1 . ARG   A 1 56  ? 21.004 -30.972 -13.614 1.000 57.852  0 55  ARG   BBB NH1 1 ? 25 
ATOM   459  N NH2 . ARG   A 1 56  ? 20.548 -33.060 -12.845 1.000 60.425  0 55  ARG   BBB NH2 1 ? 25 
ATOM   460  N N   . TRP   A 1 57  ? 27.052 -33.360 -13.975 1.000 47.396  0 56  TRP   BBB N   1 ? 25 
ATOM   461  C CA  . TRP   A 1 57  ? 27.770 -34.656 -14.078 1.000 50.396  0 56  TRP   BBB CA  1 ? 25 
ATOM   462  C C   . TRP   A 1 57  ? 29.274 -34.390 -14.209 1.000 50.365  0 56  TRP   BBB C   1 ? 25 
ATOM   463  O O   . TRP   A 1 57  ? 30.058 -34.904 -13.388 1.000 53.190  0 56  TRP   BBB O   1 ? 25 
ATOM   464  C CB  . TRP   A 1 57  ? 27.193 -35.439 -15.264 1.000 50.402  0 56  TRP   BBB CB  1 ? 25 
ATOM   465  C CG  . TRP   A 1 57  ? 27.765 -36.799 -15.509 1.000 51.902  0 56  TRP   BBB CG  1 ? 25 
ATOM   466  C CD1 . TRP   A 1 57  ? 29.043 -37.098 -15.878 1.000 51.882  0 56  TRP   BBB CD1 1 ? 25 
ATOM   467  C CD2 . TRP   A 1 57  ? 27.038 -38.040 -15.514 1.000 52.871  0 56  TRP   BBB CD2 1 ? 25 
ATOM   468  N NE1 . TRP   A 1 57  ? 29.171 -38.449 -16.053 1.000 53.258  0 56  TRP   BBB NE1 1 ? 25 
ATOM   469  C CE2 . TRP   A 1 57  ? 27.965 -39.052 -15.840 1.000 53.568  0 56  TRP   BBB CE2 1 ? 25 
ATOM   470  C CE3 . TRP   A 1 57  ? 25.712 -38.399 -15.244 1.000 54.570  0 56  TRP   BBB CE3 1 ? 25 
ATOM   471  C CZ2 . TRP   A 1 57  ? 27.608 -40.395 -15.907 1.000 57.307  0 56  TRP   BBB CZ2 1 ? 25 
ATOM   472  C CZ3 . TRP   A 1 57  ? 25.359 -39.730 -15.310 1.000 58.668  0 56  TRP   BBB CZ3 1 ? 25 
ATOM   473  C CH2 . TRP   A 1 57  ? 26.296 -40.712 -15.641 1.000 60.764  0 56  TRP   BBB CH2 1 ? 25 
ATOM   474  N N   . MET   A 1 58  ? 29.666 -33.582 -15.189 1.000 50.848  0 57  MET   BBB N   1 ? 25 
ATOM   475  C CA  . MET   A 1 58  ? 31.095 -33.324 -15.487 1.000 51.134  0 57  MET   BBB CA  1 ? 25 
ATOM   476  C C   . MET   A 1 58  ? 31.719 -32.534 -14.324 1.000 51.759  0 57  MET   BBB C   1 ? 25 
ATOM   477  O O   . MET   A 1 58  ? 32.876 -32.817 -13.985 1.000 52.007  0 57  MET   BBB O   1 ? 25 
ATOM   478  C CB  . MET   A 1 58  ? 31.258 -32.580 -16.813 1.000 49.434  0 57  MET   BBB CB  1 ? 25 
ATOM   479  C CG  . MET   A 1 58  ? 30.877 -33.395 -18.035 1.000 48.614  0 57  MET   BBB CG  1 ? 25 
ATOM   480  S SD  . MET   A 1 58  ? 31.627 -35.054 -18.099 1.000 52.649  0 57  MET   BBB SD  1 ? 25 
ATOM   481  C CE  . MET   A 1 58  ? 33.338 -34.630 -18.413 1.000 55.400  0 57  MET   BBB CE  1 ? 25 
ATOM   482  N N   . GLU   A 1 59  ? 30.992 -31.600 -13.710 1.000 51.970  0 58  GLU   BBB N   1 ? 25 
ATOM   483  C CA  . GLU   A 1 59  ? 31.475 -30.873 -12.495 1.000 56.260  0 58  GLU   BBB CA  1 ? 25 
ATOM   484  C C   . GLU   A 1 59  ? 31.716 -31.869 -11.345 1.000 54.879  0 58  GLU   BBB C   1 ? 25 
ATOM   485  O O   . GLU   A 1 59  ? 32.704 -31.708 -10.608 1.000 53.088  0 58  GLU   BBB O   1 ? 25 
ATOM   486  C CB  . GLU   A 1 59  ? 30.468 -29.821 -12.035 1.000 59.489  0 58  GLU   BBB CB  1 ? 25 
ATOM   487  C CG  . GLU   A 1 59  ? 30.519 -28.527 -12.817 1.000 65.395  0 58  GLU   BBB CG  1 ? 25 
ATOM   488  C CD  . GLU   A 1 59  ? 29.625 -27.441 -12.223 1.000 71.296  0 58  GLU   BBB CD  1 ? 25 
ATOM   489  O OE1 . GLU   A 1 59  ? 28.359 -27.581 -12.306 1.000 68.775  0 58  GLU   BBB OE1 1 ? 25 
ATOM   490  O OE2 . GLU   A 1 59  ? 30.190 -26.454 -11.664 1.000 77.665  0 58  GLU   BBB OE2 1 ? 25 
ATOM   491  N N   . GLN   A 1 60  ? 30.840 -32.862 -11.184 1.000 52.298  0 59  GLN   BBB N   1 ? 26 
ATOM   492  C CA  . GLN   A 1 60  ? 30.978 -33.892 -10.129 1.000 52.189  0 59  GLN   BBB CA  1 ? 26 
ATOM   493  C C   . GLN   A 1 60  ? 32.254 -34.705 -10.412 1.000 51.224  0 59  GLN   BBB C   1 ? 26 
ATOM   494  O O   . GLN   A 1 60  ? 33.032 -34.932 -9.465  1.000 52.478  0 59  GLN   BBB O   1 ? 26 
ATOM   495  C CB  . GLN   A 1 60  ? 29.727 -34.763 -10.081 1.000 52.700  0 59  GLN   BBB CB  1 ? 26 
ATOM   496  C CG  . GLN   A 1 60  ? 29.721 -35.745 -8.910  1.000 55.439  0 59  GLN   BBB CG  1 ? 26 
ATOM   497  C CD  . GLN   A 1 60  ? 29.723 -35.058 -7.568  1.000 57.349  0 59  GLN   BBB CD  1 ? 26 
ATOM   498  O OE1 . GLN   A 1 60  ? 29.088 -34.027 -7.387  1.000 55.774  0 59  GLN   BBB OE1 1 ? 26 
ATOM   499  N NE2 . GLN   A 1 60  ? 30.434 -35.639 -6.615  1.000 61.084  0 59  GLN   BBB NE2 1 ? 26 
ATOM   500  N N   . LEU   A 1 61  ? 32.460 -35.119 -11.664 1.000 50.126  0 60  LEU   BBB N   1 ? 26 
ATOM   501  C CA  . LEU   A 1 61  ? 33.650 -35.905 -12.097 1.000 50.598  0 60  LEU   BBB CA  1 ? 26 
ATOM   502  C C   . LEU   A 1 61  ? 34.927 -35.107 -11.820 1.000 50.832  0 60  LEU   BBB C   1 ? 26 
ATOM   503  O O   . LEU   A 1 61  ? 35.918 -35.711 -11.406 1.000 51.204  0 60  LEU   BBB O   1 ? 26 
ATOM   504  C CB  . LEU   A 1 61  ? 33.532 -36.233 -13.586 1.000 52.024  0 60  LEU   BBB CB  1 ? 26 
ATOM   505  C CG  . LEU   A 1 61  ? 32.795 -37.523 -13.934 1.000 54.464  0 60  LEU   BBB CG  1 ? 26 
ATOM   506  C CD1 . LEU   A 1 61  ? 32.802 -37.748 -15.432 1.000 56.375  0 60  LEU   BBB CD1 1 ? 26 
ATOM   507  C CD2 . LEU   A 1 61  ? 33.386 -38.733 -13.211 1.000 54.513  0 60  LEU   BBB CD2 1 ? 26 
ATOM   508  N N   . GLU   A 1 62  ? 34.895 -33.796 -12.048 1.000 55.509  0 61  GLU   BBB N   1 ? 26 
ATOM   509  C CA  . GLU   A 1 62  ? 36.034 -32.862 -11.827 1.000 57.484  0 61  GLU   BBB CA  1 ? 26 
ATOM   510  C C   . GLU   A 1 62  ? 36.424 -32.889 -10.342 1.000 58.733  0 61  GLU   BBB C   1 ? 26 
ATOM   511  O O   . GLU   A 1 62  ? 37.625 -32.970 -10.036 1.000 58.781  0 61  GLU   BBB O   1 ? 26 
ATOM   512  C CB  . GLU   A 1 62  ? 35.617 -31.465 -12.275 1.000 62.750  0 61  GLU   BBB CB  1 ? 26 
ATOM   513  C CG  . GLU   A 1 62  ? 36.710 -30.653 -12.949 1.000 66.570  0 61  GLU   BBB CG  1 ? 26 
ATOM   514  C CD  . GLU   A 1 62  ? 36.152 -29.459 -13.711 1.000 69.703  0 61  GLU   BBB CD  1 ? 26 
ATOM   515  O OE1 . GLU   A 1 62  ? 34.962 -29.138 -13.504 1.000 72.458  0 61  GLU   BBB OE1 1 ? 26 
ATOM   516  O OE2 . GLU   A 1 62  ? 36.905 -28.852 -14.495 1.000 74.465  0 61  GLU   BBB OE2 1 ? 26 
ATOM   517  N N   . GLN   A 1 63  ? 35.432 -32.850 -9.456  1.000 59.219  0 62  GLN   BBB N   1 ? 26 
ATOM   518  C CA  . GLN   A 1 63  ? 35.608 -32.902 -7.981  1.000 62.308  0 62  GLN   BBB CA  1 ? 26 
ATOM   519  C C   . GLN   A 1 63  ? 36.158 -34.285 -7.588  1.000 59.557  0 62  GLN   BBB C   1 ? 26 
ATOM   520  O O   . GLN   A 1 63  ? 37.166 -34.341 -6.858  1.000 61.434  0 62  GLN   BBB O   1 ? 26 
ATOM   521  C CB  . GLN   A 1 63  ? 34.270 -32.614 -7.296  1.000 64.879  0 62  GLN   BBB CB  1 ? 26 
ATOM   522  C CG  . GLN   A 1 63  ? 34.398 -32.338 -5.804  1.000 71.936  0 62  GLN   BBB CG  1 ? 26 
ATOM   523  C CD  . GLN   A 1 63  ? 33.051 -32.249 -5.129  1.000 75.851  0 62  GLN   BBB CD  1 ? 26 
ATOM   524  O OE1 . GLN   A 1 63  ? 32.550 -31.159 -4.863  1.000 80.698  0 62  GLN   BBB OE1 1 ? 26 
ATOM   525  N NE2 . GLN   A 1 63  ? 32.437 -33.400 -4.888  1.000 74.983  0 62  GLN   BBB NE2 1 ? 26 
ATOM   526  N N   . ASP   A 1 64  ? 35.538 -35.352 -8.092  1.000 54.563  0 63  ASP   BBB N   1 ? 26 
ATOM   527  C CA  . ASP   A 1 64  ? 35.780 -36.750 -7.655  1.000 56.874  0 63  ASP   BBB CA  1 ? 26 
ATOM   528  C C   . ASP   A 1 64  ? 37.069 -37.326 -8.266  1.000 54.801  0 63  ASP   BBB C   1 ? 26 
ATOM   529  O O   . ASP   A 1 64  ? 37.445 -38.430 -7.850  1.000 57.744  0 63  ASP   BBB O   1 ? 26 
ATOM   530  C CB  . ASP   A 1 64  ? 34.547 -37.606 -7.944  1.000 56.961  0 63  ASP   BBB CB  1 ? 26 
ATOM   531  C CG  . ASP   A 1 64  ? 33.347 -37.206 -7.107  1.000 59.860  0 63  ASP   BBB CG  1 ? 26 
ATOM   532  O OD1 . ASP   A 1 64  ? 33.532 -36.416 -6.155  1.000 61.319  0 63  ASP   BBB OD1 1 ? 26 
ATOM   533  O OD2 . ASP   A 1 64  ? 32.235 -37.679 -7.409  1.000 60.520  0 63  ASP   BBB OD2 1 ? 26 
ATOM   534  N N   . THR   A 1 65  ? 37.720 -36.616 -9.190  1.000 51.708  0 64  THR   BBB N   1 ? 26 
ATOM   535  C CA  . THR   A 1 65  ? 39.066 -36.940 -9.736  1.000 52.637  0 64  THR   BBB CA  1 ? 26 
ATOM   536  C C   . THR   A 1 65  ? 40.102 -35.959 -9.184  1.000 54.253  0 64  THR   BBB C   1 ? 26 
ATOM   537  O O   . THR   A 1 65  ? 41.261 -36.023 -9.639  1.000 55.247  0 64  THR   BBB O   1 ? 26 
ATOM   538  C CB  . THR   A 1 65  ? 39.068 -36.908 -11.271 1.000 51.318  0 64  THR   BBB CB  1 ? 26 
ATOM   539  O OG1 . THR   A 1 65  ? 38.621 -35.616 -11.690 1.000 49.557  0 64  THR   BBB OG1 1 ? 26 
ATOM   540  C CG2 . THR   A 1 65  ? 38.205 -37.998 -11.870 1.000 50.662  0 64  THR   BBB CG2 1 ? 26 
ATOM   541  N N   . ALA   A 1 66  ? 39.692 -35.066 -8.269  1.000 56.442  0 65  ALA   BBB N   1 ? 26 
ATOM   542  C CA  . ALA   A 1 66  ? 40.543 -34.029 -7.634  1.000 57.681  0 65  ALA   BBB CA  1 ? 26 
ATOM   543  C C   . ALA   A 1 66  ? 41.198 -33.153 -8.707  1.000 58.006  0 65  ALA   BBB C   1 ? 26 
ATOM   544  O O   . ALA   A 1 66  ? 42.357 -32.768 -8.530  1.000 60.917  0 65  ALA   BBB O   1 ? 26 
ATOM   545  C CB  . ALA   A 1 66  ? 41.577 -34.689 -6.754  1.000 61.227  0 65  ALA   BBB CB  1 ? 26 
ATOM   546  N N   . GLY   A 1 67  ? 40.467 -32.850 -9.782  1.000 57.339  0 66  GLY   BBB N   1 ? 26 
ATOM   547  C CA  . GLY   A 1 67  ? 40.926 -31.996 -10.894 1.000 59.408  0 66  GLY   BBB CA  1 ? 26 
ATOM   548  C C   . GLY   A 1 67  ? 42.098 -32.584 -11.666 1.000 59.505  0 66  GLY   BBB C   1 ? 26 
ATOM   549  O O   . GLY   A 1 67  ? 42.778 -31.821 -12.346 1.000 62.504  0 66  GLY   BBB O   1 ? 26 
ATOM   550  N N   . ARG   A 1 68  ? 42.315 -33.897 -11.590 1.000 59.916  0 67  ARG   BBB N   1 ? 26 
ATOM   551  C CA  . ARG   A 1 68  ? 43.411 -34.600 -12.316 1.000 62.896  0 67  ARG   BBB CA  1 ? 26 
ATOM   552  C C   . ARG   A 1 68  ? 42.817 -35.227 -13.572 1.000 61.208  0 67  ARG   BBB C   1 ? 26 
ATOM   553  O O   . ARG   A 1 68  ? 42.057 -36.191 -13.478 1.000 58.273  0 67  ARG   BBB O   1 ? 26 
ATOM   554  C CB  . ARG   A 1 68  ? 44.085 -35.622 -11.392 1.000 67.157  0 67  ARG   BBB CB  1 ? 26 
ATOM   555  C CG  . ARG   A 1 68  ? 44.721 -34.990 -10.163 1.000 69.349  0 67  ARG   BBB CG  1 ? 26 
ATOM   556  C CD  . ARG   A 1 68  ? 45.845 -35.835 -9.613  1.000 77.381  0 67  ARG   BBB CD  1 ? 26 
ATOM   557  N NE  . ARG   A 1 68  ? 47.056 -35.744 -10.420 1.000 83.437  0 67  ARG   BBB NE  1 ? 26 
ATOM   558  C CZ  . ARG   A 1 68  ? 48.135 -36.517 -10.277 1.000 87.634  0 67  ARG   BBB CZ  1 ? 26 
ATOM   559  N NH1 . ARG   A 1 68  ? 48.172 -37.462 -9.349  1.000 88.645  0 67  ARG   BBB NH1 1 ? 26 
ATOM   560  N NH2 . ARG   A 1 68  ? 49.178 -36.336 -11.072 1.000 89.556  0 67  ARG   BBB NH2 1 ? 26 
ATOM   561  N N   . PRO   A 1 69  ? 43.097 -34.673 -14.774 1.000 63.442  0 68  PRO   BBB N   1 ? 27 
ATOM   562  C CA  . PRO   A 1 69  ? 42.484 -35.154 -16.015 1.000 61.526  0 68  PRO   BBB CA  1 ? 27 
ATOM   563  C C   . PRO   A 1 69  ? 42.801 -36.627 -16.314 1.000 59.337  0 68  PRO   BBB C   1 ? 27 
ATOM   564  O O   . PRO   A 1 69  ? 41.932 -37.310 -16.811 1.000 57.323  0 68  PRO   BBB O   1 ? 27 
ATOM   565  C CB  . PRO   A 1 69  ? 43.102 -34.281 -17.126 1.000 63.366  0 68  PRO   BBB CB  1 ? 27 
ATOM   566  C CG  . PRO   A 1 69  ? 43.632 -33.066 -16.394 1.000 65.312  0 68  PRO   BBB CG  1 ? 27 
ATOM   567  C CD  . PRO   A 1 69  ? 44.014 -33.550 -15.008 1.000 65.004  0 68  PRO   BBB CD  1 ? 27 
ATOM   568  N N   . GLU   A 1 70  ? 44.024 -37.066 -15.994 1.000 60.242  0 69  GLU   BBB N   1 ? 27 
ATOM   569  C CA  . GLU   A 1 70  ? 44.511 -38.448 -16.250 1.000 62.192  0 69  GLU   BBB CA  1 ? 27 
ATOM   570  C C   . GLU   A 1 70  ? 43.656 -39.457 -15.480 1.000 61.021  0 69  GLU   BBB C   1 ? 27 
ATOM   571  O O   . GLU   A 1 70  ? 43.623 -40.604 -15.913 1.000 61.876  0 69  GLU   BBB O   1 ? 27 
ATOM   572  C CB  . GLU   A 1 70  ? 45.999 -38.612 -15.902 1.000 65.839  0 69  GLU   BBB CB  1 ? 27 
ATOM   573  C CG  . GLU   A 1 70  ? 46.343 -38.389 -14.438 1.000 69.695  0 69  GLU   BBB CG  1 ? 27 
ATOM   574  C CD  . GLU   A 1 70  ? 46.721 -36.961 -14.065 1.000 74.050  0 69  GLU   BBB CD  1 ? 27 
ATOM   575  O OE1 . GLU   A 1 70  ? 46.088 -35.997 -14.583 1.000 73.413  0 69  GLU   BBB OE1 1 ? 27 
ATOM   576  O OE2 . GLU   A 1 70  ? 47.630 -36.810 -13.225 1.000 80.084  0 69  GLU   BBB OE2 1 ? 27 
ATOM   577  N N   . PHE   A 1 71  ? 43.004 -39.065 -14.379 1.000 59.104  0 70  PHE   BBB N   1 ? 27 
ATOM   578  C CA  . PHE   A 1 71  ? 42.087 -39.963 -13.624 1.000 56.672  0 70  PHE   BBB CA  1 ? 27 
ATOM   579  C C   . PHE   A 1 71  ? 40.767 -40.119 -14.385 1.000 54.834  0 70  PHE   BBB C   1 ? 27 
ATOM   580  O O   . PHE   A 1 71  ? 40.117 -41.154 -14.214 1.000 54.734  0 70  PHE   BBB O   1 ? 27 
ATOM   581  C CB  . PHE   A 1 71  ? 41.847 -39.488 -12.188 1.000 58.736  0 70  PHE   BBB CB  1 ? 27 
ATOM   582  C CG  . PHE   A 1 71  ? 43.034 -39.542 -11.261 1.000 59.453  0 70  PHE   BBB CG  1 ? 27 
ATOM   583  C CD1 . PHE   A 1 71  ? 44.193 -40.227 -11.594 1.000 59.806  0 70  PHE   BBB CD1 1 ? 27 
ATOM   584  C CD2 . PHE   A 1 71  ? 42.977 -38.907 -10.033 1.000 62.682  0 70  PHE   BBB CD2 1 ? 27 
ATOM   585  C CE1 . PHE   A 1 71  ? 45.269 -40.260 -10.721 1.000 62.937  0 70  PHE   BBB CE1 1 ? 27 
ATOM   586  C CE2 . PHE   A 1 71  ? 44.048 -38.949 -9.154  1.000 65.149  0 70  PHE   BBB CE2 1 ? 27 
ATOM   587  C CZ  . PHE   A 1 71  ? 45.188 -39.639 -9.492  1.000 65.116  0 70  PHE   BBB CZ  1 ? 27 
ATOM   588  N N   . LEU   A 1 72  ? 40.366 -39.146 -15.200 1.000 55.478  0 71  LEU   BBB N   1 ? 27 
ATOM   589  C CA  . LEU   A 1 72  ? 39.156 -39.308 -16.053 1.000 56.135  0 71  LEU   BBB CA  1 ? 27 
ATOM   590  C C   . LEU   A 1 72  ? 39.424 -40.417 -17.079 1.000 54.124  0 71  LEU   BBB C   1 ? 27 
ATOM   591  O O   . LEU   A 1 72  ? 38.590 -41.314 -17.229 1.000 57.443  0 71  LEU   BBB O   1 ? 27 
ATOM   592  C CB  . LEU   A 1 72  ? 38.799 -37.994 -16.757 1.000 56.683  0 71  LEU   BBB CB  1 ? 27 
ATOM   593  C CG  . LEU   A 1 72  ? 37.567 -38.073 -17.658 1.000 55.997  0 71  LEU   BBB CG  1 ? 27 
ATOM   594  C CD1 . LEU   A 1 72  ? 36.341 -38.485 -16.865 1.000 56.720  0 71  LEU   BBB CD1 1 ? 27 
ATOM   595  C CD2 . LEU   A 1 72  ? 37.349 -36.768 -18.405 1.000 58.857  0 71  LEU   BBB CD2 1 ? 27 
ATOM   596  N N   . THR   A 1 73  ? 40.552 -40.347 -17.781 1.000 54.384  0 72  THR   BBB N   1 ? 27 
ATOM   597  C CA  . THR   A 1 73  ? 40.955 -41.348 -18.801 1.000 52.299  0 72  THR   BBB CA  1 ? 27 
ATOM   598  C C   . THR   A 1 73  ? 40.914 -42.736 -18.155 1.000 50.824  0 72  THR   BBB C   1 ? 27 
ATOM   599  O O   . THR   A 1 73  ? 40.256 -43.633 -18.711 1.000 49.276  0 72  THR   BBB O   1 ? 27 
ATOM   600  C CB  . THR   A 1 73  ? 42.316 -40.984 -19.394 1.000 53.122  0 72  THR   BBB CB  1 ? 27 
ATOM   601  O OG1 . THR   A 1 73  ? 42.138 -39.755 -20.087 1.000 54.304  0 72  THR   BBB OG1 1 ? 27 
ATOM   602  C CG2 . THR   A 1 73  ? 42.830 -42.025 -20.357 1.000 53.774  0 72  THR   BBB CG2 1 ? 27 
ATOM   603  N N   . ARG   A 1 74  ? 41.541 -42.867 -16.984 1.000 52.816  0 73  ARG   BBB N   1 ? 27 
ATOM   604  C CA  . ARG   A 1 74  ? 41.671 -44.140 -16.225 1.000 54.005  0 73  ARG   BBB CA  1 ? 27 
ATOM   605  C C   . ARG   A 1 74  ? 40.274 -44.681 -15.930 1.000 52.348  0 73  ARG   BBB C   1 ? 27 
ATOM   606  O O   . ARG   A 1 74  ? 40.038 -45.873 -16.190 1.000 50.317  0 73  ARG   BBB O   1 ? 27 
ATOM   607  C CB  . ARG   A 1 74  ? 42.472 -43.929 -14.929 1.000 56.447  0 73  ARG   BBB CB  1 ? 27 
ATOM   608  C CG  . ARG   A 1 74  ? 43.157 -45.187 -14.412 1.000 57.401  0 73  ARG   BBB CG  1 ? 27 
ATOM   609  C CD  . ARG   A 1 74  ? 44.458 -45.484 -15.128 1.000 57.940  0 73  ARG   BBB CD  1 ? 27 
ATOM   610  N NE  . ARG   A 1 74  ? 45.348 -44.347 -14.964 1.000 60.367  0 73  ARG   BBB NE  1 ? 27 
ATOM   611  C CZ  . ARG   A 1 74  ? 46.025 -44.047 -13.859 1.000 61.966  0 73  ARG   BBB CZ  1 ? 27 
ATOM   612  N NH1 . ARG   A 1 74  ? 45.998 -44.838 -12.801 1.000 64.129  0 73  ARG   BBB NH1 1 ? 27 
ATOM   613  N NH2 . ARG   A 1 74  ? 46.779 -42.965 -13.840 1.000 63.651  0 73  ARG   BBB NH2 1 ? 27 
ATOM   614  N N   . LEU   A 1 75  ? 39.378 -43.822 -15.448 1.000 51.852  0 74  LEU   BBB N   1 ? 27 
ATOM   615  C CA  . LEU   A 1 75  ? 38.008 -44.205 -15.038 1.000 53.827  0 74  LEU   BBB CA  1 ? 27 
ATOM   616  C C   . LEU   A 1 75  ? 37.208 -44.628 -16.269 1.000 53.320  0 74  LEU   BBB C   1 ? 27 
ATOM   617  O O   . LEU   A 1 75  ? 36.424 -45.579 -16.141 1.000 55.462  0 74  LEU   BBB O   1 ? 27 
ATOM   618  C CB  . LEU   A 1 75  ? 37.345 -43.038 -14.296 1.000 55.316  0 74  LEU   BBB CB  1 ? 27 
ATOM   619  C CG  . LEU   A 1 75  ? 37.881 -42.766 -12.887 1.000 57.295  0 74  LEU   BBB CG  1 ? 27 
ATOM   620  C CD1 . LEU   A 1 75  ? 37.368 -41.432 -12.360 1.000 59.977  0 74  LEU   BBB CD1 1 ? 27 
ATOM   621  C CD2 . LEU   A 1 75  ? 37.519 -43.889 -11.930 1.000 58.431  0 74  LEU   BBB CD2 1 ? 27 
ATOM   622  N N   . ASN   A 1 76  ? 37.380 -43.950 -17.406 1.000 52.988  0 75  ASN   BBB N   1 ? 27 
ATOM   623  C CA  . ASN   A 1 76  ? 36.707 -44.322 -18.680 1.000 52.928  0 75  ASN   BBB CA  1 ? 27 
ATOM   624  C C   . ASN   A 1 76  ? 37.212 -45.699 -19.123 1.000 51.501  0 75  ASN   BBB C   1 ? 27 
ATOM   625  O O   . ASN   A 1 76  ? 36.381 -46.537 -19.520 1.000 53.187  0 75  ASN   BBB O   1 ? 27 
ATOM   626  C CB  . ASN   A 1 76  ? 36.897 -43.266 -19.770 1.000 54.766  0 75  ASN   BBB CB  1 ? 27 
ATOM   627  C CG  . ASN   A 1 76  ? 36.129 -41.993 -19.478 1.000 58.713  0 75  ASN   BBB CG  1 ? 27 
ATOM   628  O OD1 . ASN   A 1 76  ? 35.200 -41.994 -18.667 1.000 61.208  0 75  ASN   BBB OD1 1 ? 27 
ATOM   629  N ND2 . ASN   A 1 76  ? 36.524 -40.897 -20.108 1.000 59.051  0 75  ASN   BBB ND2 1 ? 27 
ATOM   630  N N   . GLU   A 1 77  ? 38.516 -45.937 -19.032 1.000 50.901  0 76  GLU   BBB N   1 ? 27 
ATOM   631  C CA  . GLU   A 1 77  ? 39.141 -47.226 -19.446 1.000 51.264  0 76  GLU   BBB CA  1 ? 27 
ATOM   632  C C   . GLU   A 1 77  ? 38.648 -48.350 -18.530 1.000 52.690  0 76  GLU   BBB C   1 ? 27 
ATOM   633  O O   . GLU   A 1 77  ? 38.347 -49.446 -19.049 1.000 52.976  0 76  GLU   BBB O   1 ? 27 
ATOM   634  C CB  . GLU   A 1 77  ? 40.659 -47.119 -19.398 1.000 51.387  0 76  GLU   BBB CB  1 ? 27 
ATOM   635  C CG  . GLU   A 1 77  ? 41.248 -46.250 -20.491 1.000 51.753  0 76  GLU   BBB CG  1 ? 27 
ATOM   636  C CD  . GLU   A 1 77  ? 42.715 -45.914 -20.265 1.000 53.159  0 76  GLU   BBB CD  1 ? 27 
ATOM   637  O OE1 . GLU   A 1 77  ? 43.211 -46.087 -19.129 1.000 54.468  0 76  GLU   BBB OE1 1 ? 27 
ATOM   638  O OE2 . GLU   A 1 77  ? 43.349 -45.469 -21.211 1.000 53.084  0 76  GLU   BBB OE2 1 ? 27 
ATOM   639  N N   . MET   A 1 78  ? 38.567 -48.088 -17.221 1.000 53.698  0 77  MET   BBB N   1 ? 27 
ATOM   640  C CA  . MET   A 1 78  ? 38.072 -49.065 -16.220 1.000 53.579  0 77  MET   BBB CA  1 ? 27 
ATOM   641  C C   . MET   A 1 78  ? 36.643 -49.471 -16.566 1.000 52.923  0 77  MET   BBB C   1 ? 27 
ATOM   642  O O   . MET   A 1 78  ? 36.336 -50.658 -16.549 1.000 53.538  0 77  MET   BBB O   1 ? 27 
ATOM   643  C CB  . MET   A 1 78  ? 38.057 -48.463 -14.819 1.000 58.168  0 77  MET   BBB CB  1 ? 27 
ATOM   644  C CG  . MET   A 1 78  ? 39.401 -48.433 -14.178 1.000 59.867  0 77  MET   BBB CG  1 ? 27 
ATOM   645  S SD  . MET   A 1 78  ? 39.304 -47.761 -12.526 1.000 66.693  0 77  MET   BBB SD  1 ? 27 
ATOM   646  C CE  . MET   A 1 78  ? 38.624 -49.164 -11.642 1.000 64.403  0 77  MET   BBB CE  1 ? 27 
ATOM   647  N N   A HIS   A 1 79  ? 35.784 -48.492 -16.854 0.500 51.236  0 78  HIS   BBB N   1 ? 27 
ATOM   648  N N   B HIS   A 1 79  ? 35.788 -48.493 -16.855 0.500 53.565  0 78  HIS   BBB N   1 ? 27 
ATOM   649  C CA  A HIS   A 1 79  ? 34.358 -48.711 -17.216 0.500 51.741  0 78  HIS   BBB CA  1 ? 27 
ATOM   650  C CA  B HIS   A 1 79  ? 34.365 -48.715 -17.214 0.500 55.565  0 78  HIS   BBB CA  1 ? 27 
ATOM   651  C C   A HIS   A 1 79  ? 34.273 -49.566 -18.490 0.500 52.824  0 78  HIS   BBB C   1 ? 27 
ATOM   652  C C   B HIS   A 1 79  ? 34.274 -49.567 -18.489 0.500 55.044  0 78  HIS   BBB C   1 ? 27 
ATOM   653  O O   A HIS   A 1 79  ? 33.377 -50.424 -18.566 0.500 53.280  0 78  HIS   BBB O   1 ? 27 
ATOM   654  O O   B HIS   A 1 79  ? 33.377 -50.424 -18.565 0.500 55.374  0 78  HIS   BBB O   1 ? 27 
ATOM   655  C CB  A HIS   A 1 79  ? 33.620 -47.372 -17.361 0.500 51.158  0 78  HIS   BBB CB  1 ? 27 
ATOM   656  C CB  B HIS   A 1 79  ? 33.642 -47.376 -17.356 0.500 57.900  0 78  HIS   BBB CB  1 ? 27 
ATOM   657  C CG  A HIS   A 1 79  ? 32.939 -46.902 -16.117 0.500 51.072  0 78  HIS   BBB CG  1 ? 27 
ATOM   658  C CG  B HIS   A 1 79  ? 32.183 -47.536 -17.566 0.500 60.541  0 78  HIS   BBB CG  1 ? 27 
ATOM   659  N ND1 A HIS   A 1 79  ? 33.495 -45.951 -15.274 0.500 49.866  0 78  HIS   BBB ND1 1 ? 27 
ATOM   660  N ND1 B HIS   A 1 79  ? 31.671 -48.235 -18.636 0.500 62.791  0 78  HIS   BBB ND1 1 ? 27 
ATOM   661  C CD2 A HIS   A 1 79  ? 31.747 -47.238 -15.577 0.500 52.186  0 78  HIS   BBB CD2 1 ? 27 
ATOM   662  C CD2 B HIS   A 1 79  ? 31.133 -47.090 -16.854 0.500 64.164  0 78  HIS   BBB CD2 1 ? 27 
ATOM   663  C CE1 A HIS   A 1 79  ? 32.671 -45.720 -14.273 0.500 52.014  0 78  HIS   BBB CE1 1 ? 27 
ATOM   664  C CE1 B HIS   A 1 79  ? 30.360 -48.213 -18.578 0.500 64.187  0 78  HIS   BBB CE1 1 ? 27 
ATOM   665  N NE2 A HIS   A 1 79  ? 31.594 -46.500 -14.438 0.500 53.232  0 78  HIS   BBB NE2 1 ? 27 
ATOM   666  N NE2 B HIS   A 1 79  ? 30.005 -47.512 -17.498 0.500 66.475  0 78  HIS   BBB NE2 1 ? 27 
ATOM   667  N N   . ALA   A 1 80  ? 35.166 -49.348 -19.456 1.000 53.187  0 79  ALA   BBB N   1 ? 27 
ATOM   668  C CA  . ALA   A 1 80  ? 35.205 -50.133 -20.712 1.000 53.714  0 79  ALA   BBB CA  1 ? 27 
ATOM   669  C C   . ALA   A 1 80  ? 35.671 -51.574 -20.420 1.000 54.781  0 79  ALA   BBB C   1 ? 27 
ATOM   670  O O   . ALA   A 1 80  ? 35.086 -52.495 -20.994 1.000 56.778  0 79  ALA   BBB O   1 ? 27 
ATOM   671  C CB  . ALA   A 1 80  ? 36.081 -49.436 -21.730 1.000 52.998  0 79  ALA   BBB CB  1 ? 27 
ATOM   672  N N   . ALA   A 1 81  ? 36.645 -51.765 -19.523 1.000 54.240  0 80  ALA   BBB N   1 ? 27 
ATOM   673  C CA  . ALA   A 1 81  ? 37.413 -53.028 -19.366 1.000 55.678  0 80  ALA   BBB CA  1 ? 27 
ATOM   674  C C   . ALA   A 1 81  ? 36.887 -53.897 -18.217 1.000 56.578  0 80  ALA   BBB C   1 ? 27 
ATOM   675  O O   . ALA   A 1 81  ? 37.121 -55.098 -18.280 1.000 57.340  0 80  ALA   BBB O   1 ? 27 
ATOM   676  C CB  . ALA   A 1 81  ? 38.878 -52.717 -19.156 1.000 56.410  0 80  ALA   BBB CB  1 ? 27 
ATOM   677  N N   . GLU   A 1 82  ? 36.246 -53.325 -17.192 1.000 57.823  0 81  GLU   BBB N   1 ? 27 
ATOM   678  C CA  . GLU   A 1 82  ? 35.956 -54.025 -15.905 1.000 61.396  0 81  GLU   BBB CA  1 ? 27 
ATOM   679  C C   . GLU   A 1 82  ? 34.449 -54.148 -15.693 1.000 62.994  0 81  GLU   BBB C   1 ? 27 
ATOM   680  O O   . GLU   A 1 82  ? 33.805 -53.176 -15.315 1.000 61.761  0 81  GLU   BBB O   1 ? 27 
ATOM   681  C CB  . GLU   A 1 82  ? 36.590 -53.275 -14.732 1.000 62.298  0 81  GLU   BBB CB  1 ? 27 
ATOM   682  C CG  . GLU   A 1 82  ? 38.109 -53.193 -14.802 1.000 62.881  0 81  GLU   BBB CG  1 ? 27 
ATOM   683  C CD  . GLU   A 1 82  ? 38.834 -54.507 -14.552 1.000 66.035  0 81  GLU   BBB CD  1 ? 27 
ATOM   684  O OE1 . GLU   A 1 82  ? 38.245 -55.409 -13.914 1.000 66.261  0 81  GLU   BBB OE1 1 ? 27 
ATOM   685  O OE2 . GLU   A 1 82  ? 39.996 -54.623 -14.988 1.000 66.488  0 81  GLU   BBB OE2 1 ? 27 
ATOM   686  N N   . PRO   A 1 83  ? 33.842 -55.343 -15.891 1.000 74.861  0 82  PRO   BBB N   1 ? 28 
ATOM   687  C CA  . PRO   A 1 83  ? 32.425 -55.566 -15.576 1.000 75.587  0 82  PRO   BBB CA  1 ? 28 
ATOM   688  C C   . PRO   A 1 83  ? 32.006 -55.175 -14.147 1.000 76.773  0 82  PRO   BBB C   1 ? 28 
ATOM   689  O O   . PRO   A 1 83  ? 30.863 -54.788 -13.957 1.000 76.507  0 82  PRO   BBB O   1 ? 28 
ATOM   690  C CB  . PRO   A 1 83  ? 32.249 -57.085 -15.746 1.000 76.081  0 82  PRO   BBB CB  1 ? 28 
ATOM   691  C CG  . PRO   A 1 83  ? 33.341 -57.490 -16.716 1.000 75.584  0 82  PRO   BBB CG  1 ? 28 
ATOM   692  C CD  . PRO   A 1 83  ? 34.489 -56.544 -16.441 1.000 75.369  0 82  PRO   BBB CD  1 ? 28 
ATOM   693  N N   . GLN   A 1 84  ? 32.932 -55.299 -13.192 1.000 78.852  0 83  GLN   BBB N   1 ? 28 
ATOM   694  C CA  . GLN   A 1 84  ? 32.750 -54.930 -11.761 1.000 82.324  0 83  GLN   BBB CA  1 ? 28 
ATOM   695  C C   . GLN   A 1 84  ? 32.482 -53.421 -11.623 1.000 82.017  0 83  GLN   BBB C   1 ? 28 
ATOM   696  O O   . GLN   A 1 84  ? 31.715 -53.045 -10.714 1.000 84.113  0 83  GLN   BBB O   1 ? 28 
ATOM   697  C CB  . GLN   A 1 84  ? 33.992 -55.353 -10.975 1.000 85.976  0 83  GLN   BBB CB  1 ? 28 
ATOM   698  C CG  . GLN   A 1 84  ? 33.848 -55.252 -9.464  1.000 90.151  0 83  GLN   BBB CG  1 ? 28 
ATOM   699  C CD  . GLN   A 1 84  ? 35.118 -55.642 -8.747  1.000 93.298  0 83  GLN   BBB CD  1 ? 28 
ATOM   700  O OE1 . GLN   A 1 84  ? 35.812 -56.592 -9.116  1.000 91.441  0 83  GLN   BBB OE1 1 ? 28 
ATOM   701  N NE2 . GLN   A 1 84  ? 35.430 -54.902 -7.697  1.000 95.770  0 83  GLN   BBB NE2 1 ? 28 
ATOM   702  N N   . MET   A 1 85  ? 33.092 -52.586 -12.474 1.000 79.760  0 84  MET   BBB N   1 ? 28 
ATOM   703  C CA  . MET   A 1 85  ? 32.920 -51.104 -12.456 1.000 78.445  0 84  MET   BBB CA  1 ? 28 
ATOM   704  C C   . MET   A 1 85  ? 31.474 -50.754 -12.844 1.000 78.258  0 84  MET   BBB C   1 ? 28 
ATOM   705  O O   . MET   A 1 85  ? 30.851 -49.949 -12.137 1.000 76.379  0 84  MET   BBB O   1 ? 28 
ATOM   706  C CB  . MET   A 1 85  ? 33.902 -50.411 -13.410 1.000 78.674  0 84  MET   BBB CB  1 ? 28 
ATOM   707  C CG  . MET   A 1 85  ? 33.979 -48.892 -13.252 1.000 78.237  0 84  MET   BBB CG  1 ? 28 
ATOM   708  S SD  . MET   A 1 85  ? 34.994 -48.398 -11.823 1.000 78.982  0 84  MET   BBB SD  1 ? 28 
ATOM   709  C CE  . MET   A 1 85  ? 34.682 -46.635 -11.790 1.000 81.985  0 84  MET   BBB CE  1 ? 28 
ATOM   710  N N   . ARG   A 1 86  ? 30.947 -51.377 -13.902 1.000 80.360  0 85  ARG   BBB N   1 ? 28 
ATOM   711  C CA  . ARG   A 1 86  ? 29.572 -51.137 -14.423 1.000 84.374  0 85  ARG   BBB CA  1 ? 28 
ATOM   712  C C   . ARG   A 1 86  ? 28.531 -51.564 -13.382 1.000 87.042  0 85  ARG   BBB C   1 ? 28 
ATOM   713  O O   . ARG   A 1 86  ? 27.499 -50.872 -13.274 1.000 88.753  0 85  ARG   BBB O   1 ? 28 
ATOM   714  C CB  . ARG   A 1 86  ? 29.391 -51.856 -15.761 1.000 85.755  0 85  ARG   BBB CB  1 ? 28 
ATOM   715  C CG  . ARG   A 1 86  ? 30.418 -51.400 -16.789 1.000 86.214  0 85  ARG   BBB CG  1 ? 28 
ATOM   716  C CD  . ARG   A 1 86  ? 30.062 -51.714 -18.229 1.000 87.854  0 85  ARG   BBB CD  1 ? 28 
ATOM   717  N NE  . ARG   A 1 86  ? 30.313 -53.097 -18.583 1.000 88.097  0 85  ARG   BBB NE  1 ? 28 
ATOM   718  C CZ  . ARG   A 1 86  ? 31.509 -53.631 -18.842 1.000 88.391  0 85  ARG   BBB CZ  1 ? 28 
ATOM   719  N NH1 . ARG   A 1 86  ? 32.619 -52.912 -18.786 1.000 88.147  0 85  ARG   BBB NH1 1 ? 28 
ATOM   720  N NH2 . ARG   A 1 86  ? 31.586 -54.910 -19.164 1.000 86.278  0 85  ARG   BBB NH2 1 ? 28 
ATOM   721  N N   . GLU   A 1 87  ? 28.785 -52.660 -12.657 1.000 88.871  0 86  GLU   BBB N   1 ? 28 
ATOM   722  C CA  . GLU   A 1 87  ? 27.918 -53.168 -11.552 1.000 92.547  0 86  GLU   BBB CA  1 ? 28 
ATOM   723  C C   . GLU   A 1 87  ? 27.892 -52.140 -10.414 1.000 88.738  0 86  GLU   BBB C   1 ? 28 
ATOM   724  O O   . GLU   A 1 87  ? 26.798 -51.739 -10.014 1.000 89.610  0 86  GLU   BBB O   1 ? 28 
ATOM   725  C CB  . GLU   A 1 87  ? 28.438 -54.517 -11.046 1.000 98.588  0 86  GLU   BBB CB  1 ? 28 
ATOM   726  C CG  . GLU   A 1 87  ? 27.600 -55.166 -9.956  1.000 104.417 0 86  GLU   BBB CG  1 ? 28 
ATOM   727  C CD  . GLU   A 1 87  ? 26.182 -55.531 -10.363 1.000 109.139 0 86  GLU   BBB CD  1 ? 28 
ATOM   728  O OE1 . GLU   A 1 87  ? 25.984 -56.047 -11.488 1.000 112.029 0 86  GLU   BBB OE1 1 ? 28 
ATOM   729  O OE2 . GLU   A 1 87  ? 25.274 -55.303 -9.549  1.000 111.762 0 86  GLU   BBB OE2 1 ? 28 
ATOM   730  N N   . GLN   A 1 88  ? 29.071 -51.746 -9.926  1.000 85.823  0 87  GLN   BBB N   1 ? 28 
ATOM   731  C CA  . GLN   A 1 88  ? 29.288 -50.791 -8.802  1.000 86.150  0 87  GLN   BBB CA  1 ? 28 
ATOM   732  C C   . GLN   A 1 88  ? 28.564 -49.455 -9.063  1.000 83.199  0 87  GLN   BBB C   1 ? 28 
ATOM   733  O O   . GLN   A 1 88  ? 27.890 -48.981 -8.130  1.000 83.211  0 87  GLN   BBB O   1 ? 28 
ATOM   734  C CB  . GLN   A 1 88  ? 30.798 -50.618 -8.606  1.000 90.160  0 87  GLN   BBB CB  1 ? 28 
ATOM   735  C CG  . GLN   A 1 88  ? 31.224 -49.752 -7.427  1.000 94.697  0 87  GLN   BBB CG  1 ? 28 
ATOM   736  C CD  . GLN   A 1 88  ? 32.709 -49.466 -7.471  1.000 100.655 0 87  GLN   BBB CD  1 ? 28 
ATOM   737  O OE1 . GLN   A 1 88  ? 33.199 -48.710 -8.314  1.000 103.417 0 87  GLN   BBB OE1 1 ? 28 
ATOM   738  N NE2 . GLN   A 1 88  ? 33.455 -50.074 -6.559  1.000 103.283 0 87  GLN   BBB NE2 1 ? 28 
ATOM   739  N N   . THR   A 1 89  ? 28.678 -48.871 -10.268 1.000 77.186  0 88  THR   BBB N   1 ? 28 
ATOM   740  C CA  . THR   A 1 89  ? 28.280 -47.463 -10.568 1.000 72.916  0 88  THR   BBB CA  1 ? 28 
ATOM   741  C C   . THR   A 1 89  ? 26.911 -47.372 -11.261 1.000 72.145  0 88  THR   BBB C   1 ? 28 
ATOM   742  O O   . THR   A 1 89  ? 26.220 -46.347 -11.045 1.000 73.119  0 88  THR   BBB O   1 ? 28 
ATOM   743  C CB  . THR   A 1 89  ? 29.334 -46.748 -11.425 1.000 71.974  0 88  THR   BBB CB  1 ? 28 
ATOM   744  O OG1 . THR   A 1 89  ? 29.333 -47.310 -12.739 1.000 69.142  0 88  THR   BBB OG1 1 ? 28 
ATOM   745  C CG2 . THR   A 1 89  ? 30.720 -46.822 -10.827 1.000 71.326  0 88  THR   BBB CG2 1 ? 28 
ATOM   746  N N   . GLY   A 1 90  ? 26.543 -48.358 -12.087 1.000 81.334  0 89  GLY   BBB N   1 ? 29 
ATOM   747  C CA  . GLY   A 1 90  ? 25.339 -48.302 -12.943 1.000 81.889  0 89  GLY   BBB CA  1 ? 29 
ATOM   748  C C   . GLY   A 1 90  ? 25.548 -47.454 -14.196 1.000 80.013  0 89  GLY   BBB C   1 ? 29 
ATOM   749  O O   . GLY   A 1 90  ? 24.576 -47.249 -14.955 1.000 79.519  0 89  GLY   BBB O   1 ? 29 
ATOM   750  N N   . VAL   A 1 91  ? 26.766 -46.949 -14.410 1.000 77.349  0 90  VAL   BBB N   1 ? 29 
ATOM   751  C CA  . VAL   A 1 91  ? 27.150 -46.136 -15.602 1.000 75.221  0 90  VAL   BBB CA  1 ? 29 
ATOM   752  C C   . VAL   A 1 91  ? 27.458 -47.108 -16.748 1.000 78.201  0 90  VAL   BBB C   1 ? 29 
ATOM   753  O O   . VAL   A 1 91  ? 28.398 -47.924 -16.587 1.000 77.183  0 90  VAL   BBB O   1 ? 29 
ATOM   754  C CB  . VAL   A 1 91  ? 28.361 -45.238 -15.292 1.000 72.044  0 90  VAL   BBB CB  1 ? 29 
ATOM   755  C CG1 . VAL   A 1 91  ? 28.807 -44.450 -16.511 1.000 71.391  0 90  VAL   BBB CG1 1 ? 29 
ATOM   756  C CG2 . VAL   A 1 91  ? 28.077 -44.312 -14.126 1.000 71.444  0 90  VAL   BBB CG2 1 ? 29 
ATOM   757  N N   . THR   A 1 92  ? 26.697 -47.021 -17.847 1.000 80.097  0 91  THR   BBB N   1 ? 29 
ATOM   758  C CA  . THR   A 1 92  ? 26.838 -47.869 -19.065 1.000 84.573  0 91  THR   BBB CA  1 ? 29 
ATOM   759  C C   . THR   A 1 92  ? 27.545 -47.068 -20.156 1.000 82.511  0 91  THR   BBB C   1 ? 29 
ATOM   760  O O   . THR   A 1 92  ? 27.552 -45.838 -20.112 1.000 79.691  0 91  THR   BBB O   1 ? 29 
ATOM   761  C CB  . THR   A 1 92  ? 25.473 -48.385 -19.545 1.000 88.060  0 91  THR   BBB CB  1 ? 29 
ATOM   762  O OG1 . THR   A 1 92  ? 24.670 -47.281 -19.965 1.000 86.937  0 91  THR   BBB OG1 1 ? 29 
ATOM   763  C CG2 . THR   A 1 92  ? 24.731 -49.162 -18.480 1.000 89.619  0 91  THR   BBB CG2 1 ? 29 
ATOM   764  N N   . PRO   A 1 93  ? 28.158 -47.723 -21.172 1.000 85.189  0 92  PRO   BBB N   1 ? 29 
ATOM   765  C CA  . PRO   A 1 93  ? 28.814 -46.998 -22.262 1.000 84.265  0 92  PRO   BBB CA  1 ? 29 
ATOM   766  C C   . PRO   A 1 93  ? 27.841 -46.092 -23.034 1.000 82.079  0 92  PRO   BBB C   1 ? 29 
ATOM   767  O O   . PRO   A 1 93  ? 28.259 -45.040 -23.467 1.000 79.636  0 92  PRO   BBB O   1 ? 29 
ATOM   768  C CB  . PRO   A 1 93  ? 29.367 -48.107 -23.176 1.000 89.517  0 92  PRO   BBB CB  1 ? 29 
ATOM   769  C CG  . PRO   A 1 93  ? 28.572 -49.346 -22.805 1.000 92.210  0 92  PRO   BBB CG  1 ? 29 
ATOM   770  C CD  . PRO   A 1 93  ? 28.252 -49.183 -21.337 1.000 89.190  0 92  PRO   BBB CD  1 ? 29 
ATOM   771  N N   . GLU   A 1 94  ? 26.584 -46.530 -23.187 1.000 84.946  0 93  GLU   BBB N   1 ? 29 
ATOM   772  C CA  . GLU   A 1 94  ? 25.489 -45.747 -23.823 1.000 85.047  0 93  GLU   BBB CA  1 ? 29 
ATOM   773  C C   . GLU   A 1 94  ? 25.295 -44.449 -23.033 1.000 78.884  0 93  GLU   BBB C   1 ? 29 
ATOM   774  O O   . GLU   A 1 94  ? 25.103 -43.399 -23.664 1.000 76.722  0 93  GLU   BBB O   1 ? 29 
ATOM   775  C CB  . GLU   A 1 94  ? 24.174 -46.534 -23.842 1.000 91.138  0 93  GLU   BBB CB  1 ? 29 
ATOM   776  C CG  . GLU   A 1 94  ? 24.187 -47.748 -24.757 1.000 98.217  0 93  GLU   BBB CG  1 ? 29 
ATOM   777  C CD  . GLU   A 1 94  ? 24.695 -49.045 -24.140 1.000 102.656 0 93  GLU   BBB CD  1 ? 29 
ATOM   778  O OE1 . GLU   A 1 94  ? 24.678 -49.175 -22.898 1.000 101.242 0 93  GLU   BBB OE1 1 ? 29 
ATOM   779  O OE2 . GLU   A 1 94  ? 25.099 -49.936 -24.911 1.000 110.637 0 93  GLU   BBB OE2 1 ? 29 
ATOM   780  N N   . MET   A 1 95  ? 25.342 -44.546 -21.701 1.000 74.975  0 94  MET   BBB N   1 ? 29 
ATOM   781  C CA  . MET   A 1 95  ? 25.124 -43.415 -20.764 1.000 71.513  0 94  MET   BBB CA  1 ? 29 
ATOM   782  C C   . MET   A 1 95  ? 26.281 -42.421 -20.904 1.000 66.892  0 94  MET   BBB C   1 ? 29 
ATOM   783  O O   . MET   A 1 95  ? 26.011 -41.227 -21.009 1.000 62.179  0 94  MET   BBB O   1 ? 29 
ATOM   784  C CB  . MET   A 1 95  ? 25.043 -43.906 -19.318 1.000 71.072  0 94  MET   BBB CB  1 ? 29 
ATOM   785  C CG  . MET   A 1 95  ? 24.445 -42.882 -18.378 1.000 69.948  0 94  MET   BBB CG  1 ? 29 
ATOM   786  S SD  . MET   A 1 95  ? 24.301 -43.512 -16.691 1.000 70.130  0 94  MET   BBB SD  1 ? 29 
ATOM   787  C CE  . MET   A 1 95  ? 22.893 -44.612 -16.833 1.000 72.961  0 94  MET   BBB CE  1 ? 29 
ATOM   788  N N   . ILE   A 1 96  ? 27.523 -42.908 -20.909 1.000 67.974  0 95  ILE   BBB N   1 ? 29 
ATOM   789  C CA  . ILE   A 1 96  ? 28.731 -42.049 -21.085 1.000 66.984  0 95  ILE   BBB CA  1 ? 29 
ATOM   790  C C   . ILE   A 1 96  ? 28.609 -41.308 -22.422 1.000 66.274  0 95  ILE   BBB C   1 ? 29 
ATOM   791  O O   . ILE   A 1 96  ? 28.934 -40.111 -22.457 1.000 64.003  0 95  ILE   BBB O   1 ? 29 
ATOM   792  C CB  . ILE   A 1 96  ? 30.021 -42.886 -20.966 1.000 69.107  0 95  ILE   BBB CB  1 ? 29 
ATOM   793  C CG1 . ILE   A 1 96  ? 30.234 -43.327 -19.518 1.000 69.364  0 95  ILE   BBB CG1 1 ? 29 
ATOM   794  C CG2 . ILE   A 1 96  ? 31.224 -42.133 -21.518 1.000 69.190  0 95  ILE   BBB CG2 1 ? 29 
ATOM   795  C CD1 . ILE   A 1 96  ? 31.418 -44.238 -19.301 1.000 73.610  0 95  ILE   BBB CD1 1 ? 29 
ATOM   796  N N   . ASP   A 1 97  ? 28.125 -41.984 -23.471 1.000 70.035  0 96  ASP   BBB N   1 ? 29 
ATOM   797  C CA  . ASP   A 1 97  ? 27.984 -41.397 -24.829 1.000 68.564  0 96  ASP   BBB CA  1 ? 29 
ATOM   798  C C   . ASP   A 1 97  ? 26.896 -40.320 -24.797 1.000 65.135  0 96  ASP   BBB C   1 ? 29 
ATOM   799  O O   . ASP   A 1 97  ? 27.116 -39.235 -25.364 1.000 64.564  0 96  ASP   BBB O   1 ? 29 
ATOM   800  C CB  . ASP   A 1 97  ? 27.668 -42.460 -25.880 1.000 75.954  0 96  ASP   BBB CB  1 ? 29 
ATOM   801  C CG  . ASP   A 1 97  ? 27.672 -41.875 -27.284 1.000 79.332  0 96  ASP   BBB CG  1 ? 29 
ATOM   802  O OD1 . ASP   A 1 97  ? 28.752 -41.421 -27.730 1.000 79.915  0 96  ASP   BBB OD1 1 ? 29 
ATOM   803  O OD2 . ASP   A 1 97  ? 26.586 -41.820 -27.897 1.000 81.035  0 96  ASP   BBB OD2 1 ? 29 
ATOM   804  N N   . PHE   A 1 98  ? 25.764 -40.598 -24.151 1.000 64.633  0 97  PHE   BBB N   1 ? 29 
ATOM   805  C CA  . PHE   A 1 98  ? 24.639 -39.636 -24.004 1.000 63.468  0 97  PHE   BBB CA  1 ? 29 
ATOM   806  C C   . PHE   A 1 98  ? 25.162 -38.376 -23.305 1.000 58.250  0 97  PHE   BBB C   1 ? 29 
ATOM   807  O O   . PHE   A 1 98  ? 24.953 -37.266 -23.826 1.000 56.025  0 97  PHE   BBB O   1 ? 29 
ATOM   808  C CB  . PHE   A 1 98  ? 23.462 -40.278 -23.258 1.000 68.151  0 97  PHE   BBB CB  1 ? 29 
ATOM   809  C CG  . PHE   A 1 98  ? 22.366 -39.308 -22.904 1.000 70.384  0 97  PHE   BBB CG  1 ? 29 
ATOM   810  C CD1 . PHE   A 1 98  ? 21.541 -38.784 -23.889 1.000 73.168  0 97  PHE   BBB CD1 1 ? 29 
ATOM   811  C CD2 . PHE   A 1 98  ? 22.190 -38.880 -21.596 1.000 69.449  0 97  PHE   BBB CD2 1 ? 29 
ATOM   812  C CE1 . PHE   A 1 98  ? 20.553 -37.867 -23.572 1.000 73.988  0 97  PHE   BBB CE1 1 ? 29 
ATOM   813  C CE2 . PHE   A 1 98  ? 21.181 -37.985 -21.278 1.000 71.088  0 97  PHE   BBB CE2 1 ? 29 
ATOM   814  C CZ  . PHE   A 1 98  ? 20.368 -37.477 -22.268 1.000 73.734  0 97  PHE   BBB CZ  1 ? 29 
ATOM   815  N N   . ILE   A 1 99  ? 25.857 -38.554 -22.179 1.000 56.547  0 98  ILE   BBB N   1 ? 29 
ATOM   816  C CA  . ILE   A 1 99  ? 26.431 -37.439 -21.370 1.000 54.635  0 98  ILE   BBB CA  1 ? 29 
ATOM   817  C C   . ILE   A 1 99  ? 27.469 -36.694 -22.217 1.000 52.209  0 98  ILE   BBB C   1 ? 29 
ATOM   818  O O   . ILE   A 1 99  ? 27.482 -35.455 -22.181 1.000 51.683  0 98  ILE   BBB O   1 ? 29 
ATOM   819  C CB  . ILE   A 1 99  ? 26.994 -37.956 -20.028 1.000 54.636  0 98  ILE   BBB CB  1 ? 29 
ATOM   820  C CG1 . ILE   A 1 99  ? 25.879 -38.452 -19.099 1.000 56.155  0 98  ILE   BBB CG1 1 ? 29 
ATOM   821  C CG2 . ILE   A 1 99  ? 27.827 -36.885 -19.344 1.000 53.969  0 98  ILE   BBB CG2 1 ? 29 
ATOM   822  C CD1 . ILE   A 1 99  ? 24.884 -37.373 -18.697 1.000 56.775  0 98  ILE   BBB CD1 1 ? 29 
ATOM   823  N N   . THR   A 1 100 ? 28.284 -37.410 -22.988 1.000 53.370  0 99  THR   BBB N   1 ? 29 
ATOM   824  C CA  . THR   A 1 100 ? 29.321 -36.806 -23.871 1.000 53.333  0 99  THR   BBB CA  1 ? 29 
ATOM   825  C C   . THR   A 1 100 ? 28.650 -35.865 -24.886 1.000 51.026  0 99  THR   BBB C   1 ? 29 
ATOM   826  O O   . THR   A 1 100 ? 29.126 -34.716 -25.033 1.000 49.613  0 99  THR   BBB O   1 ? 29 
ATOM   827  C CB  . THR   A 1 100 ? 30.176 -37.881 -24.546 1.000 56.607  0 99  THR   BBB CB  1 ? 29 
ATOM   828  O OG1 . THR   A 1 100 ? 30.800 -38.644 -23.512 1.000 60.838  0 99  THR   BBB OG1 1 ? 29 
ATOM   829  C CG2 . THR   A 1 100 ? 31.237 -37.294 -25.451 1.000 58.165  0 99  THR   BBB CG2 1 ? 29 
ATOM   830  N N   . ARG   A 1 101 ? 27.571 -36.319 -25.529 1.000 51.862  0 100 ARG   BBB N   1 ? 29 
ATOM   831  C CA  . ARG   A 1 101 ? 26.835 -35.542 -26.561 1.000 51.973  0 100 ARG   BBB CA  1 ? 29 
ATOM   832  C C   . ARG   A 1 101 ? 26.101 -34.359 -25.915 1.000 50.644  0 100 ARG   BBB C   1 ? 29 
ATOM   833  O O   . ARG   A 1 101 ? 26.170 -33.239 -26.477 1.000 49.650  0 100 ARG   BBB O   1 ? 29 
ATOM   834  C CB  . ARG   A 1 101 ? 25.910 -36.470 -27.351 1.000 55.526  0 100 ARG   BBB CB  1 ? 29 
ATOM   835  C CG  . ARG   A 1 101 ? 26.666 -37.402 -28.290 1.000 58.505  0 100 ARG   BBB CG  1 ? 29 
ATOM   836  C CD  . ARG   A 1 101 ? 25.769 -38.249 -29.166 1.000 61.887  0 100 ARG   BBB CD  1 ? 29 
ATOM   837  N NE  . ARG   A 1 101 ? 25.152 -39.335 -28.418 1.000 65.323  0 100 ARG   BBB NE  1 ? 29 
ATOM   838  C CZ  . ARG   A 1 101 ? 23.883 -39.387 -28.009 1.000 66.542  0 100 ARG   BBB CZ  1 ? 29 
ATOM   839  N NH1 . ARG   A 1 101 ? 23.047 -38.394 -28.260 1.000 66.149  0 100 ARG   BBB NH1 1 ? 29 
ATOM   840  N NH2 . ARG   A 1 101 ? 23.453 -40.444 -27.343 1.000 68.033  0 100 ARG   BBB NH2 1 ? 29 
ATOM   841  N N   . ALA   A 1 102 ? 25.442 -34.568 -24.774 1.000 49.979  0 101 ALA   BBB N   1 ? 29 
ATOM   842  C CA  . ALA   A 1 102 ? 24.740 -33.485 -24.044 1.000 49.146  0 101 ALA   BBB CA  1 ? 29 
ATOM   843  C C   . ALA   A 1 102 ? 25.754 -32.430 -23.595 1.000 47.204  0 101 ALA   BBB C   1 ? 29 
ATOM   844  O O   . ALA   A 1 102 ? 25.416 -31.223 -23.652 1.000 46.785  0 101 ALA   BBB O   1 ? 29 
ATOM   845  C CB  . ALA   A 1 102 ? 23.963 -34.041 -22.875 1.000 50.641  0 101 ALA   BBB CB  1 ? 29 
ATOM   846  N N   . PHE   A 1 103 ? 26.943 -32.843 -23.150 1.000 45.743  0 102 PHE   BBB N   1 ? 29 
ATOM   847  C CA  . PHE   A 1 103 ? 27.999 -31.911 -22.676 1.000 46.290  0 102 PHE   BBB CA  1 ? 29 
ATOM   848  C C   . PHE   A 1 103 ? 28.457 -31.031 -23.840 1.000 45.298  0 102 PHE   BBB C   1 ? 29 
ATOM   849  O O   . PHE   A 1 103 ? 28.584 -29.799 -23.666 1.000 48.902  0 102 PHE   BBB O   1 ? 29 
ATOM   850  C CB  . PHE   A 1 103 ? 29.167 -32.661 -22.030 1.000 46.758  0 102 PHE   BBB CB  1 ? 29 
ATOM   851  C CG  . PHE   A 1 103 ? 30.143 -31.777 -21.295 1.000 48.138  0 102 PHE   BBB CG  1 ? 29 
ATOM   852  C CD1 . PHE   A 1 103 ? 29.710 -30.925 -20.292 1.000 48.991  0 102 PHE   BBB CD1 1 ? 29 
ATOM   853  C CD2 . PHE   A 1 103 ? 31.494 -31.799 -21.592 1.000 49.395  0 102 PHE   BBB CD2 1 ? 29 
ATOM   854  C CE1 . PHE   A 1 103 ? 30.599 -30.122 -19.598 1.000 50.761  0 102 PHE   BBB CE1 1 ? 29 
ATOM   855  C CE2 . PHE   A 1 103 ? 32.384 -30.995 -20.897 1.000 50.893  0 102 PHE   BBB CE2 1 ? 29 
ATOM   856  C CZ  . PHE   A 1 103 ? 31.936 -30.157 -19.900 1.000 51.609  0 102 PHE   BBB CZ  1 ? 29 
ATOM   857  N N   . ALA   A 1 104 ? 28.661 -31.635 -25.006 1.000 47.253  0 103 ALA   BBB N   1 ? 29 
ATOM   858  C CA  . ALA   A 1 104 ? 28.997 -30.919 -26.265 1.000 46.004  0 103 ALA   BBB CA  1 ? 29 
ATOM   859  C C   . ALA   A 1 104 ? 27.899 -29.889 -26.567 1.000 46.133  0 103 ALA   BBB C   1 ? 29 
ATOM   860  O O   . ALA   A 1 104 ? 28.238 -28.709 -26.837 1.000 46.511  0 103 ALA   BBB O   1 ? 29 
ATOM   861  C CB  . ALA   A 1 104 ? 29.151 -31.922 -27.377 1.000 46.647  0 103 ALA   BBB CB  1 ? 29 
ATOM   862  N N   . GLU   A 1 105 ? 26.619 -30.290 -26.466 1.000 48.317  0 104 GLU   BBB N   1 ? 29 
ATOM   863  C CA  . GLU   A 1 105 ? 25.475 -29.372 -26.711 1.000 49.351  0 104 GLU   BBB CA  1 ? 29 
ATOM   864  C C   . GLU   A 1 105 ? 25.530 -28.190 -25.735 1.000 49.974  0 104 GLU   BBB C   1 ? 29 
ATOM   865  O O   . GLU   A 1 105 ? 25.136 -27.092 -26.134 1.000 52.914  0 104 GLU   BBB O   1 ? 29 
ATOM   866  C CB  . GLU   A 1 105 ? 24.128 -30.079 -26.587 1.000 51.661  0 104 GLU   BBB CB  1 ? 29 
ATOM   867  C CG  . GLU   A 1 105 ? 23.885 -31.123 -27.657 1.000 54.138  0 104 GLU   BBB CG  1 ? 29 
ATOM   868  C CD  . GLU   A 1 105 ? 23.773 -30.622 -29.083 1.000 53.680  0 104 GLU   BBB CD  1 ? 29 
ATOM   869  O OE1 . GLU   A 1 105 ? 23.591 -29.422 -29.291 1.000 53.785  0 104 GLU   BBB OE1 1 ? 29 
ATOM   870  O OE2 . GLU   A 1 105 ? 23.850 -31.452 -29.993 1.000 58.970  0 104 GLU   BBB OE2 1 ? 29 
ATOM   871  N N   . SER   A 1 106 ? 25.973 -28.395 -24.496 1.000 50.249  0 105 SER   BBB N   1 ? 29 
ATOM   872  C CA  . SER   A 1 106 ? 26.010 -27.329 -23.464 1.000 50.737  0 105 SER   BBB CA  1 ? 29 
ATOM   873  C C   . SER   A 1 106 ? 27.027 -26.273 -23.887 1.000 48.268  0 105 SER   BBB C   1 ? 29 
ATOM   874  O O   . SER   A 1 106 ? 26.778 -25.094 -23.641 1.000 51.034  0 105 SER   BBB O   1 ? 29 
ATOM   875  C CB  . SER   A 1 106 ? 26.295 -27.874 -22.083 1.000 52.278  0 105 SER   BBB CB  1 ? 29 
ATOM   876  O OG  . SER   A 1 106 ? 27.672 -28.172 -21.914 1.000 53.891  0 105 SER   BBB OG  1 ? 29 
ATOM   877  N N   . LYS   A 1 107 ? 28.124 -26.680 -24.517 1.000 46.409  0 106 LYS   BBB N   1 ? 29 
ATOM   878  C CA  . LYS   A 1 107 ? 29.145 -25.723 -25.033 1.000 47.806  0 106 LYS   BBB CA  1 ? 29 
ATOM   879  C C   . LYS   A 1 107 ? 28.624 -25.049 -26.310 1.000 44.848  0 106 LYS   BBB C   1 ? 29 
ATOM   880  O O   . LYS   A 1 107 ? 28.747 -23.841 -26.410 1.000 43.407  0 106 LYS   BBB O   1 ? 29 
ATOM   881  C CB  . LYS   A 1 107 ? 30.466 -26.454 -25.308 1.000 48.856  0 106 LYS   BBB CB  1 ? 29 
ATOM   882  C CG  . LYS   A 1 107 ? 31.050 -27.204 -24.117 1.000 51.084  0 106 LYS   BBB CG  1 ? 29 
ATOM   883  C CD  . LYS   A 1 107 ? 31.169 -26.368 -22.865 1.000 51.729  0 106 LYS   BBB CD  1 ? 29 
ATOM   884  C CE  . LYS   A 1 107 ? 31.744 -27.153 -21.711 1.000 54.731  0 106 LYS   BBB CE  1 ? 29 
ATOM   885  N NZ  . LYS   A 1 107 ? 31.324 -26.631 -20.384 1.000 57.108  0 106 LYS   BBB NZ  1 ? 29 
ATOM   886  N N   . LEU   A 1 108 ? 28.079 -25.825 -27.254 1.000 44.635  0 107 LEU   BBB N   1 ? 29 
ATOM   887  C CA  . LEU   A 1 108 ? 27.561 -25.322 -28.553 1.000 44.245  0 107 LEU   BBB CA  1 ? 29 
ATOM   888  C C   . LEU   A 1 108 ? 26.425 -24.323 -28.309 1.000 46.904  0 107 LEU   BBB C   1 ? 29 
ATOM   889  O O   . LEU   A 1 108 ? 26.334 -23.360 -29.074 1.000 46.832  0 107 LEU   BBB O   1 ? 29 
ATOM   890  C CB  . LEU   A 1 108 ? 27.093 -26.503 -29.407 1.000 44.757  0 107 LEU   BBB CB  1 ? 29 
ATOM   891  C CG  . LEU   A 1 108 ? 28.214 -27.391 -29.927 1.000 43.077  0 107 LEU   BBB CG  1 ? 29 
ATOM   892  C CD1 . LEU   A 1 108 ? 27.694 -28.723 -30.424 1.000 43.489  0 107 LEU   BBB CD1 1 ? 29 
ATOM   893  C CD2 . LEU   A 1 108 ? 28.993 -26.678 -31.027 1.000 44.019  0 107 LEU   BBB CD2 1 ? 29 
ATOM   894  N N   . ALA   A 1 109 ? 25.614 -24.501 -27.261 1.000 47.637  0 108 ALA   BBB N   1 ? 29 
ATOM   895  C CA  . ALA   A 1 109 ? 24.489 -23.585 -26.967 1.000 48.948  0 108 ALA   BBB CA  1 ? 29 
ATOM   896  C C   . ALA   A 1 109 ? 25.037 -22.212 -26.579 1.000 50.952  0 108 ALA   BBB C   1 ? 29 
ATOM   897  O O   . ALA   A 1 109 ? 24.395 -21.191 -26.924 1.000 54.551  0 108 ALA   BBB O   1 ? 29 
ATOM   898  C CB  . ALA   A 1 109 ? 23.587 -24.155 -25.901 1.000 49.453  0 108 ALA   BBB CB  1 ? 29 
ATOM   899  N N   . ILE   A 1 110 ? 26.174 -22.167 -25.878 1.000 50.576  0 109 ILE   BBB N   1 ? 29 
ATOM   900  C CA  . ILE   A 1 110 ? 26.835 -20.881 -25.488 1.000 51.110  0 109 ILE   BBB CA  1 ? 29 
ATOM   901  C C   . ILE   A 1 110 ? 27.522 -20.299 -26.728 1.000 46.351  0 109 ILE   BBB C   1 ? 29 
ATOM   902  O O   . ILE   A 1 110 ? 27.308 -19.130 -27.054 1.000 47.375  0 109 ILE   BBB O   1 ? 29 
ATOM   903  C CB  . ILE   A 1 110 ? 27.800 -21.085 -24.304 1.000 53.175  0 109 ILE   BBB CB  1 ? 29 
ATOM   904  C CG1 . ILE   A 1 110 ? 27.035 -21.452 -23.028 1.000 56.744  0 109 ILE   BBB CG1 1 ? 29 
ATOM   905  C CG2 . ILE   A 1 110 ? 28.657 -19.845 -24.089 1.000 54.932  0 109 ILE   BBB CG2 1 ? 29 
ATOM   906  C CD1 . ILE   A 1 110 ? 27.890 -22.040 -21.939 1.000 59.146  0 109 ILE   BBB CD1 1 ? 29 
ATOM   907  N N   . TRP   A 1 111 ? 28.313 -21.100 -27.419 1.000 46.413  0 110 TRP   BBB N   1 ? 29 
ATOM   908  C CA  . TRP   A 1 111 ? 29.084 -20.631 -28.602 1.000 45.667  0 110 TRP   BBB CA  1 ? 29 
ATOM   909  C C   . TRP   A 1 111 ? 28.150 -20.052 -29.676 1.000 45.681  0 110 TRP   BBB C   1 ? 29 
ATOM   910  O O   . TRP   A 1 111 ? 28.596 -19.156 -30.406 1.000 45.576  0 110 TRP   BBB O   1 ? 29 
ATOM   911  C CB  . TRP   A 1 111 ? 29.943 -21.766 -29.152 1.000 44.416  0 110 TRP   BBB CB  1 ? 29 
ATOM   912  C CG  . TRP   A 1 111 ? 31.179 -22.021 -28.347 1.000 46.592  0 110 TRP   BBB CG  1 ? 29 
ATOM   913  C CD1 . TRP   A 1 111 ? 31.949 -21.106 -27.686 1.000 48.022  0 110 TRP   BBB CD1 1 ? 29 
ATOM   914  C CD2 . TRP   A 1 111 ? 31.843 -23.284 -28.199 1.000 45.769  0 110 TRP   BBB CD2 1 ? 29 
ATOM   915  N NE1 . TRP   A 1 111 ? 33.027 -21.721 -27.115 1.000 49.986  0 110 TRP   BBB NE1 1 ? 29 
ATOM   916  C CE2 . TRP   A 1 111 ? 32.991 -23.054 -27.414 1.000 48.374  0 110 TRP   BBB CE2 1 ? 29 
ATOM   917  C CE3 . TRP   A 1 111 ? 31.589 -24.574 -28.674 1.000 45.548  0 110 TRP   BBB CE3 1 ? 29 
ATOM   918  C CZ2 . TRP   A 1 111 ? 33.873 -24.078 -27.080 1.000 50.679  0 110 TRP   BBB CZ2 1 ? 29 
ATOM   919  C CZ3 . TRP   A 1 111 ? 32.461 -25.591 -28.340 1.000 47.470  0 110 TRP   BBB CZ3 1 ? 29 
ATOM   920  C CH2 . TRP   A 1 111 ? 33.583 -25.344 -27.548 1.000 49.371  0 110 TRP   BBB CH2 1 ? 29 
ATOM   921  N N   . ALA   A 1 112 ? 26.905 -20.546 -29.759 1.000 46.876  0 111 ALA   BBB N   1 ? 29 
ATOM   922  C CA  . ALA   A 1 112 ? 25.875 -20.124 -30.741 1.000 47.275  0 111 ALA   BBB CA  1 ? 29 
ATOM   923  C C   . ALA   A 1 112 ? 25.603 -18.624 -30.628 1.000 48.085  0 111 ALA   BBB C   1 ? 29 
ATOM   924  O O   . ALA   A 1 112 ? 25.132 -18.051 -31.613 1.000 52.317  0 111 ALA   BBB O   1 ? 29 
ATOM   925  C CB  . ALA   A 1 112 ? 24.599 -20.919 -30.535 1.000 49.310  0 111 ALA   BBB CB  1 ? 29 
ATOM   926  N N   . ARG   A 1 113 ? 25.880 -18.019 -29.470 1.000 47.628  0 112 ARG   BBB N   1 ? 29 
ATOM   927  C CA  . ARG   A 1 113 ? 25.660 -16.578 -29.202 1.000 50.917  0 112 ARG   BBB CA  1 ? 29 
ATOM   928  C C   . ARG   A 1 113 ? 26.909 -15.769 -29.543 1.000 47.306  0 112 ARG   BBB C   1 ? 29 
ATOM   929  O O   . ARG   A 1 113 ? 26.854 -14.554 -29.375 1.000 48.516  0 112 ARG   BBB O   1 ? 29 
ATOM   930  C CB  . ARG   A 1 113 ? 25.291 -16.356 -27.735 1.000 56.578  0 112 ARG   BBB CB  1 ? 29 
ATOM   931  C CG  . ARG   A 1 113 ? 23.956 -16.978 -27.365 1.000 61.632  0 112 ARG   BBB CG  1 ? 29 
ATOM   932  C CD  . ARG   A 1 113 ? 23.467 -16.613 -25.992 1.000 68.302  0 112 ARG   BBB CD  1 ? 29 
ATOM   933  N NE  . ARG   A 1 113 ? 23.827 -17.613 -24.995 1.000 69.417  0 112 ARG   BBB NE  1 ? 29 
ATOM   934  C CZ  . ARG   A 1 113 ? 24.652 -17.401 -23.972 1.000 74.264  0 112 ARG   BBB CZ  1 ? 29 
ATOM   935  N NH1 . ARG   A 1 113 ? 25.231 -16.216 -23.802 1.000 76.007  0 112 ARG   BBB NH1 1 ? 29 
ATOM   936  N NH2 . ARG   A 1 113 ? 24.892 -18.383 -23.117 1.000 73.827  0 112 ARG   BBB NH2 1 ? 29 
ATOM   937  N N   . TYR   A 1 114 ? 28.012 -16.415 -29.924 1.000 45.653  0 113 TYR   BBB N   1 ? 29 
ATOM   938  C CA  . TYR   A 1 114 ? 29.317 -15.730 -30.176 1.000 45.374  0 113 TYR   BBB CA  1 ? 29 
ATOM   939  C C   . TYR   A 1 114 ? 29.842 -16.007 -31.584 1.000 42.863  0 113 TYR   BBB C   1 ? 29 
ATOM   940  O O   . TYR   A 1 114 ? 30.621 -15.209 -32.086 1.000 45.527  0 113 TYR   BBB O   1 ? 29 
ATOM   941  C CB  . TYR   A 1 114 ? 30.319 -16.125 -29.094 1.000 46.760  0 113 TYR   BBB CB  1 ? 29 
ATOM   942  C CG  . TYR   A 1 114 ? 29.903 -15.647 -27.731 1.000 48.965  0 113 TYR   BBB CG  1 ? 29 
ATOM   943  C CD1 . TYR   A 1 114 ? 30.236 -14.381 -27.299 1.000 52.718  0 113 TYR   BBB CD1 1 ? 29 
ATOM   944  C CD2 . TYR   A 1 114 ? 29.095 -16.415 -26.918 1.000 49.909  0 113 TYR   BBB CD2 1 ? 29 
ATOM   945  C CE1 . TYR   A 1 114 ? 29.841 -13.909 -26.060 1.000 56.579  0 113 TYR   BBB CE1 1 ? 29 
ATOM   946  C CE2 . TYR   A 1 114 ? 28.687 -15.955 -25.675 1.000 54.240  0 113 TYR   BBB CE2 1 ? 29 
ATOM   947  C CZ  . TYR   A 1 114 ? 29.058 -14.699 -25.252 1.000 56.548  0 113 TYR   BBB CZ  1 ? 29 
ATOM   948  O OH  . TYR   A 1 114 ? 28.674 -14.256 -24.027 1.000 64.440  0 113 TYR   BBB OH  1 ? 29 
ATOM   949  N N   . LEU   A 1 115 ? 29.422 -17.109 -32.199 1.000 42.487  0 114 LEU   BBB N   1 ? 29 
ATOM   950  C CA  . LEU   A 1 115 ? 29.863 -17.544 -33.545 1.000 41.124  0 114 LEU   BBB CA  1 ? 29 
ATOM   951  C C   . LEU   A 1 115 ? 28.743 -17.281 -34.556 1.000 40.881  0 114 LEU   BBB C   1 ? 29 
ATOM   952  O O   . LEU   A 1 115 ? 27.564 -17.323 -34.174 1.000 41.073  0 114 LEU   BBB O   1 ? 29 
ATOM   953  C CB  . LEU   A 1 115 ? 30.192 -19.037 -33.491 1.000 40.307  0 114 LEU   BBB CB  1 ? 29 
ATOM   954  C CG  . LEU   A 1 115 ? 31.282 -19.446 -32.502 1.000 41.751  0 114 LEU   BBB CG  1 ? 29 
ATOM   955  C CD1 . LEU   A 1 115 ? 31.513 -20.948 -32.593 1.000 42.520  0 114 LEU   BBB CD1 1 ? 29 
ATOM   956  C CD2 . LEU   A 1 115 ? 32.587 -18.693 -32.732 1.000 43.108  0 114 LEU   BBB CD2 1 ? 29 
ATOM   957  N N   . ASN   A 1 116 ? 29.104 -17.055 -35.819 1.000 40.214  0 115 ASN   BBB N   1 ? 29 
ATOM   958  C CA  . ASN   A 1 116 ? 28.129 -17.033 -36.940 1.000 41.293  0 115 ASN   BBB CA  1 ? 29 
ATOM   959  C C   . ASN   A 1 116 ? 27.736 -18.479 -37.237 1.000 41.908  0 115 ASN   BBB C   1 ? 29 
ATOM   960  O O   . ASN   A 1 116 ? 28.375 -19.400 -36.700 1.000 44.183  0 115 ASN   BBB O   1 ? 29 
ATOM   961  C CB  . ASN   A 1 116 ? 28.647 -16.269 -38.161 1.000 40.372  0 115 ASN   BBB CB  1 ? 29 
ATOM   962  C CG  . ASN   A 1 116 ? 29.849 -16.904 -38.819 1.000 39.389  0 115 ASN   BBB CG  1 ? 29 
ATOM   963  O OD1 . ASN   A 1 116 ? 29.984 -18.126 -38.880 1.000 39.881  0 115 ASN   BBB OD1 1 ? 29 
ATOM   964  N ND2 . ASN   A 1 116 ? 30.720 -16.065 -39.329 1.000 40.798  0 115 ASN   BBB ND2 1 ? 29 
ATOM   965  N N   . ALA   A 1 117 ? 26.672 -18.667 -38.011 1.000 43.708  0 116 ALA   BBB N   1 ? 29 
ATOM   966  C CA  . ALA   A 1 117 ? 26.084 -19.991 -38.317 1.000 43.131  0 116 ALA   BBB CA  1 ? 29 
ATOM   967  C C   . ALA   A 1 117 ? 27.148 -20.912 -38.934 1.000 41.709  0 116 ALA   BBB C   1 ? 29 
ATOM   968  O O   . ALA   A 1 117 ? 27.161 -22.106 -38.595 1.000 42.754  0 116 ALA   BBB O   1 ? 29 
ATOM   969  C CB  . ALA   A 1 117 ? 24.897 -19.815 -39.233 1.000 45.515  0 116 ALA   BBB CB  1 ? 29 
ATOM   970  N N   . GLU   A 1 118 ? 27.992 -20.392 -39.826 1.000 40.383  0 117 GLU   BBB N   1 ? 29 
ATOM   971  C CA  . GLU   A 1 118 ? 29.021 -21.201 -40.516 1.000 42.781  0 117 GLU   BBB CA  1 ? 29 
ATOM   972  C C   . GLU   A 1 118 ? 30.055 -21.711 -39.497 1.000 43.376  0 117 GLU   BBB C   1 ? 29 
ATOM   973  O O   . GLU   A 1 118 ? 30.363 -22.918 -39.512 1.000 45.559  0 117 GLU   BBB O   1 ? 29 
ATOM   974  C CB  . GLU   A 1 118 ? 29.690 -20.379 -41.611 1.000 44.716  0 117 GLU   BBB CB  1 ? 29 
ATOM   975  C CG  . GLU   A 1 118 ? 30.538 -21.237 -42.523 1.000 47.995  0 117 GLU   BBB CG  1 ? 29 
ATOM   976  C CD  . GLU   A 1 118 ? 31.195 -20.452 -43.638 1.000 50.102  0 117 GLU   BBB CD  1 ? 29 
ATOM   977  O OE1 . GLU   A 1 118 ? 30.539 -20.247 -44.673 1.000 51.472  0 117 GLU   BBB OE1 1 ? 29 
ATOM   978  O OE2 . GLU   A 1 118 ? 32.334 -20.005 -43.434 1.000 53.394  0 117 GLU   BBB OE2 1 ? 29 
ATOM   979  N N   . GLU   A 1 119 ? 30.566 -20.832 -38.636 1.000 42.216  0 118 GLU   BBB N   1 ? 29 
ATOM   980  C CA  . GLU   A 1 119 ? 31.584 -21.179 -37.602 1.000 43.531  0 118 GLU   BBB CA  1 ? 29 
ATOM   981  C C   . GLU   A 1 119 ? 30.994 -22.225 -36.646 1.000 43.352  0 118 GLU   BBB C   1 ? 29 
ATOM   982  O O   . GLU   A 1 119 ? 31.704 -23.182 -36.317 1.000 43.884  0 118 GLU   BBB O   1 ? 29 
ATOM   983  C CB  . GLU   A 1 119 ? 32.031 -19.932 -36.838 1.000 44.999  0 118 GLU   BBB CB  1 ? 29 
ATOM   984  C CG  . GLU   A 1 119 ? 32.846 -18.951 -37.665 1.000 45.214  0 118 GLU   BBB CG  1 ? 29 
ATOM   985  C CD  . GLU   A 1 119 ? 32.971 -17.567 -37.036 1.000 46.431  0 118 GLU   BBB CD  1 ? 29 
ATOM   986  O OE1 . GLU   A 1 119 ? 32.012 -17.128 -36.367 1.000 46.026  0 118 GLU   BBB OE1 1 ? 29 
ATOM   987  O OE2 . GLU   A 1 119 ? 34.033 -16.942 -37.188 1.000 46.205  0 118 GLU   BBB OE2 1 ? 29 
ATOM   988  N N   . LEU   A 1 120 ? 29.732 -22.060 -36.237 1.000 41.909  0 119 LEU   BBB N   1 ? 29 
ATOM   989  C CA  . LEU   A 1 120 ? 29.082 -22.995 -35.285 1.000 41.830  0 119 LEU   BBB CA  1 ? 29 
ATOM   990  C C   . LEU   A 1 120 ? 28.907 -24.362 -35.949 1.000 44.277  0 119 LEU   BBB C   1 ? 29 
ATOM   991  O O   . LEU   A 1 120 ? 29.101 -25.362 -35.261 1.000 44.968  0 119 LEU   BBB O   1 ? 29 
ATOM   992  C CB  . LEU   A 1 120 ? 27.737 -22.442 -34.816 1.000 41.195  0 119 LEU   BBB CB  1 ? 29 
ATOM   993  C CG  . LEU   A 1 120 ? 27.055 -23.271 -33.725 1.000 41.919  0 119 LEU   BBB CG  1 ? 29 
ATOM   994  C CD1 . LEU   A 1 120 ? 27.780 -23.103 -32.399 1.000 41.679  0 119 LEU   BBB CD1 1 ? 29 
ATOM   995  C CD2 . LEU   A 1 120 ? 25.577 -22.924 -33.596 1.000 43.139  0 119 LEU   BBB CD2 1 ? 29 
ATOM   996  N N   . ALA   A 1 121 ? 28.523 -24.399 -37.230 1.000 46.160  0 120 ALA   BBB N   1 ? 29 
ATOM   997  C CA  . ALA   A 1 121 ? 28.301 -25.654 -37.982 1.000 47.011  0 120 ALA   BBB CA  1 ? 29 
ATOM   998  C C   . ALA   A 1 121 ? 29.632 -26.410 -38.072 1.000 47.487  0 120 ALA   BBB C   1 ? 29 
ATOM   999  O O   . ALA   A 1 121 ? 29.632 -27.648 -37.911 1.000 47.950  0 120 ALA   BBB O   1 ? 29 
ATOM   1000 C CB  . ALA   A 1 121 ? 27.730 -25.366 -39.360 1.000 48.784  0 120 ALA   BBB CB  1 ? 29 
ATOM   1001 N N   . PHE   A 1 122 ? 30.726 -25.695 -38.339 1.000 43.373  0 121 PHE   BBB N   1 ? 30 
ATOM   1002 C CA  . PHE   A 1 122 ? 32.086 -26.282 -38.417 1.000 43.975  0 121 PHE   BBB CA  1 ? 30 
ATOM   1003 C C   . PHE   A 1 122 ? 32.432 -26.911 -37.060 1.000 44.163  0 121 PHE   BBB C   1 ? 30 
ATOM   1004 O O   . PHE   A 1 122 ? 32.836 -28.106 -37.017 1.000 44.133  0 121 PHE   BBB O   1 ? 30 
ATOM   1005 C CB  . PHE   A 1 122 ? 33.126 -25.241 -38.823 1.000 45.386  0 121 PHE   BBB CB  1 ? 30 
ATOM   1006 C CG  . PHE   A 1 122 ? 34.483 -25.848 -39.077 1.000 47.805  0 121 PHE   BBB CG  1 ? 30 
ATOM   1007 C CD1 . PHE   A 1 122 ? 35.367 -26.054 -38.030 1.000 46.724  0 121 PHE   BBB CD1 1 ? 30 
ATOM   1008 C CD2 . PHE   A 1 122 ? 34.858 -26.254 -40.351 1.000 50.152  0 121 PHE   BBB CD2 1 ? 30 
ATOM   1009 C CE1 . PHE   A 1 122 ? 36.611 -26.617 -38.255 1.000 49.773  0 121 PHE   BBB CE1 1 ? 30 
ATOM   1010 C CE2 . PHE   A 1 122 ? 36.107 -26.815 -40.574 1.000 52.670  0 121 PHE   BBB CE2 1 ? 30 
ATOM   1011 C CZ  . PHE   A 1 122 ? 36.980 -26.997 -39.525 1.000 52.518  0 121 PHE   BBB CZ  1 ? 30 
ATOM   1012 N N   . THR   A 1 123 ? 32.237 -26.155 -35.981 1.000 42.474  0 122 THR   BBB N   1 ? 30 
ATOM   1013 C CA  . THR   A 1 123 ? 32.600 -26.593 -34.616 1.000 42.833  0 122 THR   BBB CA  1 ? 30 
ATOM   1014 C C   . THR   A 1 123 ? 31.737 -27.793 -34.214 1.000 44.174  0 122 THR   BBB C   1 ? 30 
ATOM   1015 O O   . THR   A 1 123 ? 32.287 -28.743 -33.639 1.000 43.121  0 122 THR   BBB O   1 ? 30 
ATOM   1016 C CB  . THR   A 1 123 ? 32.544 -25.439 -33.616 1.000 41.555  0 122 THR   BBB CB  1 ? 30 
ATOM   1017 O OG1 . THR   A 1 123 ? 33.549 -24.524 -34.046 1.000 42.348  0 122 THR   BBB OG1 1 ? 30 
ATOM   1018 C CG2 . THR   A 1 123 ? 32.790 -25.877 -32.187 1.000 40.654  0 122 THR   BBB CG2 1 ? 30 
ATOM   1019 N N   A ARG   A 1 124 ? 30.437 -27.766 -34.514 0.500 46.213  0 123 ARG   BBB N   1 ? 30 
ATOM   1020 N N   B ARG   A 1 124 ? 30.437 -27.765 -34.513 0.500 44.024  0 123 ARG   BBB N   1 ? 30 
ATOM   1021 C CA  A ARG   A 1 124 ? 29.534 -28.910 -34.229 0.500 48.432  0 123 ARG   BBB CA  1 ? 30 
ATOM   1022 C CA  B ARG   A 1 124 ? 29.533 -28.909 -34.230 0.500 44.755  0 123 ARG   BBB CA  1 ? 30 
ATOM   1023 C C   A ARG   A 1 124 ? 30.067 -30.159 -34.949 0.500 48.945  0 123 ARG   BBB C   1 ? 30 
ATOM   1024 C C   B ARG   A 1 124 ? 30.067 -30.158 -34.946 0.500 45.846  0 123 ARG   BBB C   1 ? 30 
ATOM   1025 O O   A ARG   A 1 124 ? 30.071 -31.233 -34.338 0.500 51.111  0 123 ARG   BBB O   1 ? 30 
ATOM   1026 O O   B ARG   A 1 124 ? 30.071 -31.232 -34.336 0.500 47.951  0 123 ARG   BBB O   1 ? 30 
ATOM   1027 C CB  A ARG   A 1 124 ? 28.097 -28.606 -34.657 0.500 51.520  0 123 ARG   BBB CB  1 ? 30 
ATOM   1028 C CB  B ARG   A 1 124 ? 28.097 -28.618 -34.666 0.500 45.806  0 123 ARG   BBB CB  1 ? 30 
ATOM   1029 C CG  A ARG   A 1 124 ? 27.187 -29.825 -34.613 0.500 54.857  0 123 ARG   BBB CG  1 ? 30 
ATOM   1030 C CG  B ARG   A 1 124 ? 27.185 -29.834 -34.562 0.500 47.127  0 123 ARG   BBB CG  1 ? 30 
ATOM   1031 C CD  A ARG   A 1 124 ? 25.716 -29.474 -34.747 0.500 58.770  0 123 ARG   BBB CD  1 ? 30 
ATOM   1032 C CD  B ARG   A 1 124 ? 25.739 -29.548 -34.932 0.500 49.007  0 123 ARG   BBB CD  1 ? 30 
ATOM   1033 N NE  A ARG   A 1 124 ? 25.054 -29.353 -33.453 0.500 61.856  0 123 ARG   BBB NE  1 ? 30 
ATOM   1034 N NE  B ARG   A 1 124 ? 25.048 -28.810 -33.883 0.500 50.096  0 123 ARG   BBB NE  1 ? 30 
ATOM   1035 C CZ  A ARG   A 1 124 ? 24.749 -28.202 -32.863 0.500 63.212  0 123 ARG   BBB CZ  1 ? 30 
ATOM   1036 C CZ  B ARG   A 1 124 ? 24.682 -29.324 -32.711 0.500 49.376  0 123 ARG   BBB CZ  1 ? 30 
ATOM   1037 N NH1 A ARG   A 1 124 ? 25.016 -27.047 -33.455 0.500 63.332  0 123 ARG   BBB NH1 1 ? 30 
ATOM   1038 N NH1 B ARG   A 1 124 ? 24.061 -28.569 -31.824 0.500 50.777  0 123 ARG   BBB NH1 1 ? 30 
ATOM   1039 N NH2 A ARG   A 1 124 ? 24.130 -28.214 -31.702 0.500 64.331  0 123 ARG   BBB NH2 1 ? 30 
ATOM   1040 N NH2 B ARG   A 1 124 ? 24.941 -30.587 -32.435 0.500 48.626  0 123 ARG   BBB NH2 1 ? 30 
ATOM   1041 N N   A GLN   A 1 125 ? 30.503 -30.017 -36.201 0.500 49.035  0 124 GLN   BBB N   1 ? 30 
ATOM   1042 N N   B GLN   A 1 125 ? 30.504 -30.017 -36.198 0.500 46.639  0 124 GLN   BBB N   1 ? 30 
ATOM   1043 C CA  A GLN   A 1 125 ? 30.942 -31.144 -37.063 0.500 50.565  0 124 GLN   BBB CA  1 ? 30 
ATOM   1044 C CA  B GLN   A 1 125 ? 30.937 -31.152 -37.052 0.500 48.695  0 124 GLN   BBB CA  1 ? 30 
ATOM   1045 C C   A GLN   A 1 125 ? 32.258 -31.726 -36.527 0.500 50.622  0 124 GLN   BBB C   1 ? 30 
ATOM   1046 C C   B GLN   A 1 125 ? 32.259 -31.727 -36.525 0.500 49.520  0 124 GLN   BBB C   1 ? 30 
ATOM   1047 O O   A GLN   A 1 125 ? 32.397 -32.960 -36.535 0.500 54.378  0 124 GLN   BBB O   1 ? 30 
ATOM   1048 O O   B GLN   A 1 125 ? 32.401 -32.962 -36.537 0.500 53.293  0 124 GLN   BBB O   1 ? 30 
ATOM   1049 C CB  A GLN   A 1 125 ? 31.070 -30.661 -38.511 0.500 52.699  0 124 GLN   BBB CB  1 ? 30 
ATOM   1050 C CB  B GLN   A 1 125 ? 31.049 -30.687 -38.505 0.500 50.588  0 124 GLN   BBB CB  1 ? 30 
ATOM   1051 C CG  A GLN   A 1 125 ? 31.698 -31.671 -39.464 0.500 55.519  0 124 GLN   BBB CG  1 ? 30 
ATOM   1052 C CG  B GLN   A 1 125 ? 31.716 -31.684 -39.448 0.500 53.156  0 124 GLN   BBB CG  1 ? 30 
ATOM   1053 C CD  A GLN   A 1 125 ? 31.523 -31.287 -40.917 0.500 57.593  0 124 GLN   BBB CD  1 ? 30 
ATOM   1054 C CD  B GLN   A 1 125 ? 31.041 -33.028 -39.590 0.500 55.088  0 124 GLN   BBB CD  1 ? 30 
ATOM   1055 O OE1 A GLN   A 1 125 ? 32.082 -31.907 -41.822 0.500 60.015  0 124 GLN   BBB OE1 1 ? 30 
ATOM   1056 O OE1 B GLN   A 1 125 ? 31.674 -34.012 -39.969 0.500 56.731  0 124 GLN   BBB OE1 1 ? 30 
ATOM   1057 N NE2 A GLN   A 1 125 ? 30.731 -30.258 -41.157 0.500 57.296  0 124 GLN   BBB NE2 1 ? 30 
ATOM   1058 N NE2 B GLN   A 1 125 ? 29.746 -33.077 -39.319 0.500 54.802  0 124 GLN   BBB NE2 1 ? 30 
ATOM   1059 N N   . HIS   A 1 126 ? 33.190 -30.878 -36.079 1.000 48.462  0 125 HIS   BBB N   1 ? 30 
ATOM   1060 C CA  . HIS   A 1 126 ? 34.610 -31.263 -35.835 1.000 48.917  0 125 HIS   BBB CA  1 ? 30 
ATOM   1061 C C   . HIS   A 1 126 ? 34.927 -31.358 -34.338 1.000 47.219  0 125 HIS   BBB C   1 ? 30 
ATOM   1062 O O   . HIS   A 1 126 ? 36.064 -31.710 -33.997 1.000 48.950  0 125 HIS   BBB O   1 ? 30 
ATOM   1063 C CB  . HIS   A 1 126 ? 35.529 -30.303 -36.595 1.000 49.107  0 125 HIS   BBB CB  1 ? 30 
ATOM   1064 C CG  . HIS   A 1 126 ? 35.407 -30.447 -38.077 1.000 51.943  0 125 HIS   BBB CG  1 ? 30 
ATOM   1065 N ND1 . HIS   A 1 126 ? 35.880 -31.552 -38.744 1.000 53.586  0 125 HIS   BBB ND1 1 ? 30 
ATOM   1066 C CD2 . HIS   A 1 126 ? 34.891 -29.621 -39.017 1.000 51.699  0 125 HIS   BBB CD2 1 ? 30 
ATOM   1067 C CE1 . HIS   A 1 126 ? 35.646 -31.411 -40.034 1.000 56.048  0 125 HIS   BBB CE1 1 ? 30 
ATOM   1068 N NE2 . HIS   A 1 126 ? 35.047 -30.228 -40.228 1.000 53.715  0 125 HIS   BBB NE2 1 ? 30 
ATOM   1069 N N   . TYR   A 1 127 ? 33.949 -31.112 -33.475 1.000 48.862  0 126 TYR   BBB N   1 ? 31 
ATOM   1070 C CA  . TYR   A 1 127 ? 34.110 -31.095 -31.992 1.000 50.712  0 126 TYR   BBB CA  1 ? 31 
ATOM   1071 C C   . TYR   A 1 127 ? 34.792 -32.386 -31.508 1.000 51.494  0 126 TYR   BBB C   1 ? 31 
ATOM   1072 O O   . TYR   A 1 127 ? 35.679 -32.295 -30.653 1.000 51.978  0 126 TYR   BBB O   1 ? 31 
ATOM   1073 C CB  . TYR   A 1 127 ? 32.739 -30.901 -31.351 1.000 52.963  0 126 TYR   BBB CB  1 ? 31 
ATOM   1074 C CG  . TYR   A 1 127 ? 32.699 -30.893 -29.853 1.000 56.234  0 126 TYR   BBB CG  1 ? 31 
ATOM   1075 C CD1 . TYR   A 1 127 ? 32.714 -32.072 -29.130 1.000 60.471  0 126 TYR   BBB CD1 1 ? 31 
ATOM   1076 C CD2 . TYR   A 1 127 ? 32.559 -29.710 -29.156 1.000 57.376  0 126 TYR   BBB CD2 1 ? 31 
ATOM   1077 C CE1 . TYR   A 1 127 ? 32.619 -32.073 -27.744 1.000 62.594  0 126 TYR   BBB CE1 1 ? 31 
ATOM   1078 C CE2 . TYR   A 1 127 ? 32.461 -29.693 -27.773 1.000 61.900  0 126 TYR   BBB CE2 1 ? 31 
ATOM   1079 C CZ  . TYR   A 1 127 ? 32.500 -30.877 -27.062 1.000 62.859  0 126 TYR   BBB CZ  1 ? 31 
ATOM   1080 O OH  . TYR   A 1 127 ? 32.399 -30.866 -25.701 1.000 68.278  0 126 TYR   BBB OH  1 ? 31 
ATOM   1081 N N   . PHE   A 1 128 ? 34.387 -33.548 -32.029 1.000 52.831  0 127 PHE   BBB N   1 ? 31 
ATOM   1082 C CA  . PHE   A 1 128 ? 34.793 -34.887 -31.529 1.000 56.543  0 127 PHE   BBB CA  1 ? 31 
ATOM   1083 C C   . PHE   A 1 128 ? 36.090 -35.373 -32.189 1.000 55.510  0 127 PHE   BBB C   1 ? 31 
ATOM   1084 O O   . PHE   A 1 128 ? 36.642 -36.348 -31.687 1.000 59.236  0 127 PHE   BBB O   1 ? 31 
ATOM   1085 C CB  . PHE   A 1 128 ? 33.651 -35.889 -31.734 1.000 59.383  0 127 PHE   BBB CB  1 ? 31 
ATOM   1086 C CG  . PHE   A 1 128 ? 32.405 -35.522 -30.967 1.000 62.897  0 127 PHE   BBB CG  1 ? 31 
ATOM   1087 C CD1 . PHE   A 1 128 ? 32.295 -35.812 -29.615 1.000 65.353  0 127 PHE   BBB CD1 1 ? 31 
ATOM   1088 C CD2 . PHE   A 1 128 ? 31.367 -34.828 -31.574 1.000 62.391  0 127 PHE   BBB CD2 1 ? 31 
ATOM   1089 C CE1 . PHE   A 1 128 ? 31.158 -35.457 -28.903 1.000 68.090  0 127 PHE   BBB CE1 1 ? 31 
ATOM   1090 C CE2 . PHE   A 1 128 ? 30.234 -34.466 -30.858 1.000 65.601  0 127 PHE   BBB CE2 1 ? 31 
ATOM   1091 C CZ  . PHE   A 1 128 ? 30.133 -34.773 -29.519 1.000 68.166  0 127 PHE   BBB CZ  1 ? 31 
ATOM   1092 N N   . ASP   A 1 129 ? 36.561 -34.715 -33.250 1.000 53.934  0 128 ASP   BBB N   1 ? 31 
ATOM   1093 C CA  . ASP   A 1 129 ? 37.651 -35.211 -34.134 1.000 55.934  0 128 ASP   BBB CA  1 ? 31 
ATOM   1094 C C   . ASP   A 1 129 ? 38.862 -35.646 -33.296 1.000 56.798  0 128 ASP   BBB C   1 ? 31 
ATOM   1095 O O   . ASP   A 1 129 ? 39.322 -36.787 -33.476 1.000 60.830  0 128 ASP   BBB O   1 ? 31 
ATOM   1096 C CB  . ASP   A 1 129 ? 38.060 -34.148 -35.154 1.000 56.250  0 128 ASP   BBB CB  1 ? 31 
ATOM   1097 C CG  . ASP   A 1 129 ? 37.081 -33.963 -36.300 1.000 55.811  0 128 ASP   BBB CG  1 ? 31 
ATOM   1098 O OD1 . ASP   A 1 129 ? 35.980 -34.552 -36.245 1.000 60.517  0 128 ASP   BBB OD1 1 ? 31 
ATOM   1099 O OD2 . ASP   A 1 129 ? 37.420 -33.211 -37.231 1.000 56.157  0 128 ASP   BBB OD2 1 ? 31 
ATOM   1100 N N   . ARG   A 1 130 ? 39.351 -34.770 -32.417 1.000 54.464  0 129 ARG   BBB N   1 ? 31 
ATOM   1101 C CA  . ARG   A 1 130 ? 40.562 -34.990 -31.585 1.000 54.939  0 129 ARG   BBB CA  1 ? 31 
ATOM   1102 C C   . ARG   A 1 130 ? 40.226 -34.820 -30.099 1.000 55.082  0 129 ARG   BBB C   1 ? 31 
ATOM   1103 O O   . ARG   A 1 130 ? 41.147 -34.545 -29.313 1.000 56.763  0 129 ARG   BBB O   1 ? 31 
ATOM   1104 C CB  . ARG   A 1 130 ? 41.658 -34.031 -32.049 1.000 53.751  0 129 ARG   BBB CB  1 ? 31 
ATOM   1105 C CG  . ARG   A 1 130 ? 42.003 -34.191 -33.521 1.000 55.731  0 129 ARG   BBB CG  1 ? 31 
ATOM   1106 C CD  . ARG   A 1 130 ? 43.257 -33.448 -33.920 1.000 57.762  0 129 ARG   BBB CD  1 ? 31 
ATOM   1107 N NE  . ARG   A 1 130 ? 44.433 -33.931 -33.211 1.000 59.948  0 129 ARG   BBB NE  1 ? 31 
ATOM   1108 C CZ  . ARG   A 1 130 ? 45.614 -33.324 -33.220 1.000 63.299  0 129 ARG   BBB CZ  1 ? 31 
ATOM   1109 N NH1 . ARG   A 1 130 ? 45.781 -32.219 -33.929 1.000 63.530  0 129 ARG   BBB NH1 1 ? 31 
ATOM   1110 N NH2 . ARG   A 1 130 ? 46.625 -33.826 -32.529 1.000 65.027  0 129 ARG   BBB NH2 1 ? 31 
ATOM   1111 N N   . LEU   A 1 131 ? 38.967 -35.033 -29.719 1.000 57.254  0 130 LEU   BBB N   1 ? 31 
ATOM   1112 C CA  . LEU   A 1 131 ? 38.467 -34.862 -28.328 1.000 58.846  0 130 LEU   BBB CA  1 ? 31 
ATOM   1113 C C   . LEU   A 1 131 ? 39.327 -35.664 -27.343 1.000 62.166  0 130 LEU   BBB C   1 ? 31 
ATOM   1114 O O   . LEU   A 1 131 ? 39.549 -35.173 -26.231 1.000 62.289  0 130 LEU   BBB O   1 ? 31 
ATOM   1115 C CB  . LEU   A 1 131 ? 37.003 -35.317 -28.247 1.000 61.774  0 130 LEU   BBB CB  1 ? 31 
ATOM   1116 C CG  . LEU   A 1 131 ? 36.309 -35.040 -26.913 1.000 63.103  0 130 LEU   BBB CG  1 ? 31 
ATOM   1117 C CD1 . LEU   A 1 131 ? 36.299 -33.557 -26.615 1.000 61.317  0 130 LEU   BBB CD1 1 ? 31 
ATOM   1118 C CD2 . LEU   A 1 131 ? 34.900 -35.587 -26.889 1.000 67.028  0 130 LEU   BBB CD2 1 ? 31 
ATOM   1119 N N   . MET   A 1 132 ? 39.781 -36.859 -27.731 1.000 67.817  0 131 MET   BBB N   1 ? 31 
ATOM   1120 C CA  . MET   A 1 132 ? 40.433 -37.828 -26.806 1.000 72.222  0 131 MET   BBB CA  1 ? 31 
ATOM   1121 C C   . MET   A 1 132 ? 41.825 -37.342 -26.388 1.000 67.715  0 131 MET   BBB C   1 ? 31 
ATOM   1122 O O   . MET   A 1 132 ? 42.311 -37.843 -25.366 1.000 68.895  0 131 MET   BBB O   1 ? 31 
ATOM   1123 C CB  . MET   A 1 132 ? 40.558 -39.210 -27.448 1.000 79.513  0 131 MET   BBB CB  1 ? 31 
ATOM   1124 C CG  . MET   A 1 132 ? 39.238 -39.935 -27.580 1.000 87.078  0 131 MET   BBB CG  1 ? 31 
ATOM   1125 S SD  . MET   A 1 132 ? 38.416 -40.190 -25.988 1.000 96.943  0 131 MET   BBB SD  1 ? 31 
ATOM   1126 C CE  . MET   A 1 132 ? 37.756 -41.845 -26.211 1.000 101.903 0 131 MET   BBB CE  1 ? 31 
ATOM   1127 N N   . GLU   A 1 133 ? 42.432 -36.411 -27.129 1.000 63.857  0 132 GLU   BBB N   1 ? 31 
ATOM   1128 C CA  . GLU   A 1 133 ? 43.811 -35.921 -26.858 1.000 64.227  0 132 GLU   BBB CA  1 ? 31 
ATOM   1129 C C   . GLU   A 1 133 ? 43.822 -34.788 -25.816 1.000 61.790  0 132 GLU   BBB C   1 ? 31 
ATOM   1130 O O   . GLU   A 1 133 ? 44.930 -34.385 -25.414 1.000 61.260  0 132 GLU   BBB O   1 ? 31 
ATOM   1131 C CB  . GLU   A 1 133 ? 44.466 -35.432 -28.149 1.000 64.471  0 132 GLU   BBB CB  1 ? 31 
ATOM   1132 C CG  . GLU   A 1 133 ? 44.615 -36.505 -29.204 1.000 67.753  0 132 GLU   BBB CG  1 ? 31 
ATOM   1133 C CD  . GLU   A 1 133 ? 45.333 -36.016 -30.447 1.000 70.831  0 132 GLU   BBB CD  1 ? 31 
ATOM   1134 O OE1 . GLU   A 1 133 ? 46.435 -35.469 -30.299 1.000 73.409  0 132 GLU   BBB OE1 1 ? 31 
ATOM   1135 O OE2 . GLU   A 1 133 ? 44.779 -36.145 -31.554 1.000 72.599  0 132 GLU   BBB OE2 1 ? 31 
ATOM   1136 N N   . TRP   A 1 134 ? 42.662 -34.279 -25.398 1.000 60.331  0 133 TRP   BBB N   1 ? 31 
ATOM   1137 C CA  . TRP   A 1 134 ? 42.574 -33.077 -24.522 1.000 59.398  0 133 TRP   BBB CA  1 ? 31 
ATOM   1138 C C   . TRP   A 1 134 ? 43.049 -33.396 -23.107 1.000 59.668  0 133 TRP   BBB C   1 ? 31 
ATOM   1139 O O   . TRP   A 1 134 ? 43.790 -32.604 -22.532 1.000 60.746  0 133 TRP   BBB O   1 ? 31 
ATOM   1140 C CB  . TRP   A 1 134 ? 41.160 -32.467 -24.530 1.000 57.642  0 133 TRP   BBB CB  1 ? 31 
ATOM   1141 C CG  . TRP   A 1 134 ? 40.948 -31.526 -25.674 1.000 53.866  0 133 TRP   BBB CG  1 ? 31 
ATOM   1142 C CD1 . TRP   A 1 134 ? 40.309 -31.792 -26.848 1.000 54.100  0 133 TRP   BBB CD1 1 ? 31 
ATOM   1143 C CD2 . TRP   A 1 134 ? 41.426 -30.176 -25.782 1.000 52.614  0 133 TRP   BBB CD2 1 ? 31 
ATOM   1144 N NE1 . TRP   A 1 134 ? 40.331 -30.700 -27.666 1.000 53.842  0 133 TRP   BBB NE1 1 ? 31 
ATOM   1145 C CE2 . TRP   A 1 134 ? 41.001 -29.690 -27.032 1.000 52.431  0 133 TRP   BBB CE2 1 ? 31 
ATOM   1146 C CE3 . TRP   A 1 134 ? 42.146 -29.325 -24.942 1.000 54.739  0 133 TRP   BBB CE3 1 ? 31 
ATOM   1147 C CZ2 . TRP   A 1 134 ? 41.291 -28.403 -27.466 1.000 52.597  0 133 TRP   BBB CZ2 1 ? 31 
ATOM   1148 C CZ3 . TRP   A 1 134 ? 42.427 -28.047 -25.369 1.000 55.277  0 133 TRP   BBB CZ3 1 ? 31 
ATOM   1149 C CH2 . TRP   A 1 134 ? 42.004 -27.596 -26.618 1.000 53.684  0 133 TRP   BBB CH2 1 ? 31 
ATOM   1150 N N   . PRO   A 1 135 ? 42.630 -34.523 -22.483 1.000 60.469  0 134 PRO   BBB N   1 ? 31 
ATOM   1151 C CA  . PRO   A 1 135 ? 43.038 -34.816 -21.105 1.000 61.574  0 134 PRO   BBB CA  1 ? 31 
ATOM   1152 C C   . PRO   A 1 135 ? 44.567 -34.799 -20.912 1.000 63.049  0 134 PRO   BBB C   1 ? 31 
ATOM   1153 O O   . PRO   A 1 135 ? 45.030 -34.183 -19.966 1.000 63.026  0 134 PRO   BBB O   1 ? 31 
ATOM   1154 C CB  . PRO   A 1 135 ? 42.432 -36.202 -20.862 1.000 64.685  0 134 PRO   BBB CB  1 ? 31 
ATOM   1155 C CG  . PRO   A 1 135 ? 41.227 -36.252 -21.780 1.000 63.205  0 134 PRO   BBB CG  1 ? 31 
ATOM   1156 C CD  . PRO   A 1 135 ? 41.682 -35.517 -23.018 1.000 60.343  0 134 PRO   BBB CD  1 ? 31 
ATOM   1157 N N   . ALA   A 1 136 ? 45.319 -35.450 -21.808 1.000 64.133  0 135 ALA   BBB N   1 ? 31 
ATOM   1158 C CA  . ALA   A 1 136 ? 46.800 -35.509 -21.775 1.000 65.475  0 135 ALA   BBB CA  1 ? 31 
ATOM   1159 C C   . ALA   A 1 136 ? 47.360 -34.087 -21.847 1.000 62.579  0 135 ALA   BBB C   1 ? 31 
ATOM   1160 O O   . ALA   A 1 136 ? 48.288 -33.782 -21.083 1.000 64.013  0 135 ALA   BBB O   1 ? 31 
ATOM   1161 C CB  . ALA   A 1 136 ? 47.338 -36.377 -22.894 1.000 66.697  0 135 ALA   BBB CB  1 ? 31 
ATOM   1162 N N   . LEU   A 1 137 ? 46.814 -33.238 -22.718 1.000 62.545  0 136 LEU   BBB N   1 ? 31 
ATOM   1163 C CA  . LEU   A 1 137 ? 47.287 -31.833 -22.871 1.000 60.996  0 136 LEU   BBB CA  1 ? 31 
ATOM   1164 C C   . LEU   A 1 137 ? 46.957 -31.061 -21.595 1.000 59.792  0 136 LEU   BBB C   1 ? 31 
ATOM   1165 O O   . LEU   A 1 137 ? 47.848 -30.372 -21.090 1.000 62.419  0 136 LEU   BBB O   1 ? 31 
ATOM   1166 C CB  . LEU   A 1 137 ? 46.658 -31.150 -24.090 1.000 60.536  0 136 LEU   BBB CB  1 ? 31 
ATOM   1167 C CG  . LEU   A 1 137 ? 46.987 -29.661 -24.214 1.000 61.196  0 136 LEU   BBB CG  1 ? 31 
ATOM   1168 C CD1 . LEU   A 1 137 ? 48.488 -29.440 -24.302 1.000 64.071  0 136 LEU   BBB CD1 1 ? 31 
ATOM   1169 C CD2 . LEU   A 1 137 ? 46.286 -29.028 -25.409 1.000 61.788  0 136 LEU   BBB CD2 1 ? 31 
ATOM   1170 N N   . VAL   A 1 138 ? 45.726 -31.169 -21.099 1.000 58.429  0 137 VAL   BBB N   1 ? 31 
ATOM   1171 C CA  . VAL   A 1 138 ? 45.280 -30.437 -19.877 1.000 60.186  0 137 VAL   BBB CA  1 ? 31 
ATOM   1172 C C   . VAL   A 1 138 ? 46.158 -30.879 -18.700 1.000 62.140  0 137 VAL   BBB C   1 ? 31 
ATOM   1173 O O   . VAL   A 1 138 ? 46.553 -30.012 -17.905 1.000 64.079  0 137 VAL   BBB O   1 ? 31 
ATOM   1174 C CB  . VAL   A 1 138 ? 43.776 -30.620 -19.609 1.000 60.361  0 137 VAL   BBB CB  1 ? 31 
ATOM   1175 C CG1 . VAL   A 1 138 ? 43.363 -30.052 -18.257 1.000 62.832  0 137 VAL   BBB CG1 1 ? 31 
ATOM   1176 C CG2 . VAL   A 1 138 ? 42.951 -29.989 -20.728 1.000 58.906  0 137 VAL   BBB CG2 1 ? 31 
ATOM   1177 N N   . ALA   A 1 139 ? 46.499 -32.166 -18.624 1.000 65.081  0 138 ALA   BBB N   1 ? 31 
ATOM   1178 C CA  . ALA   A 1 139 ? 47.405 -32.733 -17.597 1.000 67.119  0 138 ALA   BBB CA  1 ? 31 
ATOM   1179 C C   . ALA   A 1 139 ? 48.770 -32.041 -17.679 1.000 66.955  0 138 ALA   BBB C   1 ? 31 
ATOM   1180 O O   . ALA   A 1 139 ? 49.263 -31.604 -16.629 1.000 68.814  0 138 ALA   BBB O   1 ? 31 
ATOM   1181 C CB  . ALA   A 1 139 ? 47.515 -34.230 -17.761 1.000 69.117  0 138 ALA   BBB CB  1 ? 31 
ATOM   1182 N N   . ASP   A 1 140 ? 49.342 -31.925 -18.882 1.000 67.494  0 139 ASP   BBB N   1 ? 31 
ATOM   1183 C CA  . ASP   A 1 140 ? 50.681 -31.315 -19.114 1.000 69.723  0 139 ASP   BBB CA  1 ? 31 
ATOM   1184 C C   . ASP   A 1 140 ? 50.631 -29.822 -18.762 1.000 69.767  0 139 ASP   BBB C   1 ? 31 
ATOM   1185 O O   . ASP   A 1 140 ? 51.625 -29.323 -18.208 1.000 72.951  0 139 ASP   BBB O   1 ? 31 
ATOM   1186 C CB  . ASP   A 1 140 ? 51.164 -31.539 -20.548 1.000 70.834  0 139 ASP   BBB CB  1 ? 31 
ATOM   1187 C CG  . ASP   A 1 140 ? 51.384 -33.001 -20.919 1.000 74.400  0 139 ASP   BBB CG  1 ? 31 
ATOM   1188 O OD1 . ASP   A 1 140 ? 51.314 -33.855 -20.015 1.000 78.669  0 139 ASP   BBB OD1 1 ? 31 
ATOM   1189 O OD2 . ASP   A 1 140 ? 51.594 -33.283 -22.128 1.000 72.816  0 139 ASP   BBB OD2 1 ? 31 
ATOM   1190 N N   . LEU   A 1 141 ? 49.519 -29.143 -19.067 1.000 68.521  0 140 LEU   BBB N   1 ? 31 
ATOM   1191 C CA  . LEU   A 1 141 ? 49.273 -27.722 -18.701 1.000 69.341  0 140 LEU   BBB CA  1 ? 31 
ATOM   1192 C C   . LEU   A 1 141 ? 49.227 -27.602 -17.175 1.000 72.778  0 140 LEU   BBB C   1 ? 31 
ATOM   1193 O O   . LEU   A 1 141 ? 49.779 -26.615 -16.665 1.000 74.854  0 140 LEU   BBB O   1 ? 31 
ATOM   1194 C CB  . LEU   A 1 141 ? 47.962 -27.223 -19.324 1.000 66.521  0 140 LEU   BBB CB  1 ? 31 
ATOM   1195 C CG  . LEU   A 1 141 ? 47.973 -27.005 -20.837 1.000 64.878  0 140 LEU   BBB CG  1 ? 31 
ATOM   1196 C CD1 . LEU   A 1 141 ? 46.577 -26.701 -21.348 1.000 63.506  0 140 LEU   BBB CD1 1 ? 31 
ATOM   1197 C CD2 . LEU   A 1 141 ? 48.924 -25.892 -21.225 1.000 66.961  0 140 LEU   BBB CD2 1 ? 31 
ATOM   1198 N N   . HIS   A 1 142 ? 48.588 -28.559 -16.485 1.000 75.165  0 141 HIS   BBB N   1 ? 31 
ATOM   1199 C CA  . HIS   A 1 142 ? 48.510 -28.629 -14.996 1.000 79.032  0 141 HIS   BBB CA  1 ? 31 
ATOM   1200 C C   . HIS   A 1 142 ? 49.919 -28.799 -14.414 1.000 81.998  0 141 HIS   BBB C   1 ? 31 
ATOM   1201 O O   . HIS   A 1 142 ? 50.217 -28.122 -13.414 1.000 86.381  0 141 HIS   BBB O   1 ? 31 
ATOM   1202 C CB  . HIS   A 1 142 ? 47.552 -29.737 -14.520 1.000 78.635  0 141 HIS   BBB CB  1 ? 31 
ATOM   1203 C CG  . HIS   A 1 142 ? 46.139 -29.292 -14.325 1.000 79.780  0 141 HIS   BBB CG  1 ? 31 
ATOM   1204 N ND1 . HIS   A 1 142 ? 45.655 -28.899 -13.093 1.000 84.268  0 141 HIS   BBB ND1 1 ? 31 
ATOM   1205 C CD2 . HIS   A 1 142 ? 45.101 -29.183 -15.182 1.000 78.025  0 141 HIS   BBB CD2 1 ? 31 
ATOM   1206 C CE1 . HIS   A 1 142 ? 44.388 -28.555 -13.205 1.000 82.976  0 141 HIS   BBB CE1 1 ? 31 
ATOM   1207 N NE2 . HIS   A 1 142 ? 44.025 -28.723 -14.474 1.000 79.301  0 141 HIS   BBB NE2 1 ? 31 
ATOM   1208 N N   . ARG   A 1 143 ? 50.754 -29.649 -15.022 1.000 80.673  0 142 ARG   BBB N   1 ? 32 
ATOM   1209 C CA  . ARG   A 1 143 ? 52.153 -29.904 -14.584 1.000 83.438  0 142 ARG   BBB CA  1 ? 32 
ATOM   1210 C C   . ARG   A 1 143 ? 52.984 -28.632 -14.796 1.000 84.598  0 142 ARG   BBB C   1 ? 32 
ATOM   1211 O O   . ARG   A 1 143 ? 53.690 -28.227 -13.853 1.000 84.295  0 142 ARG   BBB O   1 ? 32 
ATOM   1212 C CB  . ARG   A 1 143 ? 52.782 -31.080 -15.342 1.000 87.176  0 142 ARG   BBB CB  1 ? 32 
ATOM   1213 C CG  . ARG   A 1 143 ? 54.184 -31.436 -14.864 1.000 90.727  0 142 ARG   BBB CG  1 ? 32 
ATOM   1214 C CD  . ARG   A 1 143 ? 54.952 -32.375 -15.778 1.000 95.151  0 142 ARG   BBB CD  1 ? 32 
ATOM   1215 N NE  . ARG   A 1 143 ? 54.225 -33.614 -16.014 1.000 99.345  0 142 ARG   BBB NE  1 ? 32 
ATOM   1216 C CZ  . ARG   A 1 143 ? 53.761 -34.034 -17.194 1.000 104.821 0 142 ARG   BBB CZ  1 ? 32 
ATOM   1217 N NH1 . ARG   A 1 143 ? 53.959 -33.333 -18.303 1.000 105.737 0 142 ARG   BBB NH1 1 ? 32 
ATOM   1218 N NH2 . ARG   A 1 143 ? 53.114 -35.186 -17.264 1.000 106.953 0 142 ARG   BBB NH2 1 ? 32 
ATOM   1219 N N   . ALA   A 1 144 ? 52.907 -28.035 -15.989 1.000 86.000  0 143 ALA   BBB N   1 ? 32 
ATOM   1220 C CA  . ALA   A 1 144 ? 53.647 -26.810 -16.376 1.000 86.583  0 143 ALA   BBB CA  1 ? 32 
ATOM   1221 C C   . ALA   A 1 144 ? 53.326 -25.670 -15.402 1.000 86.844  0 143 ALA   BBB C   1 ? 32 
ATOM   1222 O O   . ALA   A 1 144 ? 54.236 -24.897 -15.088 1.000 88.439  0 143 ALA   BBB O   1 ? 32 
ATOM   1223 C CB  . ALA   A 1 144 ? 53.311 -26.430 -17.798 1.000 87.918  0 143 ALA   BBB CB  1 ? 32 
ATOM   1224 N N   . CYS   A 1 145 ? 52.074 -25.569 -14.949 1.000 89.105  0 144 CYS   BBB N   1 ? 32 
ATOM   1225 C CA  . CYS   A 1 145 ? 51.581 -24.516 -14.021 1.000 94.221  0 144 CYS   BBB CA  1 ? 32 
ATOM   1226 C C   . CYS   A 1 145 ? 52.163 -24.741 -12.614 1.000 97.116  0 144 CYS   BBB C   1 ? 32 
ATOM   1227 O O   . CYS   A 1 145 ? 52.694 -23.771 -12.033 1.000 97.645  0 144 CYS   BBB O   1 ? 32 
ATOM   1228 C CB  . CYS   A 1 145 ? 50.058 -24.512 -13.977 1.000 96.105  0 144 CYS   BBB CB  1 ? 32 
ATOM   1229 S SG  . CYS   A 1 145 ? 49.346 -22.930 -13.454 1.000 98.950  0 144 CYS   BBB SG  1 ? 32 
ATOM   1230 N N   . ARG   A 1 146 ? 52.070 -25.976 -12.106 1.000 99.241  0 145 ARG   BBB N   1 ? 32 
ATOM   1231 C CA  . ARG   A 1 146 ? 52.539 -26.398 -10.756 1.000 103.535 0 145 ARG   BBB CA  1 ? 32 
ATOM   1232 C C   . ARG   A 1 146 ? 54.073 -26.322 -10.682 1.000 103.848 0 145 ARG   BBB C   1 ? 32 
ATOM   1233 O O   . ARG   A 1 146 ? 54.583 -25.851 -9.649  1.000 107.413 0 145 ARG   BBB O   1 ? 32 
ATOM   1234 C CB  . ARG   A 1 146 ? 52.010 -27.800 -10.431 1.000 107.825 0 145 ARG   BBB CB  1 ? 32 
ATOM   1235 C CG  . ARG   A 1 146 ? 50.606 -27.806 -9.843  1.000 111.990 0 145 ARG   BBB CG  1 ? 32 
ATOM   1236 C CD  . ARG   A 1 146 ? 50.238 -29.191 -9.332  1.000 115.327 0 145 ARG   BBB CD  1 ? 32 
ATOM   1237 N NE  . ARG   A 1 146 ? 50.039 -30.200 -10.376 1.000 115.828 0 145 ARG   BBB NE  1 ? 32 
ATOM   1238 C CZ  . ARG   A 1 146 ? 50.931 -31.113 -10.777 1.000 113.949 0 145 ARG   BBB CZ  1 ? 32 
ATOM   1239 N NH1 . ARG   A 1 146 ? 52.139 -31.174 -10.239 1.000 113.586 0 145 ARG   BBB NH1 1 ? 32 
ATOM   1240 N NH2 . ARG   A 1 146 ? 50.597 -31.985 -11.714 1.000 111.922 0 145 ARG   BBB NH2 1 ? 32 
ATOM   1241 N N   . GLU   A 1 147 ? 54.779 -26.737 -11.741 1.000 101.882 0 146 GLU   BBB N   1 ? 32 
ATOM   1242 C CA  . GLU   A 1 147 ? 56.264 -26.667 -11.847 1.000 101.089 0 146 GLU   BBB CA  1 ? 32 
ATOM   1243 C C   . GLU   A 1 147 ? 56.707 -25.259 -12.274 1.000 102.296 0 146 GLU   BBB C   1 ? 32 
ATOM   1244 O O   . GLU   A 1 147 ? 57.865 -25.119 -12.717 1.000 103.686 0 146 GLU   BBB O   1 ? 32 
ATOM   1245 C CB  . GLU   A 1 147 ? 56.775 -27.712 -12.841 1.000 100.073 0 146 GLU   BBB CB  1 ? 32 
ATOM   1246 C CG  . GLU   A 1 147 ? 56.551 -29.148 -12.404 1.000 99.878  0 146 GLU   BBB CG  1 ? 32 
ATOM   1247 C CD  . GLU   A 1 147 ? 57.153 -30.178 -13.351 1.000 101.064 0 146 GLU   BBB CD  1 ? 32 
ATOM   1248 O OE1 . GLU   A 1 147 ? 57.846 -29.773 -14.315 1.000 99.539  0 146 GLU   BBB OE1 1 ? 32 
ATOM   1249 O OE2 . GLU   A 1 147 ? 56.920 -31.388 -13.134 1.000 102.661 0 146 GLU   BBB OE2 1 ? 32 
ATOM   1250 N N   . LYS   A 1 148 ? 55.819 -24.263 -12.147 1.000 103.691 0 147 LYS   BBB N   1 ? 32 
ATOM   1251 C CA  . LYS   A 1 148 ? 56.043 -22.814 -12.439 1.000 104.697 0 147 LYS   BBB CA  1 ? 32 
ATOM   1252 C C   . LYS   A 1 148 ? 57.057 -22.636 -13.579 1.000 103.268 0 147 LYS   BBB C   1 ? 32 
ATOM   1253 O O   . LYS   A 1 148 ? 57.961 -21.795 -13.436 1.000 103.626 0 147 LYS   BBB O   1 ? 32 
ATOM   1254 C CB  . LYS   A 1 148 ? 56.470 -22.074 -11.163 1.000 107.245 0 147 LYS   BBB CB  1 ? 32 
ATOM   1255 C CG  . LYS   A 1 148 ? 55.587 -22.338 -9.946  1.000 109.779 0 147 LYS   BBB CG  1 ? 32 
ATOM   1256 C CD  . LYS   A 1 148 ? 55.439 -21.209 -8.946  1.000 112.975 0 147 LYS   BBB CD  1 ? 32 
ATOM   1257 C CE  . LYS   A 1 148 ? 54.371 -21.527 -7.916  1.000 114.697 0 147 LYS   BBB CE  1 ? 32 
ATOM   1258 N NZ  . LYS   A 1 148 ? 54.115 -20.391 -7.002  1.000 118.579 0 147 LYS   BBB NZ  1 ? 32 
ATOM   1259 N N   . ARG   A 1 149 ? 56.889 -23.381 -14.677 1.000 103.320 0 148 ARG   BBB N   1 ? 33 
ATOM   1260 C CA  . ARG   A 1 149 ? 57.711 -23.255 -15.912 1.000 102.566 0 148 ARG   BBB CA  1 ? 33 
ATOM   1261 C C   . ARG   A 1 149 ? 57.399 -21.907 -16.564 1.000 96.092  0 148 ARG   BBB C   1 ? 33 
ATOM   1262 O O   . ARG   A 1 149 ? 56.339 -21.331 -16.253 1.000 95.661  0 148 ARG   BBB O   1 ? 33 
ATOM   1263 C CB  . ARG   A 1 149 ? 57.430 -24.392 -16.899 1.000 106.882 0 148 ARG   BBB CB  1 ? 33 
ATOM   1264 C CG  . ARG   A 1 149 ? 57.775 -25.776 -16.369 1.000 114.209 0 148 ARG   BBB CG  1 ? 33 
ATOM   1265 C CD  . ARG   A 1 149 ? 57.555 -26.831 -17.435 1.000 118.149 0 148 ARG   BBB CD  1 ? 33 
ATOM   1266 N NE  . ARG   A 1 149 ? 58.752 -26.989 -18.252 1.000 119.937 0 148 ARG   BBB NE  1 ? 33 
ATOM   1267 C CZ  . ARG   A 1 149 ? 59.749 -27.833 -17.993 1.000 122.513 0 148 ARG   BBB CZ  1 ? 33 
ATOM   1268 N NH1 . ARG   A 1 149 ? 59.708 -28.624 -16.932 1.000 123.400 0 148 ARG   BBB NH1 1 ? 33 
ATOM   1269 N NH2 . ARG   A 1 149 ? 60.793 -27.875 -18.801 1.000 124.734 0 148 ARG   BBB NH2 1 ? 33 
ATOM   1270 N N   . ASP   A 1 150 ? 58.293 -21.428 -17.426 1.000 92.559  0 149 ASP   BBB N   1 ? 33 
ATOM   1271 C CA  . ASP   A 1 150 ? 58.149 -20.125 -18.123 1.000 89.611  0 149 ASP   BBB CA  1 ? 33 
ATOM   1272 C C   . ASP   A 1 150 ? 57.280 -20.345 -19.356 1.000 85.139  0 149 ASP   BBB C   1 ? 33 
ATOM   1273 O O   . ASP   A 1 150 ? 57.637 -21.133 -20.227 1.000 85.530  0 149 ASP   BBB O   1 ? 33 
ATOM   1274 C CB  . ASP   A 1 150 ? 59.515 -19.530 -18.472 1.000 91.680  0 149 ASP   BBB CB  1 ? 33 
ATOM   1275 C CG  . ASP   A 1 150 ? 59.465 -18.091 -18.961 1.000 94.328  0 149 ASP   BBB CG  1 ? 33 
ATOM   1276 O OD1 . ASP   A 1 150 ? 58.420 -17.433 -18.767 1.000 94.520  0 149 ASP   BBB OD1 1 ? 33 
ATOM   1277 O OD2 . ASP   A 1 150 ? 60.474 -17.641 -19.537 1.000 99.103  0 149 ASP   BBB OD2 1 ? 33 
ATOM   1278 N N   . PRO   A 1 151 ? 56.114 -19.668 -19.462 1.000 81.877  0 150 PRO   BBB N   1 ? 33 
ATOM   1279 C CA  . PRO   A 1 151 ? 55.301 -19.721 -20.678 1.000 81.235  0 150 PRO   BBB CA  1 ? 33 
ATOM   1280 C C   . PRO   A 1 151 ? 56.086 -19.449 -21.971 1.000 79.943  0 150 PRO   BBB C   1 ? 33 
ATOM   1281 O O   . PRO   A 1 151 ? 55.713 -19.992 -22.991 1.000 79.317  0 150 PRO   BBB O   1 ? 33 
ATOM   1282 C CB  . PRO   A 1 151 ? 54.265 -18.613 -20.443 1.000 82.243  0 150 PRO   BBB CB  1 ? 33 
ATOM   1283 C CG  . PRO   A 1 151 ? 54.110 -18.553 -18.943 1.000 82.628  0 150 PRO   BBB CG  1 ? 33 
ATOM   1284 C CD  . PRO   A 1 151 ? 55.495 -18.850 -18.407 1.000 82.725  0 150 PRO   BBB CD  1 ? 33 
ATOM   1285 N N   . ALA   A 1 152 ? 57.138 -18.625 -21.896 1.000 80.940  0 151 ALA   BBB N   1 ? 33 
ATOM   1286 C CA  . ALA   A 1 152 ? 57.977 -18.181 -23.037 1.000 81.417  0 151 ALA   BBB CA  1 ? 33 
ATOM   1287 C C   . ALA   A 1 152 ? 59.072 -19.210 -23.355 1.000 82.558  0 151 ALA   BBB C   1 ? 33 
ATOM   1288 O O   . ALA   A 1 152 ? 59.730 -19.056 -24.404 1.000 80.928  0 151 ALA   BBB O   1 ? 33 
ATOM   1289 C CB  . ALA   A 1 152 ? 58.574 -16.825 -22.743 1.000 81.712  0 151 ALA   BBB CB  1 ? 33 
ATOM   1290 N N   . SER   A 1 153 ? 59.268 -20.218 -22.495 1.000 85.191  0 152 SER   BBB N   1 ? 33 
ATOM   1291 C CA  . SER   A 1 153 ? 60.289 -21.289 -22.666 1.000 88.000  0 152 SER   BBB CA  1 ? 33 
ATOM   1292 C C   . SER   A 1 153 ? 59.990 -22.076 -23.940 1.000 90.373  0 152 SER   BBB C   1 ? 33 
ATOM   1293 O O   . SER   A 1 153 ? 58.885 -21.984 -24.468 1.000 93.889  0 152 SER   BBB O   1 ? 33 
ATOM   1294 C CB  . SER   A 1 153 ? 60.352 -22.188 -21.451 1.000 87.039  0 152 SER   BBB CB  1 ? 33 
ATOM   1295 O OG  . SER   A 1 153 ? 59.131 -22.876 -21.248 1.000 86.769  0 152 SER   BBB OG  1 ? 33 
ATOM   1296 N N   . PRO   A 1 154 ? 60.950 -22.851 -24.498 1.000 93.683  0 153 PRO   BBB N   1 ? 33 
ATOM   1297 C CA  . PRO   A 1 154 ? 60.650 -23.753 -25.612 1.000 93.659  0 153 PRO   BBB CA  1 ? 33 
ATOM   1298 C C   . PRO   A 1 154 ? 59.604 -24.822 -25.254 1.000 92.351  0 153 PRO   BBB C   1 ? 33 
ATOM   1299 O O   . PRO   A 1 154 ? 58.834 -25.175 -26.126 1.000 94.063  0 153 PRO   BBB O   1 ? 33 
ATOM   1300 C CB  . PRO   A 1 154 ? 62.003 -24.411 -25.942 1.000 95.045  0 153 PRO   BBB CB  1 ? 33 
ATOM   1301 C CG  . PRO   A 1 154 ? 63.028 -23.450 -25.385 1.000 94.727  0 153 PRO   BBB CG  1 ? 33 
ATOM   1302 C CD  . PRO   A 1 154 ? 62.378 -22.869 -24.144 1.000 94.161  0 153 PRO   BBB CD  1 ? 33 
ATOM   1303 N N   . GLU   A 1 155 ? 59.598 -25.298 -24.002 1.000 88.371  0 154 GLU   BBB N   1 ? 34 
ATOM   1304 C CA  . GLU   A 1 155 ? 58.681 -26.365 -23.514 1.000 87.891  0 154 GLU   BBB CA  1 ? 34 
ATOM   1305 C C   . GLU   A 1 155 ? 57.283 -25.771 -23.322 1.000 82.771  0 154 GLU   BBB C   1 ? 34 
ATOM   1306 O O   . GLU   A 1 155 ? 56.294 -26.491 -23.595 1.000 79.654  0 154 GLU   BBB O   1 ? 34 
ATOM   1307 C CB  . GLU   A 1 155 ? 59.180 -27.004 -22.214 1.000 91.516  0 154 GLU   BBB CB  1 ? 34 
ATOM   1308 C CG  . GLU   A 1 155 ? 60.537 -27.678 -22.340 1.000 97.424  0 154 GLU   BBB CG  1 ? 34 
ATOM   1309 C CD  . GLU   A 1 155 ? 61.738 -26.819 -21.961 1.000 100.356 0 154 GLU   BBB CD  1 ? 34 
ATOM   1310 O OE1 . GLU   A 1 155 ? 61.625 -25.566 -21.997 1.000 99.960  0 154 GLU   BBB OE1 1 ? 34 
ATOM   1311 O OE2 . GLU   A 1 155 ? 62.791 -27.404 -21.643 1.000 104.832 0 154 GLU   BBB OE2 1 ? 34 
ATOM   1312 N N   . GLY   A 1 156 ? 57.219 -24.512 -22.873 1.000 78.312  0 155 GLY   BBB N   1 ? 34 
ATOM   1313 C CA  . GLY   A 1 156 ? 55.978 -23.725 -22.769 1.000 76.469  0 155 GLY   BBB CA  1 ? 34 
ATOM   1314 C C   . GLY   A 1 156 ? 55.357 -23.470 -24.135 1.000 74.592  0 155 GLY   BBB C   1 ? 34 
ATOM   1315 O O   . GLY   A 1 156 ? 54.116 -23.538 -24.241 1.000 73.414  0 155 GLY   BBB O   1 ? 34 
ATOM   1316 N N   . GLN   A 1 157 ? 56.189 -23.197 -25.143 1.000 73.303  0 156 GLN   BBB N   1 ? 34 
ATOM   1317 C CA  . GLN   A 1 157 ? 55.756 -22.930 -26.539 1.000 74.664  0 156 GLN   BBB CA  1 ? 34 
ATOM   1318 C C   . GLN   A 1 157 ? 55.353 -24.236 -27.231 1.000 74.088  0 156 GLN   BBB C   1 ? 34 
ATOM   1319 O O   . GLN   A 1 157 ? 54.539 -24.158 -28.167 1.000 74.897  0 156 GLN   BBB O   1 ? 34 
ATOM   1320 C CB  . GLN   A 1 157 ? 56.853 -22.205 -27.321 1.000 75.759  0 156 GLN   BBB CB  1 ? 34 
ATOM   1321 C CG  . GLN   A 1 157 ? 56.990 -20.737 -26.936 1.000 76.234  0 156 GLN   BBB CG  1 ? 34 
ATOM   1322 C CD  . GLN   A 1 157 ? 55.695 -19.979 -27.105 1.000 77.061  0 156 GLN   BBB CD  1 ? 34 
ATOM   1323 O OE1 . GLN   A 1 157 ? 55.292 -19.636 -28.215 1.000 80.268  0 156 GLN   BBB OE1 1 ? 34 
ATOM   1324 N NE2 . GLN   A 1 157 ? 55.025 -19.718 -25.991 1.000 76.570  0 156 GLN   BBB NE2 1 ? 34 
ATOM   1325 N N   . GLN   A 1 158 ? 55.902 -25.379 -26.804 1.000 74.876  0 157 GLN   BBB N   1 ? 34 
ATOM   1326 C CA  . GLN   A 1 158 ? 55.494 -26.723 -27.300 1.000 75.931  0 157 GLN   BBB CA  1 ? 34 
ATOM   1327 C C   . GLN   A 1 158 ? 54.048 -26.993 -26.860 1.000 72.482  0 157 GLN   BBB C   1 ? 34 
ATOM   1328 O O   . GLN   A 1 158 ? 53.291 -27.545 -27.672 1.000 72.363  0 157 GLN   BBB O   1 ? 34 
ATOM   1329 C CB  . GLN   A 1 158 ? 56.439 -27.821 -26.805 1.000 78.865  0 157 GLN   BBB CB  1 ? 34 
ATOM   1330 C CG  . GLN   A 1 158 ? 57.499 -28.225 -27.821 1.000 83.403  0 157 GLN   BBB CG  1 ? 34 
ATOM   1331 C CD  . GLN   A 1 158 ? 58.590 -29.076 -27.208 1.000 87.498  0 157 GLN   BBB CD  1 ? 34 
ATOM   1332 O OE1 . GLN   A 1 158 ? 58.913 -28.964 -26.027 1.000 87.247  0 157 GLN   BBB OE1 1 ? 34 
ATOM   1333 N NE2 . GLN   A 1 158 ? 59.185 -29.939 -28.015 1.000 90.831  0 157 GLN   BBB NE2 1 ? 34 
ATOM   1334 N N   . LEU   A 1 159 ? 53.689 -26.611 -25.631 1.000 69.670  0 158 LEU   BBB N   1 ? 34 
ATOM   1335 C CA  . LEU   A 1 159 ? 52.312 -26.762 -25.081 1.000 69.685  0 158 LEU   BBB CA  1 ? 34 
ATOM   1336 C C   . LEU   A 1 159 ? 51.353 -25.811 -25.815 1.000 64.788  0 158 LEU   BBB C   1 ? 34 
ATOM   1337 O O   . LEU   A 1 159 ? 50.249 -26.259 -26.182 1.000 62.634  0 158 LEU   BBB O   1 ? 34 
ATOM   1338 C CB  . LEU   A 1 159 ? 52.320 -26.506 -23.568 1.000 70.605  0 158 LEU   BBB CB  1 ? 34 
ATOM   1339 C CG  . LEU   A 1 159 ? 53.014 -27.578 -22.725 1.000 73.577  0 158 LEU   BBB CG  1 ? 34 
ATOM   1340 C CD1 . LEU   A 1 159 ? 52.824 -27.325 -21.235 1.000 74.871  0 158 LEU   BBB CD1 1 ? 34 
ATOM   1341 C CD2 . LEU   A 1 159 ? 52.523 -28.971 -23.087 1.000 74.008  0 158 LEU   BBB CD2 1 ? 34 
ATOM   1342 N N   . ALA   A 1 160 ? 51.764 -24.561 -26.035 1.000 62.594  0 159 ALA   BBB N   1 ? 34 
ATOM   1343 C CA  . ALA   A 1 160 ? 50.979 -23.543 -26.772 1.000 62.731  0 159 ALA   BBB CA  1 ? 34 
ATOM   1344 C C   . ALA   A 1 160 ? 50.661 -24.048 -28.187 1.000 62.037  0 159 ALA   BBB C   1 ? 34 
ATOM   1345 O O   . ALA   A 1 160 ? 49.496 -23.897 -28.618 1.000 61.848  0 159 ALA   BBB O   1 ? 34 
ATOM   1346 C CB  . ALA   A 1 160 ? 51.720 -22.235 -26.813 1.000 62.920  0 159 ALA   BBB CB  1 ? 34 
ATOM   1347 N N   . GLN   A 1 161 ? 51.647 -24.629 -28.878 1.000 62.162  0 160 GLN   BBB N   1 ? 34 
ATOM   1348 C CA  . GLN   A 1 161 ? 51.489 -25.172 -30.258 1.000 64.251  0 160 GLN   BBB CA  1 ? 34 
ATOM   1349 C C   . GLN   A 1 161 ? 50.574 -26.402 -30.240 1.000 61.809  0 160 GLN   BBB C   1 ? 34 
ATOM   1350 O O   . GLN   A 1 161 ? 49.775 -26.557 -31.195 1.000 61.194  0 160 GLN   BBB O   1 ? 34 
ATOM   1351 C CB  . GLN   A 1 161 ? 52.840 -25.538 -30.870 1.000 67.907  0 160 GLN   BBB CB  1 ? 34 
ATOM   1352 C CG  . GLN   A 1 161 ? 53.694 -24.320 -31.208 1.000 72.989  0 160 GLN   BBB CG  1 ? 34 
ATOM   1353 C CD  . GLN   A 1 161 ? 53.292 -23.628 -32.490 1.000 77.543  0 160 GLN   BBB CD  1 ? 34 
ATOM   1354 O OE1 . GLN   A 1 161 ? 52.297 -23.964 -33.138 1.000 79.568  0 160 GLN   BBB OE1 1 ? 34 
ATOM   1355 N NE2 . GLN   A 1 161 ? 54.080 -22.635 -32.865 1.000 82.415  0 160 GLN   BBB NE2 1 ? 34 
ATOM   1356 N N   . ARG   A 1 162 ? 50.707 -27.257 -29.222 1.000 59.577  0 161 ARG   BBB N   1 ? 34 
ATOM   1357 C CA  . ARG   A 1 162 ? 49.846 -28.458 -29.046 1.000 59.454  0 161 ARG   BBB CA  1 ? 34 
ATOM   1358 C C   . ARG   A 1 162 ? 48.412 -27.979 -28.802 1.000 57.012  0 161 ARG   BBB C   1 ? 34 
ATOM   1359 O O   . ARG   A 1 162 ? 47.495 -28.537 -29.426 1.000 55.311  0 161 ARG   BBB O   1 ? 34 
ATOM   1360 C CB  . ARG   A 1 162 ? 50.340 -29.357 -27.905 1.000 59.891  0 161 ARG   BBB CB  1 ? 34 
ATOM   1361 C CG  . ARG   A 1 162 ? 51.504 -30.256 -28.295 1.000 62.558  0 161 ARG   BBB CG  1 ? 34 
ATOM   1362 C CD  . ARG   A 1 162 ? 52.027 -31.030 -27.100 1.000 63.795  0 161 ARG   BBB CD  1 ? 34 
ATOM   1363 N NE  . ARG   A 1 162 ? 50.997 -31.900 -26.550 1.000 63.683  0 161 ARG   BBB NE  1 ? 34 
ATOM   1364 C CZ  . ARG   A 1 162 ? 50.976 -32.375 -25.311 1.000 65.193  0 161 ARG   BBB CZ  1 ? 34 
ATOM   1365 N NH1 . ARG   A 1 162 ? 51.923 -32.039 -24.455 1.000 68.111  0 161 ARG   BBB NH1 1 ? 34 
ATOM   1366 N NH2 . ARG   A 1 162 ? 49.998 -33.174 -24.914 1.000 64.850  0 161 ARG   BBB NH2 1 ? 34 
ATOM   1367 N N   . TRP   A 1 163 ? 48.245 -26.961 -27.954 1.000 54.634  0 162 TRP   BBB N   1 ? 34 
ATOM   1368 C CA  . TRP   A 1 163 ? 46.923 -26.353 -27.687 1.000 54.366  0 162 TRP   BBB CA  1 ? 34 
ATOM   1369 C C   . TRP   A 1 163 ? 46.338 -25.842 -29.005 1.000 55.161  0 162 TRP   BBB C   1 ? 34 
ATOM   1370 O O   . TRP   A 1 163 ? 45.185 -26.194 -29.316 1.000 53.831  0 162 TRP   BBB O   1 ? 34 
ATOM   1371 C CB  . TRP   A 1 163 ? 46.995 -25.237 -26.644 1.000 54.178  0 162 TRP   BBB CB  1 ? 34 
ATOM   1372 C CG  . TRP   A 1 163 ? 45.718 -24.467 -26.617 1.000 54.247  0 162 TRP   BBB CG  1 ? 34 
ATOM   1373 C CD1 . TRP   A 1 163 ? 44.588 -24.770 -25.915 1.000 54.999  0 162 TRP   BBB CD1 1 ? 34 
ATOM   1374 C CD2 . TRP   A 1 163 ? 45.401 -23.327 -27.426 1.000 53.834  0 162 TRP   BBB CD2 1 ? 34 
ATOM   1375 N NE1 . TRP   A 1 163 ? 43.599 -23.867 -26.205 1.000 56.372  0 162 TRP   BBB NE1 1 ? 34 
ATOM   1376 C CE2 . TRP   A 1 163 ? 44.071 -22.970 -27.127 1.000 55.196  0 162 TRP   BBB CE2 1 ? 34 
ATOM   1377 C CE3 . TRP   A 1 163 ? 46.121 -22.559 -28.346 1.000 54.888  0 162 TRP   BBB CE3 1 ? 34 
ATOM   1378 C CZ2 . TRP   A 1 163 ? 43.448 -21.876 -27.728 1.000 56.361  0 162 TRP   BBB CZ2 1 ? 34 
ATOM   1379 C CZ3 . TRP   A 1 163 ? 45.512 -21.470 -28.929 1.000 55.806  0 162 TRP   BBB CZ3 1 ? 34 
ATOM   1380 C CH2 . TRP   A 1 163 ? 44.190 -21.136 -28.625 1.000 56.672  0 162 TRP   BBB CH2 1 ? 34 
ATOM   1381 N N   . LEU   A 1 164 ? 47.117 -25.078 -29.771 1.000 50.993  0 163 LEU   BBB N   1 ? 35 
ATOM   1382 C CA  . LEU   A 1 164 ? 46.635 -24.436 -31.020 1.000 51.667  0 163 LEU   BBB CA  1 ? 35 
ATOM   1383 C C   . LEU   A 1 164 ? 46.121 -25.512 -31.980 1.000 51.389  0 163 LEU   BBB C   1 ? 35 
ATOM   1384 O O   . LEU   A 1 164 ? 45.038 -25.310 -32.570 1.000 52.561  0 163 LEU   BBB O   1 ? 35 
ATOM   1385 C CB  . LEU   A 1 164 ? 47.758 -23.625 -31.666 1.000 54.680  0 163 LEU   BBB CB  1 ? 35 
ATOM   1386 C CG  . LEU   A 1 164 ? 47.360 -22.880 -32.943 1.000 54.873  0 163 LEU   BBB CG  1 ? 35 
ATOM   1387 C CD1 . LEU   A 1 164 ? 46.334 -21.811 -32.622 1.000 53.391  0 163 LEU   BBB CD1 1 ? 35 
ATOM   1388 C CD2 . LEU   A 1 164 ? 48.584 -22.269 -33.626 1.000 59.363  0 163 LEU   BBB CD2 1 ? 35 
ATOM   1389 N N   . ALA   A 1 165 ? 46.852 -26.617 -32.122 1.000 51.633  0 164 ALA   BBB N   1 ? 35 
ATOM   1390 C CA  . ALA   A 1 165 ? 46.489 -27.724 -33.035 1.000 52.560  0 164 ALA   BBB CA  1 ? 35 
ATOM   1391 C C   . ALA   A 1 165 ? 45.141 -28.331 -32.610 1.000 51.390  0 164 ALA   BBB C   1 ? 35 
ATOM   1392 O O   . ALA   A 1 165 ? 44.285 -28.549 -33.488 1.000 51.264  0 164 ALA   BBB O   1 ? 35 
ATOM   1393 C CB  . ALA   A 1 165 ? 47.589 -28.752 -33.080 1.000 54.404  0 164 ALA   BBB CB  1 ? 35 
ATOM   1394 N N   . LEU   A 1 166 ? 44.947 -28.600 -31.319 1.000 51.138  0 165 LEU   BBB N   1 ? 35 
ATOM   1395 C CA  . LEU   A 1 166 ? 43.709 -29.259 -30.828 1.000 50.585  0 165 LEU   BBB CA  1 ? 35 
ATOM   1396 C C   . LEU   A 1 166 ? 42.546 -28.280 -30.976 1.000 49.305  0 165 LEU   BBB C   1 ? 35 
ATOM   1397 O O   . LEU   A 1 166 ? 41.488 -28.683 -31.498 1.000 49.062  0 165 LEU   BBB O   1 ? 35 
ATOM   1398 C CB  . LEU   A 1 166 ? 43.891 -29.719 -29.380 1.000 51.909  0 165 LEU   BBB CB  1 ? 35 
ATOM   1399 C CG  . LEU   A 1 166 ? 44.778 -30.944 -29.179 1.000 54.803  0 165 LEU   BBB CG  1 ? 35 
ATOM   1400 C CD1 . LEU   A 1 166 ? 44.703 -31.442 -27.735 1.000 57.951  0 165 LEU   BBB CD1 1 ? 35 
ATOM   1401 C CD2 . LEU   A 1 166 ? 44.412 -32.049 -30.152 1.000 58.042  0 165 LEU   BBB CD2 1 ? 35 
ATOM   1402 N N   . PHE   A 1 167 ? 42.754 -27.031 -30.565 1.000 50.425  0 166 PHE   BBB N   1 ? 35 
ATOM   1403 C CA  . PHE   A 1 167 ? 41.778 -25.921 -30.695 1.000 48.413  0 166 PHE   BBB CA  1 ? 35 
ATOM   1404 C C   . PHE   A 1 167 ? 41.345 -25.772 -32.157 1.000 49.064  0 166 PHE   BBB C   1 ? 35 
ATOM   1405 O O   . PHE   A 1 167 ? 40.130 -25.791 -32.457 1.000 51.169  0 166 PHE   BBB O   1 ? 35 
ATOM   1406 C CB  . PHE   A 1 167 ? 42.369 -24.610 -30.181 1.000 48.553  0 166 PHE   BBB CB  1 ? 35 
ATOM   1407 C CG  . PHE   A 1 167 ? 41.484 -23.423 -30.461 1.000 47.973  0 166 PHE   BBB CG  1 ? 35 
ATOM   1408 C CD1 . PHE   A 1 167 ? 40.332 -23.210 -29.719 1.000 48.022  0 166 PHE   BBB CD1 1 ? 35 
ATOM   1409 C CD2 . PHE   A 1 167 ? 41.767 -22.570 -31.506 1.000 49.766  0 166 PHE   BBB CD2 1 ? 35 
ATOM   1410 C CE1 . PHE   A 1 167 ? 39.506 -22.131 -29.984 1.000 50.732  0 166 PHE   BBB CE1 1 ? 35 
ATOM   1411 C CE2 . PHE   A 1 167 ? 40.938 -21.491 -31.772 1.000 52.372  0 166 PHE   BBB CE2 1 ? 35 
ATOM   1412 C CZ  . PHE   A 1 167 ? 39.806 -21.277 -31.015 1.000 51.556  0 166 PHE   BBB CZ  1 ? 35 
ATOM   1413 N N   . GLN   A 1 168 ? 42.306 -25.631 -33.062 1.000 49.457  0 167 GLN   BBB N   1 ? 35 
ATOM   1414 C CA  . GLN   A 1 168 ? 42.005 -25.438 -34.501 1.000 49.605  0 167 GLN   BBB CA  1 ? 35 
ATOM   1415 C C   . GLN   A 1 168 ? 41.272 -26.660 -35.062 1.000 50.374  0 167 GLN   BBB C   1 ? 35 
ATOM   1416 O O   . GLN   A 1 168 ? 40.535 -26.483 -36.042 1.000 50.921  0 167 GLN   BBB O   1 ? 35 
ATOM   1417 C CB  . GLN   A 1 168 ? 43.269 -25.116 -35.286 1.000 50.877  0 167 GLN   BBB CB  1 ? 35 
ATOM   1418 C CG  . GLN   A 1 168 ? 43.769 -23.707 -35.010 1.000 53.268  0 167 GLN   BBB CG  1 ? 35 
ATOM   1419 C CD  . GLN   A 1 168 ? 44.985 -23.372 -35.835 1.000 56.370  0 167 GLN   BBB CD  1 ? 35 
ATOM   1420 O OE1 . GLN   A 1 168 ? 45.707 -24.253 -36.283 1.000 58.354  0 167 GLN   BBB OE1 1 ? 35 
ATOM   1421 N NE2 . GLN   A 1 168 ? 45.222 -22.086 -36.028 1.000 57.869  0 167 GLN   BBB NE2 1 ? 35 
ATOM   1422 N N   . SER   A 1 169 ? 41.438 -27.849 -34.473 1.000 51.221  0 168 SER   BBB N   1 ? 35 
ATOM   1423 C CA  . SER   A 1 169 ? 40.748 -29.075 -34.953 1.000 51.066  0 168 SER   BBB CA  1 ? 35 
ATOM   1424 C C   . SER   A 1 169 ? 39.227 -28.899 -34.830 1.000 50.257  0 168 SER   BBB C   1 ? 35 
ATOM   1425 O O   . SER   A 1 169 ? 38.531 -29.501 -35.651 1.000 52.797  0 168 SER   BBB O   1 ? 35 
ATOM   1426 C CB  . SER   A 1 169 ? 41.248 -30.337 -34.294 1.000 52.632  0 168 SER   BBB CB  1 ? 35 
ATOM   1427 O OG  . SER   A 1 169 ? 40.680 -30.528 -33.018 1.000 54.802  0 168 SER   BBB OG  1 ? 35 
ATOM   1428 N N   . TYR   A 1 170 ? 38.720 -28.079 -33.899 1.000 48.835  0 169 TYR   BBB N   1 ? 35 
ATOM   1429 C CA  . TYR   A 1 170 ? 37.255 -27.832 -33.773 1.000 49.683  0 169 TYR   BBB CA  1 ? 35 
ATOM   1430 C C   . TYR   A 1 170 ? 36.872 -26.388 -34.129 1.000 47.767  0 169 TYR   BBB C   1 ? 35 
ATOM   1431 O O   . TYR   A 1 170 ? 35.733 -26.184 -34.554 1.000 49.093  0 169 TYR   BBB O   1 ? 35 
ATOM   1432 C CB  . TYR   A 1 170 ? 36.734 -28.265 -32.401 1.000 51.884  0 169 TYR   BBB CB  1 ? 35 
ATOM   1433 C CG  . TYR   A 1 170 ? 37.096 -27.395 -31.220 1.000 53.425  0 169 TYR   BBB CG  1 ? 35 
ATOM   1434 C CD1 . TYR   A 1 170 ? 36.506 -26.156 -31.021 1.000 53.462  0 169 TYR   BBB CD1 1 ? 35 
ATOM   1435 C CD2 . TYR   A 1 170 ? 37.962 -27.855 -30.248 1.000 53.655  0 169 TYR   BBB CD2 1 ? 35 
ATOM   1436 C CE1 . TYR   A 1 170 ? 36.779 -25.390 -29.899 1.000 54.051  0 169 TYR   BBB CE1 1 ? 35 
ATOM   1437 C CE2 . TYR   A 1 170 ? 38.275 -27.090 -29.139 1.000 54.285  0 169 TYR   BBB CE2 1 ? 35 
ATOM   1438 C CZ  . TYR   A 1 170 ? 37.667 -25.867 -28.950 1.000 55.058  0 169 TYR   BBB CZ  1 ? 35 
ATOM   1439 O OH  . TYR   A 1 170 ? 37.994 -25.152 -27.839 1.000 54.762  0 169 TYR   BBB OH  1 ? 35 
ATOM   1440 N N   . ALA   A 1 171 ? 37.756 -25.411 -33.942 1.000 47.089  0 170 ALA   BBB N   1 ? 35 
ATOM   1441 C CA  . ALA   A 1 171 ? 37.478 -23.988 -34.251 1.000 47.339  0 170 ALA   BBB CA  1 ? 35 
ATOM   1442 C C   . ALA   A 1 171 ? 37.757 -23.664 -35.724 1.000 46.591  0 170 ALA   BBB C   1 ? 35 
ATOM   1443 O O   . ALA   A 1 171 ? 37.066 -22.793 -36.279 1.000 48.288  0 170 ALA   BBB O   1 ? 35 
ATOM   1444 C CB  . ALA   A 1 171 ? 38.270 -23.111 -33.334 1.000 48.333  0 170 ALA   BBB CB  1 ? 35 
ATOM   1445 N N   . GLY   A 1 172 ? 38.718 -24.331 -36.346 1.000 45.079  0 171 GLY   BBB N   1 ? 35 
ATOM   1446 C CA  . GLY   A 1 172 ? 39.218 -23.931 -37.678 1.000 46.739  0 171 GLY   BBB CA  1 ? 35 
ATOM   1447 C C   . GLY   A 1 172 ? 40.391 -22.978 -37.528 1.000 48.191  0 171 GLY   BBB C   1 ? 35 
ATOM   1448 O O   . GLY   A 1 172 ? 40.800 -22.758 -36.380 1.000 47.848  0 171 GLY   BBB O   1 ? 35 
ATOM   1449 N N   . LYS   A 1 173 ? 40.940 -22.468 -38.632 1.000 51.134  0 172 LYS   BBB N   1 ? 35 
ATOM   1450 C CA  . LYS   A 1 173 ? 42.284 -21.824 -38.653 1.000 53.809  0 172 LYS   BBB CA  1 ? 35 
ATOM   1451 C C   . LYS   A 1 173 ? 42.163 -20.318 -38.897 1.000 51.889  0 172 LYS   BBB C   1 ? 35 
ATOM   1452 O O   . LYS   A 1 173 ? 43.190 -19.682 -39.089 1.000 57.288  0 172 LYS   BBB O   1 ? 35 
ATOM   1453 C CB  . LYS   A 1 173 ? 43.168 -22.508 -39.703 1.000 59.284  0 172 LYS   BBB CB  1 ? 35 
ATOM   1454 C CG  . LYS   A 1 173 ? 43.436 -23.981 -39.435 1.000 62.275  0 172 LYS   BBB CG  1 ? 35 
ATOM   1455 C CD  . LYS   A 1 173 ? 44.691 -24.525 -40.083 1.000 68.859  0 172 LYS   BBB CD  1 ? 35 
ATOM   1456 C CE  . LYS   A 1 173 ? 44.953 -25.962 -39.681 1.000 71.868  0 172 LYS   BBB CE  1 ? 35 
ATOM   1457 N NZ  . LYS   A 1 173 ? 45.812 -26.670 -40.666 1.000 79.415  0 172 LYS   BBB NZ  1 ? 35 
ATOM   1458 N N   . ASP   A 1 174 ? 40.961 -19.761 -38.843 1.000 53.226  0 173 ASP   BBB N   1 ? 36 
ATOM   1459 C CA  . ASP   A 1 174 ? 40.726 -18.313 -39.064 1.000 53.075  0 173 ASP   BBB CA  1 ? 36 
ATOM   1460 C C   . ASP   A 1 174 ? 41.011 -17.545 -37.761 1.000 49.851  0 173 ASP   BBB C   1 ? 36 
ATOM   1461 O O   . ASP   A 1 174 ? 40.433 -17.878 -36.708 1.000 45.783  0 173 ASP   BBB O   1 ? 36 
ATOM   1462 C CB  . ASP   A 1 174 ? 39.313 -18.100 -39.604 1.000 56.821  0 173 ASP   BBB CB  1 ? 36 
ATOM   1463 C CG  . ASP   A 1 174 ? 39.015 -16.661 -39.959 1.000 60.880  0 173 ASP   BBB CG  1 ? 36 
ATOM   1464 O OD1 . ASP   A 1 174 ? 38.673 -15.905 -39.044 1.000 61.605  0 173 ASP   BBB OD1 1 ? 36 
ATOM   1465 O OD2 . ASP   A 1 174 ? 39.141 -16.314 -41.151 1.000 70.122  0 173 ASP   BBB OD2 1 ? 36 
ATOM   1466 N N   . ALA   A 1 175 ? 41.886 -16.546 -37.830 1.000 48.907  0 174 ALA   BBB N   1 ? 36 
ATOM   1467 C CA  . ALA   A 1 175 ? 42.371 -15.760 -36.673 1.000 48.492  0 174 ALA   BBB CA  1 ? 36 
ATOM   1468 C C   . ALA   A 1 175 ? 41.190 -15.037 -36.004 1.000 47.000  0 174 ALA   BBB C   1 ? 36 
ATOM   1469 O O   . ALA   A 1 175 ? 41.163 -14.942 -34.768 1.000 47.662  0 174 ALA   BBB O   1 ? 36 
ATOM   1470 C CB  . ALA   A 1 175 ? 43.437 -14.788 -37.125 1.000 49.512  0 174 ALA   BBB CB  1 ? 36 
ATOM   1471 N N   . GLN   A 1 176 ? 40.234 -14.555 -36.789 1.000 46.377  0 175 GLN   BBB N   1 ? 36 
ATOM   1472 C CA  . GLN   A 1 176 ? 39.049 -13.812 -36.288 1.000 47.454  0 175 GLN   BBB CA  1 ? 36 
ATOM   1473 C C   . GLN   A 1 176 ? 38.148 -14.775 -35.502 1.000 46.715  0 175 GLN   BBB C   1 ? 36 
ATOM   1474 O O   . GLN   A 1 176 ? 37.731 -14.397 -34.401 1.000 45.459  0 175 GLN   BBB O   1 ? 36 
ATOM   1475 C CB  . GLN   A 1 176 ? 38.373 -13.166 -37.489 1.000 49.708  0 175 GLN   BBB CB  1 ? 36 
ATOM   1476 C CG  . GLN   A 1 176 ? 37.272 -12.184 -37.182 1.000 51.844  0 175 GLN   BBB CG  1 ? 36 
ATOM   1477 C CD  . GLN   A 1 176 ? 36.816 -11.509 -38.454 1.000 54.591  0 175 GLN   BBB CD  1 ? 36 
ATOM   1478 O OE1 . GLN   A 1 176 ? 37.526 -11.454 -39.473 1.000 55.818  0 175 GLN   BBB OE1 1 ? 36 
ATOM   1479 N NE2 . GLN   A 1 176 ? 35.605 -10.987 -38.396 1.000 55.071  0 175 GLN   BBB NE2 1 ? 36 
ATOM   1480 N N   . THR   A 1 177 ? 37.913 -15.991 -36.012 1.000 45.181  0 176 THR   BBB N   1 ? 36 
ATOM   1481 C CA  . THR   A 1 177 ? 37.125 -17.029 -35.313 1.000 44.274  0 176 THR   BBB CA  1 ? 36 
ATOM   1482 C C   . THR   A 1 177 ? 37.784 -17.312 -33.961 1.000 44.471  0 176 THR   BBB C   1 ? 36 
ATOM   1483 O O   . THR   A 1 177 ? 37.054 -17.384 -32.955 1.000 44.003  0 176 THR   BBB O   1 ? 36 
ATOM   1484 C CB  . THR   A 1 177 ? 36.971 -18.294 -36.163 1.000 45.744  0 176 THR   BBB CB  1 ? 36 
ATOM   1485 O OG1 . THR   A 1 177 ? 36.346 -17.948 -37.392 1.000 46.483  0 176 THR   BBB OG1 1 ? 36 
ATOM   1486 C CG2 . THR   A 1 177 ? 36.139 -19.366 -35.501 1.000 46.364  0 176 THR   BBB CG2 1 ? 36 
ATOM   1487 N N   . GLN   A 1 178 ? 39.110 -17.438 -33.917 1.000 44.593  0 177 GLN   BBB N   1 ? 36 
ATOM   1488 C CA  . GLN   A 1 178 ? 39.837 -17.723 -32.658 1.000 44.921  0 177 GLN   BBB CA  1 ? 36 
ATOM   1489 C C   . GLN   A 1 178 ? 39.544 -16.629 -31.627 1.000 43.922  0 177 GLN   BBB C   1 ? 36 
ATOM   1490 O O   . GLN   A 1 178 ? 39.349 -16.959 -30.446 1.000 43.189  0 177 GLN   BBB O   1 ? 36 
ATOM   1491 C CB  . GLN   A 1 178 ? 41.329 -17.879 -32.923 1.000 47.409  0 177 GLN   BBB CB  1 ? 36 
ATOM   1492 C CG  . GLN   A 1 178 ? 42.180 -18.083 -31.667 1.000 50.574  0 177 GLN   BBB CG  1 ? 36 
ATOM   1493 C CD  . GLN   A 1 178 ? 43.632 -18.328 -32.027 1.000 52.873  0 177 GLN   BBB CD  1 ? 36 
ATOM   1494 O OE1 . GLN   A 1 178 ? 43.953 -19.001 -33.011 1.000 53.093  0 177 GLN   BBB OE1 1 ? 36 
ATOM   1495 N NE2 . GLN   A 1 178 ? 44.532 -17.746 -31.253 1.000 54.193  0 177 GLN   BBB NE2 1 ? 36 
ATOM   1496 N N   . GLN   A 1 179 ? 39.499 -15.373 -32.054 1.000 44.409  0 178 GLN   BBB N   1 ? 36 
ATOM   1497 C CA  . GLN   A 1 179 ? 39.213 -14.239 -31.141 1.000 45.532  0 178 GLN   BBB CA  1 ? 36 
ATOM   1498 C C   . GLN   A 1 179 ? 37.773 -14.337 -30.629 1.000 44.719  0 178 GLN   BBB C   1 ? 36 
ATOM   1499 O O   . GLN   A 1 179 ? 37.529 -13.909 -29.497 1.000 45.078  0 178 GLN   BBB O   1 ? 36 
ATOM   1500 C CB  . GLN   A 1 179 ? 39.499 -12.913 -31.833 1.000 48.113  0 178 GLN   BBB CB  1 ? 36 
ATOM   1501 C CG  . GLN   A 1 179 ? 40.993 -12.734 -32.103 1.000 53.453  0 178 GLN   BBB CG  1 ? 36 
ATOM   1502 C CD  . GLN   A 1 179 ? 41.781 -12.810 -30.814 1.000 56.792  0 178 GLN   BBB CD  1 ? 36 
ATOM   1503 O OE1 . GLN   A 1 179 ? 41.467 -12.129 -29.841 1.000 60.830  0 178 GLN   BBB OE1 1 ? 36 
ATOM   1504 N NE2 . GLN   A 1 179 ? 42.756 -13.707 -30.768 1.000 60.161  0 178 GLN   BBB NE2 1 ? 36 
ATOM   1505 N N   . LYS   A 1 180 ? 36.853 -14.901 -31.403 1.000 43.585  0 179 LYS   BBB N   1 ? 36 
ATOM   1506 C CA  . LYS   A 1 180 ? 35.443 -15.064 -30.950 1.000 44.420  0 179 LYS   BBB CA  1 ? 36 
ATOM   1507 C C   . LYS   A 1 180 ? 35.374 -16.122 -29.846 1.000 44.525  0 179 LYS   BBB C   1 ? 36 
ATOM   1508 O O   . LYS   A 1 180 ? 34.584 -15.921 -28.896 1.000 44.081  0 179 LYS   BBB O   1 ? 36 
ATOM   1509 C CB  . LYS   A 1 180 ? 34.526 -15.433 -32.112 1.000 45.089  0 179 LYS   BBB CB  1 ? 36 
ATOM   1510 C CG  . LYS   A 1 180 ? 34.407 -14.367 -33.188 1.000 46.510  0 179 LYS   BBB CG  1 ? 36 
ATOM   1511 C CD  . LYS   A 1 180 ? 33.250 -14.645 -34.122 1.000 48.790  0 179 LYS   BBB CD  1 ? 36 
ATOM   1512 C CE  . LYS   A 1 180 ? 33.394 -13.945 -35.451 1.000 49.830  0 179 LYS   BBB CE  1 ? 36 
ATOM   1513 N NZ  . LYS   A 1 180 ? 32.210 -14.200 -36.301 1.000 51.620  0 179 LYS   BBB NZ  1 ? 36 
ATOM   1514 N N   . PHE   A 1 181 ? 36.152 -17.206 -29.960 1.000 43.336  0 180 PHE   BBB N   1 ? 36 
ATOM   1515 C CA  . PHE   A 1 181 ? 36.226 -18.253 -28.912 1.000 44.897  0 180 PHE   BBB CA  1 ? 36 
ATOM   1516 C C   . PHE   A 1 181 ? 36.818 -17.623 -27.643 1.000 46.457  0 180 PHE   BBB C   1 ? 36 
ATOM   1517 O O   . PHE   A 1 181 ? 36.297 -17.860 -26.539 1.000 47.221  0 180 PHE   BBB O   1 ? 36 
ATOM   1518 C CB  . PHE   A 1 181 ? 37.013 -19.478 -29.392 1.000 45.250  0 180 PHE   BBB CB  1 ? 36 
ATOM   1519 C CG  . PHE   A 1 181 ? 36.197 -20.448 -30.204 1.000 45.230  0 180 PHE   BBB CG  1 ? 36 
ATOM   1520 C CD1 . PHE   A 1 181 ? 35.459 -21.439 -29.586 1.000 46.105  0 180 PHE   BBB CD1 1 ? 36 
ATOM   1521 C CD2 . PHE   A 1 181 ? 36.145 -20.356 -31.587 1.000 44.020  0 180 PHE   BBB CD2 1 ? 36 
ATOM   1522 C CE1 . PHE   A 1 181 ? 34.691 -22.319 -30.333 1.000 46.642  0 180 PHE   BBB CE1 1 ? 36 
ATOM   1523 C CE2 . PHE   A 1 181 ? 35.389 -21.248 -32.328 1.000 44.083  0 180 PHE   BBB CE2 1 ? 36 
ATOM   1524 C CZ  . PHE   A 1 181 ? 34.672 -22.235 -31.705 1.000 46.376  0 180 PHE   BBB CZ  1 ? 36 
ATOM   1525 N N   . ARG   A 1 182 ? 37.869 -16.821 -27.800 1.000 46.060  0 181 ARG   BBB N   1 ? 36 
ATOM   1526 C CA  . ARG   A 1 182 ? 38.494 -16.101 -26.665 1.000 49.199  0 181 ARG   BBB CA  1 ? 36 
ATOM   1527 C C   . ARG   A 1 182 ? 37.449 -15.224 -25.974 1.000 49.847  0 181 ARG   BBB C   1 ? 36 
ATOM   1528 O O   . ARG   A 1 182 ? 37.312 -15.311 -24.731 1.000 52.261  0 181 ARG   BBB O   1 ? 36 
ATOM   1529 C CB  . ARG   A 1 182 ? 39.658 -15.246 -27.151 1.000 50.484  0 181 ARG   BBB CB  1 ? 36 
ATOM   1530 C CG  . ARG   A 1 182 ? 40.452 -14.588 -26.036 1.000 54.235  0 181 ARG   BBB CG  1 ? 36 
ATOM   1531 C CD  . ARG   A 1 182 ? 41.301 -13.501 -26.641 1.000 56.415  0 181 ARG   BBB CD  1 ? 36 
ATOM   1532 N NE  . ARG   A 1 182 ? 42.355 -13.120 -25.721 1.000 63.369  0 181 ARG   BBB NE  1 ? 36 
ATOM   1533 C CZ  . ARG   A 1 182 ? 43.295 -12.227 -25.985 1.000 65.641  0 181 ARG   BBB CZ  1 ? 36 
ATOM   1534 N NH1 . ARG   A 1 182 ? 43.308 -11.601 -27.151 1.000 65.406  0 181 ARG   BBB NH1 1 ? 36 
ATOM   1535 N NH2 . ARG   A 1 182 ? 44.219 -11.967 -25.078 1.000 69.732  0 181 ARG   BBB NH2 1 ? 36 
ATOM   1536 N N   . TYR   A 1 183 ? 36.723 -14.410 -26.738 1.000 48.267  0 182 TYR   BBB N   1 ? 36 
ATOM   1537 C CA  . TYR   A 1 183 ? 35.693 -13.477 -26.210 1.000 48.712  0 182 TYR   BBB CA  1 ? 36 
ATOM   1538 C C   . TYR   A 1 183 ? 34.627 -14.273 -25.464 1.000 49.724  0 182 TYR   BBB C   1 ? 36 
ATOM   1539 O O   . TYR   A 1 183 ? 34.282 -13.883 -24.354 1.000 52.110  0 182 TYR   BBB O   1 ? 36 
ATOM   1540 C CB  . TYR   A 1 183 ? 35.093 -12.638 -27.333 1.000 48.228  0 182 TYR   BBB CB  1 ? 36 
ATOM   1541 C CG  . TYR   A 1 183 ? 34.071 -11.622 -26.903 1.000 47.990  0 182 TYR   BBB CG  1 ? 36 
ATOM   1542 C CD1 . TYR   A 1 183 ? 34.388 -10.636 -25.987 1.000 50.060  0 182 TYR   BBB CD1 1 ? 36 
ATOM   1543 C CD2 . TYR   A 1 183 ? 32.798 -11.623 -27.446 1.000 47.357  0 182 TYR   BBB CD2 1 ? 36 
ATOM   1544 C CE1 . TYR   A 1 183 ? 33.459 -9.680  -25.605 1.000 51.605  0 182 TYR   BBB CE1 1 ? 36 
ATOM   1545 C CE2 . TYR   A 1 183 ? 31.857 -10.677 -27.077 1.000 50.016  0 182 TYR   BBB CE2 1 ? 36 
ATOM   1546 C CZ  . TYR   A 1 183 ? 32.188 -9.706  -26.151 1.000 51.240  0 182 TYR   BBB CZ  1 ? 36 
ATOM   1547 O OH  . TYR   A 1 183 ? 31.257 -8.784  -25.785 1.000 56.188  0 182 TYR   BBB OH  1 ? 36 
ATOM   1548 N N   . ALA   A 1 184 ? 34.133 -15.360 -26.052 1.000 49.182  0 183 ALA   BBB N   1 ? 37 
ATOM   1549 C CA  . ALA   A 1 184 ? 33.132 -16.257 -25.428 1.000 48.758  0 183 ALA   BBB CA  1 ? 37 
ATOM   1550 C C   . ALA   A 1 184 ? 33.642 -16.726 -24.060 1.000 50.768  0 183 ALA   BBB C   1 ? 37 
ATOM   1551 O O   . ALA   A 1 184 ? 32.860 -16.672 -23.110 1.000 51.315  0 183 ALA   BBB O   1 ? 37 
ATOM   1552 C CB  . ALA   A 1 184 ? 32.825 -17.421 -26.341 1.000 48.075  0 183 ALA   BBB CB  1 ? 37 
ATOM   1553 N N   . MET   A 1 185 ? 34.894 -17.178 -23.967 1.000 55.077  0 184 MET   BBB N   1 ? 37 
ATOM   1554 C CA  . MET   A 1 185 ? 35.492 -17.662 -22.691 1.000 60.872  0 184 MET   BBB CA  1 ? 37 
ATOM   1555 C C   . MET   A 1 185 ? 35.497 -16.527 -21.661 1.000 59.986  0 184 MET   BBB C   1 ? 37 
ATOM   1556 O O   . MET   A 1 185 ? 35.155 -16.784 -20.514 1.000 62.707  0 184 MET   BBB O   1 ? 37 
ATOM   1557 C CB  . MET   A 1 185 ? 36.932 -18.140 -22.867 1.000 66.798  0 184 MET   BBB CB  1 ? 37 
ATOM   1558 C CG  . MET   A 1 185 ? 37.051 -19.483 -23.504 1.000 75.293  0 184 MET   BBB CG  1 ? 37 
ATOM   1559 S SD  . MET   A 1 185 ? 38.578 -20.260 -22.966 1.000 93.027  0 184 MET   BBB SD  1 ? 37 
ATOM   1560 C CE  . MET   A 1 185 ? 39.701 -18.864 -23.019 1.000 92.375  0 184 MET   BBB CE  1 ? 37 
ATOM   1561 N N   . GLU   A 1 186 ? 35.892 -15.323 -22.067 1.000 59.299  0 185 GLU   BBB N   1 ? 37 
ATOM   1562 C CA  . GLU   A 1 186 ? 35.946 -14.117 -21.200 1.000 59.724  0 185 GLU   BBB CA  1 ? 37 
ATOM   1563 C C   . GLU   A 1 186 ? 34.541 -13.807 -20.674 1.000 58.863  0 185 GLU   BBB C   1 ? 37 
ATOM   1564 O O   . GLU   A 1 186 ? 34.427 -13.526 -19.480 1.000 62.620  0 185 GLU   BBB O   1 ? 37 
ATOM   1565 C CB  . GLU   A 1 186 ? 36.506 -12.918 -21.968 1.000 61.461  0 185 GLU   BBB CB  1 ? 37 
ATOM   1566 C CG  . GLU   A 1 186 ? 38.002 -12.988 -22.221 1.000 65.092  0 185 GLU   BBB CG  1 ? 37 
ATOM   1567 C CD  . GLU   A 1 186 ? 38.566 -11.994 -23.237 1.000 68.056  0 185 GLU   BBB CD  1 ? 37 
ATOM   1568 O OE1 . GLU   A 1 186 ? 37.787 -11.189 -23.826 1.000 65.272  0 185 GLU   BBB OE1 1 ? 37 
ATOM   1569 O OE2 . GLU   A 1 186 ? 39.808 -12.011 -23.438 1.000 72.353  0 185 GLU   BBB OE2 1 ? 37 
ATOM   1570 N N   . GLN   A 1 187 ? 33.513 -13.887 -21.524 1.000 56.796  0 186 GLN   BBB N   1 ? 37 
ATOM   1571 C CA  . GLN   A 1 187 ? 32.131 -13.432 -21.204 1.000 58.146  0 186 GLN   BBB CA  1 ? 37 
ATOM   1572 C C   . GLN   A 1 187 ? 31.350 -14.533 -20.477 1.000 58.472  0 186 GLN   BBB C   1 ? 37 
ATOM   1573 O O   . GLN   A 1 187 ? 30.371 -14.194 -19.784 1.000 57.199  0 186 GLN   BBB O   1 ? 37 
ATOM   1574 C CB  . GLN   A 1 187 ? 31.354 -13.051 -22.470 1.000 57.681  0 186 GLN   BBB CB  1 ? 37 
ATOM   1575 C CG  . GLN   A 1 187 ? 31.895 -11.827 -23.191 1.000 60.407  0 186 GLN   BBB CG  1 ? 37 
ATOM   1576 C CD  . GLN   A 1 187 ? 31.946 -10.629 -22.280 1.000 62.772  0 186 GLN   BBB CD  1 ? 37 
ATOM   1577 O OE1 . GLN   A 1 187 ? 30.902 -10.119 -21.898 1.000 62.511  0 186 GLN   BBB OE1 1 ? 37 
ATOM   1578 N NE2 . GLN   A 1 187 ? 33.150 -10.116 -22.041 1.000 63.050  0 186 GLN   BBB NE2 1 ? 37 
ATOM   1579 N N   . GLU   A 1 188 ? 31.731 -15.801 -20.675 1.000 58.592  0 187 GLU   BBB N   1 ? 37 
ATOM   1580 C CA  . GLU   A 1 188 ? 30.962 -16.990 -20.224 1.000 59.444  0 187 GLU   BBB CA  1 ? 37 
ATOM   1581 C C   . GLU   A 1 188 ? 31.882 -17.957 -19.495 1.000 58.732  0 187 GLU   BBB C   1 ? 37 
ATOM   1582 O O   . GLU   A 1 188 ? 32.338 -18.935 -20.075 1.000 59.062  0 187 GLU   BBB O   1 ? 37 
ATOM   1583 C CB  . GLU   A 1 188 ? 30.350 -17.703 -21.422 1.000 62.272  0 187 GLU   BBB CB  1 ? 37 
ATOM   1584 C CG  . GLU   A 1 188 ? 29.496 -16.789 -22.278 1.000 66.258  0 187 GLU   BBB CG  1 ? 37 
ATOM   1585 C CD  . GLU   A 1 188 ? 28.113 -16.531 -21.716 1.000 68.771  0 187 GLU   BBB CD  1 ? 37 
ATOM   1586 O OE1 . GLU   A 1 188 ? 27.859 -16.951 -20.571 1.000 73.890  0 187 GLU   BBB OE1 1 ? 37 
ATOM   1587 O OE2 . GLU   A 1 188 ? 27.279 -15.953 -22.459 1.000 69.504  0 187 GLU   BBB OE2 1 ? 37 
ATOM   1588 N N   . PRO   A 1 189 ? 32.195 -17.719 -18.205 1.000 58.955  0 188 PRO   BBB N   1 ? 37 
ATOM   1589 C CA  . PRO   A 1 189 ? 32.995 -18.657 -17.421 1.000 59.103  0 188 PRO   BBB CA  1 ? 37 
ATOM   1590 C C   . PRO   A 1 189 ? 32.440 -20.091 -17.434 1.000 57.027  0 188 PRO   BBB C   1 ? 37 
ATOM   1591 O O   . PRO   A 1 189 ? 33.203 -21.003 -17.309 1.000 59.246  0 188 PRO   BBB O   1 ? 37 
ATOM   1592 C CB  . PRO   A 1 189 ? 32.917 -18.094 -15.990 1.000 61.964  0 188 PRO   BBB CB  1 ? 37 
ATOM   1593 C CG  . PRO   A 1 189 ? 32.624 -16.624 -16.185 1.000 62.561  0 188 PRO   BBB CG  1 ? 37 
ATOM   1594 C CD  . PRO   A 1 189 ? 31.759 -16.548 -17.426 1.000 60.404  0 188 PRO   BBB CD  1 ? 37 
ATOM   1595 N N   . HIS   A 1 190 ? 31.131 -20.259 -17.598 1.000 57.362  0 189 HIS   BBB N   1 ? 37 
ATOM   1596 C CA  . HIS   A 1 190 ? 30.455 -21.584 -17.568 1.000 60.749  0 189 HIS   BBB CA  1 ? 37 
ATOM   1597 C C   . HIS   A 1 190 ? 30.988 -22.485 -18.690 1.000 59.601  0 189 HIS   BBB C   1 ? 37 
ATOM   1598 O O   . HIS   A 1 190 ? 30.750 -23.698 -18.613 1.000 61.860  0 189 HIS   BBB O   1 ? 37 
ATOM   1599 C CB  . HIS   A 1 190 ? 28.927 -21.423 -17.615 1.000 65.330  0 189 HIS   BBB CB  1 ? 37 
ATOM   1600 C CG  . HIS   A 1 190 ? 28.344 -20.759 -16.404 1.000 70.051  0 189 HIS   BBB CG  1 ? 37 
ATOM   1601 N ND1 . HIS   A 1 190 ? 29.089 -20.481 -15.261 1.000 72.342  0 189 HIS   BBB ND1 1 ? 37 
ATOM   1602 C CD2 . HIS   A 1 190 ? 27.116 -20.233 -16.184 1.000 73.152  0 189 HIS   BBB CD2 1 ? 37 
ATOM   1603 C CE1 . HIS   A 1 190 ? 28.334 -19.843 -14.387 1.000 74.619  0 189 HIS   BBB CE1 1 ? 37 
ATOM   1604 N NE2 . HIS   A 1 190 ? 27.112 -19.695 -14.923 1.000 76.047  0 189 HIS   BBB NE2 1 ? 37 
ATOM   1605 N N   . LEU   A 1 191 ? 31.667 -21.933 -19.704 1.000 56.702  0 190 LEU   BBB N   1 ? 37 
ATOM   1606 C CA  . LEU   A 1 191 ? 32.319 -22.730 -20.774 1.000 57.479  0 190 LEU   BBB CA  1 ? 37 
ATOM   1607 C C   . LEU   A 1 191 ? 33.400 -23.629 -20.167 1.000 60.209  0 190 LEU   BBB C   1 ? 37 
ATOM   1608 O O   . LEU   A 1 191 ? 33.581 -24.732 -20.669 1.000 63.564  0 190 LEU   BBB O   1 ? 37 
ATOM   1609 C CB  . LEU   A 1 191 ? 32.909 -21.811 -21.855 1.000 54.794  0 190 LEU   BBB CB  1 ? 37 
ATOM   1610 C CG  . LEU   A 1 191 ? 31.922 -21.383 -22.940 1.000 54.263  0 190 LEU   BBB CG  1 ? 37 
ATOM   1611 C CD1 . LEU   A 1 191 ? 32.495 -20.256 -23.777 1.000 53.617  0 190 LEU   BBB CD1 1 ? 37 
ATOM   1612 C CD2 . LEU   A 1 191 ? 31.522 -22.555 -23.820 1.000 54.437  0 190 LEU   BBB CD2 1 ? 37 
ATOM   1613 N N   A MET   A 1 192 ? 34.078 -23.165 -19.115 0.500 61.911  0 191 MET   BBB N   1 ? 37 
ATOM   1614 N N   B MET   A 1 192 ? 34.083 -23.162 -19.117 0.500 61.609  0 191 MET   BBB N   1 ? 37 
ATOM   1615 C CA  A MET   A 1 192 ? 35.213 -23.880 -18.476 0.500 65.272  0 191 MET   BBB CA  1 ? 37 
ATOM   1616 C CA  B MET   A 1 192 ? 35.214 -23.874 -18.464 0.500 64.759  0 191 MET   BBB CA  1 ? 37 
ATOM   1617 C C   A MET   A 1 192 ? 34.715 -25.045 -17.609 0.500 64.830  0 191 MET   BBB C   1 ? 37 
ATOM   1618 C C   B MET   A 1 192 ? 34.712 -25.050 -17.616 0.500 64.539  0 191 MET   BBB C   1 ? 37 
ATOM   1619 O O   A MET   A 1 192 ? 35.538 -25.907 -17.292 0.500 66.903  0 191 MET   BBB O   1 ? 37 
ATOM   1620 O O   B MET   A 1 192 ? 35.537 -25.908 -17.295 0.500 66.625  0 191 MET   BBB O   1 ? 37 
ATOM   1621 C CB  A MET   A 1 192 ? 36.041 -22.924 -17.617 0.500 68.627  0 191 MET   BBB CB  1 ? 37 
ATOM   1622 C CB  B MET   A 1 192 ? 36.002 -22.948 -17.536 0.500 67.682  0 191 MET   BBB CB  1 ? 37 
ATOM   1623 C CG  A MET   A 1 192 ? 36.632 -21.777 -18.414 0.500 70.522  0 191 MET   BBB CG  1 ? 37 
ATOM   1624 C CG  B MET   A 1 192 ? 36.811 -21.888 -18.232 0.500 69.668  0 191 MET   BBB CG  1 ? 37 
ATOM   1625 S SD  A MET   A 1 192 ? 37.067 -22.267 -20.101 0.500 73.790  0 191 MET   BBB SD  1 ? 37 
ATOM   1626 S SD  B MET   A 1 192 ? 38.291 -21.533 -17.258 0.500 74.761  0 191 MET   BBB SD  1 ? 37 
ATOM   1627 C CE  A MET   A 1 192 ? 38.464 -23.345 -19.791 0.500 77.773  0 191 MET   BBB CE  1 ? 37 
ATOM   1628 C CE  B MET   A 1 192 ? 39.485 -22.476 -18.199 0.500 78.591  0 191 MET   BBB CE  1 ? 37 
ATOM   1629 N N   . LYS   A 1 193 ? 33.432 -25.071 -17.229 1.000 69.234  0 192 LYS   BBB N   1 ? 38 
ATOM   1630 C CA  . LYS   A 1 193 ? 32.885 -26.128 -16.338 1.000 67.855  0 192 LYS   BBB CA  1 ? 38 
ATOM   1631 C C   . LYS   A 1 193 ? 33.088 -27.506 -16.982 1.000 65.953  0 192 LYS   BBB C   1 ? 38 
ATOM   1632 O O   . LYS   A 1 193 ? 32.759 -27.665 -18.159 1.000 67.049  0 192 LYS   BBB O   1 ? 38 
ATOM   1633 C CB  . LYS   A 1 193 ? 31.413 -25.866 -16.017 1.000 69.892  0 192 LYS   BBB CB  1 ? 38 
ATOM   1634 C CG  . LYS   A 1 193 ? 31.170 -24.894 -14.874 1.000 71.751  0 192 LYS   BBB CG  1 ? 38 
ATOM   1635 C CD  . LYS   A 1 193 ? 29.796 -24.266 -14.944 1.000 76.476  0 192 LYS   BBB CD  1 ? 38 
ATOM   1636 C CE  . LYS   A 1 193 ? 29.181 -23.970 -13.595 1.000 78.469  0 192 LYS   BBB CE  1 ? 38 
ATOM   1637 N NZ  . LYS   A 1 193 ? 27.745 -23.624 -13.732 1.000 83.318  0 192 LYS   BBB NZ  1 ? 38 
ATOM   1638 N N   . GLY   A 1 194 ? 33.638 -28.449 -16.218 1.000 64.658  0 193 GLY   BBB N   1 ? 38 
ATOM   1639 C CA  . GLY   A 1 194 ? 33.857 -29.848 -16.629 1.000 63.863  0 193 GLY   BBB CA  1 ? 38 
ATOM   1640 C C   . GLY   A 1 194 ? 34.930 -30.000 -17.687 1.000 62.118  0 193 GLY   BBB C   1 ? 38 
ATOM   1641 O O   . GLY   A 1 194 ? 34.840 -30.967 -18.447 1.000 63.350  0 193 GLY   BBB O   1 ? 38 
ATOM   1642 N N   . THR   A 1 195 ? 35.919 -29.105 -17.720 1.000 61.666  0 194 THR   BBB N   1 ? 38 
ATOM   1643 C CA  . THR   A 1 195 ? 37.055 -29.137 -18.679 1.000 61.773  0 194 THR   BBB CA  1 ? 38 
ATOM   1644 C C   . THR   A 1 195 ? 38.389 -29.385 -17.962 1.000 63.210  0 194 THR   BBB C   1 ? 38 
ATOM   1645 O O   . THR   A 1 195 ? 39.409 -29.458 -18.670 1.000 65.362  0 194 THR   BBB O   1 ? 38 
ATOM   1646 C CB  . THR   A 1 195 ? 37.124 -27.827 -19.472 1.000 64.409  0 194 THR   BBB CB  1 ? 38 
ATOM   1647 O OG1 . THR   A 1 195 ? 37.569 -26.788 -18.599 1.000 62.918  0 194 THR   BBB OG1 1 ? 38 
ATOM   1648 C CG2 . THR   A 1 195 ? 35.797 -27.457 -20.103 1.000 64.661  0 194 THR   BBB CG2 1 ? 38 
ATOM   1649 N N   . TRP   A 1 196 ? 38.390 -29.486 -16.625 1.000 61.289  0 195 TRP   BBB N   1 ? 38 
ATOM   1650 C CA  . TRP   A 1 196 ? 39.607 -29.686 -15.790 1.000 62.618  0 195 TRP   BBB CA  1 ? 38 
ATOM   1651 C C   . TRP   A 1 196 ? 40.563 -28.500 -15.947 1.000 68.484  0 195 TRP   BBB C   1 ? 38 
ATOM   1652 O O   . TRP   A 1 196 ? 41.753 -28.643 -15.631 1.000 69.277  0 195 TRP   BBB O   1 ? 38 
ATOM   1653 C CB  . TRP   A 1 196 ? 40.282 -31.024 -16.132 1.000 59.331  0 195 TRP   BBB CB  1 ? 38 
ATOM   1654 C CG  . TRP   A 1 196 ? 39.618 -32.194 -15.476 1.000 55.070  0 195 TRP   BBB CG  1 ? 38 
ATOM   1655 C CD1 . TRP   A 1 196 ? 40.054 -32.852 -14.369 1.000 55.271  0 195 TRP   BBB CD1 1 ? 38 
ATOM   1656 C CD2 . TRP   A 1 196 ? 38.369 -32.809 -15.837 1.000 51.651  0 195 TRP   BBB CD2 1 ? 38 
ATOM   1657 N NE1 . TRP   A 1 196 ? 39.188 -33.857 -14.044 1.000 53.844  0 195 TRP   BBB NE1 1 ? 38 
ATOM   1658 C CE2 . TRP   A 1 196 ? 38.147 -33.858 -14.926 1.000 51.714  0 195 TRP   BBB CE2 1 ? 38 
ATOM   1659 C CE3 . TRP   A 1 196 ? 37.435 -32.604 -16.854 1.000 51.291  0 195 TRP   BBB CE3 1 ? 38 
ATOM   1660 C CZ2 . TRP   A 1 196 ? 37.036 -34.690 -14.999 1.000 51.273  0 195 TRP   BBB CZ2 1 ? 38 
ATOM   1661 C CZ3 . TRP   A 1 196 ? 36.328 -33.416 -16.921 1.000 51.079  0 195 TRP   BBB CZ3 1 ? 38 
ATOM   1662 C CH2 . TRP   A 1 196 ? 36.129 -34.440 -16.000 1.000 51.388  0 195 TRP   BBB CH2 1 ? 38 
ATOM   1663 N N   . MET   A 1 197 ? 40.041 -27.352 -16.374 1.000 76.386  0 196 MET   BBB N   1 ? 38 
ATOM   1664 C CA  . MET   A 1 197 ? 40.826 -26.121 -16.638 1.000 84.244  0 196 MET   BBB CA  1 ? 38 
ATOM   1665 C C   . MET   A 1 197 ? 40.525 -25.109 -15.525 1.000 87.539  0 196 MET   BBB C   1 ? 38 
ATOM   1666 O O   . MET   A 1 197 ? 39.478 -24.453 -15.594 1.000 89.171  0 196 MET   BBB O   1 ? 38 
ATOM   1667 C CB  . MET   A 1 197 ? 40.460 -25.557 -18.016 1.000 86.303  0 196 MET   BBB CB  1 ? 38 
ATOM   1668 C CG  . MET   A 1 197 ? 41.603 -24.823 -18.698 1.000 92.924  0 196 MET   BBB CG  1 ? 38 
ATOM   1669 S SD  . MET   A 1 197 ? 42.892 -25.925 -19.315 1.000 93.730  0 196 MET   BBB SD  1 ? 38 
ATOM   1670 C CE  . MET   A 1 197 ? 42.185 -26.399 -20.890 1.000 92.921  0 196 MET   BBB CE  1 ? 38 
ATOM   1671 N N   . THR   A 1 198 ? 41.396 -25.023 -14.513 1.000 93.382  0 197 THR   BBB N   1 ? 38 
ATOM   1672 C CA  . THR   A 1 198 ? 41.295 -24.039 -13.403 1.000 98.255  0 197 THR   BBB CA  1 ? 38 
ATOM   1673 C C   . THR   A 1 198 ? 41.792 -22.682 -13.916 1.000 103.424 0 197 THR   BBB C   1 ? 38 
ATOM   1674 O O   . THR   A 1 198 ? 42.608 -22.682 -14.853 1.000 104.214 0 197 THR   BBB O   1 ? 38 
ATOM   1675 C CB  . THR   A 1 198 ? 42.032 -24.526 -12.150 1.000 101.681 0 197 THR   BBB CB  1 ? 38 
ATOM   1676 O OG1 . THR   A 1 198 ? 41.749 -23.591 -11.107 1.000 108.997 0 197 THR   BBB OG1 1 ? 38 
ATOM   1677 C CG2 . THR   A 1 198 ? 43.527 -24.662 -12.331 1.000 104.672 0 197 THR   BBB CG2 1 ? 38 
ATOM   1678 N N   . SER   A 1 199 ? 41.287 -21.582 -13.342 1.000 91.508  0 198 SER   BBB N   1 ? 39 
ATOM   1679 C CA  . SER   A 1 199 ? 41.642 -20.170 -13.668 1.000 89.223  0 198 SER   BBB CA  1 ? 39 
ATOM   1680 C C   . SER   A 1 199 ? 43.163 -19.978 -13.662 1.000 86.702  0 198 SER   BBB C   1 ? 39 
ATOM   1681 O O   . SER   A 1 199 ? 43.661 -19.240 -14.531 1.000 85.374  0 198 SER   BBB O   1 ? 39 
ATOM   1682 C CB  . SER   A 1 199 ? 40.981 -19.210 -12.713 1.000 90.983  0 198 SER   BBB CB  1 ? 39 
ATOM   1683 O OG  . SER   A 1 199 ? 39.606 -19.067 -13.025 1.000 92.824  0 198 SER   BBB OG  1 ? 39 
ATOM   1684 N N   . GLU   A 1 200 ? 43.851 -20.607 -12.708 1.000 87.091  0 199 GLU   BBB N   1 ? 39 
ATOM   1685 C CA  . GLU   A 1 200 ? 45.335 -20.627 -12.590 1.000 89.617  0 199 GLU   BBB CA  1 ? 39 
ATOM   1686 C C   . GLU   A 1 200 ? 45.956 -21.153 -13.895 1.000 87.986  0 199 GLU   BBB C   1 ? 39 
ATOM   1687 O O   . GLU   A 1 200 ? 46.841 -20.469 -14.443 1.000 86.262  0 199 GLU   BBB O   1 ? 39 
ATOM   1688 C CB  . GLU   A 1 200 ? 45.725 -21.489 -11.388 1.000 95.173  0 199 GLU   BBB CB  1 ? 39 
ATOM   1689 C CG  . GLU   A 1 200 ? 47.165 -21.326 -10.935 1.000 99.655  0 199 GLU   BBB CG  1 ? 39 
ATOM   1690 C CD  . GLU   A 1 200 ? 47.554 -22.243 -9.780  1.000 105.905 0 199 GLU   BBB CD  1 ? 39 
ATOM   1691 O OE1 . GLU   A 1 200 ? 46.642 -22.695 -9.043  1.000 109.904 0 199 GLU   BBB OE1 1 ? 39 
ATOM   1692 O OE2 . GLU   A 1 200 ? 48.767 -22.512 -9.612  1.000 107.675 0 199 GLU   BBB OE2 1 ? 39 
ATOM   1693 N N   . VAL   A 1 201 ? 45.491 -22.310 -14.391 1.000 85.369  0 200 VAL   BBB N   1 ? 39 
ATOM   1694 C CA  . VAL   A 1 201 ? 46.069 -23.016 -15.577 1.000 81.423  0 200 VAL   BBB CA  1 ? 39 
ATOM   1695 C C   . VAL   A 1 201 ? 45.687 -22.259 -16.853 1.000 77.539  0 200 VAL   BBB C   1 ? 39 
ATOM   1696 O O   . VAL   A 1 201 ? 46.553 -22.145 -17.749 1.000 73.727  0 200 VAL   BBB O   1 ? 39 
ATOM   1697 C CB  . VAL   A 1 201 ? 45.623 -24.491 -15.639 1.000 82.402  0 200 VAL   BBB CB  1 ? 39 
ATOM   1698 C CG1 . VAL   A 1 201 ? 46.064 -25.166 -16.932 1.000 83.006  0 200 VAL   BBB CG1 1 ? 39 
ATOM   1699 C CG2 . VAL   A 1 201 ? 46.117 -25.277 -14.436 1.000 83.361  0 200 VAL   BBB CG2 1 ? 39 
ATOM   1700 N N   . LEU   A 1 202 ? 44.445 -21.768 -16.943 1.000 76.240  0 201 LEU   BBB N   1 ? 39 
ATOM   1701 C CA  . LEU   A 1 202 ? 43.967 -20.942 -18.085 1.000 75.783  0 201 LEU   BBB CA  1 ? 39 
ATOM   1702 C C   . LEU   A 1 202 ? 44.881 -19.720 -18.225 1.000 75.039  0 201 LEU   BBB C   1 ? 39 
ATOM   1703 O O   . LEU   A 1 202 ? 45.348 -19.452 -19.346 1.000 75.276  0 201 LEU   BBB O   1 ? 39 
ATOM   1704 C CB  . LEU   A 1 202 ? 42.512 -20.513 -17.862 1.000 78.467  0 201 LEU   BBB CB  1 ? 39 
ATOM   1705 C CG  . LEU   A 1 202 ? 41.910 -19.693 -19.008 1.000 80.850  0 201 LEU   BBB CG  1 ? 39 
ATOM   1706 C CD1 . LEU   A 1 202 ? 41.863 -20.512 -20.294 1.000 82.316  0 201 LEU   BBB CD1 1 ? 39 
ATOM   1707 C CD2 . LEU   A 1 202 ? 40.534 -19.136 -18.656 1.000 81.144  0 201 LEU   BBB CD2 1 ? 39 
ATOM   1708 N N   . SER   A 1 203 ? 45.125 -19.019 -17.115 1.000 74.441  0 202 SER   BBB N   1 ? 39 
ATOM   1709 C CA  . SER   A 1 203 ? 46.003 -17.823 -17.034 1.000 74.871  0 202 SER   BBB CA  1 ? 39 
ATOM   1710 C C   . SER   A 1 203 ? 47.396 -18.158 -17.588 1.000 72.087  0 202 SER   BBB C   1 ? 39 
ATOM   1711 O O   . SER   A 1 203 ? 47.891 -17.385 -18.429 1.000 72.360  0 202 SER   BBB O   1 ? 39 
ATOM   1712 C CB  . SER   A 1 203 ? 46.065 -17.302 -15.624 1.000 76.944  0 202 SER   BBB CB  1 ? 39 
ATOM   1713 O OG  . SER   A 1 203 ? 46.890 -16.153 -15.561 1.000 83.154  0 202 SER   BBB OG  1 ? 39 
ATOM   1714 N N   . TRP   A 1 204 ? 47.996 -19.271 -17.154 1.000 69.278  0 203 TRP   BBB N   1 ? 39 
ATOM   1715 C CA  . TRP   A 1 204 ? 49.308 -19.767 -17.657 1.000 68.788  0 203 TRP   BBB CA  1 ? 39 
ATOM   1716 C C   . TRP   A 1 204 ? 49.242 -20.008 -19.171 1.000 67.457  0 203 TRP   BBB C   1 ? 39 
ATOM   1717 O O   . TRP   A 1 204 ? 50.182 -19.591 -19.881 1.000 68.665  0 203 TRP   BBB O   1 ? 39 
ATOM   1718 C CB  . TRP   A 1 204 ? 49.746 -21.042 -16.928 1.000 71.498  0 203 TRP   BBB CB  1 ? 39 
ATOM   1719 C CG  . TRP   A 1 204 ? 51.131 -21.464 -17.308 1.000 72.937  0 203 TRP   BBB CG  1 ? 39 
ATOM   1720 C CD1 . TRP   A 1 204 ? 52.286 -21.178 -16.639 1.000 74.314  0 203 TRP   BBB CD1 1 ? 39 
ATOM   1721 C CD2 . TRP   A 1 204 ? 51.515 -22.207 -18.479 1.000 73.760  0 203 TRP   BBB CD2 1 ? 39 
ATOM   1722 N NE1 . TRP   A 1 204 ? 53.359 -21.700 -17.308 1.000 77.607  0 203 TRP   BBB NE1 1 ? 39 
ATOM   1723 C CE2 . TRP   A 1 204 ? 52.920 -22.336 -18.441 1.000 76.537  0 203 TRP   BBB CE2 1 ? 39 
ATOM   1724 C CE3 . TRP   A 1 204 ? 50.818 -22.773 -19.554 1.000 72.940  0 203 TRP   BBB CE3 1 ? 39 
ATOM   1725 C CZ2 . TRP   A 1 204 ? 53.631 -23.017 -19.428 1.000 77.718  0 203 TRP   BBB CZ2 1 ? 39 
ATOM   1726 C CZ3 . TRP   A 1 204 ? 51.523 -23.435 -20.534 1.000 73.327  0 203 TRP   BBB CZ3 1 ? 39 
ATOM   1727 C CH2 . TRP   A 1 204 ? 52.910 -23.550 -20.473 1.000 75.444  0 203 TRP   BBB CH2 1 ? 39 
ATOM   1728 N N   . LEU   A 1 205 ? 48.192 -20.687 -19.642 1.000 65.335  0 204 LEU   BBB N   1 ? 39 
ATOM   1729 C CA  . LEU   A 1 205 ? 48.002 -21.010 -21.083 1.000 65.703  0 204 LEU   BBB CA  1 ? 39 
ATOM   1730 C C   . LEU   A 1 205 ? 47.876 -19.701 -21.879 1.000 64.946  0 204 LEU   BBB C   1 ? 39 
ATOM   1731 O O   . LEU   A 1 205 ? 48.482 -19.601 -22.967 1.000 62.183  0 204 LEU   BBB O   1 ? 39 
ATOM   1732 C CB  . LEU   A 1 205 ? 46.763 -21.897 -21.257 1.000 65.874  0 204 LEU   BBB CB  1 ? 39 
ATOM   1733 C CG  . LEU   A 1 205 ? 46.367 -22.180 -22.709 1.000 66.045  0 204 LEU   BBB CG  1 ? 39 
ATOM   1734 C CD1 . LEU   A 1 205 ? 47.496 -22.853 -23.468 1.000 65.180  0 204 LEU   BBB CD1 1 ? 39 
ATOM   1735 C CD2 . LEU   A 1 205 ? 45.100 -23.013 -22.799 1.000 68.068  0 204 LEU   BBB CD2 1 ? 39 
ATOM   1736 N N   . GLN   A 1 206 ? 47.125 -18.736 -21.347 1.000 66.367  0 205 GLN   BBB N   1 ? 39 
ATOM   1737 C CA  . GLN   A 1 206 ? 46.901 -17.408 -21.980 1.000 69.735  0 205 GLN   BBB CA  1 ? 39 
ATOM   1738 C C   . GLN   A 1 206 ? 48.252 -16.720 -22.216 1.000 68.362  0 205 GLN   BBB C   1 ? 39 
ATOM   1739 O O   . GLN   A 1 206 ? 48.443 -16.161 -23.304 1.000 69.413  0 205 GLN   BBB O   1 ? 39 
ATOM   1740 C CB  . GLN   A 1 206 ? 45.974 -16.545 -21.118 1.000 73.781  0 205 GLN   BBB CB  1 ? 39 
ATOM   1741 C CG  . GLN   A 1 206 ? 44.948 -15.773 -21.927 1.000 77.330  0 205 GLN   BBB CG  1 ? 39 
ATOM   1742 C CD  . GLN   A 1 206 ? 43.790 -16.655 -22.305 1.000 75.858  0 205 GLN   BBB CD  1 ? 39 
ATOM   1743 O OE1 . GLN   A 1 206 ? 43.094 -17.184 -21.453 1.000 81.263  0 205 GLN   BBB OE1 1 ? 39 
ATOM   1744 N NE2 . GLN   A 1 206 ? 43.607 -16.853 -23.591 1.000 76.542  0 205 GLN   BBB NE2 1 ? 39 
ATOM   1745 N N   . GLN   A 1 207 ? 49.167 -16.776 -21.244 1.000 69.228  0 206 GLN   BBB N   1 ? 39 
ATOM   1746 C CA  . GLN   A 1 207 ? 50.532 -16.187 -21.363 1.000 70.425  0 206 GLN   BBB CA  1 ? 39 
ATOM   1747 C C   . GLN   A 1 207 ? 51.292 -16.885 -22.494 1.000 69.874  0 206 GLN   BBB C   1 ? 39 
ATOM   1748 O O   . GLN   A 1 207 ? 51.848 -16.169 -23.350 1.000 68.468  0 206 GLN   BBB O   1 ? 39 
ATOM   1749 C CB  . GLN   A 1 207 ? 51.294 -16.277 -20.038 1.000 73.604  0 206 GLN   BBB CB  1 ? 39 
ATOM   1750 C CG  . GLN   A 1 207 ? 50.663 -15.405 -18.960 1.000 75.016  0 206 GLN   BBB CG  1 ? 39 
ATOM   1751 C CD  . GLN   A 1 207 ? 51.369 -15.453 -17.627 1.000 78.748  0 206 GLN   BBB CD  1 ? 39 
ATOM   1752 O OE1 . GLN   A 1 207 ? 50.738 -15.577 -16.582 1.000 81.565  0 206 GLN   BBB OE1 1 ? 39 
ATOM   1753 N NE2 . GLN   A 1 207 ? 52.689 -15.349 -17.654 1.000 80.786  0 206 GLN   BBB NE2 1 ? 39 
ATOM   1754 N N   . ALA   A 1 208 ? 51.302 -18.225 -22.494 1.000 67.830  0 207 ALA   BBB N   1 ? 39 
ATOM   1755 C CA  . ALA   A 1 208 ? 51.996 -19.063 -23.503 1.000 67.128  0 207 ALA   BBB CA  1 ? 39 
ATOM   1756 C C   . ALA   A 1 208 ? 51.481 -18.719 -24.904 1.000 66.439  0 207 ALA   BBB C   1 ? 39 
ATOM   1757 O O   . ALA   A 1 208 ? 52.310 -18.576 -25.827 1.000 68.405  0 207 ALA   BBB O   1 ? 39 
ATOM   1758 C CB  . ALA   A 1 208 ? 51.802 -20.523 -23.191 1.000 66.838  0 207 ALA   BBB CB  1 ? 39 
ATOM   1759 N N   . ILE   A 1 209 ? 50.163 -18.571 -25.053 1.000 65.124  0 208 ILE   BBB N   1 ? 39 
ATOM   1760 C CA  . ILE   A 1 209 ? 49.510 -18.225 -26.349 1.000 64.968  0 208 ILE   BBB CA  1 ? 39 
ATOM   1761 C C   . ILE   A 1 209 ? 49.923 -16.802 -26.734 1.000 65.058  0 208 ILE   BBB C   1 ? 39 
ATOM   1762 O O   . ILE   A 1 209 ? 50.222 -16.587 -27.915 1.000 64.690  0 208 ILE   BBB O   1 ? 39 
ATOM   1763 C CB  . ILE   A 1 209 ? 47.978 -18.394 -26.282 1.000 64.600  0 208 ILE   BBB CB  1 ? 39 
ATOM   1764 C CG1 . ILE   A 1 209 ? 47.580 -19.857 -26.069 1.000 64.608  0 208 ILE   BBB CG1 1 ? 39 
ATOM   1765 C CG2 . ILE   A 1 209 ? 47.323 -17.815 -27.529 1.000 65.575  0 208 ILE   BBB CG2 1 ? 39 
ATOM   1766 C CD1 . ILE   A 1 209 ? 46.167 -20.034 -25.578 1.000 63.610  0 208 ILE   BBB CD1 1 ? 39 
ATOM   1767 N N   . GLY   A 1 210 ? 49.929 -15.868 -25.783 1.000 67.363  0 209 GLY   BBB N   1 ? 39 
ATOM   1768 C CA  . GLY   A 1 210 ? 50.386 -14.477 -25.995 1.000 71.073  0 209 GLY   BBB CA  1 ? 39 
ATOM   1769 C C   . GLY   A 1 210 ? 51.756 -14.429 -26.656 1.000 73.963  0 209 GLY   BBB C   1 ? 39 
ATOM   1770 O O   . GLY   A 1 210 ? 51.892 -13.764 -27.694 1.000 77.884  0 209 GLY   BBB O   1 ? 39 
ATOM   1771 N N   . VAL   A 1 211 ? 52.716 -15.180 -26.107 1.000 74.943  0 210 VAL   BBB N   1 ? 39 
ATOM   1772 C CA  . VAL   A 1 211 ? 54.117 -15.266 -26.615 1.000 77.664  0 210 VAL   BBB CA  1 ? 39 
ATOM   1773 C C   . VAL   A 1 211 ? 54.083 -15.821 -28.041 1.000 80.583  0 210 VAL   BBB C   1 ? 39 
ATOM   1774 O O   . VAL   A 1 211 ? 54.721 -15.219 -28.924 1.000 85.686  0 210 VAL   BBB O   1 ? 39 
ATOM   1775 C CB  . VAL   A 1 211 ? 55.004 -16.131 -25.697 1.000 76.985  0 210 VAL   BBB CB  1 ? 39 
ATOM   1776 C CG1 . VAL   A 1 211 ? 56.359 -16.419 -26.335 1.000 78.137  0 210 VAL   BBB CG1 1 ? 39 
ATOM   1777 C CG2 . VAL   A 1 211 ? 55.164 -15.498 -24.321 1.000 76.412  0 210 VAL   BBB CG2 1 ? 39 
ATOM   1778 N N   . MET   A 1 212 ? 53.363 -16.927 -28.244 1.000 80.285  0 211 MET   BBB N   1 ? 39 
ATOM   1779 C CA  . MET   A 1 212 ? 53.275 -17.649 -29.540 1.000 79.204  0 211 MET   BBB CA  1 ? 39 
ATOM   1780 C C   . MET   A 1 212 ? 52.788 -16.691 -30.638 1.000 80.621  0 211 MET   BBB C   1 ? 39 
ATOM   1781 O O   . MET   A 1 212 ? 53.385 -16.713 -31.720 1.000 83.609  0 211 MET   BBB O   1 ? 39 
ATOM   1782 C CB  . MET   A 1 212 ? 52.320 -18.841 -29.427 1.000 77.106  0 211 MET   BBB CB  1 ? 39 
ATOM   1783 C CG  . MET   A 1 212 ? 52.281 -19.707 -30.674 1.000 77.845  0 211 MET   BBB CG  1 ? 39 
ATOM   1784 S SD  . MET   A 1 212 ? 51.139 -21.100 -30.522 1.000 76.959  0 211 MET   BBB SD  1 ? 39 
ATOM   1785 C CE  . MET   A 1 212 ? 49.601 -20.235 -30.211 1.000 74.696  0 211 MET   BBB CE  1 ? 39 
ATOM   1786 N N   . MET   A 1 213 ? 51.758 -15.882 -30.364 1.000 83.027  0 212 MET   BBB N   1 ? 39 
ATOM   1787 C CA  . MET   A 1 213 ? 51.101 -14.982 -31.359 1.000 89.444  0 212 MET   BBB CA  1 ? 39 
ATOM   1788 C C   . MET   A 1 213 ? 52.087 -13.885 -31.801 1.000 94.772  0 212 MET   BBB C   1 ? 39 
ATOM   1789 O O   . MET   A 1 213 ? 52.112 -13.563 -33.007 1.000 92.534  0 212 MET   BBB O   1 ? 39 
ATOM   1790 C CB  . MET   A 1 213 ? 49.853 -14.297 -30.784 1.000 89.554  0 212 MET   BBB CB  1 ? 39 
ATOM   1791 C CG  . MET   A 1 213 ? 48.769 -15.218 -30.283 1.000 88.889  0 212 MET   BBB CG  1 ? 39 
ATOM   1792 S SD  . MET   A 1 213 ? 47.662 -15.746 -31.568 1.000 88.390  0 212 MET   BBB SD  1 ? 39 
ATOM   1793 C CE  . MET   A 1 213 ? 48.677 -16.971 -32.396 1.000 91.911  0 212 MET   BBB CE  1 ? 39 
ATOM   1794 N N   . ARG   A 1 214 ? 52.867 -13.347 -30.854 1.000 102.239 0 213 ARG   BBB N   1 ? 39 
ATOM   1795 C CA  . ARG   A 1 214 ? 53.775 -12.178 -31.047 1.000 107.937 0 213 ARG   BBB CA  1 ? 39 
ATOM   1796 C C   . ARG   A 1 214 ? 55.073 -12.630 -31.734 1.000 110.383 0 213 ARG   BBB C   1 ? 39 
ATOM   1797 O O   . ARG   A 1 214 ? 55.652 -11.807 -32.463 1.000 116.576 0 213 ARG   BBB O   1 ? 39 
ATOM   1798 C CB  . ARG   A 1 214 ? 54.036 -11.481 -29.702 1.000 110.025 0 213 ARG   BBB CB  1 ? 39 
ATOM   1799 C CG  . ARG   A 1 214 ? 53.002 -10.428 -29.311 1.000 114.474 0 213 ARG   BBB CG  1 ? 39 
ATOM   1800 C CD  . ARG   A 1 214 ? 52.392 -10.636 -27.933 1.000 117.694 0 213 ARG   BBB CD  1 ? 39 
ATOM   1801 N NE  . ARG   A 1 214 ? 53.388 -10.603 -26.871 1.000 121.277 0 213 ARG   BBB NE  1 ? 39 
ATOM   1802 C CZ  . ARG   A 1 214 ? 53.124 -10.684 -25.563 1.000 119.722 0 213 ARG   BBB CZ  1 ? 39 
ATOM   1803 N NH1 . ARG   A 1 214 ? 51.883 -10.839 -25.127 1.000 116.048 0 213 ARG   BBB NH1 1 ? 39 
ATOM   1804 N NH2 . ARG   A 1 214 ? 54.113 -10.627 -24.688 1.000 121.746 0 213 ARG   BBB NH2 1 ? 39 
ATOM   1805 N N   . GLN   A 1 215 ? 55.499 -13.881 -31.528 1.000 119.852 0 214 GLN   BBB N   1 ? 40 
ATOM   1806 C CA  . GLN   A 1 215 ? 56.676 -14.490 -32.211 1.000 121.864 0 214 GLN   BBB CA  1 ? 40 
ATOM   1807 C C   . GLN   A 1 215 ? 56.248 -15.101 -33.555 1.000 123.455 0 214 GLN   BBB C   1 ? 40 
ATOM   1808 O O   . GLN   A 1 215 ? 55.759 -16.240 -33.556 1.000 125.771 0 214 GLN   BBB O   1 ? 40 
ATOM   1809 C CB  . GLN   A 1 215 ? 57.331 -15.542 -31.314 1.000 123.742 0 214 GLN   BBB CB  1 ? 40 
ATOM   1810 C CG  . GLN   A 1 215 ? 58.014 -14.940 -30.093 1.000 126.920 0 214 GLN   BBB CG  1 ? 40 
ATOM   1811 C CD  . GLN   A 1 215 ? 58.924 -15.915 -29.386 1.000 129.806 0 214 GLN   BBB CD  1 ? 40 
ATOM   1812 O OE1 . GLN   A 1 215 ? 59.209 -17.005 -29.878 1.000 128.521 0 214 GLN   BBB OE1 1 ? 40 
ATOM   1813 N NE2 . GLN   A 1 215 ? 59.410 -15.517 -28.222 1.000 134.516 0 214 GLN   BBB NE2 1 ? 40 
ATOM   1814 N N   . ALA   A 1 216 ? 56.514 -14.380 -34.651 1.000 125.618 0 215 ALA   BBB N   1 ? 40 
ATOM   1815 C CA  . ALA   A 1 216 ? 56.091 -14.670 -36.045 1.000 126.740 0 215 ALA   BBB CA  1 ? 40 
ATOM   1816 C C   . ALA   A 1 216 ? 54.840 -13.846 -36.371 1.000 127.276 0 215 ALA   BBB C   1 ? 40 
ATOM   1817 O O   . ALA   A 1 216 ? 54.106 -14.240 -37.304 1.000 129.604 0 215 ALA   BBB O   1 ? 40 
ATOM   1818 C CB  . ALA   A 1 216 ? 55.863 -16.149 -36.270 1.000 128.278 0 215 ALA   BBB CB  1 ? 40 
ATOM   1819 N N   . GLN   A 1 217 ? 54.622 -12.742 -35.640 1.000 124.655 0 216 GLN   BBB N   1 ? 40 
ATOM   1820 C CA  . GLN   A 1 217 ? 53.571 -11.720 -35.906 1.000 124.029 0 216 GLN   BBB CA  1 ? 40 
ATOM   1821 C C   . GLN   A 1 217 ? 54.081 -10.758 -36.987 1.000 124.929 0 216 GLN   BBB C   1 ? 40 
ATOM   1822 O O   . GLN   A 1 217 ? 55.010 -9.981  -36.762 1.000 124.136 0 216 GLN   BBB O   1 ? 40 
ATOM   1823 C CB  . GLN   A 1 217 ? 53.215 -10.963 -34.621 1.000 123.658 0 216 GLN   BBB CB  1 ? 40 
ATOM   1824 C CG  . GLN   A 1 217 ? 52.116 -9.919  -34.796 1.000 123.696 0 216 GLN   BBB CG  1 ? 40 
ATOM   1825 C CD  . GLN   A 1 217 ? 51.564 -9.413  -33.483 1.000 123.141 0 216 GLN   BBB CD  1 ? 40 
ATOM   1826 O OE1 . GLN   A 1 217 ? 50.983 -10.163 -32.701 1.000 122.037 0 216 GLN   BBB OE1 1 ? 40 
ATOM   1827 N NE2 . GLN   A 1 217 ? 51.728 -8.122  -33.231 1.000 122.916 0 216 GLN   BBB NE2 1 ? 40 
ATOM   1828 N N   . GLY   B 1 1   ? 51.145 30.311  -9.445  1.000 100.085 0 0   GLY   CCC N   1 ? 41 
ATOM   1829 C CA  . GLY   B 1 1   ? 50.589 28.928  -9.391  1.000 99.973  0 0   GLY   CCC CA  1 ? 41 
ATOM   1830 C C   . GLY   B 1 1   ? 50.746 28.206  -10.720 1.000 99.028  0 0   GLY   CCC C   1 ? 41 
ATOM   1831 O O   . GLY   B 1 1   ? 50.587 28.857  -11.777 1.000 95.986  0 0   GLY   CCC O   1 ? 41 
ATOM   1832 N N   . MET   B 1 2   ? 51.038 26.906  -10.673 1.000 99.121  0 1   MET   CCC N   1 ? 41 
ATOM   1833 C CA  . MET   B 1 2   ? 51.278 26.072  -11.882 1.000 96.722  0 1   MET   CCC CA  1 ? 41 
ATOM   1834 C C   . MET   B 1 2   ? 50.022 26.083  -12.766 1.000 92.510  0 1   MET   CCC C   1 ? 41 
ATOM   1835 O O   . MET   B 1 2   ? 50.138 26.431  -13.956 1.000 89.505  0 1   MET   CCC O   1 ? 41 
ATOM   1836 C CB  . MET   B 1 2   ? 51.629 24.633  -11.501 1.000 98.868  0 1   MET   CCC CB  1 ? 41 
ATOM   1837 C CG  . MET   B 1 2   ? 52.164 23.837  -12.667 1.000 100.347 0 1   MET   CCC CG  1 ? 41 
ATOM   1838 S SD  . MET   B 1 2   ? 52.712 22.177  -12.183 1.000 104.500 0 1   MET   CCC SD  1 ? 41 
ATOM   1839 C CE  . MET   B 1 2   ? 51.213 21.538  -11.436 1.000 103.311 0 1   MET   CCC CE  1 ? 41 
ATOM   1840 N N   . TYR   B 1 3   ? 48.861 25.755  -12.195 1.000 88.973  0 2   TYR   CCC N   1 ? 41 
ATOM   1841 C CA  . TYR   B 1 3   ? 47.561 25.659  -12.915 1.000 86.862  0 2   TYR   CCC CA  1 ? 41 
ATOM   1842 C C   . TYR   B 1 3   ? 47.166 27.039  -13.459 1.000 86.147  0 2   TYR   CCC C   1 ? 41 
ATOM   1843 O O   . TYR   B 1 3   ? 46.486 27.092  -14.502 1.000 82.409  0 2   TYR   CCC O   1 ? 41 
ATOM   1844 C CB  . TYR   B 1 3   ? 46.486 25.024  -12.024 1.000 88.421  0 2   TYR   CCC CB  1 ? 41 
ATOM   1845 C CG  . TYR   B 1 3   ? 46.573 23.518  -11.935 1.000 91.825  0 2   TYR   CCC CG  1 ? 41 
ATOM   1846 C CD1 . TYR   B 1 3   ? 47.352 22.897  -10.969 1.000 93.938  0 2   TYR   CCC CD1 1 ? 41 
ATOM   1847 C CD2 . TYR   B 1 3   ? 45.912 22.704  -12.843 1.000 93.421  0 2   TYR   CCC CD2 1 ? 41 
ATOM   1848 C CE1 . TYR   B 1 3   ? 47.454 21.517  -10.893 1.000 94.931  0 2   TYR   CCC CE1 1 ? 41 
ATOM   1849 C CE2 . TYR   B 1 3   ? 46.009 21.321  -12.784 1.000 95.588  0 2   TYR   CCC CE2 1 ? 41 
ATOM   1850 C CZ  . TYR   B 1 3   ? 46.785 20.722  -11.804 1.000 96.946  0 2   TYR   CCC CZ  1 ? 41 
ATOM   1851 O OH  . TYR   B 1 3   ? 46.908 19.361  -11.727 1.000 101.292 0 2   TYR   CCC OH  1 ? 41 
ATOM   1852 N N   . ASP   B 1 4   ? 47.617 28.121  -12.812 1.000 89.649  0 3   ASP   CCC N   1 ? 41 
ATOM   1853 C CA  . ASP   B 1 4   ? 47.297 29.523  -13.207 1.000 91.732  0 3   ASP   CCC CA  1 ? 41 
ATOM   1854 C C   . ASP   B 1 4   ? 48.098 29.917  -14.457 1.000 88.451  0 3   ASP   CCC C   1 ? 41 
ATOM   1855 O O   . ASP   B 1 4   ? 47.546 30.659  -15.294 1.000 88.240  0 3   ASP   CCC O   1 ? 41 
ATOM   1856 C CB  . ASP   B 1 4   ? 47.531 30.493  -12.045 1.000 94.518  0 3   ASP   CCC CB  1 ? 41 
ATOM   1857 C CG  . ASP   B 1 4   ? 46.664 30.194  -10.834 1.000 95.708  0 3   ASP   CCC CG  1 ? 41 
ATOM   1858 O OD1 . ASP   B 1 4   ? 45.450 30.429  -10.918 1.000 98.631  0 3   ASP   CCC OD1 1 ? 41 
ATOM   1859 O OD2 . ASP   B 1 4   ? 47.203 29.716  -9.825  1.000 95.987  0 3   ASP   CCC OD2 1 ? 41 
ATOM   1860 N N   . ARG   B 1 5   ? 49.338 29.439  -14.594 1.000 86.442  0 4   ARG   CCC N   1 ? 41 
ATOM   1861 C CA  . ARG   B 1 5   ? 50.204 29.727  -15.773 1.000 86.723  0 4   ARG   CCC CA  1 ? 41 
ATOM   1862 C C   . ARG   B 1 5   ? 49.743 28.911  -16.991 1.000 82.612  0 4   ARG   CCC C   1 ? 41 
ATOM   1863 O O   . ARG   B 1 5   ? 50.086 29.309  -18.123 1.000 81.589  0 4   ARG   CCC O   1 ? 41 
ATOM   1864 C CB  . ARG   B 1 5   ? 51.674 29.434  -15.456 1.000 91.011  0 4   ARG   CCC CB  1 ? 41 
ATOM   1865 C CG  . ARG   B 1 5   ? 52.293 30.409  -14.461 1.000 95.271  0 4   ARG   CCC CG  1 ? 41 
ATOM   1866 C CD  . ARG   B 1 5   ? 53.802 30.269  -14.304 1.000 97.473  0 4   ARG   CCC CD  1 ? 41 
ATOM   1867 N NE  . ARG   B 1 5   ? 54.207 29.073  -13.570 1.000 99.146  0 4   ARG   CCC NE  1 ? 41 
ATOM   1868 C CZ  . ARG   B 1 5   ? 54.567 27.908  -14.115 1.000 99.334  0 4   ARG   CCC CZ  1 ? 41 
ATOM   1869 N NH1 . ARG   B 1 5   ? 54.582 27.740  -15.430 1.000 96.776  0 4   ARG   CCC NH1 1 ? 41 
ATOM   1870 N NH2 . ARG   B 1 5   ? 54.902 26.901  -13.327 1.000 100.896 0 4   ARG   CCC NH2 1 ? 41 
ATOM   1871 N N   . TRP   B 1 6   ? 48.991 27.822  -16.783 1.000 77.097  0 5   TRP   CCC N   1 ? 41 
ATOM   1872 C CA  . TRP   B 1 6   ? 48.675 26.809  -17.829 1.000 72.979  0 5   TRP   CCC CA  1 ? 41 
ATOM   1873 C C   . TRP   B 1 6   ? 47.229 26.913  -18.326 1.000 71.543  0 5   TRP   CCC C   1 ? 41 
ATOM   1874 O O   . TRP   B 1 6   ? 46.983 26.520  -19.477 1.000 70.915  0 5   TRP   CCC O   1 ? 41 
ATOM   1875 C CB  . TRP   B 1 6   ? 48.993 25.404  -17.317 1.000 70.074  0 5   TRP   CCC CB  1 ? 41 
ATOM   1876 C CG  . TRP   B 1 6   ? 50.429 25.051  -17.533 1.000 68.691  0 5   TRP   CCC CG  1 ? 41 
ATOM   1877 C CD1 . TRP   B 1 6   ? 51.467 25.227  -16.665 1.000 68.693  0 5   TRP   CCC CD1 1 ? 41 
ATOM   1878 C CD2 . TRP   B 1 6   ? 51.001 24.517  -18.738 1.000 67.713  0 5   TRP   CCC CD2 1 ? 41 
ATOM   1879 N NE1 . TRP   B 1 6   ? 52.635 24.794  -17.230 1.000 67.895  0 5   TRP   CCC NE1 1 ? 41 
ATOM   1880 C CE2 . TRP   B 1 6   ? 52.385 24.360  -18.504 1.000 66.702  0 5   TRP   CCC CE2 1 ? 41 
ATOM   1881 C CE3 . TRP   B 1 6   ? 50.472 24.118  -19.969 1.000 65.575  0 5   TRP   CCC CE3 1 ? 41 
ATOM   1882 C CZ2 . TRP   B 1 6   ? 53.246 23.848  -19.470 1.000 64.906  0 5   TRP   CCC CZ2 1 ? 41 
ATOM   1883 C CZ3 . TRP   B 1 6   ? 51.323 23.602  -20.918 1.000 65.496  0 5   TRP   CCC CZ3 1 ? 41 
ATOM   1884 C CH2 . TRP   B 1 6   ? 52.692 23.475  -20.670 1.000 64.927  0 5   TRP   CCC CH2 1 ? 41 
ATOM   1885 N N   . PHE   B 1 7   ? 46.310 27.405  -17.494 1.000 71.595  0 6   PHE   CCC N   1 ? 41 
ATOM   1886 C CA  . PHE   B 1 7   ? 44.868 27.533  -17.826 1.000 70.967  0 6   PHE   CCC CA  1 ? 41 
ATOM   1887 C C   . PHE   B 1 7   ? 44.416 28.970  -17.562 1.000 71.654  0 6   PHE   CCC C   1 ? 41 
ATOM   1888 O O   . PHE   B 1 7   ? 44.966 29.599  -16.649 1.000 74.025  0 6   PHE   CCC O   1 ? 41 
ATOM   1889 C CB  . PHE   B 1 7   ? 44.044 26.553  -16.991 1.000 68.749  0 6   PHE   CCC CB  1 ? 41 
ATOM   1890 C CG  . PHE   B 1 7   ? 44.339 25.089  -17.214 1.000 67.005  0 6   PHE   CCC CG  1 ? 41 
ATOM   1891 C CD1 . PHE   B 1 7   ? 45.356 24.446  -16.518 1.000 65.460  0 6   PHE   CCC CD1 1 ? 41 
ATOM   1892 C CD2 . PHE   B 1 7   ? 43.560 24.340  -18.079 1.000 65.864  0 6   PHE   CCC CD2 1 ? 41 
ATOM   1893 C CE1 . PHE   B 1 7   ? 45.597 23.096  -16.703 1.000 64.955  0 6   PHE   CCC CE1 1 ? 41 
ATOM   1894 C CE2 . PHE   B 1 7   ? 43.798 22.985  -18.249 1.000 65.744  0 6   PHE   CCC CE2 1 ? 41 
ATOM   1895 C CZ  . PHE   B 1 7   ? 44.815 22.366  -17.564 1.000 65.148  0 6   PHE   CCC CZ  1 ? 41 
ATOM   1896 N N   . SER   B 1 8   ? 43.453 29.456  -18.346 1.000 70.113  0 7   SER   CCC N   1 ? 42 
ATOM   1897 C CA  . SER   B 1 8   ? 42.752 30.750  -18.143 1.000 74.291  0 7   SER   CCC CA  1 ? 42 
ATOM   1898 C C   . SER   B 1 8   ? 41.812 30.617  -16.942 1.000 77.838  0 7   SER   CCC C   1 ? 42 
ATOM   1899 O O   . SER   B 1 8   ? 41.512 29.468  -16.560 1.000 77.525  0 7   SER   CCC O   1 ? 42 
ATOM   1900 C CB  . SER   B 1 8   ? 42.000 31.176  -19.378 1.000 73.473  0 7   SER   CCC CB  1 ? 42 
ATOM   1901 O OG  . SER   B 1 8   ? 40.883 30.330  -19.611 1.000 72.425  0 7   SER   CCC OG  1 ? 42 
ATOM   1902 N N   . GLN   B 1 9   ? 41.372 31.743  -16.373 1.000 83.325  0 8   GLN   CCC N   1 ? 42 
ATOM   1903 C CA  . GLN   B 1 9   ? 40.473 31.769  -15.186 1.000 86.329  0 8   GLN   CCC CA  1 ? 42 
ATOM   1904 C C   . GLN   B 1 9   ? 39.154 31.077  -15.547 1.000 84.126  0 8   GLN   CCC C   1 ? 42 
ATOM   1905 O O   . GLN   B 1 9   ? 38.653 30.305  -14.715 1.000 82.398  0 8   GLN   CCC O   1 ? 42 
ATOM   1906 C CB  . GLN   B 1 9   ? 40.256 33.204  -14.696 1.000 91.798  0 8   GLN   CCC CB  1 ? 42 
ATOM   1907 C CG  . GLN   B 1 9   ? 41.480 33.821  -14.026 1.000 96.345  0 8   GLN   CCC CG  1 ? 42 
ATOM   1908 C CD  . GLN   B 1 9   ? 42.030 32.972  -12.902 1.000 99.636  0 8   GLN   CCC CD  1 ? 42 
ATOM   1909 O OE1 . GLN   B 1 9   ? 43.185 32.548  -12.920 1.000 102.059 0 8   GLN   CCC OE1 1 ? 42 
ATOM   1910 N NE2 . GLN   B 1 9   ? 41.192 32.694  -11.916 1.000 101.161 0 8   GLN   CCC NE2 1 ? 42 
ATOM   1911 N N   . GLN   B 1 10  ? 38.647 31.315  -16.761 1.000 85.348  0 9   GLN   CCC N   1 ? 42 
ATOM   1912 C CA  . GLN   B 1 10  ? 37.392 30.713  -17.283 1.000 88.393  0 9   GLN   CCC CA  1 ? 42 
ATOM   1913 C C   . GLN   B 1 10  ? 37.525 29.183  -17.318 1.000 86.275  0 9   GLN   CCC C   1 ? 42 
ATOM   1914 O O   . GLN   B 1 10  ? 36.537 28.498  -16.962 1.000 86.657  0 9   GLN   CCC O   1 ? 42 
ATOM   1915 C CB  . GLN   B 1 10  ? 37.073 31.275  -18.668 1.000 92.591  0 9   GLN   CCC CB  1 ? 42 
ATOM   1916 C CG  . GLN   B 1 10  ? 35.702 30.855  -19.179 1.000 98.306  0 9   GLN   CCC CG  1 ? 42 
ATOM   1917 C CD  . GLN   B 1 10  ? 35.366 31.490  -20.506 1.000 103.757 0 9   GLN   CCC CD  1 ? 42 
ATOM   1918 O OE1 . GLN   B 1 10  ? 36.116 32.309  -21.036 1.000 106.981 0 9   GLN   CCC OE1 1 ? 42 
ATOM   1919 N NE2 . GLN   B 1 10  ? 34.224 31.111  -21.059 1.000 105.487 0 9   GLN   CCC NE2 1 ? 42 
ATOM   1920 N N   . GLU   B 1 11  ? 38.694 28.676  -17.728 1.000 82.009  0 10  GLU   CCC N   1 ? 42 
ATOM   1921 C CA  . GLU   B 1 11  ? 38.993 27.222  -17.820 1.000 79.265  0 10  GLU   CCC CA  1 ? 42 
ATOM   1922 C C   . GLU   B 1 11  ? 39.116 26.626  -16.411 1.000 78.648  0 10  GLU   CCC C   1 ? 42 
ATOM   1923 O O   . GLU   B 1 11  ? 38.636 25.490  -16.217 1.000 77.420  0 10  GLU   CCC O   1 ? 42 
ATOM   1924 C CB  . GLU   B 1 11  ? 40.278 26.966  -18.614 1.000 76.032  0 10  GLU   CCC CB  1 ? 42 
ATOM   1925 C CG  . GLU   B 1 11  ? 40.136 27.180  -20.109 1.000 74.539  0 10  GLU   CCC CG  1 ? 42 
ATOM   1926 C CD  . GLU   B 1 11  ? 41.437 27.075  -20.895 1.000 74.135  0 10  GLU   CCC CD  1 ? 42 
ATOM   1927 O OE1 . GLU   B 1 11  ? 42.512 27.250  -20.296 1.000 72.808  0 10  GLU   CCC OE1 1 ? 42 
ATOM   1928 O OE2 . GLU   B 1 11  ? 41.370 26.811  -22.100 1.000 73.891  0 10  GLU   CCC OE2 1 ? 42 
ATOM   1929 N N   . LEU   B 1 12  ? 39.754 27.347  -15.482 1.000 78.499  0 11  LEU   CCC N   1 ? 42 
ATOM   1930 C CA  . LEU   B 1 12  ? 40.002 26.875  -14.093 1.000 81.103  0 11  LEU   CCC CA  1 ? 42 
ATOM   1931 C C   . LEU   B 1 12  ? 38.685 26.712  -13.331 1.000 83.863  0 11  LEU   CCC C   1 ? 42 
ATOM   1932 O O   . LEU   B 1 12  ? 38.673 25.928  -12.353 1.000 84.722  0 11  LEU   CCC O   1 ? 42 
ATOM   1933 C CB  . LEU   B 1 12  ? 40.923 27.865  -13.373 1.000 82.098  0 11  LEU   CCC CB  1 ? 42 
ATOM   1934 C CG  . LEU   B 1 12  ? 42.404 27.745  -13.714 1.000 82.148  0 11  LEU   CCC CG  1 ? 42 
ATOM   1935 C CD1 . LEU   B 1 12  ? 43.191 28.850  -13.030 1.000 82.819  0 11  LEU   CCC CD1 1 ? 42 
ATOM   1936 C CD2 . LEU   B 1 12  ? 42.932 26.370  -13.320 1.000 81.109  0 11  LEU   CCC CD2 1 ? 42 
ATOM   1937 N N   . GLN   B 1 13  ? 37.630 27.418  -13.751 1.000 87.846  0 12  GLN   CCC N   1 ? 42 
ATOM   1938 C CA  . GLN   B 1 13  ? 36.272 27.314  -13.151 1.000 92.851  0 12  GLN   CCC CA  1 ? 42 
ATOM   1939 C C   . GLN   B 1 13  ? 35.612 25.995  -13.568 1.000 90.958  0 12  GLN   CCC C   1 ? 42 
ATOM   1940 O O   . GLN   B 1 13  ? 34.815 25.474  -12.769 1.000 90.545  0 12  GLN   CCC O   1 ? 42 
ATOM   1941 C CB  . GLN   B 1 13  ? 35.413 28.519  -13.545 1.000 98.052  0 12  GLN   CCC CB  1 ? 42 
ATOM   1942 C CG  . GLN   B 1 13  ? 35.783 29.776  -12.760 1.000 102.090 0 12  GLN   CCC CG  1 ? 42 
ATOM   1943 C CD  . GLN   B 1 13  ? 34.776 30.891  -12.909 1.000 107.902 0 12  GLN   CCC CD  1 ? 42 
ATOM   1944 O OE1 . GLN   B 1 13  ? 34.805 31.654  -13.874 1.000 111.005 0 12  GLN   CCC OE1 1 ? 42 
ATOM   1945 N NE2 . GLN   B 1 13  ? 33.885 31.003  -11.936 1.000 110.153 0 12  GLN   CCC NE2 1 ? 42 
ATOM   1946 N N   . VAL   B 1 14  ? 35.937 25.484  -14.760 1.000 89.908  0 13  VAL   CCC N   1 ? 42 
ATOM   1947 C CA  . VAL   B 1 14  ? 35.289 24.285  -15.378 1.000 89.401  0 13  VAL   CCC CA  1 ? 42 
ATOM   1948 C C   . VAL   B 1 14  ? 36.135 23.031  -15.112 1.000 86.206  0 13  VAL   CCC C   1 ? 42 
ATOM   1949 O O   . VAL   B 1 14  ? 35.554 21.940  -15.115 1.000 87.409  0 13  VAL   CCC O   1 ? 42 
ATOM   1950 C CB  . VAL   B 1 14  ? 35.061 24.495  -16.888 1.000 92.742  0 13  VAL   CCC CB  1 ? 42 
ATOM   1951 C CG1 . VAL   B 1 14  ? 34.352 23.305  -17.522 1.000 94.417  0 13  VAL   CCC CG1 1 ? 42 
ATOM   1952 C CG2 . VAL   B 1 14  ? 34.308 25.789  -17.174 1.000 95.141  0 13  VAL   CCC CG2 1 ? 42 
ATOM   1953 N N   . LEU   B 1 15  ? 37.441 23.187  -14.877 1.000 82.832  0 14  LEU   CCC N   1 ? 42 
ATOM   1954 C CA  . LEU   B 1 15  ? 38.426 22.079  -14.764 1.000 82.157  0 14  LEU   CCC CA  1 ? 42 
ATOM   1955 C C   . LEU   B 1 15  ? 38.315 21.414  -13.394 1.000 84.547  0 14  LEU   CCC C   1 ? 42 
ATOM   1956 O O   . LEU   B 1 15  ? 38.766 21.976  -12.397 1.000 82.793  0 14  LEU   CCC O   1 ? 42 
ATOM   1957 C CB  . LEU   B 1 15  ? 39.837 22.638  -14.978 1.000 81.605  0 14  LEU   CCC CB  1 ? 42 
ATOM   1958 C CG  . LEU   B 1 15  ? 40.974 21.619  -14.870 1.000 80.935  0 14  LEU   CCC CG  1 ? 42 
ATOM   1959 C CD1 . LEU   B 1 15  ? 40.918 20.629  -16.012 1.000 80.891  0 14  LEU   CCC CD1 1 ? 42 
ATOM   1960 C CD2 . LEU   B 1 15  ? 42.333 22.293  -14.843 1.000 81.426  0 14  LEU   CCC CD2 1 ? 42 
ATOM   1961 N N   . PRO   B 1 16  ? 37.759 20.182  -13.304 1.000 87.456  0 15  PRO   CCC N   1 ? 42 
ATOM   1962 C CA  . PRO   B 1 16  ? 37.677 19.458  -12.036 1.000 90.258  0 15  PRO   CCC CA  1 ? 42 
ATOM   1963 C C   . PRO   B 1 16  ? 39.013 19.347  -11.284 1.000 94.000  0 15  PRO   CCC C   1 ? 42 
ATOM   1964 O O   . PRO   B 1 16  ? 38.982 19.398  -10.076 1.000 96.684  0 15  PRO   CCC O   1 ? 42 
ATOM   1965 C CB  . PRO   B 1 16  ? 37.168 18.069  -12.455 1.000 91.710  0 15  PRO   CCC CB  1 ? 42 
ATOM   1966 C CG  . PRO   B 1 16  ? 36.357 18.348  -13.703 1.000 90.356  0 15  PRO   CCC CG  1 ? 42 
ATOM   1967 C CD  . PRO   B 1 16  ? 37.158 19.418  -14.410 1.000 89.027  0 15  PRO   CCC CD  1 ? 42 
ATOM   1968 N N   . PHE   B 1 17  ? 40.139 19.220  -11.992 1.000 95.829  0 16  PHE   CCC N   1 ? 42 
ATOM   1969 C CA  . PHE   B 1 17  ? 41.484 19.055  -11.377 1.000 97.747  0 16  PHE   CCC CA  1 ? 42 
ATOM   1970 C C   . PHE   B 1 17  ? 41.873 20.291  -10.556 1.000 99.071  0 16  PHE   CCC C   1 ? 42 
ATOM   1971 O O   . PHE   B 1 17  ? 42.753 20.142  -9.688  1.000 102.083 0 16  PHE   CCC O   1 ? 42 
ATOM   1972 C CB  . PHE   B 1 17  ? 42.558 18.767  -12.431 1.000 99.108  0 16  PHE   CCC CB  1 ? 42 
ATOM   1973 C CG  . PHE   B 1 17  ? 42.756 17.307  -12.745 1.000 100.981 0 16  PHE   CCC CG  1 ? 42 
ATOM   1974 C CD1 . PHE   B 1 17  ? 43.015 16.395  -11.734 1.000 103.744 0 16  PHE   CCC CD1 1 ? 42 
ATOM   1975 C CD2 . PHE   B 1 17  ? 42.706 16.847  -14.050 1.000 101.421 0 16  PHE   CCC CD2 1 ? 42 
ATOM   1976 C CE1 . PHE   B 1 17  ? 43.204 15.053  -12.019 1.000 106.088 0 16  PHE   CCC CE1 1 ? 42 
ATOM   1977 C CE2 . PHE   B 1 17  ? 42.891 15.502  -14.332 1.000 103.515 0 16  PHE   CCC CE2 1 ? 42 
ATOM   1978 C CZ  . PHE   B 1 17  ? 43.143 14.608  -13.319 1.000 105.389 0 16  PHE   CCC CZ  1 ? 42 
ATOM   1979 N N   . ALA   B 1 18  ? 41.256 21.451  -10.815 1.000 100.033 0 17  ALA   CCC N   1 ? 42 
ATOM   1980 C CA  . ALA   B 1 18  ? 41.504 22.731  -10.105 1.000 102.795 0 17  ALA   CCC CA  1 ? 42 
ATOM   1981 C C   . ALA   B 1 18  ? 40.987 22.640  -8.661  1.000 106.729 0 17  ALA   CCC C   1 ? 42 
ATOM   1982 O O   . ALA   B 1 18  ? 41.723 23.050  -7.740  1.000 107.907 0 17  ALA   CCC O   1 ? 42 
ATOM   1983 C CB  . ALA   B 1 18  ? 40.855 23.875  -10.850 1.000 101.417 0 17  ALA   CCC CB  1 ? 42 
ATOM   1984 N N   . GLU   B 1 19  ? 39.761 22.141  -8.471  1.000 111.227 0 18  GLU   CCC N   1 ? 43 
ATOM   1985 C CA  . GLU   B 1 19  ? 39.174 21.923  -7.118  1.000 112.352 0 18  GLU   CCC CA  1 ? 43 
ATOM   1986 C C   . GLU   B 1 19  ? 39.843 20.707  -6.466  1.000 110.969 0 18  GLU   CCC C   1 ? 43 
ATOM   1987 O O   . GLU   B 1 19  ? 40.016 19.694  -7.173  1.000 111.594 0 18  GLU   CCC O   1 ? 43 
ATOM   1988 C CB  . GLU   B 1 19  ? 37.656 21.727  -7.191  1.000 115.854 0 18  GLU   CCC CB  1 ? 43 
ATOM   1989 C CG  . GLU   B 1 19  ? 36.880 23.034  -7.308  1.000 119.355 0 18  GLU   CCC CG  1 ? 43 
ATOM   1990 C CD  . GLU   B 1 19  ? 35.543 23.101  -6.578  1.000 122.506 0 18  GLU   CCC CD  1 ? 43 
ATOM   1991 O OE1 . GLU   B 1 19  ? 35.014 22.037  -6.186  1.000 121.126 0 18  GLU   CCC OE1 1 ? 43 
ATOM   1992 O OE2 . GLU   B 1 19  ? 35.039 24.227  -6.395  1.000 123.741 0 18  GLU   CCC OE2 1 ? 43 
ATOM   1993 N N   . GLN   B 1 20  ? 40.175 20.775  -5.173  1.000 108.853 0 19  GLN   CCC N   1 ? 43 
ATOM   1994 C CA  . GLN   B 1 20  ? 40.585 19.573  -4.399  1.000 106.546 0 19  GLN   CCC CA  1 ? 43 
ATOM   1995 C C   . GLN   B 1 20  ? 39.337 18.709  -4.170  1.000 104.281 0 19  GLN   CCC C   1 ? 43 
ATOM   1996 O O   . GLN   B 1 20  ? 38.228 19.262  -3.995  1.000 104.352 0 19  GLN   CCC O   1 ? 43 
ATOM   1997 C CB  . GLN   B 1 20  ? 41.305 19.942  -3.098  1.000 106.941 0 19  GLN   CCC CB  1 ? 43 
ATOM   1998 C CG  . GLN   B 1 20  ? 42.782 20.257  -3.296  1.000 106.493 0 19  GLN   CCC CG  1 ? 43 
ATOM   1999 C CD  . GLN   B 1 20  ? 43.592 19.071  -3.768  1.000 105.195 0 19  GLN   CCC CD  1 ? 43 
ATOM   2000 O OE1 . GLN   B 1 20  ? 43.466 17.963  -3.252  1.000 102.253 0 19  GLN   CCC OE1 1 ? 43 
ATOM   2001 N NE2 . GLN   B 1 20  ? 44.444 19.300  -4.756  1.000 104.918 0 19  GLN   CCC NE2 1 ? 43 
ATOM   2002 N N   . ASP   B 1 21  ? 39.510 17.391  -4.205  1.000 100.518 0 20  ASP   CCC N   1 ? 43 
ATOM   2003 C CA  . ASP   B 1 21  ? 38.427 16.384  -4.030  1.000 101.756 0 20  ASP   CCC CA  1 ? 43 
ATOM   2004 C C   . ASP   B 1 21  ? 39.070 15.076  -3.557  1.000 102.460 0 20  ASP   CCC C   1 ? 43 
ATOM   2005 O O   . ASP   B 1 21  ? 39.900 14.545  -4.315  1.000 100.905 0 20  ASP   CCC O   1 ? 43 
ATOM   2006 C CB  . ASP   B 1 21  ? 37.626 16.258  -5.331  1.000 102.849 0 20  ASP   CCC CB  1 ? 43 
ATOM   2007 C CG  . ASP   B 1 21  ? 36.409 15.351  -5.255  1.000 103.666 0 20  ASP   CCC CG  1 ? 43 
ATOM   2008 O OD1 . ASP   B 1 21  ? 36.590 14.182  -4.882  1.000 105.220 0 20  ASP   CCC OD1 1 ? 43 
ATOM   2009 O OD2 . ASP   B 1 21  ? 35.285 15.824  -5.563  1.000 105.319 0 20  ASP   CCC OD2 1 ? 43 
ATOM   2010 N N   . GLU   B 1 22  ? 38.733 14.639  -2.338  1.000 104.822 0 21  GLU   CCC N   1 ? 43 
ATOM   2011 C CA  . GLU   B 1 22  ? 39.362 13.514  -1.596  1.000 107.667 0 21  GLU   CCC CA  1 ? 43 
ATOM   2012 C C   . GLU   B 1 22  ? 39.245 12.209  -2.397  1.000 108.831 0 21  GLU   CCC C   1 ? 43 
ATOM   2013 O O   . GLU   B 1 22  ? 40.238 11.435  -2.466  1.000 106.960 0 21  GLU   CCC O   1 ? 43 
ATOM   2014 C CB  . GLU   B 1 22  ? 38.644 13.290  -0.259  1.000 106.364 0 21  GLU   CCC CB  1 ? 43 
ATOM   2015 C CG  . GLU   B 1 22  ? 38.736 14.440  0.740   1.000 107.207 0 21  GLU   CCC CG  1 ? 43 
ATOM   2016 C CD  . GLU   B 1 22  ? 37.930 14.259  2.022   1.000 106.529 0 21  GLU   CCC CD  1 ? 43 
ATOM   2017 O OE1 . GLU   B 1 22  ? 37.679 13.099  2.412   1.000 104.086 0 21  GLU   CCC OE1 1 ? 43 
ATOM   2018 O OE2 . GLU   B 1 22  ? 37.551 15.283  2.632   1.000 105.328 0 21  GLU   CCC OE2 1 ? 43 
ATOM   2019 N N   . GLN   B 1 23  ? 38.045 11.970  -2.937  1.000 110.511 0 22  GLN   CCC N   1 ? 43 
ATOM   2020 C CA  . GLN   B 1 23  ? 37.686 10.754  -3.718  1.000 112.445 0 22  GLN   CCC CA  1 ? 43 
ATOM   2021 C C   . GLN   B 1 23  ? 38.604 10.668  -4.948  1.000 111.259 0 22  GLN   CCC C   1 ? 43 
ATOM   2022 O O   . GLN   B 1 23  ? 39.227 9.607   -5.144  1.000 111.322 0 22  GLN   CCC O   1 ? 43 
ATOM   2023 C CB  . GLN   B 1 23  ? 36.198 10.803  -4.087  1.000 115.507 0 22  GLN   CCC CB  1 ? 43 
ATOM   2024 C CG  . GLN   B 1 23  ? 35.646 9.502   -4.659  1.000 118.844 0 22  GLN   CCC CG  1 ? 43 
ATOM   2025 C CD  . GLN   B 1 23  ? 34.177 9.306   -4.368  1.000 122.799 0 22  GLN   CCC CD  1 ? 43 
ATOM   2026 O OE1 . GLN   B 1 23  ? 33.353 10.211  -4.504  1.000 121.824 0 22  GLN   CCC OE1 1 ? 43 
ATOM   2027 N NE2 . GLN   B 1 23  ? 33.839 8.099   -3.956  1.000 124.650 0 22  GLN   CCC NE2 1 ? 43 
ATOM   2028 N N   . ARG   B 1 24  ? 38.703 11.760  -5.718  1.000 105.971 0 23  ARG   CCC N   1 ? 43 
ATOM   2029 C CA  . ARG   B 1 24  ? 39.531 11.837  -6.952  1.000 102.326 0 23  ARG   CCC CA  1 ? 43 
ATOM   2030 C C   . ARG   B 1 24  ? 41.002 11.560  -6.611  1.000 100.174 0 23  ARG   CCC C   1 ? 43 
ATOM   2031 O O   . ARG   B 1 24  ? 41.646 10.828  -7.392  1.000 100.933 0 23  ARG   CCC O   1 ? 43 
ATOM   2032 C CB  . ARG   B 1 24  ? 39.380 13.197  -7.641  1.000 100.922 0 23  ARG   CCC CB  1 ? 43 
ATOM   2033 C CG  . ARG   B 1 24  ? 40.278 13.357  -8.862  1.000 99.854  0 23  ARG   CCC CG  1 ? 43 
ATOM   2034 C CD  . ARG   B 1 24  ? 39.875 14.537  -9.736  1.000 99.869  0 23  ARG   CCC CD  1 ? 43 
ATOM   2035 N NE  . ARG   B 1 24  ? 39.796 15.797  -9.005  1.000 98.926  0 23  ARG   CCC NE  1 ? 43 
ATOM   2036 C CZ  . ARG   B 1 24  ? 38.692 16.516  -8.811  1.000 99.053  0 23  ARG   CCC CZ  1 ? 43 
ATOM   2037 N NH1 . ARG   B 1 24  ? 37.524 16.125  -9.300  1.000 97.527  0 23  ARG   CCC NH1 1 ? 43 
ATOM   2038 N NH2 . ARG   B 1 24  ? 38.761 17.626  -8.099  1.000 100.343 0 23  ARG   CCC NH2 1 ? 43 
ATOM   2039 N N   . ASN   B 1 25  ? 41.513 12.098  -5.498  1.000 95.916  0 24  ASN   CCC N   1 ? 43 
ATOM   2040 C CA  . ASN   B 1 25  ? 42.936 11.922  -5.096  1.000 94.556  0 24  ASN   CCC CA  1 ? 43 
ATOM   2041 C C   . ASN   B 1 25  ? 43.193 10.444  -4.781  1.000 89.791  0 24  ASN   CCC C   1 ? 43 
ATOM   2042 O O   . ASN   B 1 25  ? 44.274 9.925   -5.161  1.000 92.414  0 24  ASN   CCC O   1 ? 43 
ATOM   2043 C CB  . ASN   B 1 25  ? 43.317 12.802  -3.904  1.000 97.301  0 24  ASN   CCC CB  1 ? 43 
ATOM   2044 C CG  . ASN   B 1 25  ? 43.273 14.284  -4.215  1.000 99.830  0 24  ASN   CCC CG  1 ? 43 
ATOM   2045 O OD1 . ASN   B 1 25  ? 43.202 14.681  -5.377  1.000 98.510  0 24  ASN   CCC OD1 1 ? 43 
ATOM   2046 N ND2 . ASN   B 1 25  ? 43.309 15.110  -3.180  1.000 102.460 0 24  ASN   CCC ND2 1 ? 43 
ATOM   2047 N N   . GLN   B 1 26  ? 42.231 9.796   -4.119  1.000 98.114  0 25  GLN   CCC N   1 ? 44 
ATOM   2048 C CA  . GLN   B 1 26  ? 42.337 8.374   -3.703  1.000 97.226  0 25  GLN   CCC CA  1 ? 44 
ATOM   2049 C C   . GLN   B 1 26  ? 42.353 7.507   -4.963  1.000 89.694  0 25  GLN   CCC C   1 ? 44 
ATOM   2050 O O   . GLN   B 1 26  ? 43.196 6.601   -5.038  1.000 86.869  0 25  GLN   CCC O   1 ? 44 
ATOM   2051 C CB  . GLN   B 1 26  ? 41.206 7.995   -2.737  1.000 101.002 0 25  GLN   CCC CB  1 ? 44 
ATOM   2052 C CG  . GLN   B 1 26  ? 41.417 8.514   -1.324  1.000 107.994 0 25  GLN   CCC CG  1 ? 44 
ATOM   2053 C CD  . GLN   B 1 26  ? 42.881 8.558   -0.959  1.000 109.258 0 25  GLN   CCC CD  1 ? 44 
ATOM   2054 O OE1 . GLN   B 1 26  ? 43.437 9.620   -0.692  1.000 112.679 0 25  GLN   CCC OE1 1 ? 44 
ATOM   2055 N NE2 . GLN   B 1 26  ? 43.532 7.405   -0.999  1.000 107.401 0 25  GLN   CCC NE2 1 ? 44 
ATOM   2056 N N   . THR   B 1 27  ? 41.472 7.808   -5.920  1.000 85.164  0 26  THR   CCC N   1 ? 44 
ATOM   2057 C CA  . THR   B 1 27  ? 41.387 7.112   -7.227  1.000 80.515  0 26  THR   CCC CA  1 ? 44 
ATOM   2058 C C   . THR   B 1 27  ? 42.746 7.199   -7.933  1.000 75.672  0 26  THR   CCC C   1 ? 44 
ATOM   2059 O O   . THR   B 1 27  ? 43.216 6.146   -8.407  1.000 75.435  0 26  THR   CCC O   1 ? 44 
ATOM   2060 C CB  . THR   B 1 27  ? 40.240 7.662   -8.082  1.000 81.245  0 26  THR   CCC CB  1 ? 44 
ATOM   2061 O OG1 . THR   B 1 27  ? 39.034 7.627   -7.318  1.000 83.064  0 26  THR   CCC OG1 1 ? 44 
ATOM   2062 C CG2 . THR   B 1 27  ? 40.044 6.859   -9.346  1.000 79.596  0 26  THR   CCC CG2 1 ? 44 
ATOM   2063 N N   . TRP   B 1 28  ? 43.375 8.379   -7.980  1.000 73.532  0 27  TRP   CCC N   1 ? 44 
ATOM   2064 C CA  . TRP   B 1 28  ? 44.674 8.576   -8.687  1.000 71.058  0 27  TRP   CCC CA  1 ? 44 
ATOM   2065 C C   . TRP   B 1 28  ? 45.810 7.879   -7.933  1.000 71.945  0 27  TRP   CCC C   1 ? 44 
ATOM   2066 O O   . TRP   B 1 28  ? 46.741 7.378   -8.608  1.000 69.513  0 27  TRP   CCC O   1 ? 44 
ATOM   2067 C CB  . TRP   B 1 28  ? 44.963 10.055  -8.967  1.000 71.248  0 27  TRP   CCC CB  1 ? 44 
ATOM   2068 C CG  . TRP   B 1 28  ? 44.294 10.491  -10.233 1.000 69.555  0 27  TRP   CCC CG  1 ? 44 
ATOM   2069 C CD1 . TRP   B 1 28  ? 43.188 11.282  -10.361 1.000 71.946  0 27  TRP   CCC CD1 1 ? 44 
ATOM   2070 C CD2 . TRP   B 1 28  ? 44.636 10.059  -11.563 1.000 67.569  0 27  TRP   CCC CD2 1 ? 44 
ATOM   2071 N NE1 . TRP   B 1 28  ? 42.838 11.395  -11.682 1.000 72.535  0 27  TRP   CCC NE1 1 ? 44 
ATOM   2072 C CE2 . TRP   B 1 28  ? 43.704 10.651  -12.441 1.000 69.107  0 27  TRP   CCC CE2 1 ? 44 
ATOM   2073 C CE3 . TRP   B 1 28  ? 45.638 9.237   -12.093 1.000 65.171  0 27  TRP   CCC CE3 1 ? 44 
ATOM   2074 C CZ2 . TRP   B 1 28  ? 43.750 10.439  -13.818 1.000 68.022  0 27  TRP   CCC CZ2 1 ? 44 
ATOM   2075 C CZ3 . TRP   B 1 28  ? 45.689 9.038   -13.460 1.000 63.286  0 27  TRP   CCC CZ3 1 ? 44 
ATOM   2076 C CH2 . TRP   B 1 28  ? 44.750 9.627   -14.303 1.000 64.659  0 27  TRP   CCC CH2 1 ? 44 
ATOM   2077 N N   . LEU   B 1 29  ? 45.734 7.826   -6.601  1.000 77.072  0 28  LEU   CCC N   1 ? 44 
ATOM   2078 C CA  . LEU   B 1 29  ? 46.717 7.078   -5.772  1.000 79.497  0 28  LEU   CCC CA  1 ? 44 
ATOM   2079 C C   . LEU   B 1 29  ? 46.700 5.604   -6.198  1.000 79.032  0 28  LEU   CCC C   1 ? 44 
ATOM   2080 O O   . LEU   B 1 29  ? 47.795 5.015   -6.378  1.000 77.423  0 28  LEU   CCC O   1 ? 44 
ATOM   2081 C CB  . LEU   B 1 29  ? 46.360 7.244   -4.289  1.000 85.772  0 28  LEU   CCC CB  1 ? 44 
ATOM   2082 C CG  . LEU   B 1 29  ? 47.330 6.597   -3.293  1.000 89.645  0 28  LEU   CCC CG  1 ? 44 
ATOM   2083 C CD1 . LEU   B 1 29  ? 48.756 7.115   -3.462  1.000 89.602  0 28  LEU   CCC CD1 1 ? 44 
ATOM   2084 C CD2 . LEU   B 1 29  ? 46.856 6.815   -1.858  1.000 94.788  0 28  LEU   CCC CD2 1 ? 44 
ATOM   2085 N N   . GLU   B 1 30  ? 45.497 5.044   -6.379  1.000 79.812  0 29  GLU   CCC N   1 ? 44 
ATOM   2086 C CA  . GLU   B 1 30  ? 45.291 3.620   -6.746  1.000 81.234  0 29  GLU   CCC CA  1 ? 44 
ATOM   2087 C C   . GLU   B 1 30  ? 45.747 3.404   -8.193  1.000 77.710  0 29  GLU   CCC C   1 ? 44 
ATOM   2088 O O   . GLU   B 1 30  ? 46.480 2.430   -8.416  1.000 79.601  0 29  GLU   CCC O   1 ? 44 
ATOM   2089 C CB  . GLU   B 1 30  ? 43.828 3.210   -6.566  1.000 85.681  0 29  GLU   CCC CB  1 ? 44 
ATOM   2090 C CG  . GLU   B 1 30  ? 43.373 3.141   -5.123  1.000 91.883  0 29  GLU   CCC CG  1 ? 44 
ATOM   2091 C CD  . GLU   B 1 30  ? 41.882 2.880   -4.945  1.000 95.752  0 29  GLU   CCC CD  1 ? 44 
ATOM   2092 O OE1 . GLU   B 1 30  ? 41.240 2.387   -5.904  1.000 94.005  0 29  GLU   CCC OE1 1 ? 44 
ATOM   2093 O OE2 . GLU   B 1 30  ? 41.359 3.166   -3.841  1.000 100.290 0 29  GLU   CCC OE2 1 ? 44 
ATOM   2094 N N   . LEU   B 1 31  ? 45.335 4.268   -9.130  1.000 73.563  0 30  LEU   CCC N   1 ? 44 
ATOM   2095 C CA  . LEU   B 1 31  ? 45.679 4.144   -10.578 1.000 69.919  0 30  LEU   CCC CA  1 ? 44 
ATOM   2096 C C   . LEU   B 1 31  ? 47.198 4.119   -10.727 1.000 67.579  0 30  LEU   CCC C   1 ? 44 
ATOM   2097 O O   . LEU   B 1 31  ? 47.708 3.184   -11.377 1.000 66.072  0 30  LEU   CCC O   1 ? 44 
ATOM   2098 C CB  . LEU   B 1 31  ? 45.071 5.307   -11.365 1.000 68.748  0 30  LEU   CCC CB  1 ? 44 
ATOM   2099 C CG  . LEU   B 1 31  ? 43.548 5.284   -11.505 1.000 70.144  0 30  LEU   CCC CG  1 ? 44 
ATOM   2100 C CD1 . LEU   B 1 31  ? 43.042 6.560   -12.146 1.000 71.125  0 30  LEU   CCC CD1 1 ? 44 
ATOM   2101 C CD2 . LEU   B 1 31  ? 43.068 4.074   -12.284 1.000 70.798  0 30  LEU   CCC CD2 1 ? 44 
ATOM   2102 N N   . VAL   B 1 32  ? 47.888 5.080   -10.106 1.000 69.490  0 31  VAL   CCC N   1 ? 44 
ATOM   2103 C CA  . VAL   B 1 32  ? 49.369 5.222   -10.218 1.000 71.270  0 31  VAL   CCC CA  1 ? 44 
ATOM   2104 C C   . VAL   B 1 32  ? 50.034 4.003   -9.565  1.000 74.236  0 31  VAL   CCC C   1 ? 44 
ATOM   2105 O O   . VAL   B 1 32  ? 50.980 3.442   -10.181 1.000 73.014  0 31  VAL   CCC O   1 ? 44 
ATOM   2106 C CB  . VAL   B 1 32  ? 49.863 6.551   -9.616  1.000 73.372  0 31  VAL   CCC CB  1 ? 44 
ATOM   2107 C CG1 . VAL   B 1 32  ? 51.385 6.590   -9.498  1.000 75.795  0 31  VAL   CCC CG1 1 ? 44 
ATOM   2108 C CG2 . VAL   B 1 32  ? 49.356 7.743   -10.415 1.000 71.905  0 31  VAL   CCC CG2 1 ? 44 
ATOM   2109 N N   . GLY   B 1 33  ? 49.545 3.603   -8.380  1.000 77.988  0 32  GLY   CCC N   1 ? 44 
ATOM   2110 C CA  . GLY   B 1 33  ? 50.066 2.436   -7.649  1.000 80.403  0 32  GLY   CCC CA  1 ? 44 
ATOM   2111 C C   . GLY   B 1 33  ? 50.016 1.179   -8.502  1.000 80.283  0 32  GLY   CCC C   1 ? 44 
ATOM   2112 O O   . GLY   B 1 33  ? 51.022 0.444   -8.540  1.000 79.937  0 32  GLY   CCC O   1 ? 44 
ATOM   2113 N N   . GLU   B 1 34  ? 48.886 0.939   -9.170  1.000 81.239  0 33  GLU   CCC N   1 ? 44 
ATOM   2114 C CA  . GLU   B 1 34  ? 48.670 -0.265  -10.019 1.000 84.591  0 33  GLU   CCC CA  1 ? 44 
ATOM   2115 C C   . GLU   B 1 34  ? 49.561 -0.196  -11.261 1.000 82.160  0 33  GLU   CCC C   1 ? 44 
ATOM   2116 O O   . GLU   B 1 34  ? 50.078 -1.257  -11.650 1.000 84.780  0 33  GLU   CCC O   1 ? 44 
ATOM   2117 C CB  . GLU   B 1 34  ? 47.200 -0.408  -10.402 1.000 87.955  0 33  GLU   CCC CB  1 ? 44 
ATOM   2118 C CG  . GLU   B 1 34  ? 46.339 -0.813  -9.223  1.000 95.830  0 33  GLU   CCC CG  1 ? 44 
ATOM   2119 C CD  . GLU   B 1 34  ? 44.865 -0.984  -9.530  1.000 100.174 0 33  GLU   CCC CD  1 ? 44 
ATOM   2120 O OE1 . GLU   B 1 34  ? 44.554 -1.537  -10.610 1.000 101.244 0 33  GLU   CCC OE1 1 ? 44 
ATOM   2121 O OE2 . GLU   B 1 34  ? 44.032 -0.560  -8.687  1.000 106.375 0 33  GLU   CCC OE2 1 ? 44 
ATOM   2122 N N   . ALA   B 1 35  ? 49.731 0.987   -11.859 1.000 77.356  0 34  ALA   CCC N   1 ? 44 
ATOM   2123 C CA  . ALA   B 1 35  ? 50.624 1.189   -13.023 1.000 78.631  0 34  ALA   CCC CA  1 ? 44 
ATOM   2124 C C   . ALA   B 1 35  ? 52.059 0.805   -12.629 1.000 81.090  0 34  ALA   CCC C   1 ? 44 
ATOM   2125 O O   . ALA   B 1 35  ? 52.699 0.044   -13.389 1.000 80.023  0 34  ALA   CCC O   1 ? 44 
ATOM   2126 C CB  . ALA   B 1 35  ? 50.528 2.612   -13.519 1.000 74.258  0 34  ALA   CCC CB  1 ? 44 
ATOM   2127 N N   . GLN   B 1 36  ? 52.533 1.294   -11.476 1.000 84.114  0 35  GLN   CCC N   1 ? 45 
ATOM   2128 C CA  . GLN   B 1 36  ? 53.908 1.024   -10.967 1.000 86.759  0 35  GLN   CCC CA  1 ? 45 
ATOM   2129 C C   . GLN   B 1 36  ? 54.077 -0.482  -10.759 1.000 86.707  0 35  GLN   CCC C   1 ? 45 
ATOM   2130 O O   . GLN   B 1 36  ? 55.128 -1.017  -11.151 1.000 86.233  0 35  GLN   CCC O   1 ? 45 
ATOM   2131 C CB  . GLN   B 1 36  ? 54.173 1.765   -9.656  1.000 89.705  0 35  GLN   CCC CB  1 ? 45 
ATOM   2132 C CG  . GLN   B 1 36  ? 54.391 3.259   -9.842  1.000 91.480  0 35  GLN   CCC CG  1 ? 45 
ATOM   2133 C CD  . GLN   B 1 36  ? 54.441 4.018   -8.539  1.000 93.561  0 35  GLN   CCC CD  1 ? 45 
ATOM   2134 O OE1 . GLN   B 1 36  ? 54.020 3.536   -7.486  1.000 94.529  0 35  GLN   CCC OE1 1 ? 45 
ATOM   2135 N NE2 . GLN   B 1 36  ? 54.932 5.243   -8.615  1.000 95.299  0 35  GLN   CCC NE2 1 ? 45 
ATOM   2136 N N   . GLN   B 1 37  ? 53.068 -1.122  -10.164 1.000 87.059  0 36  GLN   CCC N   1 ? 45 
ATOM   2137 C CA  . GLN   B 1 37  ? 53.027 -2.588  -9.927  1.000 89.091  0 36  GLN   CCC CA  1 ? 45 
ATOM   2138 C C   . GLN   B 1 37  ? 53.262 -3.305  -11.262 1.000 89.314  0 36  GLN   CCC C   1 ? 45 
ATOM   2139 O O   . GLN   B 1 37  ? 54.258 -4.040  -11.373 1.000 88.796  0 36  GLN   CCC O   1 ? 45 
ATOM   2140 C CB  . GLN   B 1 37  ? 51.681 -2.974  -9.310  1.000 92.285  0 36  GLN   CCC CB  1 ? 45 
ATOM   2141 C CG  . GLN   B 1 37  ? 51.483 -4.468  -9.103  1.000 95.700  0 36  GLN   CCC CG  1 ? 45 
ATOM   2142 C CD  . GLN   B 1 37  ? 52.214 -4.974  -7.884  1.000 99.267  0 36  GLN   CCC CD  1 ? 45 
ATOM   2143 O OE1 . GLN   B 1 37  ? 52.273 -4.305  -6.852  1.000 100.175 0 36  GLN   CCC OE1 1 ? 45 
ATOM   2144 N NE2 . GLN   B 1 37  ? 52.759 -6.178  -7.984  1.000 101.536 0 36  GLN   CCC NE2 1 ? 45 
ATOM   2145 N N   . LEU   B 1 38  ? 52.377 -3.082  -12.238 1.000 88.609  0 37  LEU   CCC N   1 ? 45 
ATOM   2146 C CA  . LEU   B 1 38  ? 52.367 -3.817  -13.532 1.000 85.346  0 37  LEU   CCC CA  1 ? 45 
ATOM   2147 C C   . LEU   B 1 38  ? 53.685 -3.573  -14.269 1.000 84.686  0 37  LEU   CCC C   1 ? 45 
ATOM   2148 O O   . LEU   B 1 38  ? 54.233 -4.542  -14.814 1.000 84.115  0 37  LEU   CCC O   1 ? 45 
ATOM   2149 C CB  . LEU   B 1 38  ? 51.167 -3.367  -14.366 1.000 86.098  0 37  LEU   CCC CB  1 ? 45 
ATOM   2150 C CG  . LEU   B 1 38  ? 49.803 -3.769  -13.804 1.000 87.186  0 37  LEU   CCC CG  1 ? 45 
ATOM   2151 C CD1 . LEU   B 1 38  ? 48.682 -3.360  -14.744 1.000 88.886  0 37  LEU   CCC CD1 1 ? 45 
ATOM   2152 C CD2 . LEU   B 1 38  ? 49.750 -5.263  -13.541 1.000 88.527  0 37  LEU   CCC CD2 1 ? 45 
ATOM   2153 N N   . MET   B 1 39  ? 54.187 -2.337  -14.269 1.000 84.983  0 38  MET   CCC N   1 ? 45 
ATOM   2154 C CA  . MET   B 1 39  ? 55.472 -1.989  -14.933 1.000 87.073  0 38  MET   CCC CA  1 ? 45 
ATOM   2155 C C   . MET   B 1 39  ? 56.623 -2.692  -14.198 1.000 90.732  0 38  MET   CCC C   1 ? 45 
ATOM   2156 O O   . MET   B 1 39  ? 57.510 -3.234  -14.884 1.000 93.359  0 38  MET   CCC O   1 ? 45 
ATOM   2157 C CB  . MET   B 1 39  ? 55.682 -0.474  -14.968 1.000 87.001  0 38  MET   CCC CB  1 ? 45 
ATOM   2158 C CG  . MET   B 1 39  ? 54.706 0.218   -15.912 1.000 86.836  0 38  MET   CCC CG  1 ? 45 
ATOM   2159 S SD  . MET   B 1 39  ? 54.632 2.015   -15.702 1.000 85.022  0 38  MET   CCC SD  1 ? 45 
ATOM   2160 C CE  . MET   B 1 39  ? 56.226 2.448   -16.401 1.000 85.656  0 38  MET   CCC CE  1 ? 45 
ATOM   2161 N N   . GLY   B 1 40  ? 56.580 -2.723  -12.860 1.000 94.026  0 39  GLY   CCC N   1 ? 45 
ATOM   2162 C CA  . GLY   B 1 40  ? 57.539 -3.447  -11.998 1.000 99.290  0 39  GLY   CCC CA  1 ? 45 
ATOM   2163 C C   . GLY   B 1 40  ? 57.612 -4.933  -12.331 1.000 102.434 0 39  GLY   CCC C   1 ? 45 
ATOM   2164 O O   . GLY   B 1 40  ? 58.726 -5.476  -12.339 1.000 104.581 0 39  GLY   CCC O   1 ? 45 
ATOM   2165 N N   . GLU   B 1 41  ? 56.466 -5.567  -12.604 1.000 103.973 0 40  GLU   CCC N   1 ? 45 
ATOM   2166 C CA  . GLU   B 1 41  ? 56.361 -6.989  -13.038 1.000 106.205 0 40  GLU   CCC CA  1 ? 45 
ATOM   2167 C C   . GLU   B 1 41  ? 56.778 -7.148  -14.511 1.000 109.347 0 40  GLU   CCC C   1 ? 45 
ATOM   2168 O O   . GLU   B 1 41  ? 56.773 -8.296  -14.994 1.000 111.442 0 40  GLU   CCC O   1 ? 45 
ATOM   2169 C CB  . GLU   B 1 41  ? 54.926 -7.503  -12.889 1.000 105.202 0 40  GLU   CCC CB  1 ? 45 
ATOM   2170 C CG  . GLU   B 1 41  ? 54.414 -7.546  -11.460 1.000 105.653 0 40  GLU   CCC CG  1 ? 45 
ATOM   2171 C CD  . GLU   B 1 41  ? 52.966 -8.004  -11.340 1.000 106.484 0 40  GLU   CCC CD  1 ? 45 
ATOM   2172 O OE1 . GLU   B 1 41  ? 52.443 -8.587  -12.312 1.000 107.253 0 40  GLU   CCC OE1 1 ? 45 
ATOM   2173 O OE2 . GLU   B 1 41  ? 52.355 -7.760  -10.285 1.000 106.182 0 40  GLU   CCC OE2 1 ? 45 
ATOM   2174 N N   . ARG   B 1 42  ? 57.094 -6.052  -15.211 1.000 111.083 0 41  ARG   CCC N   1 ? 45 
ATOM   2175 C CA  . ARG   B 1 42  ? 57.364 -6.026  -16.676 1.000 113.194 0 41  ARG   CCC CA  1 ? 45 
ATOM   2176 C C   . ARG   B 1 42  ? 56.169 -6.631  -17.421 1.000 112.261 0 41  ARG   CCC C   1 ? 45 
ATOM   2177 O O   . ARG   B 1 42  ? 56.388 -7.393  -18.376 1.000 110.885 0 41  ARG   CCC O   1 ? 45 
ATOM   2178 C CB  . ARG   B 1 42  ? 58.662 -6.772  -17.006 1.000 117.987 0 41  ARG   CCC CB  1 ? 45 
ATOM   2179 C CG  . ARG   B 1 42  ? 59.860 -6.341  -16.170 1.000 122.358 0 41  ARG   CCC CG  1 ? 45 
ATOM   2180 C CD  . ARG   B 1 42  ? 60.187 -4.859  -16.283 1.000 123.360 0 41  ARG   CCC CD  1 ? 45 
ATOM   2181 N NE  . ARG   B 1 42  ? 61.624 -4.611  -16.377 1.000 126.979 0 41  ARG   CCC NE  1 ? 45 
ATOM   2182 C CZ  . ARG   B 1 42  ? 62.376 -4.851  -17.455 1.000 128.188 0 41  ARG   CCC CZ  1 ? 45 
ATOM   2183 N NH1 . ARG   B 1 42  ? 61.841 -5.362  -18.553 1.000 128.090 0 41  ARG   CCC NH1 1 ? 45 
ATOM   2184 N NH2 . ARG   B 1 42  ? 63.670 -4.584  -17.430 1.000 130.117 0 41  ARG   CCC NH2 1 ? 45 
ATOM   2185 N N   . CYS   B 1 43  ? 54.955 -6.295  -16.984 1.000 111.318 0 42  CYS   CCC N   1 ? 45 
ATOM   2186 C CA  . CYS   B 1 43  ? 53.671 -6.764  -17.565 1.000 110.478 0 42  CYS   CCC CA  1 ? 45 
ATOM   2187 C C   . CYS   B 1 43  ? 53.540 -6.219  -18.984 1.000 106.292 0 42  CYS   CCC C   1 ? 45 
ATOM   2188 O O   . CYS   B 1 43  ? 53.667 -5.020  -19.198 1.000 105.689 0 42  CYS   CCC O   1 ? 45 
ATOM   2189 C CB  . CYS   B 1 43  ? 52.507 -6.295  -16.702 1.000 113.080 0 42  CYS   CCC CB  1 ? 45 
ATOM   2190 S SG  . CYS   B 1 43  ? 50.909 -6.940  -17.238 1.000 120.702 0 42  CYS   CCC SG  1 ? 45 
ATOM   2191 N N   . PRO   B 1 44  ? 53.329 -7.068  -20.015 1.000 100.345 0 43  PRO   CCC N   1 ? 46 
ATOM   2192 C CA  . PRO   B 1 44  ? 53.074 -6.564  -21.365 1.000 95.619  0 43  PRO   CCC CA  1 ? 46 
ATOM   2193 C C   . PRO   B 1 44  ? 51.749 -5.786  -21.433 1.000 90.288  0 43  PRO   CCC C   1 ? 46 
ATOM   2194 O O   . PRO   B 1 44  ? 50.842 -6.041  -20.652 1.000 89.084  0 43  PRO   CCC O   1 ? 46 
ATOM   2195 C CB  . PRO   B 1 44  ? 53.038 -7.820  -22.246 1.000 97.890  0 43  PRO   CCC CB  1 ? 46 
ATOM   2196 C CG  . PRO   B 1 44  ? 53.689 -8.898  -21.399 1.000 99.817  0 43  PRO   CCC CG  1 ? 46 
ATOM   2197 C CD  . PRO   B 1 44  ? 53.356 -8.537  -19.962 1.000 100.052 0 43  PRO   CCC CD  1 ? 46 
ATOM   2198 N N   . ALA   B 1 45  ? 51.670 -4.851  -22.375 1.000 84.978  0 44  ALA   CCC N   1 ? 46 
ATOM   2199 C CA  . ALA   B 1 45  ? 50.537 -3.918  -22.553 1.000 82.952  0 44  ALA   CCC CA  1 ? 46 
ATOM   2200 C C   . ALA   B 1 45  ? 49.236 -4.668  -22.873 1.000 80.689  0 44  ALA   CCC C   1 ? 46 
ATOM   2201 O O   . ALA   B 1 45  ? 48.172 -4.100  -22.619 1.000 78.609  0 44  ALA   CCC O   1 ? 46 
ATOM   2202 C CB  . ALA   B 1 45  ? 50.875 -2.920  -23.630 1.000 83.615  0 44  ALA   CCC CB  1 ? 46 
ATOM   2203 N N   . ASP   B 1 46  ? 49.294 -5.894  -23.406 1.000 81.743  0 45  ASP   CCC N   1 ? 46 
ATOM   2204 C CA  . ASP   B 1 46  ? 48.080 -6.663  -23.813 1.000 82.852  0 45  ASP   CCC CA  1 ? 46 
ATOM   2205 C C   . ASP   B 1 46  ? 47.615 -7.628  -22.710 1.000 81.598  0 45  ASP   CCC C   1 ? 46 
ATOM   2206 O O   . ASP   B 1 46  ? 46.645 -8.354  -22.951 1.000 83.599  0 45  ASP   CCC O   1 ? 46 
ATOM   2207 C CB  . ASP   B 1 46  ? 48.291 -7.401  -25.135 1.000 84.181  0 45  ASP   CCC CB  1 ? 46 
ATOM   2208 C CG  . ASP   B 1 46  ? 49.469 -8.354  -25.160 1.000 85.489  0 45  ASP   CCC CG  1 ? 46 
ATOM   2209 O OD1 . ASP   B 1 46  ? 50.095 -8.560  -24.119 1.000 88.560  0 45  ASP   CCC OD1 1 ? 46 
ATOM   2210 O OD2 . ASP   B 1 46  ? 49.801 -8.828  -26.257 1.000 88.724  0 45  ASP   CCC OD2 1 ? 46 
ATOM   2211 N N   . GLU   B 1 47  ? 48.250 -7.611  -21.541 1.000 83.306  0 46  GLU   CCC N   1 ? 46 
ATOM   2212 C CA  . GLU   B 1 47  ? 47.818 -8.403  -20.360 1.000 87.867  0 46  GLU   CCC CA  1 ? 46 
ATOM   2213 C C   . GLU   B 1 47  ? 46.470 -7.872  -19.881 1.000 88.134  0 46  GLU   CCC C   1 ? 46 
ATOM   2214 O O   . GLU   B 1 47  ? 46.257 -6.665  -19.859 1.000 87.810  0 46  GLU   CCC O   1 ? 46 
ATOM   2215 C CB  . GLU   B 1 47  ? 48.877 -8.336  -19.264 1.000 91.361  0 46  GLU   CCC CB  1 ? 46 
ATOM   2216 C CG  . GLU   B 1 47  ? 49.031 -9.635  -18.481 1.000 96.011  0 46  GLU   CCC CG  1 ? 46 
ATOM   2217 C CD  . GLU   B 1 47  ? 48.511 -9.645  -17.050 1.000 97.895  0 46  GLU   CCC CD  1 ? 46 
ATOM   2218 O OE1 . GLU   B 1 47  ? 49.186 -10.251 -16.192 1.000 99.948  0 46  GLU   CCC OE1 1 ? 46 
ATOM   2219 O OE2 . GLU   B 1 47  ? 47.433 -9.066  -16.796 1.000 99.689  0 46  GLU   CCC OE2 1 ? 46 
ATOM   2220 N N   . PRO   B 1 48  ? 45.498 -8.744  -19.520 1.000 89.216  0 47  PRO   CCC N   1 ? 46 
ATOM   2221 C CA  . PRO   B 1 48  ? 44.185 -8.282  -19.066 1.000 87.162  0 47  PRO   CCC CA  1 ? 46 
ATOM   2222 C C   . PRO   B 1 48  ? 44.208 -7.189  -17.986 1.000 82.871  0 47  PRO   CCC C   1 ? 46 
ATOM   2223 O O   . PRO   B 1 48  ? 43.378 -6.317  -18.062 1.000 80.334  0 47  PRO   CCC O   1 ? 46 
ATOM   2224 C CB  . PRO   B 1 48  ? 43.549 -9.562  -18.506 1.000 91.046  0 47  PRO   CCC CB  1 ? 46 
ATOM   2225 C CG  . PRO   B 1 48  ? 44.149 -10.661 -19.352 1.000 92.698  0 47  PRO   CCC CG  1 ? 46 
ATOM   2226 C CD  . PRO   B 1 48  ? 45.577 -10.214 -19.582 1.000 91.148  0 47  PRO   CCC CD  1 ? 46 
ATOM   2227 N N   . ARG   B 1 49  ? 45.122 -7.269  -17.012 1.000 82.027  0 48  ARG   CCC N   1 ? 46 
ATOM   2228 C CA  . ARG   B 1 49  ? 45.232 -6.275  -15.908 1.000 83.314  0 48  ARG   CCC CA  1 ? 46 
ATOM   2229 C C   . ARG   B 1 49  ? 45.663 -4.915  -16.475 1.000 79.068  0 48  ARG   CCC C   1 ? 46 
ATOM   2230 O O   . ARG   B 1 49  ? 45.204 -3.897  -15.939 1.000 76.842  0 48  ARG   CCC O   1 ? 46 
ATOM   2231 C CB  . ARG   B 1 49  ? 46.224 -6.729  -14.831 1.000 87.096  0 48  ARG   CCC CB  1 ? 46 
ATOM   2232 C CG  . ARG   B 1 49  ? 45.627 -7.593  -13.725 1.000 90.462  0 48  ARG   CCC CG  1 ? 46 
ATOM   2233 C CD  . ARG   B 1 49  ? 46.667 -7.899  -12.648 1.000 92.960  0 48  ARG   CCC CD  1 ? 46 
ATOM   2234 N NE  . ARG   B 1 49  ? 47.816 -8.575  -13.241 1.000 92.433  0 48  ARG   CCC NE  1 ? 46 
ATOM   2235 C CZ  . ARG   B 1 49  ? 49.045 -8.647  -12.725 1.000 93.241  0 48  ARG   CCC CZ  1 ? 46 
ATOM   2236 N NH1 . ARG   B 1 49  ? 49.346 -8.089  -11.562 1.000 93.952  0 48  ARG   CCC NH1 1 ? 46 
ATOM   2237 N NH2 . ARG   B 1 49  ? 49.987 -9.284  -13.399 1.000 92.576  0 48  ARG   CCC NH2 1 ? 46 
ATOM   2238 N N   . ALA   B 1 50  ? 46.543 -4.900  -17.482 1.000 68.401  0 49  ALA   CCC N   1 ? 47 
ATOM   2239 C CA  . ALA   B 1 50  ? 47.057 -3.664  -18.129 1.000 65.265  0 49  ALA   CCC CA  1 ? 47 
ATOM   2240 C C   . ALA   B 1 50  ? 45.908 -2.985  -18.882 1.000 61.259  0 49  ALA   CCC C   1 ? 47 
ATOM   2241 O O   . ALA   B 1 50  ? 45.732 -1.770  -18.729 1.000 59.899  0 49  ALA   CCC O   1 ? 47 
ATOM   2242 C CB  . ALA   B 1 50  ? 48.212 -3.983  -19.050 1.000 65.184  0 49  ALA   CCC CB  1 ? 47 
ATOM   2243 N N   . ILE   B 1 51  ? 45.149 -3.769  -19.643 1.000 60.165  0 50  ILE   CCC N   1 ? 47 
ATOM   2244 C CA  . ILE   B 1 51  ? 43.981 -3.312  -20.450 1.000 60.337  0 50  ILE   CCC CA  1 ? 47 
ATOM   2245 C C   . ILE   B 1 51  ? 42.908 -2.750  -19.506 1.000 59.939  0 50  ILE   CCC C   1 ? 47 
ATOM   2246 O O   . ILE   B 1 51  ? 42.409 -1.643  -19.769 1.000 60.365  0 50  ILE   CCC O   1 ? 47 
ATOM   2247 C CB  . ILE   B 1 51  ? 43.469 -4.460  -21.344 1.000 61.177  0 50  ILE   CCC CB  1 ? 47 
ATOM   2248 C CG1 . ILE   B 1 51  ? 44.441 -4.730  -22.495 1.000 63.193  0 50  ILE   CCC CG1 1 ? 47 
ATOM   2249 C CG2 . ILE   B 1 51  ? 42.070 -4.172  -21.858 1.000 62.627  0 50  ILE   CCC CG2 1 ? 47 
ATOM   2250 C CD1 . ILE   B 1 51  ? 44.195 -6.025  -23.242 1.000 66.069  0 50  ILE   CCC CD1 1 ? 47 
ATOM   2251 N N   . ALA   B 1 52  ? 42.563 -3.477  -18.445 1.000 58.977  0 51  ALA   CCC N   1 ? 47 
ATOM   2252 C CA  . ALA   B 1 52  ? 41.547 -3.051  -17.450 1.000 60.444  0 51  ALA   CCC CA  1 ? 47 
ATOM   2253 C C   . ALA   B 1 52  ? 41.980 -1.725  -16.803 1.000 58.569  0 51  ALA   CCC C   1 ? 47 
ATOM   2254 O O   . ALA   B 1 52  ? 41.144 -0.801  -16.721 1.000 57.868  0 51  ALA   CCC O   1 ? 47 
ATOM   2255 C CB  . ALA   B 1 52  ? 41.320 -4.135  -16.418 1.000 59.802  0 51  ALA   CCC CB  1 ? 47 
ATOM   2256 N N   . LEU   B 1 53  ? 43.239 -1.626  -16.374 1.000 57.898  0 52  LEU   CCC N   1 ? 47 
ATOM   2257 C CA  . LEU   B 1 53  ? 43.796 -0.392  -15.750 1.000 59.329  0 52  LEU   CCC CA  1 ? 47 
ATOM   2258 C C   . LEU   B 1 53  ? 43.666 0.790   -16.719 1.000 57.456  0 52  LEU   CCC C   1 ? 47 
ATOM   2259 O O   . LEU   B 1 53  ? 43.102 1.829   -16.316 1.000 59.265  0 52  LEU   CCC O   1 ? 47 
ATOM   2260 C CB  . LEU   B 1 53  ? 45.267 -0.612  -15.382 1.000 60.529  0 52  LEU   CCC CB  1 ? 47 
ATOM   2261 C CG  . LEU   B 1 53  ? 45.966 0.616   -14.810 1.000 60.978  0 52  LEU   CCC CG  1 ? 47 
ATOM   2262 C CD1 . LEU   B 1 53  ? 45.295 1.061   -13.530 1.000 62.226  0 52  LEU   CCC CD1 1 ? 47 
ATOM   2263 C CD2 . LEU   B 1 53  ? 47.439 0.341   -14.574 1.000 62.680  0 52  LEU   CCC CD2 1 ? 47 
ATOM   2264 N N   . ALA   B 1 54  ? 44.170 0.638   -17.945 1.000 54.437  0 53  ALA   CCC N   1 ? 47 
ATOM   2265 C CA  . ALA   B 1 54  ? 44.181 1.699   -18.973 1.000 54.903  0 53  ALA   CCC CA  1 ? 47 
ATOM   2266 C C   . ALA   B 1 54  ? 42.753 2.211   -19.189 1.000 56.648  0 53  ALA   CCC C   1 ? 47 
ATOM   2267 O O   . ALA   B 1 54  ? 42.578 3.425   -19.323 1.000 55.314  0 53  ALA   CCC O   1 ? 47 
ATOM   2268 C CB  . ALA   B 1 54  ? 44.789 1.187   -20.264 1.000 55.689  0 53  ALA   CCC CB  1 ? 47 
ATOM   2269 N N   . THR   B 1 55  ? 41.762 1.317   -19.233 1.000 60.257  0 54  THR   CCC N   1 ? 47 
ATOM   2270 C CA  . THR   B 1 55  ? 40.340 1.674   -19.467 1.000 63.454  0 54  THR   CCC CA  1 ? 47 
ATOM   2271 C C   . THR   B 1 55  ? 39.868 2.580   -18.325 1.000 64.998  0 54  THR   CCC C   1 ? 47 
ATOM   2272 O O   . THR   B 1 55  ? 39.344 3.662   -18.619 1.000 65.222  0 54  THR   CCC O   1 ? 47 
ATOM   2273 C CB  . THR   B 1 55  ? 39.494 0.408   -19.660 1.000 65.344  0 54  THR   CCC CB  1 ? 47 
ATOM   2274 O OG1 . THR   B 1 55  ? 40.007 -0.238  -20.833 1.000 70.164  0 54  THR   CCC OG1 1 ? 47 
ATOM   2275 C CG2 . THR   B 1 55  ? 38.012 0.684   -19.799 1.000 67.480  0 54  THR   CCC CG2 1 ? 47 
ATOM   2276 N N   . ARG   B 1 56  ? 40.037 2.146   -17.071 1.000 67.100  0 55  ARG   CCC N   1 ? 47 
ATOM   2277 C CA  . ARG   B 1 56  ? 39.644 2.930   -15.868 1.000 69.158  0 55  ARG   CCC CA  1 ? 47 
ATOM   2278 C C   . ARG   B 1 56  ? 40.389 4.268   -15.877 1.000 65.021  0 55  ARG   CCC C   1 ? 47 
ATOM   2279 O O   . ARG   B 1 56  ? 39.761 5.287   -15.611 1.000 66.324  0 55  ARG   CCC O   1 ? 47 
ATOM   2280 C CB  . ARG   B 1 56  ? 39.993 2.189   -14.576 1.000 72.728  0 55  ARG   CCC CB  1 ? 47 
ATOM   2281 C CG  . ARG   B 1 56  ? 38.881 1.304   -14.034 1.000 78.072  0 55  ARG   CCC CG  1 ? 47 
ATOM   2282 C CD  . ARG   B 1 56  ? 39.215 0.802   -12.640 1.000 81.984  0 55  ARG   CCC CD  1 ? 47 
ATOM   2283 N NE  . ARG   B 1 56  ? 40.434 -0.002  -12.652 1.000 84.028  0 55  ARG   CCC NE  1 ? 47 
ATOM   2284 C CZ  . ARG   B 1 56  ? 41.468 0.123   -11.818 1.000 85.394  0 55  ARG   CCC CZ  1 ? 47 
ATOM   2285 N NH1 . ARG   B 1 56  ? 41.459 1.017   -10.839 1.000 86.621  0 55  ARG   CCC NH1 1 ? 47 
ATOM   2286 N NH2 . ARG   B 1 56  ? 42.513 -0.670  -11.976 1.000 84.104  0 55  ARG   CCC NH2 1 ? 47 
ATOM   2287 N N   . TRP   B 1 57  ? 41.691 4.229   -16.137 1.000 60.818  0 56  TRP   CCC N   1 ? 47 
ATOM   2288 C CA  . TRP   B 1 57  ? 42.585 5.411   -16.182 1.000 59.741  0 56  TRP   CCC CA  1 ? 47 
ATOM   2289 C C   . TRP   B 1 57  ? 42.011 6.451   -17.149 1.000 58.624  0 56  TRP   CCC C   1 ? 47 
ATOM   2290 O O   . TRP   B 1 57  ? 41.785 7.607   -16.731 1.000 58.642  0 56  TRP   CCC O   1 ? 47 
ATOM   2291 C CB  . TRP   B 1 57  ? 43.993 4.953   -16.562 1.000 60.743  0 56  TRP   CCC CB  1 ? 47 
ATOM   2292 C CG  . TRP   B 1 57  ? 45.050 6.013   -16.605 1.000 61.943  0 56  TRP   CCC CG  1 ? 47 
ATOM   2293 C CD1 . TRP   B 1 57  ? 45.111 7.080   -17.451 1.000 61.917  0 56  TRP   CCC CD1 1 ? 47 
ATOM   2294 C CD2 . TRP   B 1 57  ? 46.274 6.036   -15.846 1.000 62.679  0 56  TRP   CCC CD2 1 ? 47 
ATOM   2295 N NE1 . TRP   B 1 57  ? 46.269 7.780   -17.248 1.000 62.027  0 56  TRP   CCC NE1 1 ? 47 
ATOM   2296 C CE2 . TRP   B 1 57  ? 47.004 7.163   -16.274 1.000 62.779  0 56  TRP   CCC CE2 1 ? 47 
ATOM   2297 C CE3 . TRP   B 1 57  ? 46.829 5.214   -14.858 1.000 64.063  0 56  TRP   CCC CE3 1 ? 47 
ATOM   2298 C CZ2 . TRP   B 1 57  ? 48.240 7.502   -15.732 1.000 65.025  0 56  TRP   CCC CZ2 1 ? 47 
ATOM   2299 C CZ3 . TRP   B 1 57  ? 48.050 5.552   -14.313 1.000 65.808  0 56  TRP   CCC CZ3 1 ? 47 
ATOM   2300 C CH2 . TRP   B 1 57  ? 48.744 6.679   -14.752 1.000 66.334  0 56  TRP   CCC CH2 1 ? 47 
ATOM   2301 N N   A MET   B 1 58  ? 41.741 6.047   -18.390 0.500 57.749  0 57  MET   CCC N   1 ? 47 
ATOM   2302 N N   B MET   B 1 58  ? 41.743 6.048   -18.391 0.500 57.271  0 57  MET   CCC N   1 ? 47 
ATOM   2303 C CA  A MET   B 1 58  ? 41.257 6.962   -19.458 0.500 58.809  0 57  MET   CCC CA  1 ? 47 
ATOM   2304 C CA  B MET   B 1 58  ? 41.261 6.965   -19.457 0.500 58.029  0 57  MET   CCC CA  1 ? 47 
ATOM   2305 C C   A MET   B 1 58  ? 39.863 7.488   -19.085 0.500 59.403  0 57  MET   CCC C   1 ? 47 
ATOM   2306 C C   B MET   B 1 58  ? 39.865 7.488   -19.086 0.500 58.943  0 57  MET   CCC C   1 ? 47 
ATOM   2307 O O   A MET   B 1 58  ? 39.598 8.679   -19.314 0.500 58.940  0 57  MET   CCC O   1 ? 47 
ATOM   2308 O O   B MET   B 1 58  ? 39.603 8.683   -19.313 0.500 58.497  0 57  MET   CCC O   1 ? 47 
ATOM   2309 C CB  A MET   B 1 58  ? 41.220 6.268   -20.830 0.500 59.062  0 57  MET   CCC CB  1 ? 47 
ATOM   2310 C CB  B MET   B 1 58  ? 41.236 6.270   -20.827 0.500 57.693  0 57  MET   CCC CB  1 ? 47 
ATOM   2311 C CG  A MET   B 1 58  ? 42.596 5.990   -21.362 0.500 58.539  0 57  MET   CCC CG  1 ? 47 
ATOM   2312 C CG  B MET   B 1 58  ? 42.620 5.955   -21.351 0.500 56.731  0 57  MET   CCC CG  1 ? 47 
ATOM   2313 S SD  A MET   B 1 58  ? 43.553 7.516   -21.411 0.500 59.562  0 57  MET   CCC SD  1 ? 47 
ATOM   2314 S SD  B MET   B 1 58  ? 43.735 7.361   -21.148 0.500 56.617  0 57  MET   CCC SD  1 ? 47 
ATOM   2315 C CE  A MET   B 1 58  ? 45.079 6.899   -20.717 0.500 58.291  0 57  MET   CCC CE  1 ? 47 
ATOM   2316 C CE  B MET   B 1 58  ? 43.031 8.509   -22.336 0.500 57.394  0 57  MET   CCC CE  1 ? 47 
ATOM   2317 N N   . GLU   B 1 59  ? 39.009 6.639   -18.514 1.000 60.781  0 58  GLU   CCC N   1 ? 47 
ATOM   2318 C CA  . GLU   B 1 59  ? 37.660 7.058   -18.041 1.000 64.262  0 58  GLU   CCC CA  1 ? 47 
ATOM   2319 C C   . GLU   B 1 59  ? 37.799 8.088   -16.913 1.000 63.331  0 58  GLU   CCC C   1 ? 47 
ATOM   2320 O O   . GLU   B 1 59  ? 37.002 9.031   -16.886 1.000 62.379  0 58  GLU   CCC O   1 ? 47 
ATOM   2321 C CB  . GLU   B 1 59  ? 36.822 5.845   -17.643 1.000 68.345  0 58  GLU   CCC CB  1 ? 47 
ATOM   2322 C CG  . GLU   B 1 59  ? 36.238 5.155   -18.870 1.000 72.483  0 58  GLU   CCC CG  1 ? 47 
ATOM   2323 C CD  . GLU   B 1 59  ? 35.061 4.235   -18.622 1.000 77.984  0 58  GLU   CCC CD  1 ? 47 
ATOM   2324 O OE1 . GLU   B 1 59  ? 35.278 3.168   -18.006 1.000 78.134  0 58  GLU   CCC OE1 1 ? 47 
ATOM   2325 O OE2 . GLU   B 1 59  ? 33.936 4.608   -19.032 1.000 82.703  0 58  GLU   CCC OE2 1 ? 47 
ATOM   2326 N N   . GLN   B 1 60  ? 38.781 7.931   -16.033 1.000 60.880  0 59  GLN   CCC N   1 ? 47 
ATOM   2327 C CA  . GLN   B 1 60  ? 39.042 8.889   -14.931 1.000 64.387  0 59  GLN   CCC CA  1 ? 47 
ATOM   2328 C C   . GLN   B 1 60  ? 39.458 10.231  -15.538 1.000 63.595  0 59  GLN   CCC C   1 ? 47 
ATOM   2329 O O   . GLN   B 1 60  ? 38.914 11.263  -15.097 1.000 62.385  0 59  GLN   CCC O   1 ? 47 
ATOM   2330 C CB  . GLN   B 1 60  ? 40.108 8.336   -13.980 1.000 66.456  0 59  GLN   CCC CB  1 ? 47 
ATOM   2331 C CG  . GLN   B 1 60  ? 40.310 9.167   -12.723 1.000 68.510  0 59  GLN   CCC CG  1 ? 47 
ATOM   2332 C CD  . GLN   B 1 60  ? 39.059 9.226   -11.871 1.000 71.885  0 59  GLN   CCC CD  1 ? 47 
ATOM   2333 O OE1 . GLN   B 1 60  ? 38.280 8.278   -11.770 1.000 75.015  0 59  GLN   CCC OE1 1 ? 47 
ATOM   2334 N NE2 . GLN   B 1 60  ? 38.831 10.369  -11.252 1.000 72.155  0 59  GLN   CCC NE2 1 ? 47 
ATOM   2335 N N   . LEU   B 1 61  ? 40.373 10.213  -16.514 1.000 60.218  0 60  LEU   CCC N   1 ? 47 
ATOM   2336 C CA  . LEU   B 1 61  ? 40.879 11.429  -17.210 1.000 59.442  0 60  LEU   CCC CA  1 ? 47 
ATOM   2337 C C   . LEU   B 1 61  ? 39.707 12.156  -17.879 1.000 60.295  0 60  LEU   CCC C   1 ? 47 
ATOM   2338 O O   . LEU   B 1 61  ? 39.684 13.396  -17.849 1.000 60.714  0 60  LEU   CCC O   1 ? 47 
ATOM   2339 C CB  . LEU   B 1 61  ? 41.936 11.030  -18.242 1.000 58.916  0 60  LEU   CCC CB  1 ? 47 
ATOM   2340 C CG  . LEU   B 1 61  ? 43.372 10.903  -17.738 1.000 59.312  0 60  LEU   CCC CG  1 ? 47 
ATOM   2341 C CD1 . LEU   B 1 61  ? 44.290 10.532  -18.894 1.000 57.993  0 60  LEU   CCC CD1 1 ? 47 
ATOM   2342 C CD2 . LEU   B 1 61  ? 43.846 12.193  -17.066 1.000 61.014  0 60  LEU   CCC CD2 1 ? 47 
ATOM   2343 N N   . GLU   B 1 62  ? 38.778 11.402  -18.465 1.000 62.574  0 61  GLU   CCC N   1 ? 47 
ATOM   2344 C CA  . GLU   B 1 62  ? 37.572 11.916  -19.169 1.000 67.678  0 61  GLU   CCC CA  1 ? 47 
ATOM   2345 C C   . GLU   B 1 62  ? 36.722 12.726  -18.179 1.000 73.155  0 61  GLU   CCC C   1 ? 47 
ATOM   2346 O O   . GLU   B 1 62  ? 36.282 13.848  -18.520 1.000 72.240  0 61  GLU   CCC O   1 ? 47 
ATOM   2347 C CB  . GLU   B 1 62  ? 36.806 10.728  -19.753 1.000 68.741  0 61  GLU   CCC CB  1 ? 47 
ATOM   2348 C CG  . GLU   B 1 62  ? 36.176 10.957  -21.099 1.000 72.420  0 61  GLU   CCC CG  1 ? 47 
ATOM   2349 C CD  . GLU   B 1 62  ? 35.817 9.671   -21.839 1.000 73.371  0 61  GLU   CCC CD  1 ? 47 
ATOM   2350 O OE1 . GLU   B 1 62  ? 35.837 8.602   -21.211 1.000 75.491  0 61  GLU   CCC OE1 1 ? 47 
ATOM   2351 O OE2 . GLU   B 1 62  ? 35.461 9.757   -23.035 1.000 75.933  0 61  GLU   CCC OE2 1 ? 47 
ATOM   2352 N N   . GLN   B 1 63  ? 36.520 12.173  -16.982 1.000 76.009  0 62  GLN   CCC N   1 ? 47 
ATOM   2353 C CA  . GLN   B 1 63  ? 35.748 12.794  -15.874 1.000 80.041  0 62  GLN   CCC CA  1 ? 47 
ATOM   2354 C C   . GLN   B 1 63  ? 36.494 14.039  -15.377 1.000 78.106  0 62  GLN   CCC C   1 ? 47 
ATOM   2355 O O   . GLN   B 1 63  ? 35.863 15.101  -15.266 1.000 80.536  0 62  GLN   CCC O   1 ? 47 
ATOM   2356 C CB  . GLN   B 1 63  ? 35.557 11.763  -14.761 1.000 85.099  0 62  GLN   CCC CB  1 ? 47 
ATOM   2357 C CG  . GLN   B 1 63  ? 34.530 12.161  -13.717 1.000 92.758  0 62  GLN   CCC CG  1 ? 47 
ATOM   2358 C CD  . GLN   B 1 63  ? 34.477 11.162  -12.586 1.000 97.380  0 62  GLN   CCC CD  1 ? 47 
ATOM   2359 O OE1 . GLN   B 1 63  ? 33.569 10.336  -12.514 1.000 100.939 0 62  GLN   CCC OE1 1 ? 47 
ATOM   2360 N NE2 . GLN   B 1 63  ? 35.467 11.219  -11.702 1.000 97.766  0 62  GLN   CCC NE2 1 ? 47 
ATOM   2361 N N   . ASP   B 1 64  ? 37.798 13.915  -15.125 1.000 73.822  0 63  ASP   CCC N   1 ? 47 
ATOM   2362 C CA  . ASP   B 1 64  ? 38.622 14.936  -14.425 1.000 72.604  0 63  ASP   CCC CA  1 ? 47 
ATOM   2363 C C   . ASP   B 1 64  ? 39.023 16.088  -15.357 1.000 70.061  0 63  ASP   CCC C   1 ? 47 
ATOM   2364 O O   . ASP   B 1 64  ? 39.581 17.072  -14.841 1.000 68.787  0 63  ASP   CCC O   1 ? 47 
ATOM   2365 C CB  . ASP   B 1 64  ? 39.830 14.269  -13.769 1.000 73.555  0 63  ASP   CCC CB  1 ? 47 
ATOM   2366 C CG  . ASP   B 1 64  ? 39.437 13.336  -12.634 1.000 74.896  0 63  ASP   CCC CG  1 ? 47 
ATOM   2367 O OD1 . ASP   B 1 64  ? 38.244 13.367  -12.226 1.000 78.202  0 63  ASP   CCC OD1 1 ? 47 
ATOM   2368 O OD2 . ASP   B 1 64  ? 40.317 12.596  -12.155 1.000 75.016  0 63  ASP   CCC OD2 1 ? 47 
ATOM   2369 N N   . THR   B 1 65  ? 38.744 15.985  -16.658 1.000 68.309  0 64  THR   CCC N   1 ? 48 
ATOM   2370 C CA  . THR   B 1 65  ? 38.883 17.085  -17.650 1.000 66.224  0 64  THR   CCC CA  1 ? 48 
ATOM   2371 C C   . THR   B 1 65  ? 37.494 17.613  -18.039 1.000 67.850  0 64  THR   CCC C   1 ? 48 
ATOM   2372 O O   . THR   B 1 65  ? 37.431 18.456  -18.957 1.000 70.405  0 64  THR   CCC O   1 ? 48 
ATOM   2373 C CB  . THR   B 1 65  ? 39.637 16.603  -18.895 1.000 64.301  0 64  THR   CCC CB  1 ? 48 
ATOM   2374 O OG1 . THR   B 1 65  ? 38.956 15.467  -19.432 1.000 61.121  0 64  THR   CCC OG1 1 ? 48 
ATOM   2375 C CG2 . THR   B 1 65  ? 41.082 16.264  -18.604 1.000 64.637  0 64  THR   CCC CG2 1 ? 48 
ATOM   2376 N N   . ALA   B 1 66  ? 36.433 17.115  -17.395 1.000 67.103  0 65  ALA   CCC N   1 ? 48 
ATOM   2377 C CA  . ALA   B 1 66  ? 35.018 17.486  -17.637 1.000 69.858  0 65  ALA   CCC CA  1 ? 48 
ATOM   2378 C C   . ALA   B 1 66  ? 34.655 17.263  -19.109 1.000 69.331  0 65  ALA   CCC C   1 ? 48 
ATOM   2379 O O   . ALA   B 1 66  ? 33.908 18.091  -19.672 1.000 70.446  0 65  ALA   CCC O   1 ? 48 
ATOM   2380 C CB  . ALA   B 1 66  ? 34.780 18.918  -17.226 1.000 72.191  0 65  ALA   CCC CB  1 ? 48 
ATOM   2381 N N   . GLY   B 1 67  ? 35.175 16.189  -19.709 1.000 68.849  0 66  GLY   CCC N   1 ? 48 
ATOM   2382 C CA  . GLY   B 1 67  ? 34.873 15.805  -21.104 1.000 69.041  0 66  GLY   CCC CA  1 ? 48 
ATOM   2383 C C   . GLY   B 1 67  ? 35.413 16.798  -22.119 1.000 68.274  0 66  GLY   CCC C   1 ? 48 
ATOM   2384 O O   . GLY   B 1 67  ? 34.931 16.762  -23.267 1.000 71.510  0 66  GLY   CCC O   1 ? 48 
ATOM   2385 N N   . ARG   B 1 68  ? 36.383 17.635  -21.736 1.000 69.384  0 67  ARG   CCC N   1 ? 48 
ATOM   2386 C CA  . ARG   B 1 68  ? 37.015 18.637  -22.632 1.000 69.751  0 67  ARG   CCC CA  1 ? 48 
ATOM   2387 C C   . ARG   B 1 68  ? 38.341 18.060  -23.120 1.000 64.983  0 67  ARG   CCC C   1 ? 48 
ATOM   2388 O O   . ARG   B 1 68  ? 39.301 17.954  -22.365 1.000 61.449  0 67  ARG   CCC O   1 ? 48 
ATOM   2389 C CB  . ARG   B 1 68  ? 37.175 19.978  -21.916 1.000 75.158  0 67  ARG   CCC CB  1 ? 48 
ATOM   2390 C CG  . ARG   B 1 68  ? 35.857 20.585  -21.454 1.000 81.326  0 67  ARG   CCC CG  1 ? 48 
ATOM   2391 C CD  . ARG   B 1 68  ? 35.184 21.469  -22.488 1.000 87.498  0 67  ARG   CCC CD  1 ? 48 
ATOM   2392 N NE  . ARG   B 1 68  ? 34.394 22.528  -21.870 1.000 94.610  0 67  ARG   CCC NE  1 ? 48 
ATOM   2393 C CZ  . ARG   B 1 68  ? 34.846 23.748  -21.561 1.000 100.098 0 67  ARG   CCC CZ  1 ? 48 
ATOM   2394 N NH1 . ARG   B 1 68  ? 36.101 24.098  -21.810 1.000 98.926  0 67  ARG   CCC NH1 1 ? 48 
ATOM   2395 N NH2 . ARG   B 1 68  ? 34.027 24.623  -21.000 1.000 103.887 0 67  ARG   CCC NH2 1 ? 48 
ATOM   2396 N N   . PRO   B 1 69  ? 38.424 17.633  -24.397 1.000 63.813  0 68  PRO   CCC N   1 ? 48 
ATOM   2397 C CA  . PRO   B 1 69  ? 39.626 16.960  -24.891 1.000 63.055  0 68  PRO   CCC CA  1 ? 48 
ATOM   2398 C C   . PRO   B 1 69  ? 40.881 17.848  -24.880 1.000 61.764  0 68  PRO   CCC C   1 ? 48 
ATOM   2399 O O   . PRO   B 1 69  ? 41.957 17.332  -24.632 1.000 61.348  0 68  PRO   CCC O   1 ? 48 
ATOM   2400 C CB  . PRO   B 1 69  ? 39.262 16.540  -26.313 1.000 65.125  0 68  PRO   CCC CB  1 ? 48 
ATOM   2401 C CG  . PRO   B 1 69  ? 37.767 16.733  -26.440 1.000 65.728  0 68  PRO   CCC CG  1 ? 48 
ATOM   2402 C CD  . PRO   B 1 69  ? 37.374 17.765  -25.416 1.000 64.649  0 68  PRO   CCC CD  1 ? 48 
ATOM   2403 N N   . GLU   B 1 70  ? 40.715 19.149  -25.129 1.000 62.577  0 69  GLU   CCC N   1 ? 48 
ATOM   2404 C CA  . GLU   B 1 70  ? 41.830 20.135  -25.163 1.000 63.644  0 69  GLU   CCC CA  1 ? 48 
ATOM   2405 C C   . GLU   B 1 70  ? 42.517 20.204  -23.794 1.000 61.989  0 69  GLU   CCC C   1 ? 48 
ATOM   2406 O O   . GLU   B 1 70  ? 43.684 20.617  -23.762 1.000 62.130  0 69  GLU   CCC O   1 ? 48 
ATOM   2407 C CB  . GLU   B 1 70  ? 41.352 21.518  -25.616 1.000 66.738  0 69  GLU   CCC CB  1 ? 48 
ATOM   2408 C CG  . GLU   B 1 70  ? 40.337 22.174  -24.688 1.000 71.270  0 69  GLU   CCC CG  1 ? 48 
ATOM   2409 C CD  . GLU   B 1 70  ? 38.875 21.923  -25.033 1.000 74.023  0 69  GLU   CCC CD  1 ? 48 
ATOM   2410 O OE1 . GLU   B 1 70  ? 38.531 20.766  -25.334 1.000 72.544  0 69  GLU   CCC OE1 1 ? 48 
ATOM   2411 O OE2 . GLU   B 1 70  ? 38.087 22.903  -25.034 1.000 77.059  0 69  GLU   CCC OE2 1 ? 48 
ATOM   2412 N N   . PHE   B 1 71  ? 41.837 19.836  -22.702 1.000 59.657  0 70  PHE   CCC N   1 ? 48 
ATOM   2413 C CA  . PHE   B 1 71  ? 42.455 19.789  -21.350 1.000 59.115  0 70  PHE   CCC CA  1 ? 48 
ATOM   2414 C C   . PHE   B 1 71  ? 43.370 18.563  -21.238 1.000 57.088  0 70  PHE   CCC C   1 ? 48 
ATOM   2415 O O   . PHE   B 1 71  ? 44.299 18.604  -20.431 1.000 59.682  0 70  PHE   CCC O   1 ? 48 
ATOM   2416 C CB  . PHE   B 1 71  ? 41.409 19.823  -20.233 1.000 61.044  0 70  PHE   CCC CB  1 ? 48 
ATOM   2417 C CG  . PHE   B 1 71  ? 40.622 21.103  -20.079 1.000 63.155  0 70  PHE   CCC CG  1 ? 48 
ATOM   2418 C CD1 . PHE   B 1 71  ? 40.977 22.269  -20.738 1.000 64.959  0 70  PHE   CCC CD1 1 ? 48 
ATOM   2419 C CD2 . PHE   B 1 71  ? 39.494 21.131  -19.273 1.000 65.660  0 70  PHE   CCC CD2 1 ? 48 
ATOM   2420 C CE1 . PHE   B 1 71  ? 40.231 23.430  -20.578 1.000 67.561  0 70  PHE   CCC CE1 1 ? 48 
ATOM   2421 C CE2 . PHE   B 1 71  ? 38.765 22.298  -19.096 1.000 68.104  0 70  PHE   CCC CE2 1 ? 48 
ATOM   2422 C CZ  . PHE   B 1 71  ? 39.121 23.442  -19.764 1.000 68.833  0 70  PHE   CCC CZ  1 ? 48 
ATOM   2423 N N   . LEU   B 1 72  ? 43.135 17.496  -21.999 1.000 54.801  0 71  LEU   CCC N   1 ? 49 
ATOM   2424 C CA  . LEU   B 1 72  ? 44.083 16.348  -22.031 1.000 55.317  0 71  LEU   CCC CA  1 ? 49 
ATOM   2425 C C   . LEU   B 1 72  ? 45.423 16.819  -22.618 1.000 53.378  0 71  LEU   CCC C   1 ? 49 
ATOM   2426 O O   . LEU   B 1 72  ? 46.465 16.548  -22.001 1.000 54.203  0 71  LEU   CCC O   1 ? 49 
ATOM   2427 C CB  . LEU   B 1 72  ? 43.511 15.181  -22.846 1.000 55.206  0 71  LEU   CCC CB  1 ? 49 
ATOM   2428 C CG  . LEU   B 1 72  ? 44.417 13.948  -22.925 1.000 55.019  0 71  LEU   CCC CG  1 ? 49 
ATOM   2429 C CD1 . LEU   B 1 72  ? 44.737 13.399  -21.547 1.000 55.114  0 71  LEU   CCC CD1 1 ? 49 
ATOM   2430 C CD2 . LEU   B 1 72  ? 43.787 12.871  -23.790 1.000 57.005  0 71  LEU   CCC CD2 1 ? 49 
ATOM   2431 N N   . THR   B 1 73  ? 45.404 17.483  -23.770 1.000 52.134  0 72  THR   CCC N   1 ? 49 
ATOM   2432 C CA  . THR   B 1 73  ? 46.631 18.020  -24.425 1.000 51.944  0 72  THR   CCC CA  1 ? 49 
ATOM   2433 C C   . THR   B 1 73  ? 47.396 18.875  -23.406 1.000 51.577  0 72  THR   CCC C   1 ? 49 
ATOM   2434 O O   . THR   B 1 73  ? 48.603 18.630  -23.211 1.000 51.039  0 72  THR   CCC O   1 ? 49 
ATOM   2435 C CB  . THR   B 1 73  ? 46.278 18.785  -25.705 1.000 50.647  0 72  THR   CCC CB  1 ? 49 
ATOM   2436 O OG1 . THR   B 1 73  ? 45.766 17.808  -26.602 1.000 51.815  0 72  THR   CCC OG1 1 ? 49 
ATOM   2437 C CG2 . THR   B 1 73  ? 47.457 19.479  -26.347 1.000 50.767  0 72  THR   CCC CG2 1 ? 49 
ATOM   2438 N N   . ARG   B 1 74  ? 46.694 19.799  -22.753 1.000 52.539  0 73  ARG   CCC N   1 ? 49 
ATOM   2439 C CA  . ARG   B 1 74  ? 47.267 20.763  -21.773 1.000 54.669  0 73  ARG   CCC CA  1 ? 49 
ATOM   2440 C C   . ARG   B 1 74  ? 47.949 19.983  -20.643 1.000 54.458  0 73  ARG   CCC C   1 ? 49 
ATOM   2441 O O   . ARG   B 1 74  ? 49.103 20.313  -20.317 1.000 55.987  0 73  ARG   CCC O   1 ? 49 
ATOM   2442 C CB  . ARG   B 1 74  ? 46.182 21.717  -21.261 1.000 55.544  0 73  ARG   CCC CB  1 ? 49 
ATOM   2443 C CG  . ARG   B 1 74  ? 46.731 23.036  -20.723 1.000 57.228  0 73  ARG   CCC CG  1 ? 49 
ATOM   2444 C CD  . ARG   B 1 74  ? 47.036 24.048  -21.814 1.000 56.364  0 73  ARG   CCC CD  1 ? 49 
ATOM   2445 N NE  . ARG   B 1 74  ? 45.826 24.298  -22.556 1.000 55.621  0 73  ARG   CCC NE  1 ? 49 
ATOM   2446 C CZ  . ARG   B 1 74  ? 44.812 25.047  -22.146 1.000 57.979  0 73  ARG   CCC CZ  1 ? 49 
ATOM   2447 N NH1 . ARG   B 1 74  ? 44.857 25.697  -20.990 1.000 60.047  0 73  ARG   CCC NH1 1 ? 49 
ATOM   2448 N NH2 . ARG   B 1 74  ? 43.733 25.130  -22.905 1.000 58.608  0 73  ARG   CCC NH2 1 ? 49 
ATOM   2449 N N   . LEU   B 1 75  ? 47.277 18.960  -20.113 1.000 54.417  0 74  LEU   CCC N   1 ? 49 
ATOM   2450 C CA  . LEU   B 1 75  ? 47.781 18.150  -18.975 1.000 56.713  0 74  LEU   CCC CA  1 ? 49 
ATOM   2451 C C   . LEU   B 1 75  ? 49.008 17.343  -19.409 1.000 55.589  0 74  LEU   CCC C   1 ? 49 
ATOM   2452 O O   . LEU   B 1 75  ? 49.935 17.212  -18.586 1.000 57.129  0 74  LEU   CCC O   1 ? 49 
ATOM   2453 C CB  . LEU   B 1 75  ? 46.656 17.250  -18.455 1.000 59.107  0 74  LEU   CCC CB  1 ? 49 
ATOM   2454 C CG  . LEU   B 1 75  ? 45.551 17.970  -17.677 1.000 61.218  0 74  LEU   CCC CG  1 ? 49 
ATOM   2455 C CD1 . LEU   B 1 75  ? 44.346 17.068  -17.464 1.000 61.830  0 74  LEU   CCC CD1 1 ? 49 
ATOM   2456 C CD2 . LEU   B 1 75  ? 46.068 18.478  -16.341 1.000 62.619  0 74  LEU   CCC CD2 1 ? 49 
ATOM   2457 N N   . ASN   B 1 76  ? 49.017 16.819  -20.636 1.000 54.123  0 75  ASN   CCC N   1 ? 49 
ATOM   2458 C CA  . ASN   B 1 76  ? 50.190 16.095  -21.196 1.000 53.787  0 75  ASN   CCC CA  1 ? 49 
ATOM   2459 C C   . ASN   B 1 76  ? 51.369 17.069  -21.317 1.000 53.405  0 75  ASN   CCC C   1 ? 49 
ATOM   2460 O O   . ASN   B 1 76  ? 52.485 16.693  -20.939 1.000 51.616  0 75  ASN   CCC O   1 ? 49 
ATOM   2461 C CB  . ASN   B 1 76  ? 49.869 15.427  -22.538 1.000 54.043  0 75  ASN   CCC CB  1 ? 49 
ATOM   2462 C CG  . ASN   B 1 76  ? 48.931 14.249  -22.395 1.000 53.873  0 75  ASN   CCC CG  1 ? 49 
ATOM   2463 O OD1 . ASN   B 1 76  ? 48.817 13.688  -21.315 1.000 53.095  0 75  ASN   CCC OD1 1 ? 49 
ATOM   2464 N ND2 . ASN   B 1 76  ? 48.257 13.874  -23.472 1.000 52.805  0 75  ASN   CCC ND2 1 ? 49 
ATOM   2465 N N   . GLU   B 1 77  ? 51.120 18.285  -21.804 1.000 55.483  0 76  GLU   CCC N   1 ? 49 
ATOM   2466 C CA  . GLU   B 1 77  ? 52.171 19.319  -21.989 1.000 57.872  0 76  GLU   CCC CA  1 ? 49 
ATOM   2467 C C   . GLU   B 1 77  ? 52.727 19.738  -20.623 1.000 59.361  0 76  GLU   CCC C   1 ? 49 
ATOM   2468 O O   . GLU   B 1 77  ? 53.961 19.894  -20.505 1.000 60.461  0 76  GLU   CCC O   1 ? 49 
ATOM   2469 C CB  . GLU   B 1 77  ? 51.617 20.527  -22.738 1.000 57.881  0 76  GLU   CCC CB  1 ? 49 
ATOM   2470 C CG  . GLU   B 1 77  ? 51.334 20.260  -24.199 1.000 58.323  0 76  GLU   CCC CG  1 ? 49 
ATOM   2471 C CD  . GLU   B 1 77  ? 50.517 21.356  -24.862 1.000 58.389  0 76  GLU   CCC CD  1 ? 49 
ATOM   2472 O OE1 . GLU   B 1 77  ? 49.880 22.142  -24.143 1.000 59.892  0 76  GLU   CCC OE1 1 ? 49 
ATOM   2473 O OE2 . GLU   B 1 77  ? 50.528 21.431  -26.092 1.000 61.205  0 76  GLU   CCC OE2 1 ? 49 
ATOM   2474 N N   . MET   B 1 78  ? 51.851 19.921  -19.636 1.000 61.636  0 77  MET   CCC N   1 ? 49 
ATOM   2475 C CA  . MET   B 1 78  ? 52.242 20.282  -18.244 1.000 63.962  0 77  MET   CCC CA  1 ? 49 
ATOM   2476 C C   . MET   B 1 78  ? 53.177 19.215  -17.677 1.000 62.844  0 77  MET   CCC C   1 ? 49 
ATOM   2477 O O   . MET   B 1 78  ? 54.214 19.571  -17.099 1.000 63.428  0 77  MET   CCC O   1 ? 49 
ATOM   2478 C CB  . MET   B 1 78  ? 51.024 20.362  -17.331 1.000 66.801  0 77  MET   CCC CB  1 ? 49 
ATOM   2479 C CG  . MET   B 1 78  ? 50.263 21.633  -17.491 1.000 69.550  0 77  MET   CCC CG  1 ? 49 
ATOM   2480 S SD  . MET   B 1 78  ? 48.898 21.700  -16.322 1.000 77.324  0 77  MET   CCC SD  1 ? 49 
ATOM   2481 C CE  . MET   B 1 78  ? 49.784 22.069  -14.814 1.000 74.732  0 77  MET   CCC CE  1 ? 49 
ATOM   2482 N N   A HIS   B 1 79  ? 52.808 17.944  -17.832 0.500 62.232  0 78  HIS   CCC N   1 ? 49 
ATOM   2483 N N   B HIS   B 1 79  ? 52.809 17.940  -17.827 0.500 61.891  0 78  HIS   CCC N   1 ? 49 
ATOM   2484 C CA  A HIS   B 1 79  ? 53.609 16.788  -17.358 0.500 63.252  0 78  HIS   CCC CA  1 ? 49 
ATOM   2485 C CA  B HIS   B 1 79  ? 53.610 16.776  -17.360 0.500 62.705  0 78  HIS   CCC CA  1 ? 49 
ATOM   2486 C C   A HIS   B 1 79  ? 54.982 16.782  -18.036 0.500 62.722  0 78  HIS   CCC C   1 ? 49 
ATOM   2487 C C   B HIS   B 1 79  ? 54.985 16.782  -18.035 0.500 62.414  0 78  HIS   CCC C   1 ? 49 
ATOM   2488 O O   A HIS   B 1 79  ? 55.954 16.443  -17.367 0.500 66.234  0 78  HIS   CCC O   1 ? 49 
ATOM   2489 O O   B HIS   B 1 79  ? 55.965 16.455  -17.358 0.500 65.978  0 78  HIS   CCC O   1 ? 49 
ATOM   2490 C CB  A HIS   B 1 79  ? 52.879 15.461  -17.576 0.500 63.390  0 78  HIS   CCC CB  1 ? 49 
ATOM   2491 C CB  B HIS   B 1 79  ? 52.870 15.450  -17.595 0.500 62.394  0 78  HIS   CCC CB  1 ? 49 
ATOM   2492 C CG  A HIS   B 1 79  ? 53.839 14.320  -17.523 0.500 64.272  0 78  HIS   CCC CG  1 ? 49 
ATOM   2493 C CG  B HIS   B 1 79  ? 52.095 14.981  -16.413 0.500 62.967  0 78  HIS   CCC CG  1 ? 49 
ATOM   2494 N ND1 A HIS   B 1 79  ? 54.089 13.612  -16.366 0.500 65.551  0 78  HIS   CCC ND1 1 ? 49 
ATOM   2495 N ND1 B HIS   B 1 79  ? 50.727 15.149  -16.325 0.500 63.782  0 78  HIS   CCC ND1 1 ? 49 
ATOM   2496 C CD2 A HIS   B 1 79  ? 54.679 13.826  -18.458 0.500 65.561  0 78  HIS   CCC CD2 1 ? 49 
ATOM   2497 C CD2 B HIS   B 1 79  ? 52.486 14.366  -15.271 0.500 64.152  0 78  HIS   CCC CD2 1 ? 49 
ATOM   2498 C CE1 A HIS   B 1 79  ? 55.013 12.701  -16.607 0.500 66.713  0 78  HIS   CCC CE1 1 ? 49 
ATOM   2499 C CE1 B HIS   B 1 79  ? 50.308 14.647  -15.182 0.500 65.997  0 78  HIS   CCC CE1 1 ? 49 
ATOM   2500 N NE2 A HIS   B 1 79  ? 55.385 12.808  -17.881 0.500 67.087  0 78  HIS   CCC NE2 1 ? 49 
ATOM   2501 N NE2 B HIS   B 1 79  ? 51.370 14.183  -14.504 0.500 66.840  0 78  HIS   CCC NE2 1 ? 49 
ATOM   2502 N N   . ALA   B 1 80  ? 55.057 17.140  -19.317 1.000 61.443  0 79  ALA   CCC N   1 ? 49 
ATOM   2503 C CA  . ALA   B 1 80  ? 56.332 17.201  -20.069 1.000 62.634  0 79  ALA   CCC CA  1 ? 49 
ATOM   2504 C C   . ALA   B 1 80  ? 57.185 18.375  -19.553 1.000 63.806  0 79  ALA   CCC C   1 ? 49 
ATOM   2505 O O   . ALA   B 1 80  ? 58.401 18.184  -19.398 1.000 63.329  0 79  ALA   CCC O   1 ? 49 
ATOM   2506 C CB  . ALA   B 1 80  ? 56.060 17.289  -21.551 1.000 61.999  0 79  ALA   CCC CB  1 ? 49 
ATOM   2507 N N   . ALA   B 1 81  ? 56.570 19.523  -19.242 1.000 64.285  0 80  ALA   CCC N   1 ? 49 
ATOM   2508 C CA  . ALA   B 1 81  ? 57.267 20.823  -19.069 1.000 66.376  0 80  ALA   CCC CA  1 ? 49 
ATOM   2509 C C   . ALA   B 1 81  ? 57.506 21.166  -17.593 1.000 68.844  0 80  ALA   CCC C   1 ? 49 
ATOM   2510 O O   . ALA   B 1 81  ? 58.430 21.937  -17.346 1.000 73.143  0 80  ALA   CCC O   1 ? 49 
ATOM   2511 C CB  . ALA   B 1 81  ? 56.490 21.921  -19.752 1.000 65.467  0 80  ALA   CCC CB  1 ? 49 
ATOM   2512 N N   . GLU   B 1 82  ? 56.709 20.647  -16.655 1.000 71.071  0 81  GLU   CCC N   1 ? 49 
ATOM   2513 C CA  . GLU   B 1 82  ? 56.705 21.097  -15.233 1.000 73.370  0 81  GLU   CCC CA  1 ? 49 
ATOM   2514 C C   . GLU   B 1 82  ? 57.160 19.966  -14.310 1.000 76.041  0 81  GLU   CCC C   1 ? 49 
ATOM   2515 O O   . GLU   B 1 82  ? 56.395 19.049  -14.031 1.000 77.021  0 81  GLU   CCC O   1 ? 49 
ATOM   2516 C CB  . GLU   B 1 82  ? 55.305 21.563  -14.831 1.000 74.376  0 81  GLU   CCC CB  1 ? 49 
ATOM   2517 C CG  . GLU   B 1 82  ? 54.800 22.759  -15.632 1.000 76.378  0 81  GLU   CCC CG  1 ? 49 
ATOM   2518 C CD  . GLU   B 1 82  ? 55.510 24.078  -15.360 1.000 77.852  0 81  GLU   CCC CD  1 ? 49 
ATOM   2519 O OE1 . GLU   B 1 82  ? 56.078 24.217  -14.264 1.000 78.963  0 81  GLU   CCC OE1 1 ? 49 
ATOM   2520 O OE2 . GLU   B 1 82  ? 55.499 24.965  -16.253 1.000 78.177  0 81  GLU   CCC OE2 1 ? 49 
ATOM   2521 N N   . PRO   B 1 83  ? 58.407 19.999  -13.776 1.000 79.122  0 82  PRO   CCC N   1 ? 49 
ATOM   2522 C CA  . PRO   B 1 83  ? 58.854 19.013  -12.784 1.000 82.043  0 82  PRO   CCC CA  1 ? 49 
ATOM   2523 C C   . PRO   B 1 83  ? 57.950 18.893  -11.543 1.000 86.434  0 82  PRO   CCC C   1 ? 49 
ATOM   2524 O O   . PRO   B 1 83  ? 57.884 17.818  -10.951 1.000 87.471  0 82  PRO   CCC O   1 ? 49 
ATOM   2525 C CB  . PRO   B 1 83  ? 60.233 19.542  -12.371 1.000 81.845  0 82  PRO   CCC CB  1 ? 49 
ATOM   2526 C CG  . PRO   B 1 83  ? 60.717 20.280  -13.599 1.000 80.254  0 82  PRO   CCC CG  1 ? 49 
ATOM   2527 C CD  . PRO   B 1 83  ? 59.469 20.955  -14.131 1.000 79.769  0 82  PRO   CCC CD  1 ? 49 
ATOM   2528 N N   . GLN   B 1 84  ? 57.290 19.995  -11.173 1.000 89.804  0 83  GLN   CCC N   1 ? 49 
ATOM   2529 C CA  . GLN   B 1 84  ? 56.297 20.087  -10.067 1.000 94.034  0 83  GLN   CCC CA  1 ? 49 
ATOM   2530 C C   . GLN   B 1 84  ? 55.106 19.145  -10.329 1.000 95.023  0 83  GLN   CCC C   1 ? 49 
ATOM   2531 O O   . GLN   B 1 84  ? 54.572 18.605  -9.347  1.000 97.363  0 83  GLN   CCC O   1 ? 49 
ATOM   2532 C CB  . GLN   B 1 84  ? 55.838 21.543  -9.926  1.000 98.655  0 83  GLN   CCC CB  1 ? 49 
ATOM   2533 C CG  . GLN   B 1 84  ? 54.996 21.823  -8.684  1.000 102.803 0 83  GLN   CCC CG  1 ? 49 
ATOM   2534 C CD  . GLN   B 1 84  ? 54.811 23.305  -8.450  1.000 105.827 0 83  GLN   CCC CD  1 ? 49 
ATOM   2535 O OE1 . GLN   B 1 84  ? 55.759 24.085  -8.534  1.000 102.729 0 83  GLN   CCC OE1 1 ? 49 
ATOM   2536 N NE2 . GLN   B 1 84  ? 53.580 23.705  -8.159  1.000 108.020 0 83  GLN   CCC NE2 1 ? 49 
ATOM   2537 N N   . MET   B 1 85  ? 54.688 18.974  -11.591 1.000 90.894  0 84  MET   CCC N   1 ? 49 
ATOM   2538 C CA  . MET   B 1 85  ? 53.552 18.093  -11.989 1.000 88.531  0 84  MET   CCC CA  1 ? 49 
ATOM   2539 C C   . MET   B 1 85  ? 53.925 16.631  -11.698 1.000 86.845  0 84  MET   CCC C   1 ? 49 
ATOM   2540 O O   . MET   B 1 85  ? 53.090 15.955  -11.071 1.000 90.524  0 84  MET   CCC O   1 ? 49 
ATOM   2541 C CB  . MET   B 1 85  ? 53.197 18.269  -13.469 1.000 88.507  0 84  MET   CCC CB  1 ? 49 
ATOM   2542 C CG  . MET   B 1 85  ? 51.891 17.598  -13.892 1.000 90.106  0 84  MET   CCC CG  1 ? 49 
ATOM   2543 S SD  . MET   B 1 85  ? 50.448 18.629  -13.589 1.000 94.277  0 84  MET   CCC SD  1 ? 49 
ATOM   2544 C CE  . MET   B 1 85  ? 49.123 17.501  -14.018 1.000 95.199  0 84  MET   CCC CE  1 ? 49 
ATOM   2545 N N   . ARG   B 1 86  ? 55.126 16.181  -12.088 1.000 107.621 0 85  ARG   CCC N   1 ? 50 
ATOM   2546 C CA  . ARG   B 1 86  ? 55.612 14.781  -11.878 1.000 105.861 0 85  ARG   CCC CA  1 ? 50 
ATOM   2547 C C   . ARG   B 1 86  ? 55.681 14.467  -10.369 1.000 108.416 0 85  ARG   CCC C   1 ? 50 
ATOM   2548 O O   . ARG   B 1 86  ? 55.341 13.315  -9.986  1.000 107.122 0 85  ARG   CCC O   1 ? 50 
ATOM   2549 C CB  . ARG   B 1 86  ? 57.009 14.562  -12.481 1.000 106.115 0 85  ARG   CCC CB  1 ? 50 
ATOM   2550 C CG  . ARG   B 1 86  ? 57.081 14.122  -13.940 1.000 104.476 0 85  ARG   CCC CG  1 ? 50 
ATOM   2551 C CD  . ARG   B 1 86  ? 56.887 15.205  -14.984 1.000 104.625 0 85  ARG   CCC CD  1 ? 50 
ATOM   2552 N NE  . ARG   B 1 86  ? 57.989 16.151  -15.068 1.000 109.003 0 85  ARG   CCC NE  1 ? 50 
ATOM   2553 C CZ  . ARG   B 1 86  ? 59.169 15.924  -15.647 1.000 111.133 0 85  ARG   CCC CZ  1 ? 50 
ATOM   2554 N NH1 . ARG   B 1 86  ? 59.403 14.774  -16.266 1.000 108.115 0 85  ARG   CCC NH1 1 ? 50 
ATOM   2555 N NH2 . ARG   B 1 86  ? 60.090 16.877  -15.628 1.000 114.233 0 85  ARG   CCC NH2 1 ? 50 
ATOM   2556 N N   . GLU   B 1 87  ? 56.132 15.435  -9.555  1.000 112.441 0 86  GLU   CCC N   1 ? 50 
ATOM   2557 C CA  . GLU   B 1 87  ? 56.221 15.317  -8.075  1.000 115.795 0 86  GLU   CCC CA  1 ? 50 
ATOM   2558 C C   . GLU   B 1 87  ? 54.813 15.145  -7.482  1.000 116.120 0 86  GLU   CCC C   1 ? 50 
ATOM   2559 O O   . GLU   B 1 87  ? 54.588 14.170  -6.750  1.000 116.482 0 86  GLU   CCC O   1 ? 50 
ATOM   2560 C CB  . GLU   B 1 87  ? 56.870 16.563  -7.475  1.000 120.924 0 86  GLU   CCC CB  1 ? 50 
ATOM   2561 C CG  . GLU   B 1 87  ? 58.371 16.634  -7.648  1.000 122.929 0 86  GLU   CCC CG  1 ? 50 
ATOM   2562 C CD  . GLU   B 1 87  ? 59.019 17.719  -6.804  1.000 126.837 0 86  GLU   CCC CD  1 ? 50 
ATOM   2563 O OE1 . GLU   B 1 87  ? 58.768 17.744  -5.582  1.000 129.925 0 86  GLU   CCC OE1 1 ? 50 
ATOM   2564 O OE2 . GLU   B 1 87  ? 59.767 18.543  -7.371  1.000 129.639 0 86  GLU   CCC OE2 1 ? 50 
ATOM   2565 N N   . GLN   B 1 88  ? 53.909 16.068  -7.813  1.000 116.437 0 87  GLN   CCC N   1 ? 50 
ATOM   2566 C CA  . GLN   B 1 88  ? 52.503 16.134  -7.331  1.000 118.545 0 87  GLN   CCC CA  1 ? 50 
ATOM   2567 C C   . GLN   B 1 88  ? 51.745 14.829  -7.627  1.000 115.221 0 87  GLN   CCC C   1 ? 50 
ATOM   2568 O O   . GLN   B 1 88  ? 51.073 14.338  -6.696  1.000 117.415 0 87  GLN   CCC O   1 ? 50 
ATOM   2569 C CB  . GLN   B 1 88  ? 51.810 17.339  -7.981  1.000 120.008 0 87  GLN   CCC CB  1 ? 50 
ATOM   2570 C CG  . GLN   B 1 88  ? 50.495 17.730  -7.323  1.000 123.589 0 87  GLN   CCC CG  1 ? 50 
ATOM   2571 C CD  . GLN   B 1 88  ? 50.246 19.222  -7.409  1.000 126.786 0 87  GLN   CCC CD  1 ? 50 
ATOM   2572 O OE1 . GLN   B 1 88  ? 50.935 20.035  -6.789  1.000 126.965 0 87  GLN   CCC OE1 1 ? 50 
ATOM   2573 N NE2 . GLN   B 1 88  ? 49.255 19.594  -8.200  1.000 127.287 0 87  GLN   CCC NE2 1 ? 50 
ATOM   2574 N N   . THR   B 1 89  ? 51.851 14.272  -8.845  1.000 109.499 0 88  THR   CCC N   1 ? 50 
ATOM   2575 C CA  . THR   B 1 89  ? 50.965 13.184  -9.357  1.000 106.053 0 88  THR   CCC CA  1 ? 50 
ATOM   2576 C C   . THR   B 1 89  ? 51.622 11.797  -9.256  1.000 103.150 0 88  THR   CCC C   1 ? 50 
ATOM   2577 O O   . THR   B 1 89  ? 50.869 10.810  -9.071  1.000 100.784 0 88  THR   CCC O   1 ? 50 
ATOM   2578 C CB  . THR   B 1 89  ? 50.533 13.445  -10.808 1.000 105.022 0 88  THR   CCC CB  1 ? 50 
ATOM   2579 O OG1 . THR   B 1 89  ? 51.662 13.289  -11.672 1.000 103.070 0 88  THR   CCC OG1 1 ? 50 
ATOM   2580 C CG2 . THR   B 1 89  ? 49.915 14.815  -11.000 1.000 107.479 0 88  THR   CCC CG2 1 ? 50 
ATOM   2581 N N   . GLY   B 1 90  ? 52.949 11.703  -9.415  1.000 100.403 0 89  GLY   CCC N   1 ? 50 
ATOM   2582 C CA  . GLY   B 1 90  ? 53.665 10.414  -9.513  1.000 97.493  0 89  GLY   CCC CA  1 ? 50 
ATOM   2583 C C   . GLY   B 1 90  ? 53.572 9.802   -10.907 1.000 91.420  0 89  GLY   CCC C   1 ? 50 
ATOM   2584 O O   . GLY   B 1 90  ? 54.082 8.680   -11.101 1.000 91.288  0 89  GLY   CCC O   1 ? 50 
ATOM   2585 N N   . VAL   B 1 91  ? 52.938 10.500  -11.853 1.000 85.904  0 90  VAL   CCC N   1 ? 50 
ATOM   2586 C CA  . VAL   B 1 91  ? 52.778 10.051  -13.267 1.000 81.971  0 90  VAL   CCC CA  1 ? 50 
ATOM   2587 C C   . VAL   B 1 91  ? 54.059 10.382  -14.036 1.000 82.100  0 90  VAL   CCC C   1 ? 50 
ATOM   2588 O O   . VAL   B 1 91  ? 54.370 11.585  -14.128 1.000 84.381  0 90  VAL   CCC O   1 ? 50 
ATOM   2589 C CB  . VAL   B 1 91  ? 51.542 10.694  -13.922 1.000 79.566  0 90  VAL   CCC CB  1 ? 50 
ATOM   2590 C CG1 . VAL   B 1 91  ? 51.383 10.242  -15.361 1.000 78.141  0 90  VAL   CCC CG1 1 ? 50 
ATOM   2591 C CG2 . VAL   B 1 91  ? 50.269 10.407  -13.140 1.000 80.204  0 90  VAL   CCC CG2 1 ? 50 
ATOM   2592 N N   . THR   B 1 92  ? 54.760 9.363   -14.558 1.000 81.981  0 91  THR   CCC N   1 ? 50 
ATOM   2593 C CA  . THR   B 1 92  ? 56.025 9.502   -15.335 1.000 82.969  0 91  THR   CCC CA  1 ? 50 
ATOM   2594 C C   . THR   B 1 92  ? 55.728 9.345   -16.825 1.000 82.332  0 91  THR   CCC C   1 ? 50 
ATOM   2595 O O   . THR   B 1 92  ? 54.708 8.758   -17.193 1.000 83.031  0 91  THR   CCC O   1 ? 50 
ATOM   2596 C CB  . THR   B 1 92  ? 57.081 8.489   -14.874 1.000 85.790  0 91  THR   CCC CB  1 ? 50 
ATOM   2597 O OG1 . THR   B 1 92  ? 56.643 7.163   -15.177 1.000 83.536  0 91  THR   CCC OG1 1 ? 50 
ATOM   2598 C CG2 . THR   B 1 92  ? 57.379 8.579   -13.393 1.000 89.202  0 91  THR   CCC CG2 1 ? 50 
ATOM   2599 N N   . PRO   B 1 93  ? 56.596 9.859   -17.731 1.000 84.071  0 92  PRO   CCC N   1 ? 50 
ATOM   2600 C CA  . PRO   B 1 93  ? 56.385 9.707   -19.171 1.000 82.270  0 92  PRO   CCC CA  1 ? 50 
ATOM   2601 C C   . PRO   B 1 93  ? 56.317 8.232   -19.602 1.000 79.768  0 92  PRO   CCC C   1 ? 50 
ATOM   2602 O O   . PRO   B 1 93  ? 55.550 7.933   -20.498 1.000 76.941  0 92  PRO   CCC O   1 ? 50 
ATOM   2603 C CB  . PRO   B 1 93  ? 57.602 10.398  -19.814 1.000 85.967  0 92  PRO   CCC CB  1 ? 50 
ATOM   2604 C CG  . PRO   B 1 93  ? 58.145 11.303  -18.734 1.000 88.714  0 92  PRO   CCC CG  1 ? 50 
ATOM   2605 C CD  . PRO   B 1 93  ? 57.829 10.601  -17.430 1.000 87.672  0 92  PRO   CCC CD  1 ? 50 
ATOM   2606 N N   . GLU   B 1 94  ? 57.120 7.370   -18.964 1.000 81.897  0 93  GLU   CCC N   1 ? 50 
ATOM   2607 C CA  . GLU   B 1 94  ? 57.139 5.900   -19.195 1.000 83.953  0 93  GLU   CCC CA  1 ? 50 
ATOM   2608 C C   . GLU   B 1 94  ? 55.744 5.340   -18.893 1.000 79.176  0 93  GLU   CCC C   1 ? 50 
ATOM   2609 O O   . GLU   B 1 94  ? 55.273 4.476   -19.639 1.000 76.272  0 93  GLU   CCC O   1 ? 50 
ATOM   2610 C CB  . GLU   B 1 94  ? 58.170 5.202   -18.300 1.000 90.147  0 93  GLU   CCC CB  1 ? 50 
ATOM   2611 C CG  . GLU   B 1 94  ? 59.617 5.532   -18.634 1.000 96.682  0 93  GLU   CCC CG  1 ? 50 
ATOM   2612 C CD  . GLU   B 1 94  ? 60.191 6.781   -17.974 1.000 101.025 0 93  GLU   CCC CD  1 ? 50 
ATOM   2613 O OE1 . GLU   B 1 94  ? 59.668 7.204   -16.915 1.000 102.003 0 93  GLU   CCC OE1 1 ? 50 
ATOM   2614 O OE2 . GLU   B 1 94  ? 61.167 7.332   -18.520 1.000 106.689 0 93  GLU   CCC OE2 1 ? 50 
ATOM   2615 N N   . MET   B 1 95  ? 55.135 5.824   -17.809 1.000 79.078  0 94  MET   CCC N   1 ? 50 
ATOM   2616 C CA  . MET   B 1 95  ? 53.815 5.369   -17.313 1.000 76.753  0 94  MET   CCC CA  1 ? 50 
ATOM   2617 C C   . MET   B 1 95  ? 52.728 5.785   -18.309 1.000 72.575  0 94  MET   CCC C   1 ? 50 
ATOM   2618 O O   . MET   B 1 95  ? 51.890 4.940   -18.641 1.000 67.487  0 94  MET   CCC O   1 ? 50 
ATOM   2619 C CB  . MET   B 1 95  ? 53.510 5.988   -15.947 1.000 78.540  0 94  MET   CCC CB  1 ? 50 
ATOM   2620 C CG  . MET   B 1 95  ? 52.434 5.269   -15.198 1.000 79.829  0 94  MET   CCC CG  1 ? 50 
ATOM   2621 S SD  . MET   B 1 95  ? 52.645 5.582   -13.434 1.000 88.190  0 94  MET   CCC SD  1 ? 50 
ATOM   2622 C CE  . MET   B 1 95  ? 51.666 7.066   -13.306 1.000 88.535  0 94  MET   CCC CE  1 ? 50 
ATOM   2623 N N   . ILE   B 1 96  ? 52.749 7.040   -18.766 1.000 70.578  0 95  ILE   CCC N   1 ? 50 
ATOM   2624 C CA  . ILE   B 1 96  ? 51.777 7.548   -19.778 1.000 67.408  0 95  ILE   CCC CA  1 ? 50 
ATOM   2625 C C   . ILE   B 1 96  ? 51.897 6.685   -21.042 1.000 64.267  0 95  ILE   CCC C   1 ? 50 
ATOM   2626 O O   . ILE   B 1 96  ? 50.854 6.343   -21.631 1.000 60.049  0 95  ILE   CCC O   1 ? 50 
ATOM   2627 C CB  . ILE   B 1 96  ? 51.988 9.050   -20.053 1.000 68.983  0 95  ILE   CCC CB  1 ? 50 
ATOM   2628 C CG1 . ILE   B 1 96  ? 51.589 9.883   -18.836 1.000 71.291  0 95  ILE   CCC CG1 1 ? 50 
ATOM   2629 C CG2 . ILE   B 1 96  ? 51.227 9.485   -21.293 1.000 67.423  0 95  ILE   CCC CG2 1 ? 50 
ATOM   2630 C CD1 . ILE   B 1 96  ? 51.868 11.374  -18.962 1.000 75.291  0 95  ILE   CCC CD1 1 ? 50 
ATOM   2631 N N   . ASP   B 1 97  ? 53.121 6.316   -21.424 1.000 66.551  0 96  ASP   CCC N   1 ? 50 
ATOM   2632 C CA  . ASP   B 1 97  ? 53.390 5.502   -22.638 1.000 66.556  0 96  ASP   CCC CA  1 ? 50 
ATOM   2633 C C   . ASP   B 1 97  ? 52.825 4.090   -22.438 1.000 64.866  0 96  ASP   CCC C   1 ? 50 
ATOM   2634 O O   . ASP   B 1 97  ? 52.184 3.558   -23.370 1.000 63.267  0 96  ASP   CCC O   1 ? 50 
ATOM   2635 C CB  . ASP   B 1 97  ? 54.880 5.449   -22.973 1.000 71.094  0 96  ASP   CCC CB  1 ? 50 
ATOM   2636 C CG  . ASP   B 1 97  ? 55.119 4.775   -24.310 1.000 75.245  0 96  ASP   CCC CG  1 ? 50 
ATOM   2637 O OD1 . ASP   B 1 97  ? 54.665 5.332   -25.331 1.000 75.900  0 96  ASP   CCC OD1 1 ? 50 
ATOM   2638 O OD2 . ASP   B 1 97  ? 55.699 3.669   -24.315 1.000 80.962  0 96  ASP   CCC OD2 1 ? 50 
ATOM   2639 N N   . PHE   B 1 98  ? 53.054 3.495   -21.268 1.000 64.689  0 97  PHE   CCC N   1 ? 50 
ATOM   2640 C CA  . PHE   B 1 98  ? 52.543 2.144   -20.917 1.000 63.923  0 97  PHE   CCC CA  1 ? 50 
ATOM   2641 C C   . PHE   B 1 98  ? 51.014 2.158   -21.021 1.000 59.429  0 97  PHE   CCC C   1 ? 50 
ATOM   2642 O O   . PHE   B 1 98  ? 50.449 1.276   -21.695 1.000 56.158  0 97  PHE   CCC O   1 ? 50 
ATOM   2643 C CB  . PHE   B 1 98  ? 53.031 1.730   -19.528 1.000 68.332  0 97  PHE   CCC CB  1 ? 50 
ATOM   2644 C CG  . PHE   B 1 98  ? 52.412 0.462   -19.011 1.000 70.075  0 97  PHE   CCC CG  1 ? 50 
ATOM   2645 C CD1 . PHE   B 1 98  ? 52.773 -0.758  -19.546 1.000 72.881  0 97  PHE   CCC CD1 1 ? 50 
ATOM   2646 C CD2 . PHE   B 1 98  ? 51.453 0.491   -18.014 1.000 72.284  0 97  PHE   CCC CD2 1 ? 50 
ATOM   2647 C CE1 . PHE   B 1 98  ? 52.207 -1.932  -19.075 1.000 75.887  0 97  PHE   CCC CE1 1 ? 50 
ATOM   2648 C CE2 . PHE   B 1 98  ? 50.896 -0.684  -17.533 1.000 74.924  0 97  PHE   CCC CE2 1 ? 50 
ATOM   2649 C CZ  . PHE   B 1 98  ? 51.268 -1.893  -18.070 1.000 76.691  0 97  PHE   CCC CZ  1 ? 50 
ATOM   2650 N N   . ILE   B 1 99  ? 50.374 3.153   -20.399 1.000 57.679  0 98  ILE   CCC N   1 ? 50 
ATOM   2651 C CA  . ILE   B 1 99  ? 48.890 3.312   -20.394 1.000 57.502  0 98  ILE   CCC CA  1 ? 50 
ATOM   2652 C C   . ILE   B 1 99  ? 48.411 3.540   -21.830 1.000 55.154  0 98  ILE   CCC C   1 ? 50 
ATOM   2653 O O   . ILE   B 1 99  ? 47.386 2.950   -22.206 1.000 55.814  0 98  ILE   CCC O   1 ? 50 
ATOM   2654 C CB  . ILE   B 1 99  ? 48.458 4.437   -19.432 1.000 59.475  0 98  ILE   CCC CB  1 ? 50 
ATOM   2655 C CG1 . ILE   B 1 99  ? 48.711 4.064   -17.970 1.000 61.942  0 98  ILE   CCC CG1 1 ? 50 
ATOM   2656 C CG2 . ILE   B 1 99  ? 47.011 4.821   -19.655 1.000 59.372  0 98  ILE   CCC CG2 1 ? 50 
ATOM   2657 C CD1 . ILE   B 1 99  ? 47.919 2.869   -17.482 1.000 63.857  0 98  ILE   CCC CD1 1 ? 50 
ATOM   2658 N N   . THR   B 1 100 ? 49.142 4.321   -22.626 1.000 55.313  0 99  THR   CCC N   1 ? 50 
ATOM   2659 C CA  . THR   B 1 100 ? 48.797 4.607   -24.046 1.000 54.283  0 99  THR   CCC CA  1 ? 50 
ATOM   2660 C C   . THR   B 1 100 ? 48.759 3.288   -24.830 1.000 54.756  0 99  THR   CCC C   1 ? 50 
ATOM   2661 O O   . THR   B 1 100 ? 47.781 3.069   -25.562 1.000 52.900  0 99  THR   CCC O   1 ? 50 
ATOM   2662 C CB  . THR   B 1 100 ? 49.762 5.630   -24.664 1.000 55.989  0 99  THR   CCC CB  1 ? 50 
ATOM   2663 O OG1 . THR   B 1 100 ? 49.659 6.827   -23.891 1.000 56.905  0 99  THR   CCC OG1 1 ? 50 
ATOM   2664 C CG2 . THR   B 1 100 ? 49.472 5.910   -26.123 1.000 56.377  0 99  THR   CCC CG2 1 ? 50 
ATOM   2665 N N   . ARG   B 1 101 ? 49.775 2.434   -24.664 1.000 56.620  0 100 ARG   CCC N   1 ? 50 
ATOM   2666 C CA  . ARG   B 1 101 ? 49.895 1.142   -25.387 1.000 56.541  0 100 ARG   CCC CA  1 ? 50 
ATOM   2667 C C   . ARG   B 1 101 ? 48.833 0.154   -24.884 1.000 54.426  0 100 ARG   CCC C   1 ? 50 
ATOM   2668 O O   . ARG   B 1 101 ? 48.227 -0.511  -25.727 1.000 51.877  0 100 ARG   CCC O   1 ? 50 
ATOM   2669 C CB  . ARG   B 1 101 ? 51.326 0.617   -25.266 1.000 60.728  0 100 ARG   CCC CB  1 ? 50 
ATOM   2670 C CG  . ARG   B 1 101 ? 52.310 1.392   -26.134 1.000 65.671  0 100 ARG   CCC CG  1 ? 50 
ATOM   2671 C CD  . ARG   B 1 101 ? 53.736 0.860   -26.128 1.000 70.235  0 100 ARG   CCC CD  1 ? 50 
ATOM   2672 N NE  . ARG   B 1 101 ? 54.404 1.116   -24.851 1.000 75.619  0 100 ARG   CCC NE  1 ? 50 
ATOM   2673 C CZ  . ARG   B 1 101 ? 54.619 0.219   -23.883 1.000 76.097  0 100 ARG   CCC CZ  1 ? 50 
ATOM   2674 N NH1 . ARG   B 1 101 ? 54.234 -1.037  -24.024 1.000 76.072  0 100 ARG   CCC NH1 1 ? 50 
ATOM   2675 N NH2 . ARG   B 1 101 ? 55.233 0.588   -22.777 1.000 77.753  0 100 ARG   CCC NH2 1 ? 50 
ATOM   2676 N N   . ALA   B 1 102 ? 48.590 0.071   -23.575 1.000 53.897  0 101 ALA   CCC N   1 ? 50 
ATOM   2677 C CA  . ALA   B 1 102 ? 47.553 -0.812  -22.995 1.000 54.021  0 101 ALA   CCC CA  1 ? 50 
ATOM   2678 C C   . ALA   B 1 102 ? 46.169 -0.373  -23.489 1.000 52.285  0 101 ALA   CCC C   1 ? 50 
ATOM   2679 O O   . ALA   B 1 102 ? 45.330 -1.251  -23.795 1.000 51.195  0 101 ALA   CCC O   1 ? 50 
ATOM   2680 C CB  . ALA   B 1 102 ? 47.631 -0.812  -21.487 1.000 56.359  0 101 ALA   CCC CB  1 ? 50 
ATOM   2681 N N   . PHE   B 1 103 ? 45.927 0.934   -23.587 1.000 52.734  0 102 PHE   CCC N   1 ? 50 
ATOM   2682 C CA  . PHE   B 1 103 ? 44.623 1.475   -24.053 1.000 53.213  0 102 PHE   CCC CA  1 ? 50 
ATOM   2683 C C   . PHE   B 1 103 ? 44.411 1.080   -25.521 1.000 53.835  0 102 PHE   CCC C   1 ? 50 
ATOM   2684 O O   . PHE   B 1 103 ? 43.295 0.649   -25.902 1.000 57.683  0 102 PHE   CCC O   1 ? 50 
ATOM   2685 C CB  . PHE   B 1 103 ? 44.567 2.987   -23.841 1.000 54.368  0 102 PHE   CCC CB  1 ? 50 
ATOM   2686 C CG  . PHE   B 1 103 ? 43.218 3.605   -24.094 1.000 55.631  0 102 PHE   CCC CG  1 ? 50 
ATOM   2687 C CD1 . PHE   B 1 103 ? 42.096 3.156   -23.414 1.000 58.917  0 102 PHE   CCC CD1 1 ? 50 
ATOM   2688 C CD2 . PHE   B 1 103 ? 43.075 4.644   -24.999 1.000 58.052  0 102 PHE   CCC CD2 1 ? 50 
ATOM   2689 C CE1 . PHE   B 1 103 ? 40.856 3.731   -23.649 1.000 61.499  0 102 PHE   CCC CE1 1 ? 50 
ATOM   2690 C CE2 . PHE   B 1 103 ? 41.834 5.219   -25.223 1.000 60.964  0 102 PHE   CCC CE2 1 ? 50 
ATOM   2691 C CZ  . PHE   B 1 103 ? 40.733 4.761   -24.546 1.000 60.783  0 102 PHE   CCC CZ  1 ? 50 
ATOM   2692 N N   . ALA   B 1 104 ? 45.457 1.201   -26.339 1.000 51.944  0 103 ALA   CCC N   1 ? 50 
ATOM   2693 C CA  . ALA   B 1 104 ? 45.445 0.744   -27.746 1.000 50.673  0 103 ALA   CCC CA  1 ? 50 
ATOM   2694 C C   . ALA   B 1 104 ? 45.106 -0.749  -27.802 1.000 50.131  0 103 ALA   CCC C   1 ? 50 
ATOM   2695 O O   . ALA   B 1 104 ? 44.268 -1.130  -28.639 1.000 47.466  0 103 ALA   CCC O   1 ? 50 
ATOM   2696 C CB  . ALA   B 1 104 ? 46.775 1.035   -28.387 1.000 52.127  0 103 ALA   CCC CB  1 ? 50 
ATOM   2697 N N   . GLU   B 1 105 ? 45.716 -1.570  -26.940 1.000 50.106  0 104 GLU   CCC N   1 ? 50 
ATOM   2698 C CA  . GLU   B 1 105 ? 45.439 -3.030  -26.884 1.000 52.432  0 104 GLU   CCC CA  1 ? 50 
ATOM   2699 C C   . GLU   B 1 105 ? 43.958 -3.264  -26.562 1.000 51.391  0 104 GLU   CCC C   1 ? 50 
ATOM   2700 O O   . GLU   B 1 105 ? 43.424 -4.243  -27.061 1.000 54.754  0 104 GLU   CCC O   1 ? 50 
ATOM   2701 C CB  . GLU   B 1 105 ? 46.321 -3.747  -25.862 1.000 56.128  0 104 GLU   CCC CB  1 ? 50 
ATOM   2702 C CG  . GLU   B 1 105 ? 47.789 -3.752  -26.226 1.000 59.082  0 104 GLU   CCC CG  1 ? 50 
ATOM   2703 C CD  . GLU   B 1 105 ? 48.170 -4.511  -27.484 1.000 61.762  0 104 GLU   CCC CD  1 ? 50 
ATOM   2704 O OE1 . GLU   B 1 105 ? 47.367 -5.334  -27.970 1.000 62.589  0 104 GLU   CCC OE1 1 ? 50 
ATOM   2705 O OE2 . GLU   B 1 105 ? 49.287 -4.263  -27.974 1.000 66.674  0 104 GLU   CCC OE2 1 ? 50 
ATOM   2706 N N   . SER   B 1 106 ? 43.321 -2.414  -25.759 1.000 52.229  0 105 SER   CCC N   1 ? 50 
ATOM   2707 C CA  . SER   B 1 106 ? 41.892 -2.577  -25.389 1.000 55.184  0 105 SER   CCC CA  1 ? 50 
ATOM   2708 C C   . SER   B 1 106 ? 41.026 -2.420  -26.649 1.000 54.059  0 105 SER   CCC C   1 ? 50 
ATOM   2709 O O   . SER   B 1 106 ? 40.020 -3.147  -26.781 1.000 55.312  0 105 SER   CCC O   1 ? 50 
ATOM   2710 C CB  . SER   B 1 106 ? 41.466 -1.642  -24.285 1.000 57.210  0 105 SER   CCC CB  1 ? 50 
ATOM   2711 O OG  . SER   B 1 106 ? 41.243 -0.328  -24.778 1.000 57.348  0 105 SER   CCC OG  1 ? 50 
ATOM   2712 N N   . LYS   B 1 107 ? 41.405 -1.526  -27.557 1.000 51.494  0 106 LYS   CCC N   1 ? 50 
ATOM   2713 C CA  . LYS   B 1 107 ? 40.681 -1.332  -28.836 1.000 50.532  0 106 LYS   CCC CA  1 ? 50 
ATOM   2714 C C   . LYS   B 1 107 ? 41.009 -2.491  -29.797 1.000 48.913  0 106 LYS   CCC C   1 ? 50 
ATOM   2715 O O   . LYS   B 1 107 ? 40.092 -3.039  -30.416 1.000 45.495  0 106 LYS   CCC O   1 ? 50 
ATOM   2716 C CB  . LYS   B 1 107 ? 41.063 0.006   -29.471 1.000 54.123  0 106 LYS   CCC CB  1 ? 50 
ATOM   2717 C CG  . LYS   B 1 107 ? 40.933 1.250   -28.604 1.000 55.460  0 106 LYS   CCC CG  1 ? 50 
ATOM   2718 C CD  . LYS   B 1 107 ? 39.565 1.422   -28.023 1.000 57.543  0 106 LYS   CCC CD  1 ? 50 
ATOM   2719 C CE  . LYS   B 1 107 ? 39.454 2.672   -27.162 1.000 59.857  0 106 LYS   CCC CE  1 ? 50 
ATOM   2720 N NZ  . LYS   B 1 107 ? 38.426 2.486   -26.114 1.000 63.475  0 106 LYS   CCC NZ  1 ? 50 
ATOM   2721 N N   . LEU   B 1 108 ? 42.291 -2.839  -29.931 1.000 49.715  0 107 LEU   CCC N   1 ? 50 
ATOM   2722 C CA  . LEU   B 1 108 ? 42.774 -3.909  -30.847 1.000 49.007  0 107 LEU   CCC CA  1 ? 50 
ATOM   2723 C C   . LEU   B 1 108 ? 42.163 -5.252  -30.455 1.000 49.263  0 107 LEU   CCC C   1 ? 50 
ATOM   2724 O O   . LEU   B 1 108 ? 41.901 -6.040  -31.366 1.000 52.145  0 107 LEU   CCC O   1 ? 50 
ATOM   2725 C CB  . LEU   B 1 108 ? 44.306 -3.951  -30.819 1.000 49.867  0 107 LEU   CCC CB  1 ? 50 
ATOM   2726 C CG  . LEU   B 1 108 ? 44.968 -2.743  -31.492 1.000 50.587  0 107 LEU   CCC CG  1 ? 50 
ATOM   2727 C CD1 . LEU   B 1 108 ? 46.438 -2.632  -31.124 1.000 50.871  0 107 LEU   CCC CD1 1 ? 50 
ATOM   2728 C CD2 . LEU   B 1 108 ? 44.786 -2.814  -32.999 1.000 52.398  0 107 LEU   CCC CD2 1 ? 50 
ATOM   2729 N N   . ALA   B 1 109 ? 41.916 -5.506  -29.168 1.000 49.492  0 108 ALA   CCC N   1 ? 50 
ATOM   2730 C CA  . ALA   B 1 109 ? 41.344 -6.792  -28.702 1.000 50.913  0 108 ALA   CCC CA  1 ? 50 
ATOM   2731 C C   . ALA   B 1 109 ? 39.907 -6.923  -29.221 1.000 51.330  0 108 ALA   CCC C   1 ? 50 
ATOM   2732 O O   . ALA   B 1 109 ? 39.502 -8.062  -29.551 1.000 55.083  0 108 ALA   CCC O   1 ? 50 
ATOM   2733 C CB  . ALA   B 1 109 ? 41.403 -6.897  -27.195 1.000 53.953  0 108 ALA   CCC CB  1 ? 50 
ATOM   2734 N N   . ILE   B 1 110 ? 39.165 -5.808  -29.294 1.000 49.532  0 109 ILE   CCC N   1 ? 50 
ATOM   2735 C CA  . ILE   B 1 110 ? 37.775 -5.780  -29.840 1.000 48.447  0 109 ILE   CCC CA  1 ? 50 
ATOM   2736 C C   . ILE   B 1 110 ? 37.852 -5.908  -31.364 1.000 47.693  0 109 ILE   CCC C   1 ? 50 
ATOM   2737 O O   . ILE   B 1 110 ? 37.170 -6.778  -31.944 1.000 46.857  0 109 ILE   CCC O   1 ? 50 
ATOM   2738 C CB  . ILE   B 1 110 ? 37.025 -4.514  -29.379 1.000 48.499  0 109 ILE   CCC CB  1 ? 50 
ATOM   2739 C CG1 . ILE   B 1 110 ? 36.748 -4.571  -27.874 1.000 50.922  0 109 ILE   CCC CG1 1 ? 50 
ATOM   2740 C CG2 . ILE   B 1 110 ? 35.740 -4.319  -30.169 1.000 49.361  0 109 ILE   CCC CG2 1 ? 50 
ATOM   2741 C CD1 . ILE   B 1 110 ? 36.360 -3.252  -27.263 1.000 53.097  0 109 ILE   CCC CD1 1 ? 50 
ATOM   2742 N N   . TRP   B 1 111 ? 38.675 -5.087  -32.006 1.000 46.978  0 110 TRP   CCC N   1 ? 50 
ATOM   2743 C CA  . TRP   B 1 111 ? 38.770 -5.074  -33.487 1.000 45.497  0 110 TRP   CCC CA  1 ? 50 
ATOM   2744 C C   . TRP   B 1 111 ? 39.191 -6.451  -34.021 1.000 45.663  0 110 TRP   CCC C   1 ? 50 
ATOM   2745 O O   . TRP   B 1 111 ? 38.806 -6.773  -35.154 1.000 48.137  0 110 TRP   CCC O   1 ? 50 
ATOM   2746 C CB  . TRP   B 1 111 ? 39.714 -3.967  -33.940 1.000 44.095  0 110 TRP   CCC CB  1 ? 50 
ATOM   2747 C CG  . TRP   B 1 111 ? 39.109 -2.602  -33.874 1.000 44.533  0 110 TRP   CCC CG  1 ? 50 
ATOM   2748 C CD1 . TRP   B 1 111 ? 37.813 -2.249  -34.127 1.000 46.243  0 110 TRP   CCC CD1 1 ? 50 
ATOM   2749 C CD2 . TRP   B 1 111 ? 39.815 -1.379  -33.621 1.000 44.967  0 110 TRP   CCC CD2 1 ? 50 
ATOM   2750 N NE1 . TRP   B 1 111 ? 37.664 -0.893  -34.017 1.000 47.705  0 110 TRP   CCC NE1 1 ? 50 
ATOM   2751 C CE2 . TRP   B 1 111 ? 38.877 -0.333  -33.717 1.000 46.728  0 110 TRP   CCC CE2 1 ? 50 
ATOM   2752 C CE3 . TRP   B 1 111 ? 41.144 -1.070  -33.338 1.000 45.097  0 110 TRP   CCC CE3 1 ? 50 
ATOM   2753 C CZ2 . TRP   B 1 111 ? 39.227 0.995   -33.512 1.000 49.038  0 110 TRP   CCC CZ2 1 ? 50 
ATOM   2754 C CZ3 . TRP   B 1 111 ? 41.495 0.244   -33.137 1.000 47.203  0 110 TRP   CCC CZ3 1 ? 50 
ATOM   2755 C CH2 . TRP   B 1 111 ? 40.544 1.263   -33.220 1.000 49.611  0 110 TRP   CCC CH2 1 ? 50 
ATOM   2756 N N   . ALA   B 1 112 ? 39.945 -7.227  -33.240 1.000 44.905  0 111 ALA   CCC N   1 ? 50 
ATOM   2757 C CA  . ALA   B 1 112 ? 40.431 -8.576  -33.604 1.000 47.586  0 111 ALA   CCC CA  1 ? 50 
ATOM   2758 C C   . ALA   B 1 112 ? 39.263 -9.526  -33.921 1.000 49.068  0 111 ALA   CCC C   1 ? 50 
ATOM   2759 O O   . ALA   B 1 112 ? 39.505 -10.498 -34.647 1.000 48.983  0 111 ALA   CCC O   1 ? 50 
ATOM   2760 C CB  . ALA   B 1 112 ? 41.316 -9.124  -32.513 1.000 49.478  0 111 ALA   CCC CB  1 ? 50 
ATOM   2761 N N   A ARG   B 1 113 ? 38.057 -9.239  -33.419 0.500 49.890  0 112 ARG   CCC N   1 ? 50 
ATOM   2762 N N   B ARG   B 1 113 ? 38.053 -9.246  -33.425 0.500 49.528  0 112 ARG   CCC N   1 ? 50 
ATOM   2763 C CA  A ARG   B 1 113 ? 36.829 -10.039 -33.681 0.500 51.243  0 112 ARG   CCC CA  1 ? 50 
ATOM   2764 C CA  B ARG   B 1 113 ? 36.837 -10.060 -33.709 0.500 50.568  0 112 ARG   CCC CA  1 ? 50 
ATOM   2765 C C   A ARG   B 1 113 ? 36.081 -9.530  -34.916 0.500 50.802  0 112 ARG   CCC C   1 ? 50 
ATOM   2766 C C   B ARG   B 1 113 ? 36.174 -9.618  -35.020 0.500 49.892  0 112 ARG   CCC C   1 ? 50 
ATOM   2767 O O   A ARG   B 1 113 ? 35.073 -10.159 -35.275 0.500 52.703  0 112 ARG   CCC O   1 ? 50 
ATOM   2768 O O   B ARG   B 1 113 ? 35.428 -10.444 -35.597 0.500 49.362  0 112 ARG   CCC O   1 ? 50 
ATOM   2769 C CB  A ARG   B 1 113 ? 35.860 -9.961  -32.499 0.500 53.483  0 112 ARG   CCC CB  1 ? 50 
ATOM   2770 C CB  B ARG   B 1 113 ? 35.844 -9.965  -32.552 0.500 52.793  0 112 ARG   CCC CB  1 ? 50 
ATOM   2771 C CG  A ARG   B 1 113 ? 36.380 -10.607 -31.229 0.500 55.953  0 112 ARG   CCC CG  1 ? 50 
ATOM   2772 C CG  B ARG   B 1 113 ? 36.282 -10.757 -31.336 0.500 55.409  0 112 ARG   CCC CG  1 ? 50 
ATOM   2773 C CD  A ARG   B 1 113 ? 35.245 -10.818 -30.244 0.500 59.122  0 112 ARG   CCC CD  1 ? 50 
ATOM   2774 C CD  B ARG   B 1 113 ? 35.173 -10.803 -30.313 0.500 58.463  0 112 ARG   CCC CD  1 ? 50 
ATOM   2775 N NE  A ARG   B 1 113 ? 34.779 -9.606  -29.577 0.500 59.714  0 112 ARG   CCC NE  1 ? 50 
ATOM   2776 N NE  B ARG   B 1 113 ? 35.214 -9.637  -29.445 0.500 58.888  0 112 ARG   CCC NE  1 ? 50 
ATOM   2777 C CZ  A ARG   B 1 113 ? 35.465 -8.924  -28.661 0.500 59.067  0 112 ARG   CCC CZ  1 ? 50 
ATOM   2778 C CZ  B ARG   B 1 113 ? 34.234 -8.753  -29.320 0.500 58.823  0 112 ARG   CCC CZ  1 ? 50 
ATOM   2779 N NH1 A ARG   B 1 113 ? 36.691 -9.287  -28.320 0.500 56.987  0 112 ARG   CCC NH1 1 ? 50 
ATOM   2780 N NH1 B ARG   B 1 113 ? 33.121 -8.897  -30.018 0.500 58.991  0 112 ARG   CCC NH1 1 ? 50 
ATOM   2781 N NH2 A ARG   B 1 113 ? 34.927 -7.855  -28.104 0.500 60.140  0 112 ARG   CCC NH2 1 ? 50 
ATOM   2782 N NH2 B ARG   B 1 113 ? 34.376 -7.737  -28.488 0.500 59.774  0 112 ARG   CCC NH2 1 ? 50 
ATOM   2783 N N   . TYR   B 1 114 ? 36.521 -8.430  -35.530 1.000 48.769  0 113 TYR   CCC N   1 ? 50 
ATOM   2784 C CA  . TYR   B 1 114 ? 35.838 -7.820  -36.701 1.000 49.360  0 113 TYR   CCC CA  1 ? 50 
ATOM   2785 C C   . TYR   B 1 114 ? 36.771 -7.755  -37.920 1.000 51.279  0 113 TYR   CCC C   1 ? 50 
ATOM   2786 O O   . TYR   B 1 114 ? 36.226 -7.714  -39.043 1.000 57.111  0 113 TYR   CCC O   1 ? 50 
ATOM   2787 C CB  . TYR   B 1 114 ? 35.288 -6.459  -36.296 1.000 50.261  0 113 TYR   CCC CB  1 ? 50 
ATOM   2788 C CG  . TYR   B 1 114 ? 34.229 -6.543  -35.232 1.000 51.227  0 113 TYR   CCC CG  1 ? 50 
ATOM   2789 C CD1 . TYR   B 1 114 ? 34.564 -6.520  -33.890 1.000 51.875  0 113 TYR   CCC CD1 1 ? 50 
ATOM   2790 C CD2 . TYR   B 1 114 ? 32.893 -6.662  -35.564 1.000 53.413  0 113 TYR   CCC CD2 1 ? 50 
ATOM   2791 C CE1 . TYR   B 1 114 ? 33.601 -6.618  -32.893 1.000 54.218  0 113 TYR   CCC CE1 1 ? 50 
ATOM   2792 C CE2 . TYR   B 1 114 ? 31.916 -6.755  -34.583 1.000 56.857  0 113 TYR   CCC CE2 1 ? 50 
ATOM   2793 C CZ  . TYR   B 1 114 ? 32.267 -6.714  -33.243 1.000 56.088  0 113 TYR   CCC CZ  1 ? 50 
ATOM   2794 O OH  . TYR   B 1 114 ? 31.295 -6.805  -32.298 1.000 60.828  0 113 TYR   CCC OH  1 ? 50 
ATOM   2795 N N   . LEU   B 1 115 ? 38.097 -7.746  -37.723 1.000 49.841  0 114 LEU   CCC N   1 ? 50 
ATOM   2796 C CA  . LEU   B 1 115 ? 39.085 -7.565  -38.821 1.000 50.640  0 114 LEU   CCC CA  1 ? 50 
ATOM   2797 C C   . LEU   B 1 115 ? 39.791 -8.887  -39.117 1.000 50.997  0 114 LEU   CCC C   1 ? 50 
ATOM   2798 O O   . LEU   B 1 115 ? 39.989 -9.681  -38.168 1.000 53.639  0 114 LEU   CCC O   1 ? 50 
ATOM   2799 C CB  . LEU   B 1 115 ? 40.104 -6.502  -38.409 1.000 50.277  0 114 LEU   CCC CB  1 ? 50 
ATOM   2800 C CG  . LEU   B 1 115 ? 39.535 -5.126  -38.058 1.000 48.851  0 114 LEU   CCC CG  1 ? 50 
ATOM   2801 C CD1 . LEU   B 1 115 ? 40.651 -4.174  -37.671 1.000 50.543  0 114 LEU   CCC CD1 1 ? 50 
ATOM   2802 C CD2 . LEU   B 1 115 ? 38.719 -4.534  -39.204 1.000 50.986  0 114 LEU   CCC CD2 1 ? 50 
ATOM   2803 N N   . ASN   B 1 116 ? 40.213 -9.091  -40.372 1.000 52.395  0 115 ASN   CCC N   1 ? 50 
ATOM   2804 C CA  . ASN   B 1 116 ? 41.105 -10.219 -40.750 1.000 52.997  0 115 ASN   CCC CA  1 ? 50 
ATOM   2805 C C   . ASN   B 1 116 ? 42.518 -9.893  -40.261 1.000 55.741  0 115 ASN   CCC C   1 ? 50 
ATOM   2806 O O   . ASN   B 1 116 ? 42.739 -8.756  -39.843 1.000 53.874  0 115 ASN   CCC O   1 ? 50 
ATOM   2807 C CB  . ASN   B 1 116 ? 41.036 -10.544 -42.247 1.000 54.758  0 115 ASN   CCC CB  1 ? 50 
ATOM   2808 C CG  . ASN   B 1 116 ? 41.558 -9.445  -43.149 1.000 56.093  0 115 ASN   CCC CG  1 ? 50 
ATOM   2809 O OD1 . ASN   B 1 116 ? 42.497 -8.732  -42.810 1.000 58.034  0 115 ASN   CCC OD1 1 ? 50 
ATOM   2810 N ND2 . ASN   B 1 116 ? 40.961 -9.312  -44.313 1.000 57.331  0 115 ASN   CCC ND2 1 ? 50 
ATOM   2811 N N   . ALA   B 1 117 ? 43.421 -10.875 -40.282 1.000 56.765  0 116 ALA   CCC N   1 ? 51 
ATOM   2812 C CA  . ALA   B 1 117 ? 44.802 -10.775 -39.756 1.000 57.531  0 116 ALA   CCC CA  1 ? 51 
ATOM   2813 C C   . ALA   B 1 117 ? 45.533 -9.587  -40.405 1.000 57.951  0 116 ALA   CCC C   1 ? 51 
ATOM   2814 O O   . ALA   B 1 117 ? 46.237 -8.870  -39.679 1.000 57.126  0 116 ALA   CCC O   1 ? 51 
ATOM   2815 C CB  . ALA   B 1 117 ? 45.538 -12.074 -39.983 1.000 58.319  0 116 ALA   CCC CB  1 ? 51 
ATOM   2816 N N   . GLU   B 1 118 ? 45.369 -9.395  -41.713 1.000 59.350  0 117 GLU   CCC N   1 ? 51 
ATOM   2817 C CA  . GLU   B 1 118 ? 46.067 -8.335  -42.483 1.000 62.050  0 117 GLU   CCC CA  1 ? 51 
ATOM   2818 C C   . GLU   B 1 118 ? 45.578 -6.959  -42.007 1.000 59.351  0 117 GLU   CCC C   1 ? 51 
ATOM   2819 O O   . GLU   B 1 118 ? 46.419 -6.096  -41.708 1.000 57.469  0 117 GLU   CCC O   1 ? 51 
ATOM   2820 C CB  . GLU   B 1 118 ? 45.820 -8.519  -43.983 1.000 67.017  0 117 GLU   CCC CB  1 ? 51 
ATOM   2821 C CG  . GLU   B 1 118 ? 46.565 -9.695  -44.595 1.000 74.089  0 117 GLU   CCC CG  1 ? 51 
ATOM   2822 C CD  . GLU   B 1 118 ? 45.948 -11.075 -44.375 1.000 81.634  0 117 GLU   CCC CD  1 ? 51 
ATOM   2823 O OE1 . GLU   B 1 118 ? 44.750 -11.162 -43.958 1.000 81.142  0 117 GLU   CCC OE1 1 ? 51 
ATOM   2824 O OE2 . GLU   B 1 118 ? 46.665 -12.075 -44.629 1.000 87.225  0 117 GLU   CCC OE2 1 ? 51 
ATOM   2825 N N   . GLU   B 1 119 ? 44.261 -6.766  -41.938 1.000 57.193  0 118 GLU   CCC N   1 ? 51 
ATOM   2826 C CA  . GLU   B 1 119 ? 43.634 -5.486  -41.526 1.000 56.883  0 118 GLU   CCC CA  1 ? 51 
ATOM   2827 C C   . GLU   B 1 119 ? 44.057 -5.156  -40.087 1.000 54.517  0 118 GLU   CCC C   1 ? 51 
ATOM   2828 O O   . GLU   B 1 119 ? 44.376 -3.986  -39.820 1.000 53.567  0 118 GLU   CCC O   1 ? 51 
ATOM   2829 C CB  . GLU   B 1 119 ? 42.112 -5.569  -41.645 1.000 58.164  0 118 GLU   CCC CB  1 ? 51 
ATOM   2830 C CG  . GLU   B 1 119 ? 41.595 -5.632  -43.074 1.000 59.754  0 118 GLU   CCC CG  1 ? 51 
ATOM   2831 C CD  . GLU   B 1 119 ? 40.141 -6.073  -43.170 1.000 62.265  0 118 GLU   CCC CD  1 ? 51 
ATOM   2832 O OE1 . GLU   B 1 119 ? 39.698 -6.881  -42.293 1.000 61.402  0 118 GLU   CCC OE1 1 ? 51 
ATOM   2833 O OE2 . GLU   B 1 119 ? 39.437 -5.586  -44.093 1.000 64.330  0 118 GLU   CCC OE2 1 ? 51 
ATOM   2834 N N   . LEU   B 1 120 ? 44.084 -6.149  -39.196 1.000 53.235  0 119 LEU   CCC N   1 ? 51 
ATOM   2835 C CA  . LEU   B 1 120 ? 44.418 -5.926  -37.764 1.000 52.440  0 119 LEU   CCC CA  1 ? 51 
ATOM   2836 C C   . LEU   B 1 120 ? 45.901 -5.561  -37.662 1.000 52.056  0 119 LEU   CCC C   1 ? 51 
ATOM   2837 O O   . LEU   B 1 120 ? 46.216 -4.710  -36.844 1.000 51.227  0 119 LEU   CCC O   1 ? 51 
ATOM   2838 C CB  . LEU   B 1 120 ? 44.100 -7.174  -36.942 1.000 51.049  0 119 LEU   CCC CB  1 ? 51 
ATOM   2839 C CG  . LEU   B 1 120 ? 44.318 -7.055  -35.435 1.000 51.005  0 119 LEU   CCC CG  1 ? 51 
ATOM   2840 C CD1 . LEU   B 1 120 ? 43.273 -6.154  -34.779 1.000 50.863  0 119 LEU   CCC CD1 1 ? 51 
ATOM   2841 C CD2 . LEU   B 1 120 ? 44.299 -8.439  -34.791 1.000 52.605  0 119 LEU   CCC CD2 1 ? 51 
ATOM   2842 N N   . ALA   B 1 121 ? 46.774 -6.194  -38.446 1.000 52.447  0 120 ALA   CCC N   1 ? 51 
ATOM   2843 C CA  . ALA   B 1 121 ? 48.234 -5.925  -38.434 1.000 53.982  0 120 ALA   CCC CA  1 ? 51 
ATOM   2844 C C   . ALA   B 1 121 ? 48.470 -4.477  -38.880 1.000 53.235  0 120 ALA   CCC C   1 ? 51 
ATOM   2845 O O   . ALA   B 1 121 ? 49.304 -3.790  -38.265 1.000 55.183  0 120 ALA   CCC O   1 ? 51 
ATOM   2846 C CB  . ALA   B 1 121 ? 48.980 -6.911  -39.311 1.000 54.683  0 120 ALA   CCC CB  1 ? 51 
ATOM   2847 N N   . PHE   B 1 122 ? 47.754 -4.031  -39.909 1.000 52.453  0 121 PHE   CCC N   1 ? 51 
ATOM   2848 C CA  . PHE   B 1 122 ? 47.834 -2.643  -40.428 1.000 53.099  0 121 PHE   CCC CA  1 ? 51 
ATOM   2849 C C   . PHE   B 1 122 ? 47.419 -1.684  -39.304 1.000 51.551  0 121 PHE   CCC C   1 ? 51 
ATOM   2850 O O   . PHE   B 1 122 ? 48.146 -0.716  -39.013 1.000 51.158  0 121 PHE   CCC O   1 ? 51 
ATOM   2851 C CB  . PHE   B 1 122 ? 46.965 -2.475  -41.678 1.000 53.222  0 121 PHE   CCC CB  1 ? 51 
ATOM   2852 C CG  . PHE   B 1 122 ? 47.071 -1.111  -42.298 1.000 53.461  0 121 PHE   CCC CG  1 ? 51 
ATOM   2853 C CD1 . PHE   B 1 122 ? 46.316 -0.046  -41.821 1.000 52.563  0 121 PHE   CCC CD1 1 ? 51 
ATOM   2854 C CD2 . PHE   B 1 122 ? 47.966 -0.887  -43.332 1.000 54.367  0 121 PHE   CCC CD2 1 ? 51 
ATOM   2855 C CE1 . PHE   B 1 122 ? 46.453 1.218   -42.370 1.000 53.591  0 121 PHE   CCC CE1 1 ? 51 
ATOM   2856 C CE2 . PHE   B 1 122 ? 48.092 0.376   -43.885 1.000 54.740  0 121 PHE   CCC CE2 1 ? 51 
ATOM   2857 C CZ  . PHE   B 1 122 ? 47.344 1.425   -43.398 1.000 53.437  0 121 PHE   CCC CZ  1 ? 51 
ATOM   2858 N N   . THR   B 1 123 ? 46.275 -1.944  -38.672 1.000 48.693  0 122 THR   CCC N   1 ? 51 
ATOM   2859 C CA  . THR   B 1 123 ? 45.711 -1.045  -37.638 1.000 47.106  0 122 THR   CCC CA  1 ? 51 
ATOM   2860 C C   . THR   B 1 123 ? 46.634 -1.022  -36.413 1.000 47.415  0 122 THR   CCC C   1 ? 51 
ATOM   2861 O O   . THR   B 1 123 ? 46.850 0.075   -35.870 1.000 47.137  0 122 THR   CCC O   1 ? 51 
ATOM   2862 C CB  . THR   B 1 123 ? 44.270 -1.413  -37.307 1.000 45.423  0 122 THR   CCC CB  1 ? 51 
ATOM   2863 O OG1 . THR   B 1 123 ? 43.562 -1.140  -38.512 1.000 45.434  0 122 THR   CCC OG1 1 ? 51 
ATOM   2864 C CG2 . THR   B 1 123 ? 43.710 -0.581  -36.174 1.000 47.117  0 122 THR   CCC CG2 1 ? 51 
ATOM   2865 N N   . ARG   B 1 124 ? 47.187 -2.165  -36.012 1.000 49.389  0 123 ARG   CCC N   1 ? 51 
ATOM   2866 C CA  . ARG   B 1 124 ? 48.156 -2.228  -34.887 1.000 53.677  0 123 ARG   CCC CA  1 ? 51 
ATOM   2867 C C   . ARG   B 1 124 ? 49.352 -1.332  -35.216 1.000 53.205  0 123 ARG   CCC C   1 ? 51 
ATOM   2868 O O   . ARG   B 1 124 ? 49.796 -0.609  -34.323 1.000 53.869  0 123 ARG   CCC O   1 ? 51 
ATOM   2869 C CB  . ARG   B 1 124 ? 48.594 -3.669  -34.604 1.000 55.065  0 123 ARG   CCC CB  1 ? 51 
ATOM   2870 C CG  . ARG   B 1 124 ? 49.752 -3.784  -33.620 1.000 58.127  0 123 ARG   CCC CG  1 ? 51 
ATOM   2871 C CD  . ARG   B 1 124 ? 50.098 -5.225  -33.298 1.000 62.723  0 123 ARG   CCC CD  1 ? 51 
ATOM   2872 N NE  . ARG   B 1 124 ? 49.016 -5.832  -32.528 1.000 66.193  0 123 ARG   CCC NE  1 ? 51 
ATOM   2873 C CZ  . ARG   B 1 124 ? 48.809 -5.635  -31.227 1.000 67.988  0 123 ARG   CCC CZ  1 ? 51 
ATOM   2874 N NH1 . ARG   B 1 124 ? 49.627 -4.857  -30.537 1.000 66.935  0 123 ARG   CCC NH1 1 ? 51 
ATOM   2875 N NH2 . ARG   B 1 124 ? 47.775 -6.205  -30.622 1.000 68.234  0 123 ARG   CCC NH2 1 ? 51 
ATOM   2876 N N   . GLN   B 1 125 ? 49.839 -1.393  -36.451 1.000 55.824  0 124 GLN   CCC N   1 ? 51 
ATOM   2877 C CA  . GLN   B 1 125 ? 51.051 -0.672  -36.912 1.000 60.751  0 124 GLN   CCC CA  1 ? 51 
ATOM   2878 C C   . GLN   B 1 125 ? 50.775 0.835   -36.910 1.000 58.460  0 124 GLN   CCC C   1 ? 51 
ATOM   2879 O O   . GLN   B 1 125 ? 51.648 1.560   -36.432 1.000 61.219  0 124 GLN   CCC O   1 ? 51 
ATOM   2880 C CB  . GLN   B 1 125 ? 51.473 -1.181  -38.297 1.000 67.273  0 124 GLN   CCC CB  1 ? 51 
ATOM   2881 C CG  . GLN   B 1 125 ? 52.583 -0.376  -38.970 1.000 74.249  0 124 GLN   CCC CG  1 ? 51 
ATOM   2882 C CD  . GLN   B 1 125 ? 53.924 -0.618  -38.328 1.000 81.918  0 124 GLN   CCC CD  1 ? 51 
ATOM   2883 O OE1 . GLN   B 1 125 ? 54.501 -1.698  -38.448 1.000 91.115  0 124 GLN   CCC OE1 1 ? 51 
ATOM   2884 N NE2 . GLN   B 1 125 ? 54.427 0.389   -37.630 1.000 84.298  0 124 GLN   CCC NE2 1 ? 51 
ATOM   2885 N N   . HIS   B 1 126 ? 49.601 1.276   -37.375 1.000 54.755  0 125 HIS   CCC N   1 ? 51 
ATOM   2886 C CA  . HIS   B 1 126 ? 49.336 2.687   -37.752 1.000 52.654  0 125 HIS   CCC CA  1 ? 51 
ATOM   2887 C C   . HIS   B 1 126 ? 48.464 3.402   -36.708 1.000 52.490  0 125 HIS   CCC C   1 ? 51 
ATOM   2888 O O   . HIS   B 1 126 ? 48.249 4.633   -36.857 1.000 51.412  0 125 HIS   CCC O   1 ? 51 
ATOM   2889 C CB  . HIS   B 1 126 ? 48.752 2.739   -39.163 1.000 50.684  0 125 HIS   CCC CB  1 ? 51 
ATOM   2890 C CG  . HIS   B 1 126 ? 49.715 2.316   -40.217 1.000 52.217  0 125 HIS   CCC CG  1 ? 51 
ATOM   2891 N ND1 . HIS   B 1 126 ? 50.813 3.072   -40.566 1.000 54.628  0 125 HIS   CCC ND1 1 ? 51 
ATOM   2892 C CD2 . HIS   B 1 126 ? 49.759 1.229   -41.016 1.000 53.428  0 125 HIS   CCC CD2 1 ? 51 
ATOM   2893 C CE1 . HIS   B 1 126 ? 51.489 2.468   -41.525 1.000 54.511  0 125 HIS   CCC CE1 1 ? 51 
ATOM   2894 N NE2 . HIS   B 1 126 ? 50.866 1.338   -41.817 1.000 54.448  0 125 HIS   CCC NE2 1 ? 51 
ATOM   2895 N N   . TYR   B 1 127 ? 48.042 2.701   -35.655 1.000 51.961  0 126 TYR   CCC N   1 ? 51 
ATOM   2896 C CA  . TYR   B 1 127 ? 47.176 3.257   -34.590 1.000 51.954  0 126 TYR   CCC CA  1 ? 51 
ATOM   2897 C C   . TYR   B 1 127 ? 47.761 4.568   -34.023 1.000 49.722  0 126 TYR   CCC C   1 ? 51 
ATOM   2898 O O   . TYR   B 1 127 ? 46.998 5.533   -33.820 1.000 47.858  0 126 TYR   CCC O   1 ? 51 
ATOM   2899 C CB  . TYR   B 1 127 ? 46.943 2.219   -33.486 1.000 55.368  0 126 TYR   CCC CB  1 ? 51 
ATOM   2900 C CG  . TYR   B 1 127 ? 46.016 2.716   -32.401 1.000 58.697  0 126 TYR   CCC CG  1 ? 51 
ATOM   2901 C CD1 . TYR   B 1 127 ? 44.645 2.803   -32.607 1.000 61.903  0 126 TYR   CCC CD1 1 ? 51 
ATOM   2902 C CD2 . TYR   B 1 127 ? 46.519 3.217   -31.212 1.000 61.318  0 126 TYR   CCC CD2 1 ? 51 
ATOM   2903 C CE1 . TYR   B 1 127 ? 43.795 3.297   -31.629 1.000 65.890  0 126 TYR   CCC CE1 1 ? 51 
ATOM   2904 C CE2 . TYR   B 1 127 ? 45.686 3.725   -30.230 1.000 65.146  0 126 TYR   CCC CE2 1 ? 51 
ATOM   2905 C CZ  . TYR   B 1 127 ? 44.316 3.747   -30.427 1.000 67.112  0 126 TYR   CCC CZ  1 ? 51 
ATOM   2906 O OH  . TYR   B 1 127 ? 43.500 4.241   -29.446 1.000 71.065  0 126 TYR   CCC OH  1 ? 51 
ATOM   2907 N N   . PHE   B 1 128 ? 49.069 4.607   -33.779 1.000 49.487  0 127 PHE   CCC N   1 ? 51 
ATOM   2908 C CA  . PHE   B 1 128 ? 49.761 5.715   -33.066 1.000 54.143  0 127 PHE   CCC CA  1 ? 51 
ATOM   2909 C C   . PHE   B 1 128 ? 50.185 6.844   -34.024 1.000 52.850  0 127 PHE   CCC C   1 ? 51 
ATOM   2910 O O   . PHE   B 1 128 ? 50.524 7.916   -33.520 1.000 54.791  0 127 PHE   CCC O   1 ? 51 
ATOM   2911 C CB  . PHE   B 1 128 ? 50.980 5.186   -32.302 1.000 57.995  0 127 PHE   CCC CB  1 ? 51 
ATOM   2912 C CG  . PHE   B 1 128 ? 50.662 4.085   -31.327 1.000 61.225  0 127 PHE   CCC CG  1 ? 51 
ATOM   2913 C CD1 . PHE   B 1 128 ? 50.143 4.370   -30.074 1.000 64.149  0 127 PHE   CCC CD1 1 ? 51 
ATOM   2914 C CD2 . PHE   B 1 128 ? 50.834 2.754   -31.689 1.000 63.904  0 127 PHE   CCC CD2 1 ? 51 
ATOM   2915 C CE1 . PHE   B 1 128 ? 49.826 3.343   -29.196 1.000 66.636  0 127 PHE   CCC CE1 1 ? 51 
ATOM   2916 C CE2 . PHE   B 1 128 ? 50.501 1.729   -30.815 1.000 65.716  0 127 PHE   CCC CE2 1 ? 51 
ATOM   2917 C CZ  . PHE   B 1 128 ? 50.015 2.026   -29.564 1.000 65.992  0 127 PHE   CCC CZ  1 ? 51 
ATOM   2918 N N   . ASP   B 1 129 ? 50.144 6.624   -35.342 1.000 51.621  0 128 ASP   CCC N   1 ? 51 
ATOM   2919 C CA  . ASP   B 1 129 ? 50.704 7.545   -36.372 1.000 51.258  0 128 ASP   CCC CA  1 ? 51 
ATOM   2920 C C   . ASP   B 1 129 ? 50.248 8.987   -36.123 1.000 50.456  0 128 ASP   CCC C   1 ? 51 
ATOM   2921 O O   . ASP   B 1 129 ? 51.120 9.875   -36.071 1.000 51.192  0 128 ASP   CCC O   1 ? 51 
ATOM   2922 C CB  . ASP   B 1 129 ? 50.290 7.121   -37.785 1.000 51.893  0 128 ASP   CCC CB  1 ? 51 
ATOM   2923 C CG  . ASP   B 1 129 ? 51.024 5.900   -38.306 1.000 53.591  0 128 ASP   CCC CG  1 ? 51 
ATOM   2924 O OD1 . ASP   B 1 129 ? 51.768 5.289   -37.515 1.000 54.830  0 128 ASP   CCC OD1 1 ? 51 
ATOM   2925 O OD2 . ASP   B 1 129 ? 50.834 5.572   -39.497 1.000 56.525  0 128 ASP   CCC OD2 1 ? 51 
ATOM   2926 N N   . ARG   B 1 130 ? 48.936 9.202   -35.993 1.000 48.368  0 129 ARG   CCC N   1 ? 51 
ATOM   2927 C CA  . ARG   B 1 130 ? 48.308 10.542  -35.875 1.000 48.258  0 129 ARG   CCC CA  1 ? 51 
ATOM   2928 C C   . ARG   B 1 130 ? 47.479 10.631  -34.579 1.000 48.540  0 129 ARG   CCC C   1 ? 51 
ATOM   2929 O O   . ARG   B 1 130 ? 46.563 11.467  -34.519 1.000 48.921  0 129 ARG   CCC O   1 ? 51 
ATOM   2930 C CB  . ARG   B 1 130 ? 47.478 10.807  -37.131 1.000 48.381  0 129 ARG   CCC CB  1 ? 51 
ATOM   2931 C CG  . ARG   B 1 130 ? 48.301 10.724  -38.411 1.000 51.230  0 129 ARG   CCC CG  1 ? 51 
ATOM   2932 C CD  . ARG   B 1 130 ? 47.610 11.295  -39.634 1.000 52.364  0 129 ARG   CCC CD  1 ? 51 
ATOM   2933 N NE  . ARG   B 1 130 ? 47.263 12.702  -39.490 1.000 53.262  0 129 ARG   CCC NE  1 ? 51 
ATOM   2934 C CZ  . ARG   B 1 130 ? 46.433 13.358  -40.292 1.000 55.870  0 129 ARG   CCC CZ  1 ? 51 
ATOM   2935 N NH1 . ARG   B 1 130 ? 45.857 12.747  -41.309 1.000 57.488  0 129 ARG   CCC NH1 1 ? 51 
ATOM   2936 N NH2 . ARG   B 1 130 ? 46.174 14.634  -40.073 1.000 59.178  0 129 ARG   CCC NH2 1 ? 51 
ATOM   2937 N N   . LEU   B 1 131 ? 47.829 9.847   -33.560 1.000 67.433  0 130 LEU   CCC N   1 ? 52 
ATOM   2938 C CA  . LEU   B 1 131 ? 47.054 9.748   -32.294 1.000 67.785  0 130 LEU   CCC CA  1 ? 52 
ATOM   2939 C C   . LEU   B 1 131 ? 46.898 11.135  -31.647 1.000 67.730  0 130 LEU   CCC C   1 ? 52 
ATOM   2940 O O   . LEU   B 1 131 ? 45.827 11.408  -31.087 1.000 65.802  0 130 LEU   CCC O   1 ? 52 
ATOM   2941 C CB  . LEU   B 1 131 ? 47.792 8.771   -31.374 1.000 72.996  0 130 LEU   CCC CB  1 ? 52 
ATOM   2942 C CG  . LEU   B 1 131 ? 47.117 8.432   -30.049 1.000 75.432  0 130 LEU   CCC CG  1 ? 52 
ATOM   2943 C CD1 . LEU   B 1 131 ? 45.719 7.869   -30.269 1.000 73.094  0 130 LEU   CCC CD1 1 ? 52 
ATOM   2944 C CD2 . LEU   B 1 131 ? 47.975 7.430   -29.280 1.000 81.338  0 130 LEU   CCC CD2 1 ? 52 
ATOM   2945 N N   . MET   B 1 132 ? 47.927 11.981  -31.738 1.000 70.721  0 131 MET   CCC N   1 ? 52 
ATOM   2946 C CA  . MET   B 1 132 ? 48.004 13.286  -31.034 1.000 73.378  0 131 MET   CCC CA  1 ? 52 
ATOM   2947 C C   . MET   B 1 132 ? 46.987 14.288  -31.588 1.000 68.144  0 131 MET   CCC C   1 ? 52 
ATOM   2948 O O   . MET   B 1 132 ? 46.692 15.253  -30.868 1.000 69.287  0 131 MET   CCC O   1 ? 52 
ATOM   2949 C CB  . MET   B 1 132 ? 49.409 13.888  -31.143 1.000 80.561  0 131 MET   CCC CB  1 ? 52 
ATOM   2950 C CG  . MET   B 1 132 ? 50.396 13.238  -30.203 1.000 88.498  0 131 MET   CCC CG  1 ? 52 
ATOM   2951 S SD  . MET   B 1 132 ? 51.660 14.390  -29.594 1.000 103.072 0 131 MET   CCC SD  1 ? 52 
ATOM   2952 C CE  . MET   B 1 132 ? 50.661 15.741  -28.963 1.000 99.754  0 131 MET   CCC CE  1 ? 52 
ATOM   2953 N N   . GLU   B 1 133 ? 46.488 14.091  -32.808 1.000 65.416  0 132 GLU   CCC N   1 ? 52 
ATOM   2954 C CA  . GLU   B 1 133 ? 45.587 15.065  -33.488 1.000 63.315  0 132 GLU   CCC CA  1 ? 52 
ATOM   2955 C C   . GLU   B 1 133 ? 44.121 14.828  -33.106 1.000 60.429  0 132 GLU   CCC C   1 ? 52 
ATOM   2956 O O   . GLU   B 1 133 ? 43.285 15.645  -33.530 1.000 61.533  0 132 GLU   CCC O   1 ? 52 
ATOM   2957 C CB  . GLU   B 1 133 ? 45.738 14.962  -35.005 1.000 62.983  0 132 GLU   CCC CB  1 ? 52 
ATOM   2958 C CG  . GLU   B 1 133 ? 47.128 15.304  -35.513 1.000 66.387  0 132 GLU   CCC CG  1 ? 52 
ATOM   2959 C CD  . GLU   B 1 133 ? 47.205 15.298  -37.031 1.000 67.247  0 132 GLU   CCC CD  1 ? 52 
ATOM   2960 O OE1 . GLU   B 1 133 ? 46.378 15.971  -37.654 1.000 68.248  0 132 GLU   CCC OE1 1 ? 52 
ATOM   2961 O OE2 . GLU   B 1 133 ? 48.047 14.578  -37.591 1.000 68.231  0 132 GLU   CCC OE2 1 ? 52 
ATOM   2962 N N   . TRP   B 1 134 ? 43.802 13.754  -32.370 1.000 58.424  0 133 TRP   CCC N   1 ? 52 
ATOM   2963 C CA  . TRP   B 1 134 ? 42.393 13.371  -32.079 1.000 56.397  0 133 TRP   CCC CA  1 ? 52 
ATOM   2964 C C   . TRP   B 1 134 ? 41.733 14.369  -31.125 1.000 57.913  0 133 TRP   CCC C   1 ? 52 
ATOM   2965 O O   . TRP   B 1 134 ? 40.599 14.783  -31.363 1.000 57.128  0 133 TRP   CCC O   1 ? 52 
ATOM   2966 C CB  . TRP   B 1 134 ? 42.296 11.924  -31.575 1.000 55.533  0 133 TRP   CCC CB  1 ? 52 
ATOM   2967 C CG  . TRP   B 1 134 ? 42.239 10.924  -32.692 1.000 52.892  0 133 TRP   CCC CG  1 ? 52 
ATOM   2968 C CD1 . TRP   B 1 134 ? 43.264 10.150  -33.154 1.000 53.031  0 133 TRP   CCC CD1 1 ? 52 
ATOM   2969 C CD2 . TRP   B 1 134 ? 41.108 10.629  -33.526 1.000 51.534  0 133 TRP   CCC CD2 1 ? 52 
ATOM   2970 N NE1 . TRP   B 1 134 ? 42.838 9.379   -34.198 1.000 52.333  0 133 TRP   CCC NE1 1 ? 52 
ATOM   2971 C CE2 . TRP   B 1 134 ? 41.523 9.656   -34.458 1.000 51.802  0 133 TRP   CCC CE2 1 ? 52 
ATOM   2972 C CE3 . TRP   B 1 134 ? 39.788 11.088  -33.581 1.000 52.032  0 133 TRP   CCC CE3 1 ? 52 
ATOM   2973 C CZ2 . TRP   B 1 134 ? 40.665 9.137   -35.428 1.000 52.320  0 133 TRP   CCC CZ2 1 ? 52 
ATOM   2974 C CZ3 . TRP   B 1 134 ? 38.937 10.562  -34.527 1.000 52.787  0 133 TRP   CCC CZ3 1 ? 52 
ATOM   2975 C CH2 . TRP   B 1 134 ? 39.367 9.598   -35.434 1.000 53.535  0 133 TRP   CCC CH2 1 ? 52 
ATOM   2976 N N   . PRO   B 1 135 ? 42.396 14.785  -30.018 1.000 60.912  0 134 PRO   CCC N   1 ? 52 
ATOM   2977 C CA  . PRO   B 1 135 ? 41.793 15.740  -29.088 1.000 63.582  0 134 PRO   CCC CA  1 ? 52 
ATOM   2978 C C   . PRO   B 1 135 ? 41.271 17.020  -29.766 1.000 65.590  0 134 PRO   CCC C   1 ? 52 
ATOM   2979 O O   . PRO   B 1 135 ? 40.135 17.393  -29.492 1.000 65.909  0 134 PRO   CCC O   1 ? 52 
ATOM   2980 C CB  . PRO   B 1 135 ? 42.937 16.024  -28.109 1.000 65.618  0 134 PRO   CCC CB  1 ? 52 
ATOM   2981 C CG  . PRO   B 1 135 ? 43.740 14.748  -28.120 1.000 65.864  0 134 PRO   CCC CG  1 ? 52 
ATOM   2982 C CD  . PRO   B 1 135 ? 43.726 14.332  -29.571 1.000 63.018  0 134 PRO   CCC CD  1 ? 52 
ATOM   2983 N N   . ALA   B 1 136 ? 42.078 17.652  -30.626 1.000 66.761  0 135 ALA   CCC N   1 ? 52 
ATOM   2984 C CA  . ALA   B 1 136 ? 41.708 18.895  -31.351 1.000 67.461  0 135 ALA   CCC CA  1 ? 52 
ATOM   2985 C C   . ALA   B 1 136 ? 40.456 18.629  -32.196 1.000 65.651  0 135 ALA   CCC C   1 ? 52 
ATOM   2986 O O   . ALA   B 1 136 ? 39.534 19.478  -32.192 1.000 67.509  0 135 ALA   CCC O   1 ? 52 
ATOM   2987 C CB  . ALA   B 1 136 ? 42.852 19.400  -32.197 1.000 68.028  0 135 ALA   CCC CB  1 ? 52 
ATOM   2988 N N   . LEU   B 1 137 ? 40.401 17.485  -32.880 1.000 64.197  0 136 LEU   CCC N   1 ? 52 
ATOM   2989 C CA  . LEU   B 1 137 ? 39.239 17.142  -33.740 1.000 63.974  0 136 LEU   CCC CA  1 ? 52 
ATOM   2990 C C   . LEU   B 1 137 ? 38.016 16.905  -32.856 1.000 64.099  0 136 LEU   CCC C   1 ? 52 
ATOM   2991 O O   . LEU   B 1 137 ? 36.943 17.450  -33.182 1.000 67.361  0 136 LEU   CCC O   1 ? 52 
ATOM   2992 C CB  . LEU   B 1 137 ? 39.532 15.913  -34.600 1.000 62.482  0 136 LEU   CCC CB  1 ? 52 
ATOM   2993 C CG  . LEU   B 1 137 ? 38.330 15.407  -35.396 1.000 63.970  0 136 LEU   CCC CG  1 ? 52 
ATOM   2994 C CD1 . LEU   B 1 137 ? 37.810 16.480  -36.333 1.000 66.812  0 136 LEU   CCC CD1 1 ? 52 
ATOM   2995 C CD2 . LEU   B 1 137 ? 38.671 14.155  -36.167 1.000 64.083  0 136 LEU   CCC CD2 1 ? 52 
ATOM   2996 N N   . VAL   B 1 138 ? 38.165 16.111  -31.793 1.000 63.259  0 137 VAL   CCC N   1 ? 52 
ATOM   2997 C CA  . VAL   B 1 138 ? 37.031 15.764  -30.890 1.000 65.114  0 137 VAL   CCC CA  1 ? 52 
ATOM   2998 C C   . VAL   B 1 138 ? 36.503 17.063  -30.264 1.000 67.177  0 137 VAL   CCC C   1 ? 52 
ATOM   2999 O O   . VAL   B 1 138 ? 35.270 17.202  -30.152 1.000 67.495  0 137 VAL   CCC O   1 ? 52 
ATOM   3000 C CB  . VAL   B 1 138 ? 37.428 14.711  -29.839 1.000 65.641  0 137 VAL   CCC CB  1 ? 52 
ATOM   3001 C CG1 . VAL   B 1 138 ? 36.330 14.511  -28.799 1.000 68.360  0 137 VAL   CCC CG1 1 ? 52 
ATOM   3002 C CG2 . VAL   B 1 138 ? 37.773 13.383  -30.494 1.000 65.581  0 137 VAL   CCC CG2 1 ? 52 
ATOM   3003 N N   . ALA   B 1 139 ? 37.398 17.997  -29.923 1.000 68.207  0 138 ALA   CCC N   1 ? 52 
ATOM   3004 C CA  . ALA   B 1 139 ? 37.049 19.333  -29.389 1.000 71.796  0 138 ALA   CCC CA  1 ? 52 
ATOM   3005 C C   . ALA   B 1 139 ? 36.152 20.069  -30.392 1.000 74.538  0 138 ALA   CCC C   1 ? 52 
ATOM   3006 O O   . ALA   B 1 139 ? 35.089 20.584  -29.970 1.000 77.521  0 138 ALA   CCC O   1 ? 52 
ATOM   3007 C CB  . ALA   B 1 139 ? 38.296 20.121  -29.076 1.000 72.797  0 138 ALA   CCC CB  1 ? 52 
ATOM   3008 N N   . ASP   B 1 140 ? 36.553 20.103  -31.667 1.000 74.726  0 139 ASP   CCC N   1 ? 52 
ATOM   3009 C CA  . ASP   B 1 140 ? 35.829 20.828  -32.746 1.000 78.575  0 139 ASP   CCC CA  1 ? 52 
ATOM   3010 C C   . ASP   B 1 140 ? 34.463 20.161  -32.976 1.000 80.499  0 139 ASP   CCC C   1 ? 52 
ATOM   3011 O O   . ASP   B 1 140 ? 33.484 20.899  -33.222 1.000 84.456  0 139 ASP   CCC O   1 ? 52 
ATOM   3012 C CB  . ASP   B 1 140 ? 36.655 20.889  -34.032 1.000 79.453  0 139 ASP   CCC CB  1 ? 52 
ATOM   3013 C CG  . ASP   B 1 140 ? 37.962 21.653  -33.904 1.000 82.231  0 139 ASP   CCC CG  1 ? 52 
ATOM   3014 O OD1 . ASP   B 1 140 ? 38.155 22.314  -32.860 1.000 86.891  0 139 ASP   CCC OD1 1 ? 52 
ATOM   3015 O OD2 . ASP   B 1 140 ? 38.765 21.609  -34.857 1.000 83.711  0 139 ASP   CCC OD2 1 ? 52 
ATOM   3016 N N   . LEU   B 1 141 ? 34.403 18.827  -32.898 1.000 78.472  0 140 LEU   CCC N   1 ? 52 
ATOM   3017 C CA  . LEU   B 1 141 ? 33.142 18.045  -32.993 1.000 81.648  0 140 LEU   CCC CA  1 ? 52 
ATOM   3018 C C   . LEU   B 1 141 ? 32.227 18.405  -31.818 1.000 85.433  0 140 LEU   CCC C   1 ? 52 
ATOM   3019 O O   . LEU   B 1 141 ? 31.010 18.526  -32.055 1.000 90.426  0 140 LEU   CCC O   1 ? 52 
ATOM   3020 C CB  . LEU   B 1 141 ? 33.451 16.544  -33.002 1.000 79.823  0 140 LEU   CCC CB  1 ? 52 
ATOM   3021 C CG  . LEU   B 1 141 ? 34.068 15.993  -34.288 1.000 78.633  0 140 LEU   CCC CG  1 ? 52 
ATOM   3022 C CD1 . LEU   B 1 141 ? 34.496 14.547  -34.093 1.000 76.716  0 140 LEU   CCC CD1 1 ? 52 
ATOM   3023 C CD2 . LEU   B 1 141 ? 33.103 16.115  -35.464 1.000 82.937  0 140 LEU   CCC CD2 1 ? 52 
ATOM   3024 N N   . HIS   B 1 142 ? 32.787 18.561  -30.609 1.000 84.719  0 141 HIS   CCC N   1 ? 52 
ATOM   3025 C CA  . HIS   B 1 142 ? 32.049 18.980  -29.383 1.000 88.625  0 141 HIS   CCC CA  1 ? 52 
ATOM   3026 C C   . HIS   B 1 142 ? 31.476 20.391  -29.580 1.000 93.384  0 141 HIS   CCC C   1 ? 52 
ATOM   3027 O O   . HIS   B 1 142 ? 30.313 20.598  -29.193 1.000 96.472  0 141 HIS   CCC O   1 ? 52 
ATOM   3028 C CB  . HIS   B 1 142 ? 32.932 18.887  -28.125 1.000 86.289  0 141 HIS   CCC CB  1 ? 52 
ATOM   3029 C CG  . HIS   B 1 142 ? 32.846 17.583  -27.403 1.000 86.627  0 141 HIS   CCC CG  1 ? 52 
ATOM   3030 N ND1 . HIS   B 1 142 ? 31.970 17.372  -26.350 1.000 90.186  0 141 HIS   CCC ND1 1 ? 52 
ATOM   3031 C CD2 . HIS   B 1 142 ? 33.527 16.429  -27.565 1.000 85.227  0 141 HIS   CCC CD2 1 ? 52 
ATOM   3032 C CE1 . HIS   B 1 142 ? 32.115 16.141  -25.895 1.000 91.783  0 141 HIS   CCC CE1 1 ? 52 
ATOM   3033 N NE2 . HIS   B 1 142 ? 33.072 15.546  -26.619 1.000 87.923  0 141 HIS   CCC NE2 1 ? 52 
ATOM   3034 N N   . ARG   B 1 143 ? 32.254 21.311  -30.166 1.000 94.456  0 142 ARG   CCC N   1 ? 52 
ATOM   3035 C CA  . ARG   B 1 143 ? 31.825 22.711  -30.440 1.000 99.340  0 142 ARG   CCC CA  1 ? 52 
ATOM   3036 C C   . ARG   B 1 143 ? 30.700 22.703  -31.483 1.000 103.499 0 142 ARG   CCC C   1 ? 52 
ATOM   3037 O O   . ARG   B 1 143 ? 29.669 23.363  -31.243 1.000 106.231 0 142 ARG   CCC O   1 ? 52 
ATOM   3038 C CB  . ARG   B 1 143 ? 32.985 23.585  -30.932 1.000 99.432  0 142 ARG   CCC CB  1 ? 52 
ATOM   3039 C CG  . ARG   B 1 143 ? 32.602 25.055  -31.057 1.000 105.949 0 142 ARG   CCC CG  1 ? 52 
ATOM   3040 C CD  . ARG   B 1 143 ? 33.755 26.013  -31.307 1.000 107.769 0 142 ARG   CCC CD  1 ? 52 
ATOM   3041 N NE  . ARG   B 1 143 ? 34.533 25.637  -32.483 1.000 107.766 0 142 ARG   CCC NE  1 ? 52 
ATOM   3042 C CZ  . ARG   B 1 143 ? 35.799 25.209  -32.485 1.000 106.415 0 142 ARG   CCC CZ  1 ? 52 
ATOM   3043 N NH1 . ARG   B 1 143 ? 36.373 24.886  -33.631 1.000 106.595 0 142 ARG   CCC NH1 1 ? 52 
ATOM   3044 N NH2 . ARG   B 1 143 ? 36.485 25.090  -31.359 1.000 104.484 0 142 ARG   CCC NH2 1 ? 52 
ATOM   3045 N N   . ALA   B 1 144 ? 30.900 21.986  -32.594 1.000 95.864  0 143 ALA   CCC N   1 ? 53 
ATOM   3046 C CA  . ALA   B 1 144 ? 29.936 21.871  -33.714 1.000 98.805  0 143 ALA   CCC CA  1 ? 53 
ATOM   3047 C C   . ALA   B 1 144 ? 28.588 21.347  -33.204 1.000 100.660 0 143 ALA   CCC C   1 ? 53 
ATOM   3048 O O   . ALA   B 1 144 ? 27.550 21.830  -33.694 1.000 102.716 0 143 ALA   CCC O   1 ? 53 
ATOM   3049 C CB  . ALA   B 1 144 ? 30.496 20.979  -34.789 1.000 99.736  0 143 ALA   CCC CB  1 ? 53 
ATOM   3050 N N   . CYS   B 1 145 ? 28.610 20.405  -32.256 1.000 103.180 0 144 CYS   CCC N   1 ? 53 
ATOM   3051 C CA  . CYS   B 1 145 ? 27.410 19.756  -31.661 1.000 104.644 0 144 CYS   CCC CA  1 ? 53 
ATOM   3052 C C   . CYS   B 1 145 ? 26.661 20.759  -30.770 1.000 106.359 0 144 CYS   CCC C   1 ? 53 
ATOM   3053 O O   . CYS   B 1 145 ? 25.430 20.888  -30.931 1.000 104.962 0 144 CYS   CCC O   1 ? 53 
ATOM   3054 C CB  . CYS   B 1 145 ? 27.822 18.528  -30.856 1.000 104.730 0 144 CYS   CCC CB  1 ? 53 
ATOM   3055 S SG  . CYS   B 1 145 ? 26.498 17.317  -30.643 1.000 106.249 0 144 CYS   CCC SG  1 ? 53 
ATOM   3056 N N   . ARG   B 1 146 ? 27.387 21.441  -29.873 1.000 109.150 0 145 ARG   CCC N   1 ? 53 
ATOM   3057 C CA  . ARG   B 1 146 ? 26.858 22.427  -28.884 1.000 110.770 0 145 ARG   CCC CA  1 ? 53 
ATOM   3058 C C   . ARG   B 1 146 ? 26.327 23.666  -29.623 1.000 113.058 0 145 ARG   CCC C   1 ? 53 
ATOM   3059 O O   . ARG   B 1 146 ? 25.249 24.154  -29.233 1.000 114.841 0 145 ARG   CCC O   1 ? 53 
ATOM   3060 C CB  . ARG   B 1 146 ? 27.965 22.761  -27.871 1.000 110.804 0 145 ARG   CCC CB  1 ? 53 
ATOM   3061 C CG  . ARG   B 1 146 ? 27.726 23.926  -26.916 1.000 110.878 0 145 ARG   CCC CG  1 ? 53 
ATOM   3062 C CD  . ARG   B 1 146 ? 29.038 24.615  -26.576 1.000 111.297 0 145 ARG   CCC CD  1 ? 53 
ATOM   3063 N NE  . ARG   B 1 146 ? 30.032 23.642  -26.126 1.000 112.341 0 145 ARG   CCC NE  1 ? 53 
ATOM   3064 C CZ  . ARG   B 1 146 ? 31.338 23.674  -26.397 1.000 112.428 0 145 ARG   CCC CZ  1 ? 53 
ATOM   3065 N NH1 . ARG   B 1 146 ? 31.871 24.654  -27.111 1.000 111.735 0 145 ARG   CCC NH1 1 ? 53 
ATOM   3066 N NH2 . ARG   B 1 146 ? 32.125 22.724  -25.919 1.000 113.068 0 145 ARG   CCC NH2 1 ? 53 
ATOM   3067 N N   . GLU   B 1 147 ? 27.040 24.142  -30.653 1.000 113.735 0 146 GLU   CCC N   1 ? 53 
ATOM   3068 C CA  . GLU   B 1 147 ? 26.632 25.304  -31.495 1.000 115.157 0 146 GLU   CCC CA  1 ? 53 
ATOM   3069 C C   . GLU   B 1 147 ? 25.616 24.860  -32.560 1.000 119.357 0 146 GLU   CCC C   1 ? 53 
ATOM   3070 O O   . GLU   B 1 147 ? 25.422 25.617  -33.531 1.000 120.186 0 146 GLU   CCC O   1 ? 53 
ATOM   3071 C CB  . GLU   B 1 147 ? 27.860 25.949  -32.141 1.000 113.606 0 146 GLU   CCC CB  1 ? 53 
ATOM   3072 C CG  . GLU   B 1 147 ? 28.801 26.591  -31.136 1.000 112.552 0 146 GLU   CCC CG  1 ? 53 
ATOM   3073 C CD  . GLU   B 1 147 ? 29.974 27.339  -31.746 1.000 113.234 0 146 GLU   CCC CD  1 ? 53 
ATOM   3074 O OE1 . GLU   B 1 147 ? 29.988 27.500  -32.981 1.000 113.420 0 146 GLU   CCC OE1 1 ? 53 
ATOM   3075 O OE2 . GLU   B 1 147 ? 30.855 27.788  -30.982 1.000 112.135 0 146 GLU   CCC OE2 1 ? 53 
ATOM   3076 N N   . LYS   B 1 148 ? 25.008 23.676  -32.385 1.000 125.031 0 147 LYS   CCC N   1 ? 53 
ATOM   3077 C CA  . LYS   B 1 148 ? 23.957 23.067  -33.249 1.000 130.514 0 147 LYS   CCC CA  1 ? 53 
ATOM   3078 C C   . LYS   B 1 148 ? 24.150 23.486  -34.714 1.000 133.504 0 147 LYS   CCC C   1 ? 53 
ATOM   3079 O O   . LYS   B 1 148 ? 23.150 23.868  -35.359 1.000 136.479 0 147 LYS   CCC O   1 ? 53 
ATOM   3080 C CB  . LYS   B 1 148 ? 22.563 23.438  -32.727 1.000 133.638 0 147 LYS   CCC CB  1 ? 53 
ATOM   3081 C CG  . LYS   B 1 148 ? 22.336 23.168  -31.243 1.000 134.627 0 147 LYS   CCC CG  1 ? 53 
ATOM   3082 C CD  . LYS   B 1 148 ? 20.874 22.932  -30.863 1.000 137.216 0 147 LYS   CCC CD  1 ? 53 
ATOM   3083 C CE  . LYS   B 1 148 ? 19.943 24.085  -31.188 1.000 140.209 0 147 LYS   CCC CE  1 ? 53 
ATOM   3084 N NZ  . LYS   B 1 148 ? 20.371 25.350  -30.546 1.000 139.953 0 147 LYS   CCC NZ  1 ? 53 
ATOM   3085 N N   . ARG   B 1 149 ? 25.384 23.394  -35.225 1.000 125.377 0 148 ARG   CCC N   1 ? 54 
ATOM   3086 C CA  . ARG   B 1 149 ? 25.712 23.646  -36.653 1.000 124.613 0 148 ARG   CCC CA  1 ? 54 
ATOM   3087 C C   . ARG   B 1 149 ? 25.091 22.535  -37.498 1.000 119.842 0 148 ARG   CCC C   1 ? 54 
ATOM   3088 O O   . ARG   B 1 149 ? 24.769 21.475  -36.937 1.000 115.689 0 148 ARG   CCC O   1 ? 54 
ATOM   3089 C CB  . ARG   B 1 149 ? 27.227 23.707  -36.880 1.000 127.293 0 148 ARG   CCC CB  1 ? 54 
ATOM   3090 C CG  . ARG   B 1 149 ? 27.926 24.847  -36.153 1.000 131.850 0 148 ARG   CCC CG  1 ? 54 
ATOM   3091 C CD  . ARG   B 1 149 ? 28.900 25.591  -37.059 1.000 133.658 0 148 ARG   CCC CD  1 ? 54 
ATOM   3092 N NE  . ARG   B 1 149 ? 29.706 26.546  -36.311 1.000 137.632 0 148 ARG   CCC NE  1 ? 54 
ATOM   3093 C CZ  . ARG   B 1 149 ? 30.863 26.269  -35.713 1.000 139.422 0 148 ARG   CCC CZ  1 ? 54 
ATOM   3094 N NH1 . ARG   B 1 149 ? 31.384 25.052  -35.770 1.000 138.083 0 148 ARG   CCC NH1 1 ? 54 
ATOM   3095 N NH2 . ARG   B 1 149 ? 31.503 27.223  -35.056 1.000 140.368 0 148 ARG   CCC NH2 1 ? 54 
ATOM   3096 N N   . ASP   B 1 150 ? 24.926 22.785  -38.796 1.000 119.172 0 149 ASP   CCC N   1 ? 54 
ATOM   3097 C CA  . ASP   B 1 150 ? 24.324 21.826  -39.756 1.000 115.962 0 149 ASP   CCC CA  1 ? 54 
ATOM   3098 C C   . ASP   B 1 150 ? 25.409 20.850  -40.206 1.000 110.403 0 149 ASP   CCC C   1 ? 54 
ATOM   3099 O O   . ASP   B 1 150 ? 26.417 21.262  -40.778 1.000 107.958 0 149 ASP   CCC O   1 ? 54 
ATOM   3100 C CB  . ASP   B 1 150 ? 23.686 22.557  -40.940 1.000 116.606 0 149 ASP   CCC CB  1 ? 54 
ATOM   3101 C CG  . ASP   B 1 150 ? 22.810 21.673  -41.814 1.000 117.112 0 149 ASP   CCC CG  1 ? 54 
ATOM   3102 O OD1 . ASP   B 1 150 ? 22.456 20.561  -41.370 1.000 113.557 0 149 ASP   CCC OD1 1 ? 54 
ATOM   3103 O OD2 . ASP   B 1 150 ? 22.489 22.106  -42.936 1.000 120.455 0 149 ASP   CCC OD2 1 ? 54 
ATOM   3104 N N   . PRO   B 1 151 ? 25.244 19.532  -39.950 1.000 106.140 0 150 PRO   CCC N   1 ? 54 
ATOM   3105 C CA  . PRO   B 1 151 ? 26.163 18.523  -40.474 1.000 104.122 0 150 PRO   CCC CA  1 ? 54 
ATOM   3106 C C   . PRO   B 1 151 ? 26.442 18.651  -41.979 1.000 103.284 0 150 PRO   CCC C   1 ? 54 
ATOM   3107 O O   . PRO   B 1 151 ? 27.539 18.301  -42.388 1.000 102.785 0 150 PRO   CCC O   1 ? 54 
ATOM   3108 C CB  . PRO   B 1 151 ? 25.427 17.206  -40.193 1.000 105.208 0 150 PRO   CCC CB  1 ? 54 
ATOM   3109 C CG  . PRO   B 1 151 ? 24.620 17.502  -38.950 1.000 106.754 0 150 PRO   CCC CG  1 ? 54 
ATOM   3110 C CD  . PRO   B 1 151 ? 24.186 18.943  -39.111 1.000 106.683 0 150 PRO   CCC CD  1 ? 54 
ATOM   3111 N N   . ALA   B 1 152 ? 25.459 19.140  -42.748 1.000 102.653 0 151 ALA   CCC N   1 ? 54 
ATOM   3112 C CA  . ALA   B 1 152 ? 25.499 19.256  -44.225 1.000 103.437 0 151 ALA   CCC CA  1 ? 54 
ATOM   3113 C C   . ALA   B 1 152 ? 26.198 20.554  -44.656 1.000 103.243 0 151 ALA   CCC C   1 ? 54 
ATOM   3114 O O   . ALA   B 1 152 ? 26.475 20.684  -45.865 1.000 102.316 0 151 ALA   CCC O   1 ? 54 
ATOM   3115 C CB  . ALA   B 1 152 ? 24.098 19.178  -44.779 1.000 104.413 0 151 ALA   CCC CB  1 ? 54 
ATOM   3116 N N   . SER   B 1 153 ? 26.478 21.470  -43.719 1.000 104.171 0 152 SER   CCC N   1 ? 54 
ATOM   3117 C CA  . SER   B 1 153 ? 27.174 22.761  -43.975 1.000 108.120 0 152 SER   CCC CA  1 ? 54 
ATOM   3118 C C   . SER   B 1 153 ? 28.568 22.496  -44.544 1.000 110.399 0 152 SER   CCC C   1 ? 54 
ATOM   3119 O O   . SER   B 1 153 ? 29.075 21.383  -44.434 1.000 108.917 0 152 SER   CCC O   1 ? 54 
ATOM   3120 C CB  . SER   B 1 153 ? 27.239 23.593  -42.716 1.000 108.369 0 152 SER   CCC CB  1 ? 54 
ATOM   3121 O OG  . SER   B 1 153 ? 27.808 24.865  -42.964 1.000 110.494 0 152 SER   CCC OG  1 ? 54 
ATOM   3122 N N   . PRO   B 1 154 ? 29.226 23.479  -45.204 1.000 113.725 0 153 PRO   CCC N   1 ? 54 
ATOM   3123 C CA  . PRO   B 1 154 ? 30.620 23.317  -45.624 1.000 114.607 0 153 PRO   CCC CA  1 ? 54 
ATOM   3124 C C   . PRO   B 1 154 ? 31.578 23.091  -44.441 1.000 113.762 0 153 PRO   CCC C   1 ? 54 
ATOM   3125 O O   . PRO   B 1 154 ? 32.535 22.354  -44.615 1.000 111.554 0 153 PRO   CCC O   1 ? 54 
ATOM   3126 C CB  . PRO   B 1 154 ? 30.952 24.636  -46.342 1.000 116.509 0 153 PRO   CCC CB  1 ? 54 
ATOM   3127 C CG  . PRO   B 1 154 ? 29.605 25.178  -46.760 1.000 117.133 0 153 PRO   CCC CG  1 ? 54 
ATOM   3128 C CD  . PRO   B 1 154 ? 28.667 24.768  -45.642 1.000 115.648 0 153 PRO   CCC CD  1 ? 54 
ATOM   3129 N N   . GLU   B 1 155 ? 31.308 23.721  -43.285 1.000 112.978 0 154 GLU   CCC N   1 ? 54 
ATOM   3130 C CA  . GLU   B 1 155 ? 32.186 23.631  -42.083 1.000 111.585 0 154 GLU   CCC CA  1 ? 54 
ATOM   3131 C C   . GLU   B 1 155 ? 31.954 22.279  -41.401 1.000 107.047 0 154 GLU   CCC C   1 ? 54 
ATOM   3132 O O   . GLU   B 1 155 ? 32.926 21.736  -40.859 1.000 107.099 0 154 GLU   CCC O   1 ? 54 
ATOM   3133 C CB  . GLU   B 1 155 ? 32.001 24.811  -41.126 1.000 115.061 0 154 GLU   CCC CB  1 ? 54 
ATOM   3134 C CG  . GLU   B 1 155 ? 30.590 25.012  -40.605 1.000 118.415 0 154 GLU   CCC CG  1 ? 54 
ATOM   3135 C CD  . GLU   B 1 155 ? 29.766 26.032  -41.374 1.000 121.581 0 154 GLU   CCC CD  1 ? 54 
ATOM   3136 O OE1 . GLU   B 1 155 ? 29.907 26.101  -42.615 1.000 124.271 0 154 GLU   CCC OE1 1 ? 54 
ATOM   3137 O OE2 . GLU   B 1 155 ? 28.969 26.764  -40.728 1.000 120.672 0 154 GLU   CCC OE2 1 ? 54 
ATOM   3138 N N   . GLY   B 1 156 ? 30.720 21.766  -41.450 1.000 101.538 0 155 GLY   CCC N   1 ? 54 
ATOM   3139 C CA  . GLY   B 1 156 ? 30.348 20.406  -41.010 1.000 97.440  0 155 GLY   CCC CA  1 ? 54 
ATOM   3140 C C   . GLY   B 1 156 ? 31.038 19.338  -41.850 1.000 93.352  0 155 GLY   CCC C   1 ? 54 
ATOM   3141 O O   . GLY   B 1 156 ? 31.475 18.323  -41.274 1.000 92.021  0 155 GLY   CCC O   1 ? 54 
ATOM   3142 N N   . GLN   B 1 157 ? 31.141 19.560  -43.164 1.000 90.344  0 156 GLN   CCC N   1 ? 54 
ATOM   3143 C CA  . GLN   B 1 157 ? 31.795 18.632  -44.129 1.000 87.852  0 156 GLN   CCC CA  1 ? 54 
ATOM   3144 C C   . GLN   B 1 157 ? 33.322 18.717  -43.996 1.000 85.421  0 156 GLN   CCC C   1 ? 54 
ATOM   3145 O O   . GLN   B 1 157 ? 33.987 17.721  -44.329 1.000 85.216  0 156 GLN   CCC O   1 ? 54 
ATOM   3146 C CB  . GLN   B 1 157 ? 31.362 18.939  -45.565 1.000 87.702  0 156 GLN   CCC CB  1 ? 54 
ATOM   3147 C CG  . GLN   B 1 157 ? 29.936 18.513  -45.871 1.000 86.774  0 156 GLN   CCC CG  1 ? 54 
ATOM   3148 C CD  . GLN   B 1 157 ? 29.729 17.041  -45.636 1.000 84.706  0 156 GLN   CCC CD  1 ? 54 
ATOM   3149 O OE1 . GLN   B 1 157 ? 30.154 16.212  -46.434 1.000 86.367  0 156 GLN   CCC OE1 1 ? 54 
ATOM   3150 N NE2 . GLN   B 1 157 ? 29.092 16.700  -44.528 1.000 83.288  0 156 GLN   CCC NE2 1 ? 54 
ATOM   3151 N N   . GLN   B 1 158 ? 33.858 19.853  -43.545 1.000 85.093  0 157 GLN   CCC N   1 ? 54 
ATOM   3152 C CA  . GLN   B 1 158 ? 35.311 20.019  -43.254 1.000 86.703  0 157 GLN   CCC CA  1 ? 54 
ATOM   3153 C C   . GLN   B 1 158 ? 35.680 19.127  -42.059 1.000 81.630  0 157 GLN   CCC C   1 ? 54 
ATOM   3154 O O   . GLN   B 1 158 ? 36.765 18.534  -42.088 1.000 79.370  0 157 GLN   CCC O   1 ? 54 
ATOM   3155 C CB  . GLN   B 1 158 ? 35.674 21.486  -43.002 1.000 91.189  0 157 GLN   CCC CB  1 ? 54 
ATOM   3156 C CG  . GLN   B 1 158 ? 36.248 22.178  -44.236 1.000 95.050  0 157 GLN   CCC CG  1 ? 54 
ATOM   3157 C CD  . GLN   B 1 158 ? 36.610 23.628  -44.005 1.000 98.782  0 157 GLN   CCC CD  1 ? 54 
ATOM   3158 O OE1 . GLN   B 1 158 ? 37.715 24.072  -44.321 1.000 99.566  0 157 GLN   CCC OE1 1 ? 54 
ATOM   3159 N NE2 . GLN   B 1 158 ? 35.672 24.393  -43.464 1.000 99.304  0 157 GLN   CCC NE2 1 ? 54 
ATOM   3160 N N   . LEU   B 1 159 ? 34.804 19.040  -41.052 1.000 79.022  0 158 LEU   CCC N   1 ? 54 
ATOM   3161 C CA  . LEU   B 1 159 ? 34.999 18.179  -39.853 1.000 77.132  0 158 LEU   CCC CA  1 ? 54 
ATOM   3162 C C   . LEU   B 1 159 ? 34.896 16.704  -40.257 1.000 73.833  0 158 LEU   CCC C   1 ? 54 
ATOM   3163 O O   . LEU   B 1 159 ? 35.750 15.911  -39.808 1.000 72.658  0 158 LEU   CCC O   1 ? 54 
ATOM   3164 C CB  . LEU   B 1 159 ? 33.964 18.530  -38.778 1.000 77.960  0 158 LEU   CCC CB  1 ? 54 
ATOM   3165 C CG  . LEU   B 1 159 ? 34.147 19.879  -38.088 1.000 78.993  0 158 LEU   CCC CG  1 ? 54 
ATOM   3166 C CD1 . LEU   B 1 159 ? 33.185 20.012  -36.918 1.000 80.156  0 158 LEU   CCC CD1 1 ? 54 
ATOM   3167 C CD2 . LEU   B 1 159 ? 35.583 20.068  -37.627 1.000 80.180  0 158 LEU   CCC CD2 1 ? 54 
ATOM   3168 N N   . ALA   B 1 160 ? 33.907 16.355  -41.084 1.000 72.193  0 159 ALA   CCC N   1 ? 54 
ATOM   3169 C CA  . ALA   B 1 160 ? 33.703 14.984  -41.605 1.000 71.401  0 159 ALA   CCC CA  1 ? 54 
ATOM   3170 C C   . ALA   B 1 160 ? 34.957 14.518  -42.357 1.000 70.026  0 159 ALA   CCC C   1 ? 54 
ATOM   3171 O O   . ALA   B 1 160 ? 35.374 13.363  -42.137 1.000 69.456  0 159 ALA   CCC O   1 ? 54 
ATOM   3172 C CB  . ALA   B 1 160 ? 32.472 14.926  -42.478 1.000 73.349  0 159 ALA   CCC CB  1 ? 54 
ATOM   3173 N N   A GLN   B 1 161 ? 35.532 15.384  -43.206 0.500 69.327  0 160 GLN   CCC N   1 ? 54 
ATOM   3174 N N   B GLN   B 1 161 ? 35.532 15.385  -43.207 0.500 69.684  0 160 GLN   CCC N   1 ? 54 
ATOM   3175 C CA  A GLN   B 1 161 ? 36.755 15.086  -44.005 0.500 68.339  0 160 GLN   CCC CA  1 ? 54 
ATOM   3176 C CA  B GLN   B 1 161 ? 36.756 15.102  -44.011 0.500 68.906  0 160 GLN   CCC CA  1 ? 54 
ATOM   3177 C C   A GLN   B 1 161 ? 37.965 14.946  -43.075 0.500 66.229  0 160 GLN   CCC C   1 ? 54 
ATOM   3178 C C   B GLN   B 1 161 ? 37.962 14.945  -43.077 0.500 66.545  0 160 GLN   CCC C   1 ? 54 
ATOM   3179 O O   A GLN   B 1 161 ? 38.813 14.084  -43.349 0.500 64.085  0 160 GLN   CCC O   1 ? 54 
ATOM   3180 O O   B GLN   B 1 161 ? 38.807 14.078  -43.355 0.500 64.374  0 160 GLN   CCC O   1 ? 54 
ATOM   3181 C CB  A GLN   B 1 161 ? 37.023 16.181  -45.041 0.500 70.022  0 160 GLN   CCC CB  1 ? 54 
ATOM   3182 C CB  B GLN   B 1 161 ? 37.064 16.230  -45.003 0.500 71.024  0 160 GLN   CCC CB  1 ? 54 
ATOM   3183 C CG  A GLN   B 1 161 ? 36.037 16.199  -46.199 0.500 71.571  0 160 GLN   CCC CG  1 ? 54 
ATOM   3184 C CG  B GLN   B 1 161 ? 36.112 16.337  -46.183 0.500 73.001  0 160 GLN   CCC CG  1 ? 54 
ATOM   3185 C CD  A GLN   B 1 161 ? 36.308 15.139  -47.243 0.500 71.447  0 160 GLN   CCC CD  1 ? 54 
ATOM   3186 C CD  B GLN   B 1 161 ? 36.213 17.680  -46.871 0.500 73.879  0 160 GLN   CCC CD  1 ? 54 
ATOM   3187 O OE1 A GLN   B 1 161 ? 37.193 14.301  -47.098 0.500 69.808  0 160 GLN   CCC OE1 1 ? 54 
ATOM   3188 O OE1 B GLN   B 1 161 ? 37.107 18.480  -46.601 0.500 74.201  0 160 GLN   CCC OE1 1 ? 54 
ATOM   3189 N NE2 A GLN   B 1 161 ? 35.539 15.171  -48.321 0.500 71.842  0 160 GLN   CCC NE2 1 ? 54 
ATOM   3190 N NE2 B GLN   B 1 161 ? 35.287 17.940  -47.778 0.500 74.645  0 160 GLN   CCC NE2 1 ? 54 
ATOM   3191 N N   . ARG   B 1 162 ? 38.060 15.789  -42.043 1.000 65.725  0 161 ARG   CCC N   1 ? 54 
ATOM   3192 C CA  . ARG   B 1 162 ? 39.158 15.731  -41.043 1.000 65.197  0 161 ARG   CCC CA  1 ? 54 
ATOM   3193 C C   . ARG   B 1 162 ? 39.028 14.419  -40.268 1.000 61.675  0 161 ARG   CCC C   1 ? 54 
ATOM   3194 O O   . ARG   B 1 162 ? 40.053 13.744  -40.070 1.000 57.948  0 161 ARG   CCC O   1 ? 54 
ATOM   3195 C CB  . ARG   B 1 162 ? 39.131 16.949  -40.121 1.000 67.007  0 161 ARG   CCC CB  1 ? 54 
ATOM   3196 C CG  . ARG   B 1 162 ? 39.775 18.192  -40.725 1.000 69.373  0 161 ARG   CCC CG  1 ? 54 
ATOM   3197 C CD  . ARG   B 1 162 ? 39.639 19.394  -39.803 1.000 70.667  0 161 ARG   CCC CD  1 ? 54 
ATOM   3198 N NE  . ARG   B 1 162 ? 40.281 19.143  -38.517 1.000 70.380  0 161 ARG   CCC NE  1 ? 54 
ATOM   3199 C CZ  . ARG   B 1 162 ? 39.946 19.712  -37.360 1.000 71.343  0 161 ARG   CCC CZ  1 ? 54 
ATOM   3200 N NH1 . ARG   B 1 162 ? 38.954 20.587  -37.310 1.000 73.122  0 161 ARG   CCC NH1 1 ? 54 
ATOM   3201 N NH2 . ARG   B 1 162 ? 40.605 19.397  -36.255 1.000 70.268  0 161 ARG   CCC NH2 1 ? 54 
ATOM   3202 N N   . TRP   B 1 163 ? 37.805 14.058  -39.883 1.000 60.386  0 162 TRP   CCC N   1 ? 54 
ATOM   3203 C CA  . TRP   B 1 163 ? 37.531 12.763  -39.214 1.000 61.071  0 162 TRP   CCC CA  1 ? 54 
ATOM   3204 C C   . TRP   B 1 163 ? 37.996 11.625  -40.122 1.000 59.178  0 162 TRP   CCC C   1 ? 54 
ATOM   3205 O O   . TRP   B 1 163 ? 38.770 10.758  -39.642 1.000 58.235  0 162 TRP   CCC O   1 ? 54 
ATOM   3206 C CB  . TRP   B 1 163 ? 36.062 12.598  -38.822 1.000 63.125  0 162 TRP   CCC CB  1 ? 54 
ATOM   3207 C CG  . TRP   B 1 163 ? 35.802 11.183  -38.410 1.000 64.704  0 162 TRP   CCC CG  1 ? 54 
ATOM   3208 C CD1 . TRP   B 1 163 ? 35.981 10.625  -37.174 1.000 65.073  0 162 TRP   CCC CD1 1 ? 54 
ATOM   3209 C CD2 . TRP   B 1 163 ? 35.407 10.116  -39.287 1.000 65.344  0 162 TRP   CCC CD2 1 ? 54 
ATOM   3210 N NE1 . TRP   B 1 163 ? 35.699 9.288   -37.222 1.000 66.265  0 162 TRP   CCC NE1 1 ? 54 
ATOM   3211 C CE2 . TRP   B 1 163 ? 35.340 8.948   -38.503 1.000 66.553  0 162 TRP   CCC CE2 1 ? 54 
ATOM   3212 C CE3 . TRP   B 1 163 ? 35.095 10.040  -40.651 1.000 65.783  0 162 TRP   CCC CE3 1 ? 54 
ATOM   3213 C CZ2 . TRP   B 1 163 ? 34.969 7.720   -39.048 1.000 67.155  0 162 TRP   CCC CZ2 1 ? 54 
ATOM   3214 C CZ3 . TRP   B 1 163 ? 34.734 8.824   -41.188 1.000 67.512  0 162 TRP   CCC CZ3 1 ? 54 
ATOM   3215 C CH2 . TRP   B 1 163 ? 34.667 7.681   -40.391 1.000 67.795  0 162 TRP   CCC CH2 1 ? 54 
ATOM   3216 N N   . LEU   B 1 164 ? 37.576 11.645  -41.387 1.000 58.647  0 163 LEU   CCC N   1 ? 54 
ATOM   3217 C CA  . LEU   B 1 164 ? 37.867 10.558  -42.356 1.000 59.530  0 163 LEU   CCC CA  1 ? 54 
ATOM   3218 C C   . LEU   B 1 164 ? 39.380 10.366  -42.467 1.000 57.222  0 163 LEU   CCC C   1 ? 54 
ATOM   3219 O O   . LEU   B 1 164 ? 39.825 9.218   -42.446 1.000 57.124  0 163 LEU   CCC O   1 ? 54 
ATOM   3220 C CB  . LEU   B 1 164 ? 37.244 10.891  -43.716 1.000 63.150  0 163 LEU   CCC CB  1 ? 54 
ATOM   3221 C CG  . LEU   B 1 164 ? 37.449 9.835   -44.797 1.000 65.564  0 163 LEU   CCC CG  1 ? 54 
ATOM   3222 C CD1 . LEU   B 1 164 ? 36.742 8.542   -44.419 1.000 67.742  0 163 LEU   CCC CD1 1 ? 54 
ATOM   3223 C CD2 . LEU   B 1 164 ? 36.975 10.332  -46.152 1.000 66.160  0 163 LEU   CCC CD2 1 ? 54 
ATOM   3224 N N   . ALA   B 1 165 ? 40.139 11.451  -42.556 1.000 56.285  0 164 ALA   CCC N   1 ? 54 
ATOM   3225 C CA  . ALA   B 1 165 ? 41.615 11.421  -42.690 1.000 55.505  0 164 ALA   CCC CA  1 ? 54 
ATOM   3226 C C   . ALA   B 1 165 ? 42.233 10.761  -41.456 1.000 53.897  0 164 ALA   CCC C   1 ? 54 
ATOM   3227 O O   . ALA   B 1 165 ? 43.107 9.910   -41.636 1.000 53.517  0 164 ALA   CCC O   1 ? 54 
ATOM   3228 C CB  . ALA   B 1 165 ? 42.159 12.818  -42.918 1.000 55.786  0 164 ALA   CCC CB  1 ? 54 
ATOM   3229 N N   . LEU   B 1 166 ? 41.823 11.137  -40.244 1.000 54.195  0 165 LEU   CCC N   1 ? 54 
ATOM   3230 C CA  . LEU   B 1 166 ? 42.424 10.567  -39.004 1.000 54.743  0 165 LEU   CCC CA  1 ? 54 
ATOM   3231 C C   . LEU   B 1 166 ? 42.046 9.087   -38.895 1.000 53.460  0 165 LEU   CCC C   1 ? 54 
ATOM   3232 O O   . LEU   B 1 166 ? 42.947 8.263   -38.642 1.000 51.783  0 165 LEU   CCC O   1 ? 54 
ATOM   3233 C CB  . LEU   B 1 166 ? 41.972 11.362  -37.773 1.000 56.311  0 165 LEU   CCC CB  1 ? 54 
ATOM   3234 C CG  . LEU   B 1 166 ? 42.619 12.733  -37.608 1.000 57.273  0 165 LEU   CCC CG  1 ? 54 
ATOM   3235 C CD1 . LEU   B 1 166 ? 42.265 13.333  -36.263 1.000 59.279  0 165 LEU   CCC CD1 1 ? 54 
ATOM   3236 C CD2 . LEU   B 1 166 ? 44.128 12.642  -37.731 1.000 57.307  0 165 LEU   CCC CD2 1 ? 54 
ATOM   3237 N N   . PHE   B 1 167 ? 40.772 8.772   -39.123 1.000 49.183  0 166 PHE   CCC N   1 ? 55 
ATOM   3238 C CA  . PHE   B 1 167 ? 40.233 7.386   -39.160 1.000 48.941  0 166 PHE   CCC CA  1 ? 55 
ATOM   3239 C C   . PHE   B 1 167 ? 41.040 6.534   -40.154 1.000 48.300  0 166 PHE   CCC C   1 ? 55 
ATOM   3240 O O   . PHE   B 1 167 ? 41.553 5.454   -39.787 1.000 47.121  0 166 PHE   CCC O   1 ? 55 
ATOM   3241 C CB  . PHE   B 1 167 ? 38.744 7.395   -39.527 1.000 50.678  0 166 PHE   CCC CB  1 ? 55 
ATOM   3242 C CG  . PHE   B 1 167 ? 38.202 6.022   -39.811 1.000 51.038  0 166 PHE   CCC CG  1 ? 55 
ATOM   3243 C CD1 . PHE   B 1 167 ? 37.935 5.140   -38.779 1.000 50.546  0 166 PHE   CCC CD1 1 ? 55 
ATOM   3244 C CD2 . PHE   B 1 167 ? 38.023 5.587   -41.111 1.000 52.616  0 166 PHE   CCC CD2 1 ? 55 
ATOM   3245 C CE1 . PHE   B 1 167 ? 37.486 3.857   -39.046 1.000 50.338  0 166 PHE   CCC CE1 1 ? 55 
ATOM   3246 C CE2 . PHE   B 1 167 ? 37.578 4.304   -41.373 1.000 52.630  0 166 PHE   CCC CE2 1 ? 55 
ATOM   3247 C CZ  . PHE   B 1 167 ? 37.310 3.441   -40.346 1.000 51.523  0 166 PHE   CCC CZ  1 ? 55 
ATOM   3248 N N   . GLN   B 1 168 ? 41.145 6.991   -41.402 1.000 50.863  0 167 GLN   CCC N   1 ? 55 
ATOM   3249 C CA  . GLN   B 1 168 ? 41.855 6.233   -42.469 1.000 52.730  0 167 GLN   CCC CA  1 ? 55 
ATOM   3250 C C   . GLN   B 1 168 ? 43.338 6.078   -42.103 1.000 51.339  0 167 GLN   CCC C   1 ? 55 
ATOM   3251 O O   . GLN   B 1 168 ? 43.945 5.124   -42.582 1.000 52.376  0 167 GLN   CCC O   1 ? 55 
ATOM   3252 C CB  . GLN   B 1 168 ? 41.683 6.914   -43.821 1.000 56.423  0 167 GLN   CCC CB  1 ? 55 
ATOM   3253 C CG  . GLN   B 1 168 ? 40.293 6.736   -44.400 1.000 60.045  0 167 GLN   CCC CG  1 ? 55 
ATOM   3254 C CD  . GLN   B 1 168 ? 40.160 7.427   -45.737 1.000 65.086  0 167 GLN   CCC CD  1 ? 55 
ATOM   3255 O OE1 . GLN   B 1 168 ? 40.891 8.362   -46.056 1.000 67.122  0 167 GLN   CCC OE1 1 ? 55 
ATOM   3256 N NE2 . GLN   B 1 168 ? 39.227 6.950   -46.543 1.000 66.873  0 167 GLN   CCC NE2 1 ? 55 
ATOM   3257 N N   . SER   B 1 169 ? 43.908 6.960   -41.278 1.000 52.290  0 168 SER   CCC N   1 ? 55 
ATOM   3258 C CA  . SER   B 1 169 ? 45.336 6.865   -40.876 1.000 53.750  0 168 SER   CCC CA  1 ? 55 
ATOM   3259 C C   . SER   B 1 169 ? 45.575 5.566   -40.096 1.000 53.258  0 168 SER   CCC C   1 ? 55 
ATOM   3260 O O   . SER   B 1 169 ? 46.701 5.071   -40.182 1.000 56.319  0 168 SER   CCC O   1 ? 55 
ATOM   3261 C CB  . SER   B 1 169 ? 45.832 8.088   -40.132 1.000 53.923  0 168 SER   CCC CB  1 ? 55 
ATOM   3262 O OG  . SER   B 1 169 ? 45.459 8.064   -38.767 1.000 54.572  0 168 SER   CCC OG  1 ? 55 
ATOM   3263 N N   . TYR   B 1 170 ? 44.568 4.998   -39.412 1.000 49.668  0 169 TYR   CCC N   1 ? 55 
ATOM   3264 C CA  . TYR   B 1 170 ? 44.736 3.701   -38.703 1.000 49.168  0 169 TYR   CCC CA  1 ? 55 
ATOM   3265 C C   . TYR   B 1 170 ? 43.904 2.577   -39.344 1.000 49.417  0 169 TYR   CCC C   1 ? 55 
ATOM   3266 O O   . TYR   B 1 170 ? 44.340 1.403   -39.219 1.000 48.416  0 169 TYR   CCC O   1 ? 55 
ATOM   3267 C CB  . TYR   B 1 170 ? 44.463 3.856   -37.199 1.000 51.017  0 169 TYR   CCC CB  1 ? 55 
ATOM   3268 C CG  . TYR   B 1 170 ? 43.036 4.055   -36.762 1.000 49.157  0 169 TYR   CCC CG  1 ? 55 
ATOM   3269 C CD1 . TYR   B 1 170 ? 42.118 3.019   -36.795 1.000 49.348  0 169 TYR   CCC CD1 1 ? 55 
ATOM   3270 C CD2 . TYR   B 1 170 ? 42.619 5.273   -36.246 1.000 50.683  0 169 TYR   CCC CD2 1 ? 55 
ATOM   3271 C CE1 . TYR   B 1 170 ? 40.807 3.209   -36.373 1.000 49.850  0 169 TYR   CCC CE1 1 ? 55 
ATOM   3272 C CE2 . TYR   B 1 170 ? 41.317 5.478   -35.817 1.000 51.325  0 169 TYR   CCC CE2 1 ? 55 
ATOM   3273 C CZ  . TYR   B 1 170 ? 40.403 4.441   -35.888 1.000 51.702  0 169 TYR   CCC CZ  1 ? 55 
ATOM   3274 O OH  . TYR   B 1 170 ? 39.119 4.622   -35.465 1.000 52.727  0 169 TYR   CCC OH  1 ? 55 
ATOM   3275 N N   . ALA   B 1 171 ? 42.769 2.889   -39.982 1.000 49.359  0 170 ALA   CCC N   1 ? 55 
ATOM   3276 C CA  . ALA   B 1 171 ? 41.884 1.891   -40.634 1.000 48.086  0 170 ALA   CCC CA  1 ? 55 
ATOM   3277 C C   . ALA   B 1 171 ? 42.378 1.525   -42.038 1.000 50.281  0 170 ALA   CCC C   1 ? 55 
ATOM   3278 O O   . ALA   B 1 171 ? 42.145 0.376   -42.451 1.000 51.127  0 170 ALA   CCC O   1 ? 55 
ATOM   3279 C CB  . ALA   B 1 171 ? 40.477 2.425   -40.693 1.000 49.976  0 170 ALA   CCC CB  1 ? 55 
ATOM   3280 N N   . GLY   B 1 172 ? 43.014 2.455   -42.752 1.000 50.120  0 171 GLY   CCC N   1 ? 55 
ATOM   3281 C CA  . GLY   B 1 172 ? 43.314 2.278   -44.184 1.000 50.931  0 171 GLY   CCC CA  1 ? 55 
ATOM   3282 C C   . GLY   B 1 172 ? 42.183 2.820   -45.037 1.000 52.359  0 171 GLY   CCC C   1 ? 55 
ATOM   3283 O O   . GLY   B 1 172 ? 41.236 3.393   -44.466 1.000 51.937  0 171 GLY   CCC O   1 ? 55 
ATOM   3284 N N   . LYS   B 1 173 ? 42.320 2.727   -46.359 1.000 56.523  0 172 LYS   CCC N   1 ? 55 
ATOM   3285 C CA  . LYS   B 1 173 ? 41.469 3.460   -47.333 1.000 61.298  0 172 LYS   CCC CA  1 ? 55 
ATOM   3286 C C   . LYS   B 1 173 ? 40.604 2.479   -48.130 1.000 60.641  0 172 LYS   CCC C   1 ? 55 
ATOM   3287 O O   . LYS   B 1 173 ? 39.972 2.935   -49.089 1.000 63.878  0 172 LYS   CCC O   1 ? 55 
ATOM   3288 C CB  . LYS   B 1 173 ? 42.342 4.348   -48.236 1.000 65.638  0 172 LYS   CCC CB  1 ? 55 
ATOM   3289 C CG  . LYS   B 1 173 ? 43.087 5.447   -47.473 1.000 66.438  0 172 LYS   CCC CG  1 ? 55 
ATOM   3290 C CD  . LYS   B 1 173 ? 43.557 6.639   -48.291 1.000 69.991  0 172 LYS   CCC CD  1 ? 55 
ATOM   3291 C CE  . LYS   B 1 173 ? 43.696 7.882   -47.426 1.000 70.049  0 172 LYS   CCC CE  1 ? 55 
ATOM   3292 N NZ  . LYS   B 1 173 ? 44.621 8.893   -47.998 1.000 72.750  0 172 LYS   CCC NZ  1 ? 55 
ATOM   3293 N N   . ASP   B 1 174 ? 40.517 1.204   -47.742 1.000 59.502  0 173 ASP   CCC N   1 ? 55 
ATOM   3294 C CA  . ASP   B 1 174 ? 39.603 0.216   -48.405 1.000 61.645  0 173 ASP   CCC CA  1 ? 55 
ATOM   3295 C C   . ASP   B 1 174 ? 38.182 0.414   -47.851 1.000 58.738  0 173 ASP   CCC C   1 ? 55 
ATOM   3296 O O   . ASP   B 1 174 ? 38.022 0.354   -46.627 1.000 55.092  0 173 ASP   CCC O   1 ? 55 
ATOM   3297 C CB  . ASP   B 1 174 ? 40.104 -1.225  -48.242 1.000 62.350  0 173 ASP   CCC CB  1 ? 55 
ATOM   3298 C CG  . ASP   B 1 174 ? 39.232 -2.269  -48.928 1.000 65.987  0 173 ASP   CCC CG  1 ? 55 
ATOM   3299 O OD1 . ASP   B 1 174 ? 38.192 -2.676  -48.333 1.000 66.606  0 173 ASP   CCC OD1 1 ? 55 
ATOM   3300 O OD2 . ASP   B 1 174 ? 39.582 -2.672  -50.050 1.000 72.225  0 173 ASP   CCC OD2 1 ? 55 
ATOM   3301 N N   . ALA   B 1 175 ? 37.201 0.642   -48.724 1.000 62.426  0 174 ALA   CCC N   1 ? 55 
ATOM   3302 C CA  . ALA   B 1 175 ? 35.797 0.964   -48.370 1.000 64.538  0 174 ALA   CCC CA  1 ? 55 
ATOM   3303 C C   . ALA   B 1 175 ? 35.184 -0.157  -47.515 1.000 62.897  0 174 ALA   CCC C   1 ? 55 
ATOM   3304 O O   . ALA   B 1 175 ? 34.462 0.166   -46.557 1.000 61.997  0 174 ALA   CCC O   1 ? 55 
ATOM   3305 C CB  . ALA   B 1 175 ? 34.987 1.215   -49.624 1.000 66.416  0 174 ALA   CCC CB  1 ? 55 
ATOM   3306 N N   . GLN   B 1 176 ? 35.485 -1.418  -47.835 1.000 62.897  0 175 GLN   CCC N   1 ? 55 
ATOM   3307 C CA  . GLN   B 1 176 ? 34.922 -2.589  -47.112 1.000 63.577  0 175 GLN   CCC CA  1 ? 55 
ATOM   3308 C C   . GLN   B 1 176 ? 35.510 -2.646  -45.696 1.000 60.637  0 175 GLN   CCC C   1 ? 55 
ATOM   3309 O O   . GLN   B 1 176 ? 34.729 -2.855  -44.744 1.000 58.687  0 175 GLN   CCC O   1 ? 55 
ATOM   3310 C CB  . GLN   B 1 176 ? 35.143 -3.864  -47.923 1.000 68.036  0 175 GLN   CCC CB  1 ? 55 
ATOM   3311 C CG  . GLN   B 1 176 ? 34.170 -3.981  -49.090 1.000 73.469  0 175 GLN   CCC CG  1 ? 55 
ATOM   3312 C CD  . GLN   B 1 176 ? 34.212 -5.334  -49.753 1.000 79.718  0 175 GLN   CCC CD  1 ? 55 
ATOM   3313 O OE1 . GLN   B 1 176 ? 35.201 -6.062  -49.684 1.000 86.415  0 175 GLN   CCC OE1 1 ? 55 
ATOM   3314 N NE2 . GLN   B 1 176 ? 33.130 -5.677  -50.425 1.000 83.504  0 175 GLN   CCC NE2 1 ? 55 
ATOM   3315 N N   . THR   B 1 177 ? 36.819 -2.417  -45.542 1.000 58.323  0 176 THR   CCC N   1 ? 55 
ATOM   3316 C CA  . THR   B 1 177 ? 37.479 -2.381  -44.210 1.000 54.872  0 176 THR   CCC CA  1 ? 55 
ATOM   3317 C C   . THR   B 1 177 ? 36.822 -1.275  -43.370 1.000 53.807  0 176 THR   CCC C   1 ? 55 
ATOM   3318 O O   . THR   B 1 177 ? 36.540 -1.510  -42.182 1.000 54.521  0 176 THR   CCC O   1 ? 55 
ATOM   3319 C CB  . THR   B 1 177 ? 38.996 -2.201  -44.330 1.000 55.144  0 176 THR   CCC CB  1 ? 55 
ATOM   3320 O OG1 . THR   B 1 177 ? 39.516 -3.262  -45.133 1.000 56.240  0 176 THR   CCC OG1 1 ? 55 
ATOM   3321 C CG2 . THR   B 1 177 ? 39.687 -2.166  -42.981 1.000 53.239  0 176 THR   CCC CG2 1 ? 55 
ATOM   3322 N N   . GLN   B 1 178 ? 36.543 -0.114  -43.951 1.000 54.327  0 177 GLN   CCC N   1 ? 55 
ATOM   3323 C CA  . GLN   B 1 178 ? 35.926 1.018   -43.207 1.000 55.874  0 177 GLN   CCC CA  1 ? 55 
ATOM   3324 C C   . GLN   B 1 178 ? 34.560 0.568   -42.678 1.000 54.463  0 177 GLN   CCC C   1 ? 55 
ATOM   3325 O O   . GLN   B 1 178 ? 34.216 0.935   -41.555 1.000 53.307  0 177 GLN   CCC O   1 ? 55 
ATOM   3326 C CB  . GLN   B 1 178 ? 35.834 2.261   -44.090 1.000 59.019  0 177 GLN   CCC CB  1 ? 55 
ATOM   3327 C CG  . GLN   B 1 178 ? 37.214 2.694   -44.591 1.000 61.566  0 177 GLN   CCC CG  1 ? 55 
ATOM   3328 C CD  . GLN   B 1 178 ? 37.233 3.950   -45.434 1.000 64.937  0 177 GLN   CCC CD  1 ? 55 
ATOM   3329 O OE1 . GLN   B 1 178 ? 38.164 4.164   -46.189 1.000 64.698  0 177 GLN   CCC OE1 1 ? 55 
ATOM   3330 N NE2 . GLN   B 1 178 ? 36.233 4.810   -45.283 1.000 68.334  0 177 GLN   CCC NE2 1 ? 55 
ATOM   3331 N N   . GLN   B 1 179 ? 33.799 -0.196  -43.455 1.000 56.055  0 178 GLN   CCC N   1 ? 55 
ATOM   3332 C CA  . GLN   B 1 179 ? 32.465 -0.690  -43.019 1.000 55.029  0 178 GLN   CCC CA  1 ? 55 
ATOM   3333 C C   . GLN   B 1 179 ? 32.639 -1.654  -41.846 1.000 52.374  0 178 GLN   CCC C   1 ? 55 
ATOM   3334 O O   . GLN   B 1 179 ? 31.727 -1.691  -41.004 1.000 52.067  0 178 GLN   CCC O   1 ? 55 
ATOM   3335 C CB  . GLN   B 1 179 ? 31.719 -1.323  -44.186 1.000 58.513  0 178 GLN   CCC CB  1 ? 55 
ATOM   3336 C CG  . GLN   B 1 179 ? 31.325 -0.309  -45.248 1.000 64.033  0 178 GLN   CCC CG  1 ? 55 
ATOM   3337 C CD  . GLN   B 1 179 ? 30.204 0.602   -44.807 1.000 68.921  0 178 GLN   CCC CD  1 ? 55 
ATOM   3338 O OE1 . GLN   B 1 179 ? 30.102 1.011   -43.656 1.000 66.536  0 178 GLN   CCC OE1 1 ? 55 
ATOM   3339 N NE2 . GLN   B 1 179 ? 29.323 0.923   -45.741 1.000 77.474  0 178 GLN   CCC NE2 1 ? 55 
ATOM   3340 N N   . LYS   B 1 180 ? 33.755 -2.388  -41.768 1.000 48.702  0 179 LYS   CCC N   1 ? 55 
ATOM   3341 C CA  . LYS   B 1 180 ? 34.019 -3.307  -40.633 1.000 47.734  0 179 LYS   CCC CA  1 ? 55 
ATOM   3342 C C   . LYS   B 1 180 ? 34.216 -2.501  -39.347 1.000 46.613  0 179 LYS   CCC C   1 ? 55 
ATOM   3343 O O   . LYS   B 1 180 ? 33.725 -2.934  -38.280 1.000 47.350  0 179 LYS   CCC O   1 ? 55 
ATOM   3344 C CB  . LYS   B 1 180 ? 35.238 -4.202  -40.874 1.000 48.787  0 179 LYS   CCC CB  1 ? 55 
ATOM   3345 C CG  . LYS   B 1 180 ? 35.133 -5.141  -42.059 1.000 50.242  0 179 LYS   CCC CG  1 ? 55 
ATOM   3346 C CD  . LYS   B 1 180 ? 36.200 -6.184  -42.035 1.000 51.288  0 179 LYS   CCC CD  1 ? 55 
ATOM   3347 C CE  . LYS   B 1 180 ? 36.268 -6.954  -43.332 1.000 53.735  0 179 LYS   CCC CE  1 ? 55 
ATOM   3348 N NZ  . LYS   B 1 180 ? 37.225 -8.073  -43.246 1.000 56.223  0 179 LYS   CCC NZ  1 ? 55 
ATOM   3349 N N   . PHE   B 1 181 ? 34.927 -1.380  -39.425 1.000 46.847  0 180 PHE   CCC N   1 ? 55 
ATOM   3350 C CA  . PHE   B 1 181 ? 35.151 -0.488  -38.268 1.000 45.147  0 180 PHE   CCC CA  1 ? 55 
ATOM   3351 C C   . PHE   B 1 181 ? 33.810 0.115   -37.851 1.000 47.126  0 180 PHE   CCC C   1 ? 55 
ATOM   3352 O O   . PHE   B 1 181 ? 33.528 0.164   -36.653 1.000 48.449  0 180 PHE   CCC O   1 ? 55 
ATOM   3353 C CB  . PHE   B 1 181 ? 36.176 0.591   -38.608 1.000 46.512  0 180 PHE   CCC CB  1 ? 55 
ATOM   3354 C CG  . PHE   B 1 181 ? 37.604 0.147   -38.477 1.000 44.204  0 180 PHE   CCC CG  1 ? 55 
ATOM   3355 C CD1 . PHE   B 1 181 ? 38.233 0.212   -37.253 1.000 43.521  0 180 PHE   CCC CD1 1 ? 55 
ATOM   3356 C CD2 . PHE   B 1 181 ? 38.293 -0.368  -39.561 1.000 42.293  0 180 PHE   CCC CD2 1 ? 55 
ATOM   3357 C CE1 . PHE   B 1 181 ? 39.542 -0.215  -37.113 1.000 44.017  0 180 PHE   CCC CE1 1 ? 55 
ATOM   3358 C CE2 . PHE   B 1 181 ? 39.588 -0.822  -39.422 1.000 42.175  0 180 PHE   CCC CE2 1 ? 55 
ATOM   3359 C CZ  . PHE   B 1 181 ? 40.209 -0.733  -38.202 1.000 43.041  0 180 PHE   CCC CZ  1 ? 55 
ATOM   3360 N N   . ARG   B 1 182 ? 33.003 0.548   -38.812 1.000 48.391  0 181 ARG   CCC N   1 ? 55 
ATOM   3361 C CA  . ARG   B 1 182 ? 31.642 1.079   -38.543 1.000 50.743  0 181 ARG   CCC CA  1 ? 55 
ATOM   3362 C C   . ARG   B 1 182 ? 30.833 0.024   -37.784 1.000 50.363  0 181 ARG   CCC C   1 ? 55 
ATOM   3363 O O   . ARG   B 1 182 ? 30.283 0.359   -36.723 1.000 52.749  0 181 ARG   CCC O   1 ? 55 
ATOM   3364 C CB  . ARG   B 1 182 ? 30.924 1.454   -39.840 1.000 52.004  0 181 ARG   CCC CB  1 ? 55 
ATOM   3365 C CG  . ARG   B 1 182 ? 29.611 2.185   -39.592 1.000 53.058  0 181 ARG   CCC CG  1 ? 55 
ATOM   3366 C CD  . ARG   B 1 182 ? 28.637 2.111   -40.749 1.000 54.608  0 181 ARG   CCC CD  1 ? 55 
ATOM   3367 N NE  . ARG   B 1 182 ? 28.271 0.750   -41.122 1.000 53.630  0 181 ARG   CCC NE  1 ? 55 
ATOM   3368 C CZ  . ARG   B 1 182 ? 27.425 -0.032  -40.448 1.000 53.678  0 181 ARG   CCC CZ  1 ? 55 
ATOM   3369 N NH1 . ARG   B 1 182 ? 26.844 0.400   -39.339 1.000 53.609  0 181 ARG   CCC NH1 1 ? 55 
ATOM   3370 N NH2 . ARG   B 1 182 ? 27.169 -1.254  -40.891 1.000 53.549  0 181 ARG   CCC NH2 1 ? 55 
ATOM   3371 N N   . TYR   B 1 183 ? 30.784 -1.207  -38.298 1.000 50.237  0 182 TYR   CCC N   1 ? 55 
ATOM   3372 C CA  . TYR   B 1 183 ? 30.017 -2.334  -37.702 1.000 49.893  0 182 TYR   CCC CA  1 ? 55 
ATOM   3373 C C   . TYR   B 1 183 ? 30.507 -2.576  -36.275 1.000 49.939  0 182 TYR   CCC C   1 ? 55 
ATOM   3374 O O   . TYR   B 1 183 ? 29.664 -2.670  -35.386 1.000 53.232  0 182 TYR   CCC O   1 ? 55 
ATOM   3375 C CB  . TYR   B 1 183 ? 30.127 -3.598  -38.563 1.000 49.744  0 182 TYR   CCC CB  1 ? 55 
ATOM   3376 C CG  . TYR   B 1 183 ? 29.326 -4.777  -38.072 1.000 48.304  0 182 TYR   CCC CG  1 ? 55 
ATOM   3377 C CD1 . TYR   B 1 183 ? 27.961 -4.676  -37.911 1.000 49.988  0 182 TYR   CCC CD1 1 ? 55 
ATOM   3378 C CD2 . TYR   B 1 183 ? 29.929 -5.986  -37.756 1.000 49.174  0 182 TYR   CCC CD2 1 ? 55 
ATOM   3379 C CE1 . TYR   B 1 183 ? 27.208 -5.749  -37.455 1.000 51.883  0 182 TYR   CCC CE1 1 ? 55 
ATOM   3380 C CE2 . TYR   B 1 183 ? 29.196 -7.067  -37.302 1.000 49.504  0 182 TYR   CCC CE2 1 ? 55 
ATOM   3381 C CZ  . TYR   B 1 183 ? 27.828 -6.945  -37.151 1.000 50.713  0 182 TYR   CCC CZ  1 ? 55 
ATOM   3382 O OH  . TYR   B 1 183 ? 27.084 -7.995  -36.713 1.000 55.428  0 182 TYR   CCC OH  1 ? 55 
ATOM   3383 N N   . ALA   B 1 184 ? 31.820 -2.653  -36.071 1.000 48.213  0 183 ALA   CCC N   1 ? 55 
ATOM   3384 C CA  . ALA   B 1 184 ? 32.435 -2.861  -34.742 1.000 49.746  0 183 ALA   CCC CA  1 ? 55 
ATOM   3385 C C   . ALA   B 1 184 ? 31.961 -1.764  -33.779 1.000 53.269  0 183 ALA   CCC C   1 ? 55 
ATOM   3386 O O   . ALA   B 1 184 ? 31.597 -2.099  -32.650 1.000 54.932  0 183 ALA   CCC O   1 ? 55 
ATOM   3387 C CB  . ALA   B 1 184 ? 33.937 -2.896  -34.845 1.000 48.266  0 183 ALA   CCC CB  1 ? 55 
ATOM   3388 N N   . MET   B 1 185 ? 31.967 -0.499  -34.194 1.000 55.608  0 184 MET   CCC N   1 ? 55 
ATOM   3389 C CA  . MET   B 1 185 ? 31.536 0.645   -33.337 1.000 60.709  0 184 MET   CCC CA  1 ? 55 
ATOM   3390 C C   . MET   B 1 185 ? 30.063 0.466   -32.964 1.000 58.976  0 184 MET   CCC C   1 ? 55 
ATOM   3391 O O   . MET   B 1 185 ? 29.733 0.682   -31.797 1.000 60.324  0 184 MET   CCC O   1 ? 55 
ATOM   3392 C CB  . MET   B 1 185 ? 31.714 1.993   -34.039 1.000 65.659  0 184 MET   CCC CB  1 ? 55 
ATOM   3393 C CG  . MET   B 1 185 ? 31.402 3.190   -33.144 1.000 75.479  0 184 MET   CCC CG  1 ? 55 
ATOM   3394 S SD  . MET   B 1 185 ? 32.634 3.479   -31.835 1.000 84.930  0 184 MET   CCC SD  1 ? 55 
ATOM   3395 C CE  . MET   B 1 185 ? 34.083 3.681   -32.870 1.000 82.393  0 184 MET   CCC CE  1 ? 55 
ATOM   3396 N N   . GLU   B 1 186 ? 29.221 0.090   -33.930 1.000 56.539  0 185 GLU   CCC N   1 ? 56 
ATOM   3397 C CA  . GLU   B 1 186 ? 27.759 -0.137  -33.731 1.000 57.480  0 185 GLU   CCC CA  1 ? 56 
ATOM   3398 C C   . GLU   B 1 186 ? 27.564 -1.244  -32.689 1.000 56.199  0 185 GLU   CCC C   1 ? 56 
ATOM   3399 O O   . GLU   B 1 186 ? 26.722 -1.075  -31.811 1.000 57.346  0 185 GLU   CCC O   1 ? 56 
ATOM   3400 C CB  . GLU   B 1 186 ? 27.114 -0.498  -35.073 1.000 59.210  0 185 GLU   CCC CB  1 ? 56 
ATOM   3401 C CG  . GLU   B 1 186 ? 25.600 -0.517  -35.144 1.000 62.326  0 185 GLU   CCC CG  1 ? 56 
ATOM   3402 C CD  . GLU   B 1 186 ? 25.149 -1.030  -36.504 1.000 63.628  0 185 GLU   CCC CD  1 ? 56 
ATOM   3403 O OE1 . GLU   B 1 186 ? 25.488 -2.181  -36.812 1.000 63.558  0 185 GLU   CCC OE1 1 ? 56 
ATOM   3404 O OE2 . GLU   B 1 186 ? 24.519 -0.266  -37.272 1.000 66.232  0 185 GLU   CCC OE2 1 ? 56 
ATOM   3405 N N   . GLN   B 1 187 ? 28.337 -2.327  -32.778 1.000 55.250  0 186 GLN   CCC N   1 ? 56 
ATOM   3406 C CA  . GLN   B 1 187 ? 28.127 -3.566  -31.978 1.000 55.137  0 186 GLN   CCC CA  1 ? 56 
ATOM   3407 C C   . GLN   B 1 187 ? 28.825 -3.459  -30.619 1.000 56.952  0 186 GLN   CCC C   1 ? 56 
ATOM   3408 O O   . GLN   B 1 187 ? 28.428 -4.212  -29.720 1.000 56.731  0 186 GLN   CCC O   1 ? 56 
ATOM   3409 C CB  . GLN   B 1 187 ? 28.664 -4.802  -32.714 1.000 53.353  0 186 GLN   CCC CB  1 ? 56 
ATOM   3410 C CG  . GLN   B 1 187 ? 27.889 -5.167  -33.981 1.000 52.972  0 186 GLN   CCC CG  1 ? 56 
ATOM   3411 C CD  . GLN   B 1 187 ? 26.399 -5.254  -33.766 1.000 53.511  0 186 GLN   CCC CD  1 ? 56 
ATOM   3412 O OE1 . GLN   B 1 187 ? 25.904 -5.956  -32.890 1.000 57.909  0 186 GLN   CCC OE1 1 ? 56 
ATOM   3413 N NE2 . GLN   B 1 187 ? 25.663 -4.443  -34.494 1.000 54.167  0 186 GLN   CCC NE2 1 ? 56 
ATOM   3414 N N   . GLU   B 1 188 ? 29.855 -2.609  -30.496 1.000 57.399  0 187 GLU   CCC N   1 ? 56 
ATOM   3415 C CA  . GLU   B 1 188 ? 30.774 -2.570  -29.327 1.000 59.855  0 187 GLU   CCC CA  1 ? 56 
ATOM   3416 C C   . GLU   B 1 188 ? 30.919 -1.140  -28.820 1.000 60.958  0 187 GLU   CCC C   1 ? 56 
ATOM   3417 O O   . GLU   B 1 188 ? 31.884 -0.453  -29.144 1.000 59.528  0 187 GLU   CCC O   1 ? 56 
ATOM   3418 C CB  . GLU   B 1 188 ? 32.149 -3.115  -29.688 1.000 62.675  0 187 GLU   CCC CB  1 ? 56 
ATOM   3419 C CG  . GLU   B 1 188 ? 32.099 -4.500  -30.294 1.000 66.087  0 187 GLU   CCC CG  1 ? 56 
ATOM   3420 C CD  . GLU   B 1 188 ? 31.909 -5.611  -29.289 1.000 69.151  0 187 GLU   CCC CD  1 ? 56 
ATOM   3421 O OE1 . GLU   B 1 188 ? 31.679 -5.289  -28.093 1.000 72.192  0 187 GLU   CCC OE1 1 ? 56 
ATOM   3422 O OE2 . GLU   B 1 188 ? 31.992 -6.793  -29.696 1.000 70.249  0 187 GLU   CCC OE2 1 ? 56 
ATOM   3423 N N   . PRO   B 1 189 ? 29.975 -0.672  -27.972 1.000 62.583  0 188 PRO   CCC N   1 ? 56 
ATOM   3424 C CA  . PRO   B 1 189 ? 30.064 0.671   -27.396 1.000 62.291  0 188 PRO   CCC CA  1 ? 56 
ATOM   3425 C C   . PRO   B 1 189 ? 31.379 0.920   -26.638 1.000 60.963  0 188 PRO   CCC C   1 ? 56 
ATOM   3426 O O   . PRO   B 1 189 ? 31.812 2.035   -26.598 1.000 59.556  0 188 PRO   CCC O   1 ? 56 
ATOM   3427 C CB  . PRO   B 1 189 ? 28.876 0.738   -26.425 1.000 65.018  0 188 PRO   CCC CB  1 ? 56 
ATOM   3428 C CG  . PRO   B 1 189 ? 27.917 -0.344  -26.910 1.000 65.713  0 188 PRO   CCC CG  1 ? 56 
ATOM   3429 C CD  . PRO   B 1 189 ? 28.784 -1.418  -27.529 1.000 62.697  0 188 PRO   CCC CD  1 ? 56 
ATOM   3430 N N   . HIS   B 1 190 ? 31.985 -0.124  -26.072 1.000 61.518  0 189 HIS   CCC N   1 ? 56 
ATOM   3431 C CA  . HIS   B 1 190 ? 33.246 -0.041  -25.288 1.000 64.004  0 189 HIS   CCC CA  1 ? 56 
ATOM   3432 C C   . HIS   B 1 190 ? 34.377 0.579   -26.119 1.000 61.574  0 189 HIS   CCC C   1 ? 56 
ATOM   3433 O O   . HIS   B 1 190 ? 35.365 1.013   -25.505 1.000 61.342  0 189 HIS   CCC O   1 ? 56 
ATOM   3434 C CB  . HIS   B 1 190 ? 33.652 -1.423  -24.748 1.000 67.072  0 189 HIS   CCC CB  1 ? 56 
ATOM   3435 C CG  . HIS   B 1 190 ? 32.785 -1.926  -23.639 1.000 72.055  0 189 HIS   CCC CG  1 ? 56 
ATOM   3436 N ND1 . HIS   B 1 190 ? 33.173 -2.978  -22.816 1.000 74.852  0 189 HIS   CCC ND1 1 ? 56 
ATOM   3437 C CD2 . HIS   B 1 190 ? 31.588 -1.496  -23.172 1.000 73.590  0 189 HIS   CCC CD2 1 ? 56 
ATOM   3438 C CE1 . HIS   B 1 190 ? 32.239 -3.186  -21.904 1.000 76.032  0 189 HIS   CCC CE1 1 ? 56 
ATOM   3439 N NE2 . HIS   B 1 190 ? 31.253 -2.290  -22.104 1.000 75.610  0 189 HIS   CCC NE2 1 ? 56 
ATOM   3440 N N   . LEU   B 1 191 ? 34.265 0.596   -27.451 1.000 60.567  0 190 LEU   CCC N   1 ? 56 
ATOM   3441 C CA  . LEU   B 1 191 ? 35.298 1.206   -28.334 1.000 60.400  0 190 LEU   CCC CA  1 ? 56 
ATOM   3442 C C   . LEU   B 1 191 ? 35.349 2.720   -28.074 1.000 62.382  0 190 LEU   CCC C   1 ? 56 
ATOM   3443 O O   . LEU   B 1 191 ? 36.442 3.296   -28.148 1.000 63.217  0 190 LEU   CCC O   1 ? 56 
ATOM   3444 C CB  . LEU   B 1 191 ? 35.004 0.879   -29.802 1.000 57.387  0 190 LEU   CCC CB  1 ? 56 
ATOM   3445 C CG  . LEU   B 1 191 ? 35.482 -0.499  -30.273 1.000 56.807  0 190 LEU   CCC CG  1 ? 56 
ATOM   3446 C CD1 . LEU   B 1 191 ? 34.902 -0.863  -31.633 1.000 56.860  0 190 LEU   CCC CD1 1 ? 56 
ATOM   3447 C CD2 . LEU   B 1 191 ? 36.992 -0.567  -30.328 1.000 56.387  0 190 LEU   CCC CD2 1 ? 56 
ATOM   3448 N N   . MET   B 1 192 ? 34.217 3.334   -27.728 1.000 69.138  0 191 MET   CCC N   1 ? 57 
ATOM   3449 C CA  . MET   B 1 192 ? 34.108 4.795   -27.467 1.000 71.841  0 191 MET   CCC CA  1 ? 57 
ATOM   3450 C C   . MET   B 1 192 ? 34.699 5.185   -26.101 1.000 68.145  0 191 MET   CCC C   1 ? 57 
ATOM   3451 O O   . MET   B 1 192 ? 34.947 6.377   -25.899 1.000 66.542  0 191 MET   CCC O   1 ? 57 
ATOM   3452 C CB  . MET   B 1 192 ? 32.646 5.245   -27.536 1.000 76.897  0 191 MET   CCC CB  1 ? 57 
ATOM   3453 C CG  . MET   B 1 192 ? 32.291 5.888   -28.864 1.000 81.264  0 191 MET   CCC CG  1 ? 57 
ATOM   3454 S SD  . MET   B 1 192 ? 30.727 6.775   -28.756 1.000 92.895  0 191 MET   CCC SD  1 ? 57 
ATOM   3455 C CE  . MET   B 1 192 ? 29.605 5.397   -28.501 1.000 94.140  0 191 MET   CCC CE  1 ? 57 
ATOM   3456 N N   . LYS   B 1 193 ? 34.898 4.249   -25.184 1.000 68.316  0 192 LYS   CCC N   1 ? 57 
ATOM   3457 C CA  . LYS   B 1 193 ? 35.382 4.561   -23.809 1.000 69.394  0 192 LYS   CCC CA  1 ? 57 
ATOM   3458 C C   . LYS   B 1 193 ? 36.752 5.240   -23.885 1.000 69.308  0 192 LYS   CCC C   1 ? 57 
ATOM   3459 O O   . LYS   B 1 193 ? 37.615 4.732   -24.617 1.000 69.766  0 192 LYS   CCC O   1 ? 57 
ATOM   3460 C CB  . LYS   B 1 193 ? 35.428 3.306   -22.936 1.000 72.116  0 192 LYS   CCC CB  1 ? 57 
ATOM   3461 C CG  . LYS   B 1 193 ? 34.093 2.956   -22.296 1.000 74.935  0 192 LYS   CCC CG  1 ? 57 
ATOM   3462 C CD  . LYS   B 1 193 ? 33.952 1.493   -21.952 1.000 78.959  0 192 LYS   CCC CD  1 ? 57 
ATOM   3463 C CE  . LYS   B 1 193 ? 34.529 1.096   -20.611 1.000 80.260  0 192 LYS   CCC CE  1 ? 57 
ATOM   3464 N NZ  . LYS   B 1 193 ? 34.572 -0.379  -20.485 1.000 82.574  0 192 LYS   CCC NZ  1 ? 57 
ATOM   3465 N N   . GLY   B 1 194 ? 36.920 6.359   -23.170 1.000 68.066  0 193 GLY   CCC N   1 ? 57 
ATOM   3466 C CA  . GLY   B 1 194 ? 38.201 7.089   -23.070 1.000 66.678  0 193 GLY   CCC CA  1 ? 57 
ATOM   3467 C C   . GLY   B 1 194 ? 38.567 7.803   -24.364 1.000 64.288  0 193 GLY   CCC C   1 ? 57 
ATOM   3468 O O   . GLY   B 1 194 ? 39.772 7.995   -24.589 1.000 63.667  0 193 GLY   CCC O   1 ? 57 
ATOM   3469 N N   . THR   B 1 195 ? 37.570 8.186   -25.176 1.000 63.121  0 194 THR   CCC N   1 ? 57 
ATOM   3470 C CA  . THR   B 1 195 ? 37.763 8.899   -26.470 1.000 62.440  0 194 THR   CCC CA  1 ? 57 
ATOM   3471 C C   . THR   B 1 195 ? 37.151 10.305  -26.422 1.000 61.742  0 194 THR   CCC C   1 ? 57 
ATOM   3472 O O   . THR   B 1 195 ? 37.223 10.995  -27.454 1.000 62.387  0 194 THR   CCC O   1 ? 57 
ATOM   3473 C CB  . THR   B 1 195 ? 37.155 8.108   -27.634 1.000 62.668  0 194 THR   CCC CB  1 ? 57 
ATOM   3474 O OG1 . THR   B 1 195 ? 35.733 8.184   -27.506 1.000 60.934  0 194 THR   CCC OG1 1 ? 57 
ATOM   3475 C CG2 . THR   B 1 195 ? 37.622 6.665   -27.668 1.000 62.867  0 194 THR   CCC CG2 1 ? 57 
ATOM   3476 N N   . TRP   B 1 196 ? 36.551 10.705  -25.295 1.000 61.219  0 195 TRP   CCC N   1 ? 57 
ATOM   3477 C CA  . TRP   B 1 196 ? 35.881 12.021  -25.106 1.000 63.174  0 195 TRP   CCC CA  1 ? 57 
ATOM   3478 C C   . TRP   B 1 196 ? 34.696 12.164  -26.074 1.000 67.011  0 195 TRP   CCC C   1 ? 57 
ATOM   3479 O O   . TRP   B 1 196 ? 34.283 13.310  -26.346 1.000 70.393  0 195 TRP   CCC O   1 ? 57 
ATOM   3480 C CB  . TRP   B 1 196 ? 36.903 13.150  -25.252 1.000 61.601  0 195 TRP   CCC CB  1 ? 57 
ATOM   3481 C CG  . TRP   B 1 196 ? 37.734 13.375  -24.029 1.000 59.241  0 195 TRP   CCC CG  1 ? 57 
ATOM   3482 C CD1 . TRP   B 1 196 ? 37.580 14.387  -23.127 1.000 59.590  0 195 TRP   CCC CD1 1 ? 57 
ATOM   3483 C CD2 . TRP   B 1 196 ? 38.832 12.577  -23.550 1.000 57.356  0 195 TRP   CCC CD2 1 ? 57 
ATOM   3484 N NE1 . TRP   B 1 196 ? 38.509 14.281  -22.130 1.000 58.324  0 195 TRP   CCC NE1 1 ? 57 
ATOM   3485 C CE2 . TRP   B 1 196 ? 39.299 13.191  -22.366 1.000 57.129  0 195 TRP   CCC CE2 1 ? 57 
ATOM   3486 C CE3 . TRP   B 1 196 ? 39.470 11.414  -23.996 1.000 57.427  0 195 TRP   CCC CE3 1 ? 57 
ATOM   3487 C CZ2 . TRP   B 1 196 ? 40.369 12.689  -21.632 1.000 57.460  0 195 TRP   CCC CZ2 1 ? 57 
ATOM   3488 C CZ3 . TRP   B 1 196 ? 40.525 10.910  -23.270 1.000 57.497  0 195 TRP   CCC CZ3 1 ? 57 
ATOM   3489 C CH2 . TRP   B 1 196 ? 40.960 11.537  -22.099 1.000 59.389  0 195 TRP   CCC CH2 1 ? 57 
ATOM   3490 N N   . MET   B 1 197 ? 34.164 11.041  -26.559 1.000 72.345  0 196 MET   CCC N   1 ? 57 
ATOM   3491 C CA  . MET   B 1 197 ? 33.077 11.007  -27.571 1.000 79.402  0 196 MET   CCC CA  1 ? 57 
ATOM   3492 C C   . MET   B 1 197 ? 31.753 10.629  -26.893 1.000 83.140  0 196 MET   CCC C   1 ? 57 
ATOM   3493 O O   . MET   B 1 197 ? 31.568 9.451   -26.579 1.000 86.526  0 196 MET   CCC O   1 ? 57 
ATOM   3494 C CB  . MET   B 1 197 ? 33.405 10.005  -28.681 1.000 82.664  0 196 MET   CCC CB  1 ? 57 
ATOM   3495 C CG  . MET   B 1 197 ? 34.477 10.497  -29.635 1.000 84.933  0 196 MET   CCC CG  1 ? 57 
ATOM   3496 S SD  . MET   B 1 197 ? 33.825 11.736  -30.801 1.000 90.182  0 196 MET   CCC SD  1 ? 57 
ATOM   3497 C CE  . MET   B 1 197 ? 33.093 10.690  -32.060 1.000 92.472  0 196 MET   CCC CE  1 ? 57 
ATOM   3498 N N   . THR   B 1 198 ? 30.885 11.612  -26.648 1.000 85.726  0 197 THR   CCC N   1 ? 57 
ATOM   3499 C CA  . THR   B 1 198 ? 29.499 11.409  -26.143 1.000 88.933  0 197 THR   CCC CA  1 ? 57 
ATOM   3500 C C   . THR   B 1 198 ? 28.626 10.901  -27.302 1.000 92.647  0 197 THR   CCC C   1 ? 57 
ATOM   3501 O O   . THR   B 1 198 ? 28.930 11.240  -28.474 1.000 94.086  0 197 THR   CCC O   1 ? 57 
ATOM   3502 C CB  . THR   B 1 198 ? 28.932 12.690  -25.510 1.000 91.765  0 197 THR   CCC CB  1 ? 57 
ATOM   3503 O OG1 . THR   B 1 198 ? 28.896 13.725  -26.492 1.000 93.808  0 197 THR   CCC OG1 1 ? 57 
ATOM   3504 C CG2 . THR   B 1 198 ? 29.728 13.183  -24.320 1.000 90.861  0 197 THR   CCC CG2 1 ? 57 
ATOM   3505 N N   . SER   B 1 199 ? 27.582 10.122  -26.983 1.000 97.454  0 198 SER   CCC N   1 ? 58 
ATOM   3506 C CA  . SER   B 1 199 ? 26.551 9.602   -27.928 1.000 95.137  0 198 SER   CCC CA  1 ? 58 
ATOM   3507 C C   . SER   B 1 199 ? 25.966 10.747  -28.766 1.000 93.325  0 198 SER   CCC C   1 ? 58 
ATOM   3508 O O   . SER   B 1 199 ? 25.698 10.531  -29.966 1.000 90.668  0 198 SER   CCC O   1 ? 58 
ATOM   3509 C CB  . SER   B 1 199 ? 25.459 8.868   -27.187 1.000 96.703  0 198 SER   CCC CB  1 ? 58 
ATOM   3510 O OG  . SER   B 1 199 ? 25.909 7.589   -26.766 1.000 96.555  0 198 SER   CCC OG  1 ? 58 
ATOM   3511 N N   . GLU   B 1 200 ? 25.763 11.908  -28.136 1.000 93.393  0 199 GLU   CCC N   1 ? 58 
ATOM   3512 C CA  . GLU   B 1 200 ? 25.301 13.165  -28.781 1.000 95.419  0 199 GLU   CCC CA  1 ? 58 
ATOM   3513 C C   . GLU   B 1 200 ? 26.247 13.534  -29.936 1.000 94.235  0 199 GLU   CCC C   1 ? 58 
ATOM   3514 O O   . GLU   B 1 200 ? 25.743 13.765  -31.057 1.000 93.389  0 199 GLU   CCC O   1 ? 58 
ATOM   3515 C CB  . GLU   B 1 200 ? 25.215 14.275  -27.730 1.000 98.940  0 199 GLU   CCC CB  1 ? 58 
ATOM   3516 C CG  . GLU   B 1 200 ? 24.418 15.489  -28.180 1.000 102.959 0 199 GLU   CCC CG  1 ? 58 
ATOM   3517 C CD  . GLU   B 1 200 ? 24.342 16.613  -27.159 1.000 107.121 0 199 GLU   CCC CD  1 ? 58 
ATOM   3518 O OE1 . GLU   B 1 200 ? 24.486 16.319  -25.953 1.000 107.695 0 199 GLU   CCC OE1 1 ? 58 
ATOM   3519 O OE2 . GLU   B 1 200 ? 24.132 17.779  -27.563 1.000 109.173 0 199 GLU   CCC OE2 1 ? 58 
ATOM   3520 N N   . VAL   B 1 201 ? 27.562 13.571  -29.683 1.000 92.511  0 200 VAL   CCC N   1 ? 58 
ATOM   3521 C CA  . VAL   B 1 201 ? 28.598 14.024  -30.662 1.000 90.276  0 200 VAL   CCC CA  1 ? 58 
ATOM   3522 C C   . VAL   B 1 201 ? 28.771 12.958  -31.751 1.000 87.492  0 200 VAL   CCC C   1 ? 58 
ATOM   3523 O O   . VAL   B 1 201 ? 28.908 13.352  -32.935 1.000 85.319  0 200 VAL   CCC O   1 ? 58 
ATOM   3524 C CB  . VAL   B 1 201 ? 29.937 14.356  -29.974 1.000 92.344  0 200 VAL   CCC CB  1 ? 58 
ATOM   3525 C CG1 . VAL   B 1 201 ? 31.030 14.665  -30.988 1.000 92.658  0 200 VAL   CCC CG1 1 ? 58 
ATOM   3526 C CG2 . VAL   B 1 201 ? 29.794 15.508  -28.986 1.000 95.644  0 200 VAL   CCC CG2 1 ? 58 
ATOM   3527 N N   . LEU   B 1 202 ? 28.773 11.673  -31.377 1.000 85.877  0 201 LEU   CCC N   1 ? 58 
ATOM   3528 C CA  . LEU   B 1 202 ? 28.847 10.542  -32.344 1.000 87.021  0 201 LEU   CCC CA  1 ? 58 
ATOM   3529 C C   . LEU   B 1 202 ? 27.687 10.666  -33.342 1.000 89.651  0 201 LEU   CCC C   1 ? 58 
ATOM   3530 O O   . LEU   B 1 202 ? 27.938 10.587  -34.561 1.000 91.354  0 201 LEU   CCC O   1 ? 58 
ATOM   3531 C CB  . LEU   B 1 202 ? 28.791 9.203   -31.601 1.000 87.145  0 201 LEU   CCC CB  1 ? 58 
ATOM   3532 C CG  . LEU   B 1 202 ? 28.868 7.955   -32.490 1.000 88.533  0 201 LEU   CCC CG  1 ? 58 
ATOM   3533 C CD1 . LEU   B 1 202 ? 30.190 7.892   -33.240 1.000 90.517  0 201 LEU   CCC CD1 1 ? 58 
ATOM   3534 C CD2 . LEU   B 1 202 ? 28.668 6.680   -31.680 1.000 90.233  0 201 LEU   CCC CD2 1 ? 58 
ATOM   3535 N N   . SER   B 1 203 ? 26.467 10.858  -32.832 1.000 91.431  0 202 SER   CCC N   1 ? 58 
ATOM   3536 C CA  . SER   B 1 203 ? 25.225 11.030  -33.629 1.000 92.547  0 202 SER   CCC CA  1 ? 58 
ATOM   3537 C C   . SER   B 1 203 ? 25.404 12.167  -34.649 1.000 91.279  0 202 SER   CCC C   1 ? 58 
ATOM   3538 O O   . SER   B 1 203 ? 25.106 11.937  -35.841 1.000 91.359  0 202 SER   CCC O   1 ? 58 
ATOM   3539 C CB  . SER   B 1 203 ? 24.044 11.260  -32.724 1.000 93.726  0 202 SER   CCC CB  1 ? 58 
ATOM   3540 O OG  . SER   B 1 203 ? 22.860 11.436  -33.480 1.000 98.587  0 202 SER   CCC OG  1 ? 58 
ATOM   3541 N N   . TRP   B 1 204 ? 25.898 13.332  -34.207 1.000 89.109  0 203 TRP   CCC N   1 ? 58 
ATOM   3542 C CA  . TRP   B 1 204 ? 26.191 14.506  -35.078 1.000 89.897  0 203 TRP   CCC CA  1 ? 58 
ATOM   3543 C C   . TRP   B 1 204 ? 27.209 14.119  -36.159 1.000 88.910  0 203 TRP   CCC C   1 ? 58 
ATOM   3544 O O   . TRP   B 1 204 ? 27.001 14.482  -37.338 1.000 88.281  0 203 TRP   CCC O   1 ? 58 
ATOM   3545 C CB  . TRP   B 1 204 ? 26.697 15.705  -34.268 1.000 90.754  0 203 TRP   CCC CB  1 ? 58 
ATOM   3546 C CG  . TRP   B 1 204 ? 26.858 16.936  -35.109 1.000 93.716  0 203 TRP   CCC CG  1 ? 58 
ATOM   3547 C CD1 . TRP   B 1 204 ? 25.957 17.951  -35.264 1.000 97.237  0 203 TRP   CCC CD1 1 ? 58 
ATOM   3548 C CD2 . TRP   B 1 204 ? 27.973 17.262  -35.960 1.000 95.141  0 203 TRP   CCC CD2 1 ? 58 
ATOM   3549 N NE1 . TRP   B 1 204 ? 26.441 18.889  -36.137 1.000 99.413  0 203 TRP   CCC NE1 1 ? 58 
ATOM   3550 C CE2 . TRP   B 1 204 ? 27.678 18.498  -36.575 1.000 97.347  0 203 TRP   CCC CE2 1 ? 58 
ATOM   3551 C CE3 . TRP   B 1 204 ? 29.193 16.641  -36.253 1.000 95.217  0 203 TRP   CCC CE3 1 ? 58 
ATOM   3552 C CZ2 . TRP   B 1 204 ? 28.558 19.118  -37.462 1.000 98.399  0 203 TRP   CCC CZ2 1 ? 58 
ATOM   3553 C CZ3 . TRP   B 1 204 ? 30.060 17.254  -37.132 1.000 96.062  0 203 TRP   CCC CZ3 1 ? 58 
ATOM   3554 C CH2 . TRP   B 1 204 ? 29.741 18.471  -37.733 1.000 97.486  0 203 TRP   CCC CH2 1 ? 58 
ATOM   3555 N N   . LEU   B 1 205 ? 28.292 13.443  -35.765 1.000 87.956  0 204 LEU   CCC N   1 ? 58 
ATOM   3556 C CA  . LEU   B 1 205 ? 29.375 13.014  -36.692 1.000 88.056  0 204 LEU   CCC CA  1 ? 58 
ATOM   3557 C C   . LEU   B 1 205 ? 28.801 12.038  -37.728 1.000 89.535  0 204 LEU   CCC C   1 ? 58 
ATOM   3558 O O   . LEU   B 1 205 ? 29.151 12.165  -38.917 1.000 88.899  0 204 LEU   CCC O   1 ? 58 
ATOM   3559 C CB  . LEU   B 1 205 ? 30.509 12.376  -35.881 1.000 86.514  0 204 LEU   CCC CB  1 ? 58 
ATOM   3560 C CG  . LEU   B 1 205 ? 31.632 11.744  -36.694 1.000 86.478  0 204 LEU   CCC CG  1 ? 58 
ATOM   3561 C CD1 . LEU   B 1 205 ? 32.269 12.778  -37.605 1.000 87.205  0 204 LEU   CCC CD1 1 ? 58 
ATOM   3562 C CD2 . LEU   B 1 205 ? 32.666 11.109  -35.774 1.000 87.433  0 204 LEU   CCC CD2 1 ? 58 
ATOM   3563 N N   . GLN   B 1 206 ? 27.951 11.108  -37.285 1.000 92.114  0 205 GLN   CCC N   1 ? 58 
ATOM   3564 C CA  . GLN   B 1 206 ? 27.306 10.082  -38.152 1.000 97.570  0 205 GLN   CCC CA  1 ? 58 
ATOM   3565 C C   . GLN   B 1 206 ? 26.520 10.797  -39.264 1.000 100.242 0 205 GLN   CCC C   1 ? 58 
ATOM   3566 O O   . GLN   B 1 206 ? 26.617 10.356  -40.426 1.000 102.548 0 205 GLN   CCC O   1 ? 58 
ATOM   3567 C CB  . GLN   B 1 206 ? 26.387 9.163   -37.341 1.000 100.505 0 205 GLN   CCC CB  1 ? 58 
ATOM   3568 C CG  . GLN   B 1 206 ? 27.101 8.304   -36.307 1.000 100.605 0 205 GLN   CCC CG  1 ? 58 
ATOM   3569 C CD  . GLN   B 1 206 ? 27.792 7.083   -36.862 1.000 103.515 0 205 GLN   CCC CD  1 ? 58 
ATOM   3570 O OE1 . GLN   B 1 206 ? 28.000 6.930   -38.066 1.000 106.149 0 205 GLN   CCC OE1 1 ? 58 
ATOM   3571 N NE2 . GLN   B 1 206 ? 28.177 6.199   -35.956 1.000 103.579 0 205 GLN   CCC NE2 1 ? 58 
ATOM   3572 N N   . GLN   B 1 207 ? 25.796 11.870  -38.931 1.000 94.353  0 206 GLN   CCC N   1 ? 59 
ATOM   3573 C CA  . GLN   B 1 207 ? 25.001 12.670  -39.907 1.000 96.546  0 206 GLN   CCC CA  1 ? 59 
ATOM   3574 C C   . GLN   B 1 207 ? 25.964 13.286  -40.937 1.000 93.270  0 206 GLN   CCC C   1 ? 59 
ATOM   3575 O O   . GLN   B 1 207 ? 25.718 13.122  -42.160 1.000 92.048  0 206 GLN   CCC O   1 ? 59 
ATOM   3576 C CB  . GLN   B 1 207 ? 24.175 13.788  -39.256 1.000 101.455 0 206 GLN   CCC CB  1 ? 59 
ATOM   3577 C CG  . GLN   B 1 207 ? 23.462 13.472  -37.947 1.000 106.552 0 206 GLN   CCC CG  1 ? 59 
ATOM   3578 C CD  . GLN   B 1 207 ? 22.614 14.628  -37.463 1.000 112.669 0 206 GLN   CCC CD  1 ? 59 
ATOM   3579 O OE1 . GLN   B 1 207 ? 22.066 15.410  -38.241 1.000 115.479 0 206 GLN   CCC OE1 1 ? 59 
ATOM   3580 N NE2 . GLN   B 1 207 ? 22.505 14.753  -36.148 1.000 114.810 0 206 GLN   CCC NE2 1 ? 59 
ATOM   3581 N N   . ALA   B 1 208 ? 27.026 13.952  -40.462 1.000 92.090  0 207 ALA   CCC N   1 ? 59 
ATOM   3582 C CA  . ALA   B 1 208 ? 28.049 14.628  -41.293 1.000 89.410  0 207 ALA   CCC CA  1 ? 59 
ATOM   3583 C C   . ALA   B 1 208 ? 28.677 13.622  -42.264 1.000 86.769  0 207 ALA   CCC C   1 ? 59 
ATOM   3584 O O   . ALA   B 1 208 ? 28.839 13.962  -43.454 1.000 87.758  0 207 ALA   CCC O   1 ? 59 
ATOM   3585 C CB  . ALA   B 1 208 ? 29.087 15.275  -40.412 1.000 90.451  0 207 ALA   CCC CB  1 ? 59 
ATOM   3586 N N   . ILE   B 1 209 ? 29.009 12.423  -41.775 1.000 86.221  0 208 ILE   CCC N   1 ? 59 
ATOM   3587 C CA  . ILE   B 1 209 ? 29.629 11.337  -42.591 1.000 85.401  0 208 ILE   CCC CA  1 ? 59 
ATOM   3588 C C   . ILE   B 1 209 ? 28.605 10.864  -43.631 1.000 86.395  0 208 ILE   CCC C   1 ? 59 
ATOM   3589 O O   . ILE   B 1 209 ? 29.003 10.659  -44.789 1.000 87.510  0 208 ILE   CCC O   1 ? 59 
ATOM   3590 C CB  . ILE   B 1 209 ? 30.147 10.185  -41.707 1.000 84.843  0 208 ILE   CCC CB  1 ? 59 
ATOM   3591 C CG1 . ILE   B 1 209 ? 31.300 10.626  -40.799 1.000 85.416  0 208 ILE   CCC CG1 1 ? 59 
ATOM   3592 C CG2 . ILE   B 1 209 ? 30.550 8.998   -42.569 1.000 85.329  0 208 ILE   CCC CG2 1 ? 59 
ATOM   3593 C CD1 . ILE   B 1 209 ? 31.557 9.693   -39.630 1.000 86.239  0 208 ILE   CCC CD1 1 ? 59 
ATOM   3594 N N   . GLY   B 1 210 ? 27.339 10.703  -43.232 1.000 87.916  0 209 GLY   CCC N   1 ? 59 
ATOM   3595 C CA  . GLY   B 1 210 ? 26.237 10.326  -44.141 1.000 88.686  0 209 GLY   CCC CA  1 ? 59 
ATOM   3596 C C   . GLY   B 1 210 ? 26.196 11.230  -45.364 1.000 89.181  0 209 GLY   CCC C   1 ? 59 
ATOM   3597 O O   . GLY   B 1 210 ? 26.180 10.708  -46.508 1.000 88.174  0 209 GLY   CCC O   1 ? 59 
ATOM   3598 N N   . VAL   B 1 211 ? 26.199 12.546  -45.135 1.000 90.248  0 210 VAL   CCC N   1 ? 59 
ATOM   3599 C CA  . VAL   B 1 211 ? 26.158 13.593  -46.199 1.000 91.838  0 210 VAL   CCC CA  1 ? 59 
ATOM   3600 C C   . VAL   B 1 211 ? 27.388 13.419  -47.099 1.000 94.128  0 210 VAL   CCC C   1 ? 59 
ATOM   3601 O O   . VAL   B 1 211 ? 27.219 13.387  -48.331 1.000 95.614  0 210 VAL   CCC O   1 ? 59 
ATOM   3602 C CB  . VAL   B 1 211 ? 26.099 15.011  -45.598 1.000 93.023  0 210 VAL   CCC CB  1 ? 59 
ATOM   3603 C CG1 . VAL   B 1 211 ? 26.293 16.084  -46.663 1.000 93.587  0 210 VAL   CCC CG1 1 ? 59 
ATOM   3604 C CG2 . VAL   B 1 211 ? 24.809 15.249  -44.820 1.000 93.657  0 210 VAL   CCC CG2 1 ? 59 
ATOM   3605 N N   . MET   B 1 212 ? 28.572 13.310  -46.491 1.000 95.079  0 211 MET   CCC N   1 ? 59 
ATOM   3606 C CA  . MET   B 1 212 ? 29.883 13.221  -47.190 1.000 97.391  0 211 MET   CCC CA  1 ? 59 
ATOM   3607 C C   . MET   B 1 212 ? 29.873 12.043  -48.171 1.000 100.950 0 211 MET   CCC C   1 ? 59 
ATOM   3608 O O   . MET   B 1 212 ? 30.320 12.237  -49.311 1.000 103.089 0 211 MET   CCC O   1 ? 59 
ATOM   3609 C CB  . MET   B 1 212 ? 31.022 13.049  -46.181 1.000 97.104  0 211 MET   CCC CB  1 ? 59 
ATOM   3610 C CG  . MET   B 1 212 ? 32.410 13.055  -46.797 1.000 98.767  0 211 MET   CCC CG  1 ? 59 
ATOM   3611 S SD  . MET   B 1 212 ? 33.720 12.856  -45.551 1.000 99.006  0 211 MET   CCC SD  1 ? 59 
ATOM   3612 C CE  . MET   B 1 212 ? 33.253 11.304  -44.786 1.000 98.957  0 211 MET   CCC CE  1 ? 59 
ATOM   3613 N N   . MET   B 1 213 ? 29.369 10.879  -47.746 1.000 105.576 0 212 MET   CCC N   1 ? 59 
ATOM   3614 C CA  . MET   B 1 213 ? 29.403 9.613   -48.529 1.000 110.800 0 212 MET   CCC CA  1 ? 59 
ATOM   3615 C C   . MET   B 1 213 ? 28.503 9.737   -49.764 1.000 113.237 0 212 MET   CCC C   1 ? 59 
ATOM   3616 O O   . MET   B 1 213 ? 28.906 9.234   -50.831 1.000 112.170 0 212 MET   CCC O   1 ? 59 
ATOM   3617 C CB  . MET   B 1 213 ? 28.947 8.419   -47.678 1.000 113.136 0 212 MET   CCC CB  1 ? 59 
ATOM   3618 C CG  . MET   B 1 213 ? 29.843 8.146   -46.468 1.000 115.151 0 212 MET   CCC CG  1 ? 59 
ATOM   3619 S SD  . MET   B 1 213 ? 31.401 7.321   -46.928 1.000 122.283 0 212 MET   CCC SD  1 ? 59 
ATOM   3620 C CE  . MET   B 1 213 ? 32.323 7.432   -45.395 1.000 120.875 0 212 MET   CCC CE  1 ? 59 
ATOM   3621 N N   . ARG   B 1 214 ? 27.344 10.393  -49.622 1.000 109.672 0 213 ARG   CCC N   1 ? 60 
ATOM   3622 C CA  . ARG   B 1 214 ? 26.299 10.497  -50.679 1.000 113.371 0 213 ARG   CCC CA  1 ? 60 
ATOM   3623 C C   . ARG   B 1 214 ? 26.687 11.586  -51.696 1.000 114.531 0 213 ARG   CCC C   1 ? 60 
ATOM   3624 O O   . ARG   B 1 214 ? 26.303 11.452  -52.875 1.000 116.038 0 213 ARG   CCC O   1 ? 60 
ATOM   3625 C CB  . ARG   B 1 214 ? 24.928 10.741  -50.043 1.000 113.927 0 213 ARG   CCC CB  1 ? 60 
ATOM   3626 C CG  . ARG   B 1 214 ? 24.539 12.205  -49.915 1.000 114.754 0 213 ARG   CCC CG  1 ? 60 
ATOM   3627 C CD  . ARG   B 1 214 ? 23.201 12.418  -49.218 1.000 117.329 0 213 ARG   CCC CD  1 ? 60 
ATOM   3628 N NE  . ARG   B 1 214 ? 23.038 11.632  -47.992 1.000 119.963 0 213 ARG   CCC NE  1 ? 60 
ATOM   3629 C CZ  . ARG   B 1 214 ? 22.440 12.040  -46.868 1.000 122.665 0 213 ARG   CCC CZ  1 ? 60 
ATOM   3630 N NH1 . ARG   B 1 214 ? 22.359 11.216  -45.836 1.000 124.132 0 213 ARG   CCC NH1 1 ? 60 
ATOM   3631 N NH2 . ARG   B 1 214 ? 21.917 13.252  -46.774 1.000 123.683 0 213 ARG   CCC NH2 1 ? 60 
ATOM   3632 N N   . GLN   B 1 215 ? 27.405 12.628  -51.262 1.000 113.271 0 214 GLN   CCC N   1 ? 60 
ATOM   3633 C CA  . GLN   B 1 215 ? 27.862 13.741  -52.137 1.000 114.730 0 214 GLN   CCC CA  1 ? 60 
ATOM   3634 C C   . GLN   B 1 215 ? 29.256 13.429  -52.690 1.000 117.809 0 214 GLN   CCC C   1 ? 60 
ATOM   3635 O O   . GLN   B 1 215 ? 29.928 14.387  -53.136 1.000 119.562 0 214 GLN   CCC O   1 ? 60 
ATOM   3636 C CB  . GLN   B 1 215 ? 27.858 15.075  -51.386 1.000 115.150 0 214 GLN   CCC CB  1 ? 60 
ATOM   3637 C CG  . GLN   B 1 215 ? 26.464 15.555  -50.998 1.000 117.015 0 214 GLN   CCC CG  1 ? 60 
ATOM   3638 C CD  . GLN   B 1 215 ? 26.440 17.001  -50.567 1.000 119.284 0 214 GLN   CCC CD  1 ? 60 
ATOM   3639 O OE1 . GLN   B 1 215 ? 27.397 17.747  -50.766 1.000 120.472 0 214 GLN   CCC OE1 1 ? 60 
ATOM   3640 N NE2 . GLN   B 1 215 ? 25.327 17.416  -49.983 1.000 120.862 0 214 GLN   CCC NE2 1 ? 60 
ATOM   3641 N N   . ALA   B 1 216 ? 29.682 12.155  -52.660 1.000 121.171 0 215 ALA   CCC N   1 ? 60 
ATOM   3642 C CA  . ALA   B 1 216 ? 30.935 11.634  -53.266 1.000 121.501 0 215 ALA   CCC CA  1 ? 60 
ATOM   3643 C C   . ALA   B 1 216 ? 30.654 11.128  -54.690 1.000 127.311 0 215 ALA   CCC C   1 ? 60 
ATOM   3644 O O   . ALA   B 1 216 ? 31.425 10.282  -55.181 1.000 125.404 0 215 ALA   CCC O   1 ? 60 
ATOM   3645 C CB  . ALA   B 1 216 ? 31.523 10.547  -52.399 1.000 121.164 0 215 ALA   CCC CB  1 ? 60 
ATOM   3646 N N   . GLN   B 1 217 ? 29.585 11.648  -55.312 1.000 132.067 0 216 GLN   CCC N   1 ? 60 
ATOM   3647 C CA  . GLN   B 1 217 ? 29.256 11.515  -56.759 1.000 133.256 0 216 GLN   CCC CA  1 ? 60 
ATOM   3648 C C   . GLN   B 1 217 ? 30.108 12.514  -57.556 1.000 132.000 0 216 GLN   CCC C   1 ? 60 
ATOM   3649 O O   . GLN   B 1 217 ? 30.933 12.193  -58.412 1.000 128.733 0 216 GLN   CCC O   1 ? 60 
ATOM   3650 C CB  . GLN   B 1 217 ? 27.769 11.800  -56.999 1.000 133.419 0 216 GLN   CCC CB  1 ? 60 
ATOM   3651 C CG  . GLN   B 1 217 ? 26.816 10.920  -56.198 1.000 132.293 0 216 GLN   CCC CG  1 ? 60 
ATOM   3652 C CD  . GLN   B 1 217 ? 26.707 9.519   -56.751 1.000 134.509 0 216 GLN   CCC CD  1 ? 60 
ATOM   3653 O OE1 . GLN   B 1 217 ? 26.300 9.308   -57.893 1.000 134.016 0 216 GLN   CCC OE1 1 ? 60 
ATOM   3654 N NE2 . GLN   B 1 217 ? 27.059 8.541   -55.932 1.000 133.122 0 216 GLN   CCC NE2 1 ? 60 
ATOM   3655 N N   . GLY   C 1 1   ? 0.183  -14.868 -25.220 1.000 132.928 0 0   GLY   AAA N   1 ? 1  
ATOM   3656 C CA  . GLY   C 1 1   ? 0.573  -13.640 -24.480 1.000 122.182 0 0   GLY   AAA CA  1 ? 1  
ATOM   3657 C C   . GLY   C 1 1   ? 0.410  -13.804 -22.977 1.000 113.732 0 0   GLY   AAA C   1 ? 1  
ATOM   3658 O O   . GLY   C 1 1   ? -0.369 -13.042 -22.380 1.000 109.985 0 0   GLY   AAA O   1 ? 1  
ATOM   3659 N N   . MET   C 1 2   ? 1.129  -14.754 -22.377 1.000 111.485 0 1   MET   AAA N   1 ? 1  
ATOM   3660 C CA  . MET   C 1 2   ? 1.077  -15.025 -20.915 1.000 104.105 0 1   MET   AAA CA  1 ? 1  
ATOM   3661 C C   . MET   C 1 2   ? 1.497  -13.760 -20.149 1.000 94.487  0 1   MET   AAA C   1 ? 1  
ATOM   3662 O O   . MET   C 1 2   ? 0.731  -13.333 -19.267 1.000 90.226  0 1   MET   AAA O   1 ? 1  
ATOM   3663 C CB  . MET   C 1 2   ? 1.990  -16.193 -20.540 1.000 104.504 0 1   MET   AAA CB  1 ? 1  
ATOM   3664 C CG  . MET   C 1 2   ? 1.814  -16.651 -19.108 1.000 100.182 0 1   MET   AAA CG  1 ? 1  
ATOM   3665 S SD  . MET   C 1 2   ? 2.859  -18.052 -18.694 1.000 102.643 0 1   MET   AAA SD  1 ? 1  
ATOM   3666 C CE  . MET   C 1 2   ? 4.473  -17.379 -19.092 1.000 100.331 0 1   MET   AAA CE  1 ? 1  
ATOM   3667 N N   . TYR   C 1 3   ? 2.650  -13.168 -20.480 1.000 92.416  0 2   TYR   AAA N   1 ? 1  
ATOM   3668 C CA  . TYR   C 1 3   ? 3.201  -11.975 -19.783 1.000 86.964  0 2   TYR   AAA CA  1 ? 1  
ATOM   3669 C C   . TYR   C 1 3   ? 2.260  -10.775 -19.973 1.000 86.702  0 2   TYR   AAA C   1 ? 1  
ATOM   3670 O O   . TYR   C 1 3   ? 2.230  -9.891  -19.091 1.000 80.793  0 2   TYR   AAA O   1 ? 1  
ATOM   3671 C CB  . TYR   C 1 3   ? 4.636  -11.701 -20.240 1.000 88.977  0 2   TYR   AAA CB  1 ? 1  
ATOM   3672 C CG  . TYR   C 1 3   ? 5.684  -12.518 -19.527 1.000 89.424  0 2   TYR   AAA CG  1 ? 1  
ATOM   3673 C CD1 . TYR   C 1 3   ? 6.090  -13.750 -20.014 1.000 95.467  0 2   TYR   AAA CD1 1 ? 1  
ATOM   3674 C CD2 . TYR   C 1 3   ? 6.274  -12.065 -18.356 1.000 84.944  0 2   TYR   AAA CD2 1 ? 1  
ATOM   3675 C CE1 . TYR   C 1 3   ? 7.043  -14.517 -19.356 1.000 94.918  0 2   TYR   AAA CE1 1 ? 1  
ATOM   3676 C CE2 . TYR   C 1 3   ? 7.233  -12.813 -17.688 1.000 84.257  0 2   TYR   AAA CE2 1 ? 1  
ATOM   3677 C CZ  . TYR   C 1 3   ? 7.625  -14.041 -18.193 1.000 88.983  0 2   TYR   AAA CZ  1 ? 1  
ATOM   3678 O OH  . TYR   C 1 3   ? 8.581  -14.776 -17.548 1.000 90.279  0 2   TYR   AAA OH  1 ? 1  
ATOM   3679 N N   . ASP   C 1 4   ? 1.493  -10.751 -21.070 1.000 93.408  0 3   ASP   AAA N   1 ? 1  
ATOM   3680 C CA  . ASP   C 1 4   ? 0.551  -9.647  -21.406 1.000 94.513  0 3   ASP   AAA CA  1 ? 1  
ATOM   3681 C C   . ASP   C 1 4   ? -0.702 -9.733  -20.524 1.000 92.268  0 3   ASP   AAA C   1 ? 1  
ATOM   3682 O O   . ASP   C 1 4   ? -1.229 -8.669  -20.159 1.000 92.981  0 3   ASP   AAA O   1 ? 1  
ATOM   3683 C CB  . ASP   C 1 4   ? 0.210  -9.649  -22.897 1.000 102.816 0 3   ASP   AAA CB  1 ? 1  
ATOM   3684 C CG  . ASP   C 1 4   ? 1.424  -9.425  -23.780 1.000 105.891 0 3   ASP   AAA CG  1 ? 1  
ATOM   3685 O OD1 . ASP   C 1 4   ? 1.952  -8.294  -23.771 1.000 104.348 0 3   ASP   AAA OD1 1 ? 1  
ATOM   3686 O OD2 . ASP   C 1 4   ? 1.846  -10.391 -24.443 1.000 112.438 0 3   ASP   AAA OD2 1 ? 1  
ATOM   3687 N N   . ARG   C 1 5   ? -1.160 -10.944 -20.191 1.000 92.253  0 4   ARG   AAA N   1 ? 1  
ATOM   3688 C CA  . ARG   C 1 5   ? -2.338 -11.173 -19.307 1.000 91.589  0 4   ARG   AAA CA  1 ? 1  
ATOM   3689 C C   . ARG   C 1 5   ? -1.979 -10.870 -17.844 1.000 83.105  0 4   ARG   AAA C   1 ? 1  
ATOM   3690 O O   . ARG   C 1 5   ? -2.913 -10.643 -17.056 1.000 86.232  0 4   ARG   AAA O   1 ? 1  
ATOM   3691 C CB  . ARG   C 1 5   ? -2.858 -12.610 -19.442 1.000 97.898  0 4   ARG   AAA CB  1 ? 1  
ATOM   3692 C CG  . ARG   C 1 5   ? -3.511 -12.898 -20.787 1.000 108.026 0 4   ARG   AAA CG  1 ? 1  
ATOM   3693 C CD  . ARG   C 1 5   ? -4.245 -14.224 -20.856 1.000 116.336 0 4   ARG   AAA CD  1 ? 1  
ATOM   3694 N NE  . ARG   C 1 5   ? -3.358 -15.383 -20.894 1.000 117.876 0 4   ARG   AAA NE  1 ? 1  
ATOM   3695 C CZ  . ARG   C 1 5   ? -3.007 -16.125 -19.842 1.000 114.653 0 4   ARG   AAA CZ  1 ? 1  
ATOM   3696 N NH1 . ARG   C 1 5   ? -3.430 -15.831 -18.620 1.000 109.803 0 4   ARG   AAA NH1 1 ? 1  
ATOM   3697 N NH2 . ARG   C 1 5   ? -2.206 -17.161 -20.020 1.000 116.878 0 4   ARG   AAA NH2 1 ? 1  
ATOM   3698 N N   . TRP   C 1 6   ? -0.688 -10.875 -17.490 1.000 74.375  0 5   TRP   AAA N   1 ? 1  
ATOM   3699 C CA  . TRP   C 1 6   ? -0.206 -10.833 -16.085 1.000 66.662  0 5   TRP   AAA CA  1 ? 1  
ATOM   3700 C C   . TRP   C 1 6   ? 0.364  -9.468  -15.713 1.000 63.110  0 5   TRP   AAA C   1 ? 1  
ATOM   3701 O O   . TRP   C 1 6   ? 0.296  -9.147  -14.534 1.000 60.884  0 5   TRP   AAA O   1 ? 1  
ATOM   3702 C CB  . TRP   C 1 6   ? 0.804  -11.963 -15.836 1.000 63.254  0 5   TRP   AAA CB  1 ? 1  
ATOM   3703 C CG  . TRP   C 1 6   ? 0.131  -13.233 -15.455 1.000 63.002  0 5   TRP   AAA CG  1 ? 1  
ATOM   3704 C CD1 . TRP   C 1 6   ? -0.286 -14.223 -16.291 1.000 68.159  0 5   TRP   AAA CD1 1 ? 1  
ATOM   3705 C CD2 . TRP   C 1 6   ? -0.288 -13.609 -14.132 1.000 60.257  0 5   TRP   AAA CD2 1 ? 1  
ATOM   3706 N NE1 . TRP   C 1 6   ? -0.919 -15.203 -15.576 1.000 69.666  0 5   TRP   AAA NE1 1 ? 1  
ATOM   3707 C CE2 . TRP   C 1 6   ? -0.912 -14.868 -14.245 1.000 64.554  0 5   TRP   AAA CE2 1 ? 1  
ATOM   3708 C CE3 . TRP   C 1 6   ? -0.167 -13.027 -12.869 1.000 55.948  0 5   TRP   AAA CE3 1 ? 1  
ATOM   3709 C CZ2 . TRP   C 1 6   ? -1.419 -15.550 -13.144 1.000 64.567  0 5   TRP   AAA CZ2 1 ? 1  
ATOM   3710 C CZ3 . TRP   C 1 6   ? -0.661 -13.706 -11.779 1.000 56.801  0 5   TRP   AAA CZ3 1 ? 1  
ATOM   3711 C CH2 . TRP   C 1 6   ? -1.287 -14.946 -11.915 1.000 60.863  0 5   TRP   AAA CH2 1 ? 1  
ATOM   3712 N N   . PHE   C 1 7   ? 0.914  -8.712  -16.664 1.000 65.729  0 6   PHE   AAA N   1 ? 1  
ATOM   3713 C CA  . PHE   C 1 7   ? 1.554  -7.394  -16.420 1.000 65.105  0 6   PHE   AAA CA  1 ? 1  
ATOM   3714 C C   . PHE   C 1 7   ? 0.966  -6.340  -17.362 1.000 69.814  0 6   PHE   AAA C   1 ? 1  
ATOM   3715 O O   . PHE   C 1 7   ? 0.569  -6.721  -18.479 1.000 73.699  0 6   PHE   AAA O   1 ? 1  
ATOM   3716 C CB  . PHE   C 1 7   ? 3.066  -7.499  -16.628 1.000 63.867  0 6   PHE   AAA CB  1 ? 1  
ATOM   3717 C CG  . PHE   C 1 7   ? 3.793  -8.413  -15.678 1.000 61.310  0 6   PHE   AAA CG  1 ? 1  
ATOM   3718 C CD1 . PHE   C 1 7   ? 3.932  -9.760  -15.968 1.000 62.158  0 6   PHE   AAA CD1 1 ? 1  
ATOM   3719 C CD2 . PHE   C 1 7   ? 4.370  -7.921  -14.516 1.000 58.180  0 6   PHE   AAA CD2 1 ? 1  
ATOM   3720 C CE1 . PHE   C 1 7   ? 4.615  -10.598 -15.103 1.000 60.227  0 6   PHE   AAA CE1 1 ? 1  
ATOM   3721 C CE2 . PHE   C 1 7   ? 5.057  -8.758  -13.659 1.000 56.835  0 6   PHE   AAA CE2 1 ? 1  
ATOM   3722 C CZ  . PHE   C 1 7   ? 5.174  -10.095 -13.948 1.000 57.517  0 6   PHE   AAA CZ  1 ? 1  
ATOM   3723 N N   . SER   C 1 8   ? 0.934  -5.076  -16.923 1.000 71.022  0 7   SER   AAA N   1 ? 1  
ATOM   3724 C CA  . SER   C 1 8   ? 0.586  -3.898  -17.760 1.000 77.310  0 7   SER   AAA CA  1 ? 1  
ATOM   3725 C C   . SER   C 1 8   ? 1.754  -3.600  -18.701 1.000 80.568  0 7   SER   AAA C   1 ? 1  
ATOM   3726 O O   . SER   C 1 8   ? 2.867  -4.085  -18.419 1.000 82.499  0 7   SER   AAA O   1 ? 1  
ATOM   3727 C CB  . SER   C 1 8   ? 0.254  -2.691  -16.912 1.000 77.860  0 7   SER   AAA CB  1 ? 1  
ATOM   3728 O OG  . SER   C 1 8   ? 1.401  -2.212  -16.223 1.000 76.271  0 7   SER   AAA OG  1 ? 1  
ATOM   3729 N N   . GLN   C 1 9   ? 1.513  -2.829  -19.763 1.000 86.504  0 8   GLN   AAA N   1 ? 1  
ATOM   3730 C CA  . GLN   C 1 9   ? 2.554  -2.436  -20.754 1.000 90.355  0 8   GLN   AAA CA  1 ? 1  
ATOM   3731 C C   . GLN   C 1 9   ? 3.661  -1.647  -20.043 1.000 88.883  0 8   GLN   AAA C   1 ? 1  
ATOM   3732 O O   . GLN   C 1 9   ? 4.837  -1.897  -20.347 1.000 89.895  0 8   GLN   AAA O   1 ? 1  
ATOM   3733 C CB  . GLN   C 1 9   ? 1.927  -1.645  -21.904 1.000 96.749  0 8   GLN   AAA CB  1 ? 1  
ATOM   3734 C CG  . GLN   C 1 9   ? 1.160  -2.523  -22.883 1.000 102.716 0 8   GLN   AAA CG  1 ? 1  
ATOM   3735 C CD  . GLN   C 1 9   ? 0.035  -1.790  -23.577 1.000 108.851 0 8   GLN   AAA CD  1 ? 1  
ATOM   3736 O OE1 . GLN   C 1 9   ? -1.120 -2.203  -23.512 1.000 112.921 0 8   GLN   AAA OE1 1 ? 1  
ATOM   3737 N NE2 . GLN   C 1 9   ? 0.359  -0.689  -24.240 1.000 110.876 0 8   GLN   AAA NE2 1 ? 1  
ATOM   3738 N N   . GLN   C 1 10  ? 3.295  -0.761  -19.110 1.000 87.913  0 9   GLN   AAA N   1 ? 1  
ATOM   3739 C CA  . GLN   C 1 10  ? 4.245  0.059   -18.310 1.000 88.101  0 9   GLN   AAA CA  1 ? 1  
ATOM   3740 C C   . GLN   C 1 10  ? 5.176  -0.854  -17.499 1.000 85.360  0 9   GLN   AAA C   1 ? 1  
ATOM   3741 O O   . GLN   C 1 10  ? 6.381  -0.538  -17.401 1.000 86.997  0 9   GLN   AAA O   1 ? 1  
ATOM   3742 C CB  . GLN   C 1 10  ? 3.481  1.015   -17.388 1.000 91.153  0 9   GLN   AAA CB  1 ? 1  
ATOM   3743 C CG  . GLN   C 1 10  ? 4.375  2.016   -16.662 1.000 95.377  0 9   GLN   AAA CG  1 ? 1  
ATOM   3744 C CD  . GLN   C 1 10  ? 3.675  3.321   -16.358 1.000 101.665 0 9   GLN   AAA CD  1 ? 1  
ATOM   3745 O OE1 . GLN   C 1 10  ? 4.038  4.380   -16.874 1.000 105.816 0 9   GLN   AAA OE1 1 ? 1  
ATOM   3746 N NE2 . GLN   C 1 10  ? 2.638  3.246   -15.538 1.000 102.756 0 9   GLN   AAA NE2 1 ? 1  
ATOM   3747 N N   . GLU   C 1 11  ? 4.636  -1.941  -16.936 1.000 79.278  0 10  GLU   AAA N   1 ? 1  
ATOM   3748 C CA  . GLU   C 1 11  ? 5.404  -2.922  -16.129 1.000 76.065  0 10  GLU   AAA CA  1 ? 1  
ATOM   3749 C C   . GLU   C 1 11  ? 6.313  -3.756  -17.038 1.000 75.926  0 10  GLU   AAA C   1 ? 1  
ATOM   3750 O O   . GLU   C 1 11  ? 7.440  -4.052  -16.617 1.000 77.037  0 10  GLU   AAA O   1 ? 1  
ATOM   3751 C CB  . GLU   C 1 11  ? 4.459  -3.835  -15.350 1.000 73.050  0 10  GLU   AAA CB  1 ? 1  
ATOM   3752 C CG  . GLU   C 1 11  ? 3.809  -3.155  -14.164 1.000 72.458  0 10  GLU   AAA CG  1 ? 1  
ATOM   3753 C CD  . GLU   C 1 11  ? 2.762  -3.990  -13.461 1.000 70.202  0 10  GLU   AAA CD  1 ? 1  
ATOM   3754 O OE1 . GLU   C 1 11  ? 2.174  -4.891  -14.108 1.000 68.906  0 10  GLU   AAA OE1 1 ? 1  
ATOM   3755 O OE2 . GLU   C 1 11  ? 2.555  -3.749  -12.261 1.000 69.993  0 10  GLU   AAA OE2 1 ? 1  
ATOM   3756 N N   . LEU   C 1 12  ? 5.834  -4.137  -18.223 1.000 77.251  0 11  LEU   AAA N   1 ? 1  
ATOM   3757 C CA  . LEU   C 1 12  ? 6.586  -4.980  -19.192 1.000 81.297  0 11  LEU   AAA CA  1 ? 1  
ATOM   3758 C C   . LEU   C 1 12  ? 7.820  -4.223  -19.711 1.000 85.778  0 11  LEU   AAA C   1 ? 1  
ATOM   3759 O O   . LEU   C 1 12  ? 8.769  -4.895  -20.159 1.000 90.444  0 11  LEU   AAA O   1 ? 1  
ATOM   3760 C CB  . LEU   C 1 12  ? 5.662  -5.397  -20.342 1.000 83.923  0 11  LEU   AAA CB  1 ? 1  
ATOM   3761 C CG  . LEU   C 1 12  ? 4.671  -6.515  -20.010 1.000 83.330  0 11  LEU   AAA CG  1 ? 1  
ATOM   3762 C CD1 . LEU   C 1 12  ? 3.716  -6.770  -21.168 1.000 87.927  0 11  LEU   AAA CD1 1 ? 1  
ATOM   3763 C CD2 . LEU   C 1 12  ? 5.392  -7.798  -19.634 1.000 83.118  0 11  LEU   AAA CD2 1 ? 1  
ATOM   3764 N N   . GLN   C 1 13  ? 7.807  -2.887  -19.663 1.000 87.407  0 12  GLN   AAA N   1 ? 1  
ATOM   3765 C CA  . GLN   C 1 13  ? 8.960  -2.024  -20.050 1.000 92.197  0 12  GLN   AAA CA  1 ? 1  
ATOM   3766 C C   . GLN   C 1 13  ? 10.070 -2.112  -18.991 1.000 91.181  0 12  GLN   AAA C   1 ? 1  
ATOM   3767 O O   . GLN   C 1 13  ? 11.242 -1.977  -19.373 1.000 94.327  0 12  GLN   AAA O   1 ? 1  
ATOM   3768 C CB  . GLN   C 1 13  ? 8.523  -0.565  -20.232 1.000 94.681  0 12  GLN   AAA CB  1 ? 1  
ATOM   3769 C CG  . GLN   C 1 13  ? 7.724  -0.297  -21.498 1.000 97.558  0 12  GLN   AAA CG  1 ? 1  
ATOM   3770 C CD  . GLN   C 1 13  ? 8.299  -0.971  -22.721 1.000 102.812 0 12  GLN   AAA CD  1 ? 1  
ATOM   3771 O OE1 . GLN   C 1 13  ? 9.258  -0.498  -23.337 1.000 107.884 0 12  GLN   AAA OE1 1 ? 1  
ATOM   3772 N NE2 . GLN   C 1 13  ? 7.703  -2.095  -23.089 1.000 102.069 0 12  GLN   AAA NE2 1 ? 1  
ATOM   3773 N N   . VAL   C 1 14  ? 9.710  -2.324  -17.721 1.000 86.453  0 13  VAL   AAA N   1 ? 1  
ATOM   3774 C CA  . VAL   C 1 14  ? 10.634 -2.271  -16.547 1.000 87.278  0 13  VAL   AAA CA  1 ? 1  
ATOM   3775 C C   . VAL   C 1 14  ? 11.081 -3.693  -16.166 1.000 84.210  0 13  VAL   AAA C   1 ? 1  
ATOM   3776 O O   . VAL   C 1 14  ? 12.161 -3.826  -15.561 1.000 85.621  0 13  VAL   AAA O   1 ? 1  
ATOM   3777 C CB  . VAL   C 1 14  ? 9.965  -1.560  -15.352 1.000 87.543  0 13  VAL   AAA CB  1 ? 1  
ATOM   3778 C CG1 . VAL   C 1 14  ? 10.891 -1.465  -14.148 1.000 90.389  0 13  VAL   AAA CG1 1 ? 1  
ATOM   3779 C CG2 . VAL   C 1 14  ? 9.455  -0.180  -15.735 1.000 91.744  0 13  VAL   AAA CG2 1 ? 1  
ATOM   3780 N N   . LEU   C 1 15  ? 10.286 -4.713  -16.503 1.000 70.106  0 14  LEU   AAA N   1 ? 2  
ATOM   3781 C CA  . LEU   C 1 15  ? 10.505 -6.112  -16.049 1.000 66.873  0 14  LEU   AAA CA  1 ? 2  
ATOM   3782 C C   . LEU   C 1 15  ? 11.551 -6.769  -16.942 1.000 64.802  0 14  LEU   AAA C   1 ? 2  
ATOM   3783 O O   . LEU   C 1 15  ? 11.245 -7.116  -18.077 1.000 64.968  0 14  LEU   AAA O   1 ? 2  
ATOM   3784 C CB  . LEU   C 1 15  ? 9.176  -6.872  -16.108 1.000 69.335  0 14  LEU   AAA CB  1 ? 2  
ATOM   3785 C CG  . LEU   C 1 15  ? 9.238  -8.355  -15.746 1.000 68.536  0 14  LEU   AAA CG  1 ? 2  
ATOM   3786 C CD1 . LEU   C 1 15  ? 9.597  -8.560  -14.283 1.000 67.979  0 14  LEU   AAA CD1 1 ? 2  
ATOM   3787 C CD2 . LEU   C 1 15  ? 7.929  -9.037  -16.083 1.000 72.934  0 14  LEU   AAA CD2 1 ? 2  
ATOM   3788 N N   . PRO   C 1 16  ? 12.791 -7.017  -16.453 1.000 64.362  0 15  PRO   AAA N   1 ? 2  
ATOM   3789 C CA  . PRO   C 1 16  ? 13.810 -7.695  -17.253 1.000 64.745  0 15  PRO   AAA CA  1 ? 2  
ATOM   3790 C C   . PRO   C 1 16  ? 13.347 -9.032  -17.856 1.000 66.366  0 15  PRO   AAA C   1 ? 2  
ATOM   3791 O O   . PRO   C 1 16  ? 13.770 -9.337  -18.949 1.000 68.471  0 15  PRO   AAA O   1 ? 2  
ATOM   3792 C CB  . PRO   C 1 16  ? 14.959 -7.907  -16.251 1.000 64.984  0 15  PRO   AAA CB  1 ? 2  
ATOM   3793 C CG  . PRO   C 1 16  ? 14.797 -6.765  -15.279 1.000 64.197  0 15  PRO   AAA CG  1 ? 2  
ATOM   3794 C CD  . PRO   C 1 16  ? 13.295 -6.647  -15.119 1.000 64.269  0 15  PRO   AAA CD  1 ? 2  
ATOM   3795 N N   . PHE   C 1 17  ? 12.493 -9.789  -17.163 1.000 66.197  0 16  PHE   AAA N   1 ? 2  
ATOM   3796 C CA  . PHE   C 1 17  ? 12.025 -11.123 -17.630 1.000 69.801  0 16  PHE   AAA CA  1 ? 2  
ATOM   3797 C C   . PHE   C 1 17  ? 11.209 -11.006 -18.923 1.000 75.198  0 16  PHE   AAA C   1 ? 2  
ATOM   3798 O O   . PHE   C 1 17  ? 11.096 -12.025 -19.623 1.000 78.843  0 16  PHE   AAA O   1 ? 2  
ATOM   3799 C CB  . PHE   C 1 17  ? 11.232 -11.852 -16.546 1.000 69.696  0 16  PHE   AAA CB  1 ? 2  
ATOM   3800 C CG  . PHE   C 1 17  ? 12.068 -12.703 -15.620 1.000 68.750  0 16  PHE   AAA CG  1 ? 2  
ATOM   3801 C CD1 . PHE   C 1 17  ? 12.945 -13.660 -16.111 1.000 69.271  0 16  PHE   AAA CD1 1 ? 2  
ATOM   3802 C CD2 . PHE   C 1 17  ? 11.976 -12.544 -14.247 1.000 67.977  0 16  PHE   AAA CD2 1 ? 2  
ATOM   3803 C CE1 . PHE   C 1 17  ? 13.711 -14.434 -15.250 1.000 69.493  0 16  PHE   AAA CE1 1 ? 2  
ATOM   3804 C CE2 . PHE   C 1 17  ? 12.714 -13.337 -13.387 1.000 68.561  0 16  PHE   AAA CE2 1 ? 2  
ATOM   3805 C CZ  . PHE   C 1 17  ? 13.576 -14.280 -13.892 1.000 69.728  0 16  PHE   AAA CZ  1 ? 2  
ATOM   3806 N N   . ALA   C 1 18  ? 10.675 -9.820  -19.230 1.000 80.674  0 17  ALA   AAA N   1 ? 2  
ATOM   3807 C CA  . ALA   C 1 18  ? 9.870  -9.527  -20.442 1.000 85.556  0 17  ALA   AAA CA  1 ? 2  
ATOM   3808 C C   . ALA   C 1 18  ? 10.766 -9.545  -21.687 1.000 88.174  0 17  ALA   AAA C   1 ? 2  
ATOM   3809 O O   . ALA   C 1 18  ? 10.363 -10.156 -22.695 1.000 94.318  0 17  ALA   AAA O   1 ? 2  
ATOM   3810 C CB  . ALA   C 1 18  ? 9.176  -8.197  -20.285 1.000 86.942  0 17  ALA   AAA CB  1 ? 2  
ATOM   3811 N N   . GLU   C 1 19  ? 11.930 -8.890  -21.628 1.000 88.267  0 18  GLU   AAA N   1 ? 2  
ATOM   3812 C CA  . GLU   C 1 19  ? 12.948 -8.903  -22.721 1.000 91.944  0 18  GLU   AAA CA  1 ? 2  
ATOM   3813 C C   . GLU   C 1 19  ? 13.603 -10.289 -22.769 1.000 90.663  0 18  GLU   AAA C   1 ? 2  
ATOM   3814 O O   . GLU   C 1 19  ? 13.884 -10.813 -21.703 1.000 88.568  0 18  GLU   AAA O   1 ? 2  
ATOM   3815 C CB  . GLU   C 1 19  ? 14.014 -7.818  -22.496 1.000 93.085  0 18  GLU   AAA CB  1 ? 2  
ATOM   3816 C CG  . GLU   C 1 19  ? 15.102 -8.205  -21.498 1.000 92.322  0 18  GLU   AAA CG  1 ? 2  
ATOM   3817 C CD  . GLU   C 1 19  ? 15.582 -7.138  -20.522 1.000 91.732  0 18  GLU   AAA CD  1 ? 2  
ATOM   3818 O OE1 . GLU   C 1 19  ? 15.112 -5.981  -20.602 1.000 92.036  0 18  GLU   AAA OE1 1 ? 2  
ATOM   3819 O OE2 . GLU   C 1 19  ? 16.416 -7.482  -19.665 1.000 90.884  0 18  GLU   AAA OE2 1 ? 2  
ATOM   3820 N N   . GLN   C 1 20  ? 13.851 -10.849 -23.955 1.000 93.432  0 19  GLN   AAA N   1 ? 2  
ATOM   3821 C CA  . GLN   C 1 20  ? 14.672 -12.079 -24.095 1.000 93.480  0 19  GLN   AAA CA  1 ? 2  
ATOM   3822 C C   . GLN   C 1 20  ? 16.133 -11.735 -23.764 1.000 91.228  0 19  GLN   AAA C   1 ? 2  
ATOM   3823 O O   . GLN   C 1 20  ? 16.596 -10.610 -24.072 1.000 89.884  0 19  GLN   AAA O   1 ? 2  
ATOM   3824 C CB  . GLN   C 1 20  ? 14.496 -12.720 -25.471 1.000 99.308  0 19  GLN   AAA CB  1 ? 2  
ATOM   3825 C CG  . GLN   C 1 20  ? 13.367 -13.742 -25.491 1.000 102.362 0 19  GLN   AAA CG  1 ? 2  
ATOM   3826 C CD  . GLN   C 1 20  ? 13.731 -14.989 -24.720 1.000 101.470 0 19  GLN   AAA CD  1 ? 2  
ATOM   3827 O OE1 . GLN   C 1 20  ? 13.188 -15.262 -23.650 1.000 98.528  0 19  GLN   AAA OE1 1 ? 2  
ATOM   3828 N NE2 . GLN   C 1 20  ? 14.667 -15.758 -25.258 1.000 102.755 0 19  GLN   AAA NE2 1 ? 2  
ATOM   3829 N N   . ASP   C 1 21  ? 16.804 -12.677 -23.104 1.000 71.645  0 20  ASP   AAA N   1 ? 3  
ATOM   3830 C CA  . ASP   C 1 21  ? 18.224 -12.576 -22.688 1.000 70.536  0 20  ASP   AAA CA  1 ? 3  
ATOM   3831 C C   . ASP   C 1 21  ? 18.732 -14.011 -22.546 1.000 68.676  0 20  ASP   AAA C   1 ? 3  
ATOM   3832 O O   . ASP   C 1 21  ? 18.352 -14.688 -21.587 1.000 66.917  0 20  ASP   AAA O   1 ? 3  
ATOM   3833 C CB  . ASP   C 1 21  ? 18.349 -11.741 -21.418 1.000 69.587  0 20  ASP   AAA CB  1 ? 3  
ATOM   3834 C CG  . ASP   C 1 21  ? 19.772 -11.470 -20.951 1.000 70.381  0 20  ASP   AAA CG  1 ? 3  
ATOM   3835 O OD1 . ASP   C 1 21  ? 20.690 -12.225 -21.330 1.000 71.531  0 20  ASP   AAA OD1 1 ? 3  
ATOM   3836 O OD2 . ASP   C 1 21  ? 19.938 -10.551 -20.144 1.000 71.141  0 20  ASP   AAA OD2 1 ? 3  
ATOM   3837 N N   . GLU   C 1 22  ? 19.519 -14.468 -23.513 1.000 70.829  0 21  GLU   AAA N   1 ? 3  
ATOM   3838 C CA  . GLU   C 1 22  ? 19.930 -15.893 -23.617 1.000 71.152  0 21  GLU   AAA CA  1 ? 3  
ATOM   3839 C C   . GLU   C 1 22  ? 20.917 -16.222 -22.489 1.000 66.693  0 21  GLU   AAA C   1 ? 3  
ATOM   3840 O O   . GLU   C 1 22  ? 20.891 -17.361 -22.019 1.000 64.014  0 21  GLU   AAA O   1 ? 3  
ATOM   3841 C CB  . GLU   C 1 22  ? 20.455 -16.167 -25.024 1.000 77.348  0 21  GLU   AAA CB  1 ? 3  
ATOM   3842 C CG  . GLU   C 1 22  ? 19.341 -16.225 -26.058 1.000 82.329  0 21  GLU   AAA CG  1 ? 3  
ATOM   3843 C CD  . GLU   C 1 22  ? 18.521 -17.508 -26.047 1.000 86.051  0 21  GLU   AAA CD  1 ? 3  
ATOM   3844 O OE1 . GLU   C 1 22  ? 18.415 -18.157 -24.973 1.000 85.964  0 21  GLU   AAA OE1 1 ? 3  
ATOM   3845 O OE2 . GLU   C 1 22  ? 17.999 -17.877 -27.127 1.000 92.586  0 21  GLU   AAA OE2 1 ? 3  
ATOM   3846 N N   . GLN   C 1 23  ? 21.736 -15.262 -22.060 1.000 65.683  0 22  GLN   AAA N   1 ? 3  
ATOM   3847 C CA  . GLN   C 1 23  ? 22.695 -15.410 -20.934 1.000 68.020  0 22  GLN   AAA CA  1 ? 3  
ATOM   3848 C C   . GLN   C 1 23  ? 21.909 -15.711 -19.648 1.000 66.033  0 22  GLN   AAA C   1 ? 3  
ATOM   3849 O O   . GLN   C 1 23  ? 22.234 -16.702 -18.936 1.000 65.268  0 22  GLN   AAA O   1 ? 3  
ATOM   3850 C CB  . GLN   C 1 23  ? 23.529 -14.137 -20.825 1.000 71.896  0 22  GLN   AAA CB  1 ? 3  
ATOM   3851 C CG  . GLN   C 1 23  ? 24.764 -14.257 -19.949 1.000 76.595  0 22  GLN   AAA CG  1 ? 3  
ATOM   3852 C CD  . GLN   C 1 23  ? 25.742 -13.141 -20.259 1.000 80.605  0 22  GLN   AAA CD  1 ? 3  
ATOM   3853 O OE1 . GLN   C 1 23  ? 25.397 -11.958 -20.247 1.000 86.606  0 22  GLN   AAA OE1 1 ? 3  
ATOM   3854 N NE2 . GLN   C 1 23  ? 26.985 -13.496 -20.544 1.000 82.156  0 22  GLN   AAA NE2 1 ? 3  
ATOM   3855 N N   . ARG   C 1 24  ? 20.883 -14.907 -19.364 1.000 64.071  0 23  ARG   AAA N   1 ? 3  
ATOM   3856 C CA  . ARG   C 1 24  ? 19.987 -15.078 -18.190 1.000 59.018  0 23  ARG   AAA CA  1 ? 3  
ATOM   3857 C C   . ARG   C 1 24  ? 19.307 -16.453 -18.244 1.000 54.527  0 23  ARG   AAA C   1 ? 3  
ATOM   3858 O O   . ARG   C 1 24  ? 19.187 -17.073 -17.191 1.000 54.264  0 23  ARG   AAA O   1 ? 3  
ATOM   3859 C CB  . ARG   C 1 24  ? 18.961 -13.939 -18.135 1.000 61.260  0 23  ARG   AAA CB  1 ? 3  
ATOM   3860 C CG  . ARG   C 1 24  ? 17.899 -14.124 -17.069 1.000 62.459  0 23  ARG   AAA CG  1 ? 3  
ATOM   3861 C CD  . ARG   C 1 24  ? 17.076 -12.891 -16.899 1.000 64.762  0 23  ARG   AAA CD  1 ? 3  
ATOM   3862 N NE  . ARG   C 1 24  ? 16.200 -12.789 -18.038 1.000 67.759  0 23  ARG   AAA NE  1 ? 3  
ATOM   3863 C CZ  . ARG   C 1 24  ? 15.904 -11.661 -18.660 1.000 68.903  0 23  ARG   AAA CZ  1 ? 3  
ATOM   3864 N NH1 . ARG   C 1 24  ? 16.437 -10.510 -18.272 1.000 68.736  0 23  ARG   AAA NH1 1 ? 3  
ATOM   3865 N NH2 . ARG   C 1 24  ? 15.061 -11.694 -19.678 1.000 69.021  0 23  ARG   AAA NH2 1 ? 3  
ATOM   3866 N N   . ASN   C 1 25  ? 18.866 -16.914 -19.413 1.000 53.085  0 24  ASN   AAA N   1 ? 3  
ATOM   3867 C CA  . ASN   C 1 25  ? 18.175 -18.226 -19.563 1.000 55.109  0 24  ASN   AAA CA  1 ? 3  
ATOM   3868 C C   . ASN   C 1 25  ? 19.155 -19.357 -19.236 1.000 56.087  0 24  ASN   AAA C   1 ? 3  
ATOM   3869 O O   . ASN   C 1 25  ? 18.731 -20.347 -18.645 1.000 56.023  0 24  ASN   AAA O   1 ? 3  
ATOM   3870 C CB  . ASN   C 1 25  ? 17.588 -18.412 -20.964 1.000 56.928  0 24  ASN   AAA CB  1 ? 3  
ATOM   3871 C CG  . ASN   C 1 25  ? 16.449 -17.460 -21.262 1.000 57.786  0 24  ASN   AAA CG  1 ? 3  
ATOM   3872 O OD1 . ASN   C 1 25  ? 15.929 -16.796 -20.370 1.000 59.507  0 24  ASN   AAA OD1 1 ? 3  
ATOM   3873 N ND2 . ASN   C 1 25  ? 16.067 -17.375 -22.521 1.000 58.979  0 24  ASN   AAA ND2 1 ? 3  
ATOM   3874 N N   . GLN   C 1 26  ? 20.425 -19.214 -19.615 1.000 56.769  0 25  GLN   AAA N   1 ? 3  
ATOM   3875 C CA  . GLN   C 1 26  ? 21.480 -20.232 -19.371 1.000 58.126  0 25  GLN   AAA CA  1 ? 3  
ATOM   3876 C C   . GLN   C 1 26  ? 21.727 -20.307 -17.856 1.000 54.237  0 25  GLN   AAA C   1 ? 3  
ATOM   3877 O O   . GLN   C 1 26  ? 21.797 -21.428 -17.319 1.000 52.273  0 25  GLN   AAA O   1 ? 3  
ATOM   3878 C CB  . GLN   C 1 26  ? 22.699 -19.892 -20.228 1.000 62.463  0 25  GLN   AAA CB  1 ? 3  
ATOM   3879 C CG  . GLN   C 1 26  ? 23.600 -21.077 -20.520 1.000 66.763  0 25  GLN   AAA CG  1 ? 3  
ATOM   3880 C CD  . GLN   C 1 26  ? 24.503 -21.337 -19.343 1.000 69.718  0 25  GLN   AAA CD  1 ? 3  
ATOM   3881 O OE1 . GLN   C 1 26  ? 24.832 -20.417 -18.594 1.000 68.806  0 25  GLN   AAA OE1 1 ? 3  
ATOM   3882 N NE2 . GLN   C 1 26  ? 24.911 -22.589 -19.178 1.000 70.553  0 25  GLN   AAA NE2 1 ? 3  
ATOM   3883 N N   . THR   C 1 27  ? 21.797 -19.158 -17.181 1.000 52.366  0 26  THR   AAA N   1 ? 3  
ATOM   3884 C CA  . THR   C 1 27  ? 21.943 -19.072 -15.707 1.000 50.851  0 26  THR   AAA CA  1 ? 3  
ATOM   3885 C C   . THR   C 1 27  ? 20.771 -19.812 -15.030 1.000 50.603  0 26  THR   AAA C   1 ? 3  
ATOM   3886 O O   . THR   C 1 27  ? 21.036 -20.603 -14.097 1.000 49.211  0 26  THR   AAA O   1 ? 3  
ATOM   3887 C CB  . THR   C 1 27  ? 22.104 -17.614 -15.271 1.000 51.189  0 26  THR   AAA CB  1 ? 3  
ATOM   3888 O OG1 . THR   C 1 27  ? 23.312 -17.148 -15.864 1.000 52.885  0 26  THR   AAA OG1 1 ? 3  
ATOM   3889 C CG2 . THR   C 1 27  ? 22.189 -17.415 -13.772 1.000 50.189  0 26  THR   AAA CG2 1 ? 3  
ATOM   3890 N N   . TRP   C 1 28  ? 19.529 -19.593 -15.485 1.000 49.593  0 27  TRP   AAA N   1 ? 3  
ATOM   3891 C CA  . TRP   C 1 28  ? 18.318 -20.228 -14.893 1.000 47.478  0 27  TRP   AAA CA  1 ? 3  
ATOM   3892 C C   . TRP   C 1 28  ? 18.303 -21.730 -15.192 1.000 48.413  0 27  TRP   AAA C   1 ? 3  
ATOM   3893 O O   . TRP   C 1 28  ? 17.816 -22.487 -14.350 1.000 49.516  0 27  TRP   AAA O   1 ? 3  
ATOM   3894 C CB  . TRP   C 1 28  ? 17.022 -19.536 -15.350 1.000 47.098  0 27  TRP   AAA CB  1 ? 3  
ATOM   3895 C CG  . TRP   C 1 28  ? 16.720 -18.362 -14.484 1.000 47.441  0 27  TRP   AAA CG  1 ? 3  
ATOM   3896 C CD1 . TRP   C 1 28  ? 16.866 -17.041 -14.786 1.000 48.213  0 27  TRP   AAA CD1 1 ? 3  
ATOM   3897 C CD2 . TRP   C 1 28  ? 16.330 -18.418 -13.104 1.000 46.586  0 27  TRP   AAA CD2 1 ? 3  
ATOM   3898 N NE1 . TRP   C 1 28  ? 16.571 -16.272 -13.694 1.000 49.219  0 27  TRP   AAA NE1 1 ? 3  
ATOM   3899 C CE2 . TRP   C 1 28  ? 16.254 -17.090 -12.643 1.000 48.245  0 27  TRP   AAA CE2 1 ? 3  
ATOM   3900 C CE3 . TRP   C 1 28  ? 16.074 -19.460 -12.209 1.000 46.220  0 27  TRP   AAA CE3 1 ? 3  
ATOM   3901 C CZ2 . TRP   C 1 28  ? 15.897 -16.776 -11.336 1.000 48.792  0 27  TRP   AAA CZ2 1 ? 3  
ATOM   3902 C CZ3 . TRP   C 1 28  ? 15.719 -19.147 -10.923 1.000 45.423  0 27  TRP   AAA CZ3 1 ? 3  
ATOM   3903 C CH2 . TRP   C 1 28  ? 15.641 -17.827 -10.490 1.000 47.723  0 27  TRP   AAA CH2 1 ? 3  
ATOM   3904 N N   . LEU   C 1 29  ? 18.806 -22.149 -16.353 1.000 50.131  0 28  LEU   AAA N   1 ? 3  
ATOM   3905 C CA  . LEU   C 1 29  ? 18.952 -23.587 -16.703 1.000 52.562  0 28  LEU   AAA CA  1 ? 3  
ATOM   3906 C C   . LEU   C 1 29  ? 19.832 -24.270 -15.648 1.000 51.042  0 28  LEU   AAA C   1 ? 3  
ATOM   3907 O O   . LEU   C 1 29  ? 19.471 -25.371 -15.179 1.000 50.992  0 28  LEU   AAA O   1 ? 3  
ATOM   3908 C CB  . LEU   C 1 29  ? 19.549 -23.711 -18.106 1.000 54.942  0 28  LEU   AAA CB  1 ? 3  
ATOM   3909 C CG  . LEU   C 1 29  ? 19.616 -25.131 -18.652 1.000 58.378  0 28  LEU   AAA CG  1 ? 3  
ATOM   3910 C CD1 . LEU   C 1 29  ? 19.398 -25.138 -20.150 1.000 64.009  0 28  LEU   AAA CD1 1 ? 3  
ATOM   3911 C CD2 . LEU   C 1 29  ? 20.955 -25.750 -18.313 1.000 61.468  0 28  LEU   AAA CD2 1 ? 3  
ATOM   3912 N N   . GLU   C 1 30  ? 20.929 -23.622 -15.268 1.000 51.429  0 29  GLU   AAA N   1 ? 3  
ATOM   3913 C CA  . GLU   C 1 30  ? 21.908 -24.161 -14.291 1.000 53.630  0 29  GLU   AAA CA  1 ? 3  
ATOM   3914 C C   . GLU   C 1 30  ? 21.291 -24.148 -12.881 1.000 50.366  0 29  GLU   AAA C   1 ? 3  
ATOM   3915 O O   . GLU   C 1 30  ? 21.387 -25.181 -12.194 1.000 49.048  0 29  GLU   AAA O   1 ? 3  
ATOM   3916 C CB  . GLU   C 1 30  ? 23.217 -23.384 -14.389 1.000 57.129  0 29  GLU   AAA CB  1 ? 3  
ATOM   3917 C CG  . GLU   C 1 30  ? 23.938 -23.682 -15.696 1.000 64.579  0 29  GLU   AAA CG  1 ? 3  
ATOM   3918 C CD  . GLU   C 1 30  ? 25.351 -23.142 -15.793 1.000 72.820  0 29  GLU   AAA CD  1 ? 3  
ATOM   3919 O OE1 . GLU   C 1 30  ? 25.589 -22.073 -15.182 1.000 76.745  0 29  GLU   AAA OE1 1 ? 3  
ATOM   3920 O OE2 . GLU   C 1 30  ? 26.209 -23.790 -16.476 1.000 77.361  0 29  GLU   AAA OE2 1 ? 3  
ATOM   3921 N N   . LEU   C 1 31  ? 20.680 -23.031 -12.475 1.000 46.657  0 30  LEU   AAA N   1 ? 3  
ATOM   3922 C CA  . LEU   C 1 31  ? 20.047 -22.883 -11.138 1.000 46.057  0 30  LEU   AAA CA  1 ? 3  
ATOM   3923 C C   . LEU   C 1 31  ? 19.005 -23.988 -10.949 1.000 45.218  0 30  LEU   AAA C   1 ? 3  
ATOM   3924 O O   . LEU   C 1 31  ? 19.044 -24.673 -9.918  1.000 46.087  0 30  LEU   AAA O   1 ? 3  
ATOM   3925 C CB  . LEU   C 1 31  ? 19.391 -21.503 -11.015 1.000 47.672  0 30  LEU   AAA CB  1 ? 3  
ATOM   3926 C CG  . LEU   C 1 31  ? 20.351 -20.324 -10.912 1.000 47.565  0 30  LEU   AAA CG  1 ? 3  
ATOM   3927 C CD1 . LEU   C 1 31  ? 19.577 -19.003 -11.000 1.000 49.587  0 30  LEU   AAA CD1 1 ? 3  
ATOM   3928 C CD2 . LEU   C 1 31  ? 21.158 -20.411 -9.624  1.000 49.365  0 30  LEU   AAA CD2 1 ? 3  
ATOM   3929 N N   . VAL   C 1 32  ? 18.121 -24.169 -11.925 1.000 44.011  0 31  VAL   AAA N   1 ? 3  
ATOM   3930 C CA  . VAL   C 1 32  ? 17.006 -25.153 -11.855 1.000 46.467  0 31  VAL   AAA CA  1 ? 3  
ATOM   3931 C C   . VAL   C 1 32  ? 17.592 -26.566 -11.860 1.000 47.290  0 31  VAL   AAA C   1 ? 3  
ATOM   3932 O O   . VAL   C 1 32  ? 17.126 -27.393 -11.067 1.000 47.867  0 31  VAL   AAA O   1 ? 3  
ATOM   3933 C CB  . VAL   C 1 32  ? 15.983 -24.920 -12.981 1.000 48.230  0 31  VAL   AAA CB  1 ? 3  
ATOM   3934 C CG1 . VAL   C 1 32  ? 14.998 -26.064 -13.100 1.000 50.710  0 31  VAL   AAA CG1 1 ? 3  
ATOM   3935 C CG2 . VAL   C 1 32  ? 15.249 -23.604 -12.769 1.000 46.794  0 31  VAL   AAA CG2 1 ? 3  
ATOM   3936 N N   . GLY   C 1 33  ? 18.592 -26.827 -12.700 1.000 48.998  0 32  GLY   AAA N   1 ? 3  
ATOM   3937 C CA  . GLY   C 1 33  ? 19.284 -28.129 -12.748 1.000 49.349  0 32  GLY   AAA CA  1 ? 3  
ATOM   3938 C C   . GLY   C 1 33  ? 19.831 -28.519 -11.378 1.000 48.984  0 32  GLY   AAA C   1 ? 3  
ATOM   3939 O O   . GLY   C 1 33  ? 19.638 -29.681 -10.967 1.000 49.633  0 32  GLY   AAA O   1 ? 3  
ATOM   3940 N N   . GLU   C 1 34  ? 20.490 -27.584 -10.691 1.000 47.593  0 33  GLU   AAA N   1 ? 3  
ATOM   3941 C CA  . GLU   C 1 34  ? 21.106 -27.814 -9.364  1.000 49.615  0 33  GLU   AAA CA  1 ? 3  
ATOM   3942 C C   . GLU   C 1 34  ? 20.012 -28.019 -8.306  1.000 47.741  0 33  GLU   AAA C   1 ? 3  
ATOM   3943 O O   . GLU   C 1 34  ? 20.201 -28.864 -7.421  1.000 47.394  0 33  GLU   AAA O   1 ? 3  
ATOM   3944 C CB  . GLU   C 1 34  ? 22.047 -26.670 -9.000  1.000 52.675  0 33  GLU   AAA CB  1 ? 3  
ATOM   3945 C CG  . GLU   C 1 34  ? 23.306 -26.662 -9.848  1.000 61.229  0 33  GLU   AAA CG  1 ? 3  
ATOM   3946 C CD  . GLU   C 1 34  ? 24.283 -25.535 -9.545  1.000 66.142  0 33  GLU   AAA CD  1 ? 3  
ATOM   3947 O OE1 . GLU   C 1 34  ? 24.500 -25.268 -8.341  1.000 70.614  0 33  GLU   AAA OE1 1 ? 3  
ATOM   3948 O OE2 . GLU   C 1 34  ? 24.821 -24.924 -10.504 1.000 69.517  0 33  GLU   AAA OE2 1 ? 3  
ATOM   3949 N N   . ALA   C 1 35  ? 18.915 -27.266 -8.374  1.000 47.819  0 34  ALA   AAA N   1 ? 3  
ATOM   3950 C CA  . ALA   C 1 35  ? 17.750 -27.421 -7.472  1.000 47.448  0 34  ALA   AAA CA  1 ? 3  
ATOM   3951 C C   . ALA   C 1 35  ? 17.188 -28.843 -7.612  1.000 48.665  0 34  ALA   AAA C   1 ? 3  
ATOM   3952 O O   . ALA   C 1 35  ? 16.954 -29.484 -6.569  1.000 46.184  0 34  ALA   AAA O   1 ? 3  
ATOM   3953 C CB  . ALA   C 1 35  ? 16.705 -26.383 -7.784  1.000 46.893  0 34  ALA   AAA CB  1 ? 3  
ATOM   3954 N N   . GLN   C 1 36  ? 16.987 -29.316 -8.849  1.000 51.071  0 35  GLN   AAA N   1 ? 3  
ATOM   3955 C CA  . GLN   C 1 36  ? 16.427 -30.666 -9.147  1.000 55.333  0 35  GLN   AAA CA  1 ? 3  
ATOM   3956 C C   . GLN   C 1 36  ? 17.365 -31.716 -8.558  1.000 53.741  0 35  GLN   AAA C   1 ? 3  
ATOM   3957 O O   . GLN   C 1 36  ? 16.869 -32.676 -7.954  1.000 57.549  0 35  GLN   AAA O   1 ? 3  
ATOM   3958 C CB  . GLN   C 1 36  ? 16.264 -30.906 -10.651 1.000 60.470  0 35  GLN   AAA CB  1 ? 3  
ATOM   3959 C CG  . GLN   C 1 36  ? 15.102 -30.143 -11.272 1.000 64.130  0 35  GLN   AAA CG  1 ? 3  
ATOM   3960 C CD  . GLN   C 1 36  ? 15.096 -30.176 -12.787 1.000 69.318  0 35  GLN   AAA CD  1 ? 3  
ATOM   3961 O OE1 . GLN   C 1 36  ? 16.076 -30.552 -13.434 1.000 70.479  0 35  GLN   AAA OE1 1 ? 3  
ATOM   3962 N NE2 . GLN   C 1 36  ? 13.975 -29.781 -13.373 1.000 70.880  0 35  GLN   AAA NE2 1 ? 3  
ATOM   3963 N N   . GLN   C 1 37  ? 18.670 -31.532 -8.745  1.000 52.594  0 36  GLN   AAA N   1 ? 3  
ATOM   3964 C CA  . GLN   C 1 37  ? 19.731 -32.422 -8.206  1.000 54.540  0 36  GLN   AAA CA  1 ? 3  
ATOM   3965 C C   . GLN   C 1 37  ? 19.526 -32.542 -6.691  1.000 53.482  0 36  GLN   AAA C   1 ? 3  
ATOM   3966 O O   . GLN   C 1 37  ? 19.299 -33.661 -6.211  1.000 53.638  0 36  GLN   AAA O   1 ? 3  
ATOM   3967 C CB  . GLN   C 1 37  ? 21.105 -31.854 -8.547  1.000 54.773  0 36  GLN   AAA CB  1 ? 3  
ATOM   3968 C CG  . GLN   C 1 37  ? 22.275 -32.614 -7.946  1.000 57.630  0 36  GLN   AAA CG  1 ? 3  
ATOM   3969 C CD  . GLN   C 1 37  ? 22.595 -33.868 -8.713  1.000 63.643  0 36  GLN   AAA CD  1 ? 3  
ATOM   3970 O OE1 . GLN   C 1 37  ? 22.485 -33.923 -9.939  1.000 69.388  0 36  GLN   AAA OE1 1 ? 3  
ATOM   3971 N NE2 . GLN   C 1 37  ? 23.028 -34.888 -7.992  1.000 65.441  0 36  GLN   AAA NE2 1 ? 3  
ATOM   3972 N N   . LEU   C 1 38  ? 19.608 -31.424 -5.972  1.000 51.155  0 37  LEU   AAA N   1 ? 3  
ATOM   3973 C CA  . LEU   C 1 38  ? 19.612 -31.401 -4.488  1.000 51.746  0 37  LEU   AAA CA  1 ? 3  
ATOM   3974 C C   . LEU   C 1 38  ? 18.292 -31.978 -3.961  1.000 52.885  0 37  LEU   AAA C   1 ? 3  
ATOM   3975 O O   . LEU   C 1 38  ? 18.346 -32.755 -3.005  1.000 55.075  0 37  LEU   AAA O   1 ? 3  
ATOM   3976 C CB  . LEU   C 1 38  ? 19.830 -29.968 -4.016  1.000 50.437  0 37  LEU   AAA CB  1 ? 3  
ATOM   3977 C CG  . LEU   C 1 38  ? 21.213 -29.378 -4.284  1.000 50.805  0 37  LEU   AAA CG  1 ? 3  
ATOM   3978 C CD1 . LEU   C 1 38  ? 21.332 -28.017 -3.622  1.000 51.784  0 37  LEU   AAA CD1 1 ? 3  
ATOM   3979 C CD2 . LEU   C 1 38  ? 22.336 -30.302 -3.810  1.000 52.279  0 37  LEU   AAA CD2 1 ? 3  
ATOM   3980 N N   . MET   C 1 39  ? 17.164 -31.651 -4.593  1.000 51.883  0 38  MET   AAA N   1 ? 3  
ATOM   3981 C CA  . MET   C 1 39  ? 15.834 -32.190 -4.207  1.000 54.841  0 38  MET   AAA CA  1 ? 3  
ATOM   3982 C C   . MET   C 1 39  ? 15.793 -33.700 -4.467  1.000 57.145  0 38  MET   AAA C   1 ? 3  
ATOM   3983 O O   . MET   C 1 39  ? 15.304 -34.429 -3.584  1.000 58.577  0 38  MET   AAA O   1 ? 3  
ATOM   3984 C CB  . MET   C 1 39  ? 14.705 -31.494 -4.972  1.000 53.389  0 38  MET   AAA CB  1 ? 3  
ATOM   3985 C CG  . MET   C 1 39  ? 14.508 -30.067 -4.534  1.000 54.245  0 38  MET   AAA CG  1 ? 3  
ATOM   3986 S SD  . MET   C 1 39  ? 13.463 -29.153 -5.683  1.000 58.361  0 38  MET   AAA SD  1 ? 3  
ATOM   3987 C CE  . MET   C 1 39  ? 11.871 -29.897 -5.346  1.000 59.901  0 38  MET   AAA CE  1 ? 3  
ATOM   3988 N N   . GLY   C 1 40  ? 16.338 -34.145 -5.605  1.000 59.474  0 39  GLY   AAA N   1 ? 3  
ATOM   3989 C CA  . GLY   C 1 40  ? 16.472 -35.569 -5.976  1.000 59.701  0 39  GLY   AAA CA  1 ? 3  
ATOM   3990 C C   . GLY   C 1 40  ? 17.259 -36.361 -4.943  1.000 59.901  0 39  GLY   AAA C   1 ? 3  
ATOM   3991 O O   . GLY   C 1 40  ? 16.848 -37.496 -4.636  1.000 61.212  0 39  GLY   AAA O   1 ? 3  
ATOM   3992 N N   . GLU   C 1 41  ? 18.333 -35.776 -4.402  1.000 59.947  0 40  GLU   AAA N   1 ? 3  
ATOM   3993 C CA  . GLU   C 1 41  ? 19.158 -36.368 -3.315  1.000 62.799  0 40  GLU   AAA CA  1 ? 3  
ATOM   3994 C C   . GLU   C 1 41  ? 18.442 -36.279 -1.960  1.000 63.593  0 40  GLU   AAA C   1 ? 3  
ATOM   3995 O O   . GLU   C 1 41  ? 19.007 -36.813 -0.988  1.000 63.461  0 40  GLU   AAA O   1 ? 3  
ATOM   3996 C CB  . GLU   C 1 41  ? 20.494 -35.636 -3.171  1.000 61.960  0 40  GLU   AAA CB  1 ? 3  
ATOM   3997 C CG  . GLU   C 1 41  ? 21.402 -35.755 -4.372  1.000 64.259  0 40  GLU   AAA CG  1 ? 3  
ATOM   3998 C CD  . GLU   C 1 41  ? 22.713 -35.012 -4.191  1.000 66.351  0 40  GLU   AAA CD  1 ? 3  
ATOM   3999 O OE1 . GLU   C 1 41  ? 23.095 -34.784 -3.030  1.000 68.421  0 40  GLU   AAA OE1 1 ? 3  
ATOM   4000 O OE2 . GLU   C 1 41  ? 23.354 -34.661 -5.204  1.000 65.909  0 40  GLU   AAA OE2 1 ? 3  
ATOM   4001 N N   . ARG   C 1 42  ? 17.282 -35.609 -1.884  1.000 66.255  0 41  ARG   AAA N   1 ? 3  
ATOM   4002 C CA  . ARG   C 1 42  ? 16.591 -35.272 -0.603  1.000 71.157  0 41  ARG   AAA CA  1 ? 3  
ATOM   4003 C C   . ARG   C 1 42  ? 17.578 -34.539 0.321   1.000 68.750  0 41  ARG   AAA C   1 ? 3  
ATOM   4004 O O   . ARG   C 1 42  ? 17.629 -34.854 1.537   1.000 70.208  0 41  ARG   AAA O   1 ? 3  
ATOM   4005 C CB  . ARG   C 1 42  ? 16.044 -36.533 0.075   1.000 75.852  0 41  ARG   AAA CB  1 ? 3  
ATOM   4006 C CG  . ARG   C 1 42  ? 15.237 -37.441 -0.836  1.000 81.047  0 41  ARG   AAA CG  1 ? 3  
ATOM   4007 C CD  . ARG   C 1 42  ? 14.711 -38.618 -0.041  1.000 90.830  0 41  ARG   AAA CD  1 ? 3  
ATOM   4008 N NE  . ARG   C 1 42  ? 13.927 -39.519 -0.873  1.000 96.662  0 41  ARG   AAA NE  1 ? 3  
ATOM   4009 C CZ  . ARG   C 1 42  ? 12.687 -39.284 -1.305  1.000 100.759 0 41  ARG   AAA CZ  1 ? 3  
ATOM   4010 N NH1 . ARG   C 1 42  ? 12.067 -38.152 -1.000  1.000 101.791 0 41  ARG   AAA NH1 1 ? 3  
ATOM   4011 N NH2 . ARG   C 1 42  ? 12.073 -40.185 -2.054  1.000 102.673 0 41  ARG   AAA NH2 1 ? 3  
ATOM   4012 N N   . CYS   C 1 43  ? 18.350 -33.607 -0.249  1.000 70.229  0 42  CYS   AAA N   1 ? 4  
ATOM   4013 C CA  . CYS   C 1 43  ? 19.340 -32.752 0.457   1.000 68.329  0 42  CYS   AAA CA  1 ? 4  
ATOM   4014 C C   . CYS   C 1 43  ? 18.602 -31.883 1.475   1.000 65.213  0 42  CYS   AAA C   1 ? 4  
ATOM   4015 O O   . CYS   C 1 43  ? 17.639 -31.210 1.115   1.000 65.545  0 42  CYS   AAA O   1 ? 4  
ATOM   4016 C CB  . CYS   C 1 43  ? 20.098 -31.880 -0.540  1.000 66.000  0 42  CYS   AAA CB  1 ? 4  
ATOM   4017 S SG  . CYS   C 1 43  ? 21.419 -30.899 0.219   1.000 68.129  0 42  CYS   AAA SG  1 ? 4  
ATOM   4018 N N   . PRO   C 1 44  ? 18.974 -31.898 2.775   1.000 63.625  0 43  PRO   AAA N   1 ? 4  
ATOM   4019 C CA  . PRO   C 1 44  ? 18.353 -31.004 3.753   1.000 61.890  0 43  PRO   AAA CA  1 ? 4  
ATOM   4020 C C   . PRO   C 1 44  ? 18.631 -29.527 3.416   1.000 57.265  0 43  PRO   AAA C   1 ? 4  
ATOM   4021 O O   . PRO   C 1 44  ? 19.678 -29.218 2.831   1.000 54.329  0 43  PRO   AAA O   1 ? 4  
ATOM   4022 C CB  . PRO   C 1 44  ? 18.993 -31.386 5.100   1.000 62.580  0 43  PRO   AAA CB  1 ? 4  
ATOM   4023 C CG  . PRO   C 1 44  ? 19.611 -32.755 4.860   1.000 65.307  0 43  PRO   AAA CG  1 ? 4  
ATOM   4024 C CD  . PRO   C 1 44  ? 19.972 -32.786 3.388   1.000 65.538  0 43  PRO   AAA CD  1 ? 4  
ATOM   4025 N N   . ALA   C 1 45  ? 17.700 -28.647 3.789   1.000 54.024  0 44  ALA   AAA N   1 ? 4  
ATOM   4026 C CA  . ALA   C 1 45  ? 17.736 -27.206 3.453   1.000 51.796  0 44  ALA   AAA CA  1 ? 4  
ATOM   4027 C C   . ALA   C 1 45  ? 18.965 -26.526 4.093   1.000 50.960  0 44  ALA   AAA C   1 ? 4  
ATOM   4028 O O   . ALA   C 1 45  ? 19.374 -25.486 3.567   1.000 50.862  0 44  ALA   AAA O   1 ? 4  
ATOM   4029 C CB  . ALA   C 1 45  ? 16.432 -26.562 3.854   1.000 50.162  0 44  ALA   AAA CB  1 ? 4  
ATOM   4030 N N   . ASP   C 1 46  ? 19.550 -27.074 5.164   1.000 52.521  0 45  ASP   AAA N   1 ? 4  
ATOM   4031 C CA  . ASP   C 1 46  ? 20.700 -26.430 5.862   1.000 55.252  0 45  ASP   AAA CA  1 ? 4  
ATOM   4032 C C   . ASP   C 1 46  ? 22.057 -26.978 5.396   1.000 56.043  0 45  ASP   AAA C   1 ? 4  
ATOM   4033 O O   . ASP   C 1 46  ? 23.078 -26.541 5.950   1.000 58.295  0 45  ASP   AAA O   1 ? 4  
ATOM   4034 C CB  . ASP   C 1 46  ? 20.573 -26.506 7.388   1.000 57.905  0 45  ASP   AAA CB  1 ? 4  
ATOM   4035 C CG  . ASP   C 1 46  ? 20.549 -27.903 7.968   1.000 61.389  0 45  ASP   AAA CG  1 ? 4  
ATOM   4036 O OD1 . ASP   C 1 46  ? 20.552 -28.883 7.177   1.000 64.586  0 45  ASP   AAA OD1 1 ? 4  
ATOM   4037 O OD2 . ASP   C 1 46  ? 20.527 -27.986 9.209   1.000 63.312  0 45  ASP   AAA OD2 1 ? 4  
ATOM   4038 N N   A GLU   C 1 47  ? 22.068 -27.860 4.394   0.500 57.560  0 46  GLU   AAA N   1 ? 4  
ATOM   4039 N N   B GLU   C 1 47  ? 22.091 -27.895 4.422   0.500 57.543  0 46  GLU   AAA N   1 ? 4  
ATOM   4040 C CA  A GLU   C 1 47  ? 23.310 -28.368 3.754   0.500 60.220  0 46  GLU   AAA CA  1 ? 4  
ATOM   4041 C CA  B GLU   C 1 47  ? 23.363 -28.385 3.823   0.500 60.174  0 46  GLU   AAA CA  1 ? 4  
ATOM   4042 C C   A GLU   C 1 47  ? 24.015 -27.196 3.070   0.500 57.777  0 46  GLU   AAA C   1 ? 4  
ATOM   4043 C C   B GLU   C 1 47  ? 24.018 -27.204 3.111   0.500 57.693  0 46  GLU   AAA C   1 ? 4  
ATOM   4044 O O   A GLU   C 1 47  ? 23.356 -26.371 2.439   0.500 55.920  0 46  GLU   AAA O   1 ? 4  
ATOM   4045 O O   B GLU   C 1 47  ? 23.328 -26.369 2.536   0.500 55.557  0 46  GLU   AAA O   1 ? 4  
ATOM   4046 C CB  A GLU   C 1 47  ? 22.954 -29.482 2.764   0.500 63.533  0 46  GLU   AAA CB  1 ? 4  
ATOM   4047 C CB  B GLU   C 1 47  ? 23.139 -29.568 2.874   0.500 63.718  0 46  GLU   AAA CB  1 ? 4  
ATOM   4048 C CG  A GLU   C 1 47  ? 24.022 -30.553 2.599   0.500 68.220  0 46  GLU   AAA CG  1 ? 4  
ATOM   4049 C CG  B GLU   C 1 47  ? 24.260 -30.613 2.900   0.500 68.211  0 46  GLU   AAA CG  1 ? 4  
ATOM   4050 C CD  A GLU   C 1 47  ? 24.368 -31.407 3.812   0.500 70.984  0 46  GLU   AAA CD  1 ? 4  
ATOM   4051 C CD  B GLU   C 1 47  ? 25.139 -30.733 1.656   0.500 69.387  0 46  GLU   AAA CD  1 ? 4  
ATOM   4052 O OE1 A GLU   C 1 47  ? 23.667 -31.320 4.845   0.500 71.253  0 46  GLU   AAA OE1 1 ? 4  
ATOM   4053 O OE1 B GLU   C 1 47  ? 24.958 -31.715 0.903   0.500 70.844  0 46  GLU   AAA OE1 1 ? 4  
ATOM   4054 O OE2 A GLU   C 1 47  ? 25.344 -32.168 3.712   0.500 74.640  0 46  GLU   AAA OE2 1 ? 4  
ATOM   4055 O OE2 B GLU   C 1 47  ? 26.028 -29.870 1.449   0.500 69.444  0 46  GLU   AAA OE2 1 ? 4  
ATOM   4056 N N   . PRO   C 1 48  ? 25.360 -27.068 3.184   1.000 58.030  0 47  PRO   AAA N   1 ? 4  
ATOM   4057 C CA  . PRO   C 1 48  ? 26.079 -25.979 2.517   1.000 56.767  0 47  PRO   AAA CA  1 ? 4  
ATOM   4058 C C   . PRO   C 1 48  ? 25.735 -25.760 1.032   1.000 53.306  0 47  PRO   AAA C   1 ? 4  
ATOM   4059 O O   . PRO   C 1 48  ? 25.679 -24.631 0.639   1.000 53.213  0 47  PRO   AAA O   1 ? 4  
ATOM   4060 C CB  . PRO   C 1 48  ? 27.555 -26.406 2.652   1.000 59.267  0 47  PRO   AAA CB  1 ? 4  
ATOM   4061 C CG  . PRO   C 1 48  ? 27.595 -27.245 3.906   1.000 61.044  0 47  PRO   AAA CG  1 ? 4  
ATOM   4062 C CD  . PRO   C 1 48  ? 26.251 -27.943 3.964   1.000 61.240  0 47  PRO   AAA CD  1 ? 4  
ATOM   4063 N N   . ARG   C 1 49  ? 25.526 -26.829 0.261   1.000 52.358  0 48  ARG   AAA N   1 ? 4  
ATOM   4064 C CA  . ARG   C 1 49  ? 25.193 -26.765 -1.187  1.000 52.899  0 48  ARG   AAA CA  1 ? 4  
ATOM   4065 C C   . ARG   C 1 49  ? 23.810 -26.117 -1.378  1.000 50.627  0 48  ARG   AAA C   1 ? 4  
ATOM   4066 O O   . ARG   C 1 49  ? 23.639 -25.382 -2.363  1.000 50.182  0 48  ARG   AAA O   1 ? 4  
ATOM   4067 C CB  . ARG   C 1 49  ? 25.173 -28.158 -1.819  1.000 53.970  0 48  ARG   AAA CB  1 ? 4  
ATOM   4068 C CG  . ARG   C 1 49  ? 26.544 -28.697 -2.202  1.000 59.332  0 48  ARG   AAA CG  1 ? 4  
ATOM   4069 C CD  . ARG   C 1 49  ? 26.440 -30.062 -2.858  1.000 62.034  0 48  ARG   AAA CD  1 ? 4  
ATOM   4070 N NE  . ARG   C 1 49  ? 25.699 -30.992 -2.006  1.000 64.764  0 48  ARG   AAA NE  1 ? 4  
ATOM   4071 C CZ  . ARG   C 1 49  ? 25.089 -32.098 -2.417  1.000 66.389  0 48  ARG   AAA CZ  1 ? 4  
ATOM   4072 N NH1 . ARG   C 1 49  ? 25.121 -32.431 -3.697  1.000 66.829  0 48  ARG   AAA NH1 1 ? 4  
ATOM   4073 N NH2 . ARG   C 1 49  ? 24.444 -32.855 -1.541  1.000 65.786  0 48  ARG   AAA NH2 1 ? 4  
ATOM   4074 N N   . ALA   C 1 50  ? 22.859 -26.405 -0.487  1.000 47.793  0 49  ALA   AAA N   1 ? 4  
ATOM   4075 C CA  . ALA   C 1 50  ? 21.478 -25.885 -0.552  1.000 47.544  0 49  ALA   AAA CA  1 ? 4  
ATOM   4076 C C   . ALA   C 1 50  ? 21.502 -24.383 -0.263  1.000 45.326  0 49  ALA   AAA C   1 ? 4  
ATOM   4077 O O   . ALA   C 1 50  ? 20.872 -23.624 -1.009  1.000 45.433  0 49  ALA   AAA O   1 ? 4  
ATOM   4078 C CB  . ALA   C 1 50  ? 20.588 -26.636 0.409   1.000 48.885  0 49  ALA   AAA CB  1 ? 4  
ATOM   4079 N N   . ILE   C 1 51  ? 22.241 -23.989 0.767   1.000 46.847  0 50  ILE   AAA N   1 ? 4  
ATOM   4080 C CA  . ILE   C 1 51  ? 22.411 -22.574 1.215   1.000 47.018  0 50  ILE   AAA CA  1 ? 4  
ATOM   4081 C C   . ILE   C 1 51  ? 23.100 -21.777 0.097   1.000 47.605  0 50  ILE   AAA C   1 ? 4  
ATOM   4082 O O   . ILE   C 1 51  ? 22.609 -20.693 -0.231  1.000 47.491  0 50  ILE   AAA O   1 ? 4  
ATOM   4083 C CB  . ILE   C 1 51  ? 23.180 -22.545 2.553   1.000 48.877  0 50  ILE   AAA CB  1 ? 4  
ATOM   4084 C CG1 . ILE   C 1 51  ? 22.273 -23.016 3.695   1.000 49.472  0 50  ILE   AAA CG1 1 ? 4  
ATOM   4085 C CG2 . ILE   C 1 51  ? 23.794 -21.177 2.826   1.000 49.401  0 50  ILE   AAA CG2 1 ? 4  
ATOM   4086 C CD1 . ILE   C 1 51  ? 23.001 -23.297 4.990   1.000 50.918  0 50  ILE   AAA CD1 1 ? 4  
ATOM   4087 N N   . ALA   C 1 52  ? 24.187 -22.296 -0.473  1.000 46.713  0 51  ALA   AAA N   1 ? 4  
ATOM   4088 C CA  . ALA   C 1 52  ? 24.949 -21.625 -1.554  1.000 47.612  0 51  ALA   AAA CA  1 ? 4  
ATOM   4089 C C   . ALA   C 1 52  ? 24.035 -21.420 -2.773  1.000 46.786  0 51  ALA   AAA C   1 ? 4  
ATOM   4090 O O   . ALA   C 1 52  ? 24.002 -20.284 -3.309  1.000 46.235  0 51  ALA   AAA O   1 ? 4  
ATOM   4091 C CB  . ALA   C 1 52  ? 26.188 -22.415 -1.903  1.000 47.471  0 51  ALA   AAA CB  1 ? 4  
ATOM   4092 N N   . LEU   C 1 53  ? 23.291 -22.461 -3.166  1.000 45.885  0 52  LEU   AAA N   1 ? 4  
ATOM   4093 C CA  . LEU   C 1 53  ? 22.360 -22.396 -4.319  1.000 46.253  0 52  LEU   AAA CA  1 ? 4  
ATOM   4094 C C   . LEU   C 1 53  ? 21.306 -21.301 -4.069  1.000 44.715  0 52  LEU   AAA C   1 ? 4  
ATOM   4095 O O   . LEU   C 1 53  ? 21.129 -20.420 -4.952  1.000 44.080  0 52  LEU   AAA O   1 ? 4  
ATOM   4096 C CB  . LEU   C 1 53  ? 21.682 -23.751 -4.531  1.000 45.578  0 52  LEU   AAA CB  1 ? 4  
ATOM   4097 C CG  . LEU   C 1 53  ? 20.625 -23.739 -5.640  1.000 46.226  0 52  LEU   AAA CG  1 ? 4  
ATOM   4098 C CD1 . LEU   C 1 53  ? 21.269 -23.401 -6.985  1.000 48.627  0 52  LEU   AAA CD1 1 ? 4  
ATOM   4099 C CD2 . LEU   C 1 53  ? 19.864 -25.052 -5.707  1.000 45.513  0 52  LEU   AAA CD2 1 ? 4  
ATOM   4100 N N   . ALA   C 1 54  ? 20.631 -21.356 -2.919  1.000 41.990  0 53  ALA   AAA N   1 ? 4  
ATOM   4101 C CA  . ALA   C 1 54  ? 19.530 -20.435 -2.564  1.000 43.126  0 53  ALA   AAA CA  1 ? 4  
ATOM   4102 C C   . ALA   C 1 54  ? 20.038 -18.997 -2.653  1.000 46.361  0 53  ALA   AAA C   1 ? 4  
ATOM   4103 O O   . ALA   C 1 54  ? 19.299 -18.146 -3.154  1.000 48.813  0 53  ALA   AAA O   1 ? 4  
ATOM   4104 C CB  . ALA   C 1 54  ? 18.972 -20.752 -1.190  1.000 43.433  0 53  ALA   AAA CB  1 ? 4  
ATOM   4105 N N   . THR   C 1 55  ? 21.260 -18.731 -2.184  1.000 48.486  0 54  THR   AAA N   1 ? 4  
ATOM   4106 C CA  . THR   C 1 55  ? 21.852 -17.372 -2.173  1.000 51.127  0 54  THR   AAA CA  1 ? 4  
ATOM   4107 C C   . THR   C 1 55  ? 21.987 -16.877 -3.619  1.000 53.040  0 54  THR   AAA C   1 ? 4  
ATOM   4108 O O   . THR   C 1 55  ? 21.486 -15.768 -3.911  1.000 53.245  0 54  THR   AAA O   1 ? 4  
ATOM   4109 C CB  . THR   C 1 55  ? 23.160 -17.363 -1.379  1.000 53.856  0 54  THR   AAA CB  1 ? 4  
ATOM   4110 O OG1 . THR   C 1 55  ? 22.807 -17.726 -0.043  1.000 56.662  0 54  THR   AAA OG1 1 ? 4  
ATOM   4111 C CG2 . THR   C 1 55  ? 23.854 -16.020 -1.383  1.000 56.732  0 54  THR   AAA CG2 1 ? 4  
ATOM   4112 N N   . ARG   C 1 56  ? 22.632 -17.663 -4.487  1.000 54.324  0 55  ARG   AAA N   1 ? 4  
ATOM   4113 C CA  . ARG   C 1 56  ? 22.819 -17.316 -5.921  1.000 56.158  0 55  ARG   AAA CA  1 ? 4  
ATOM   4114 C C   . ARG   C 1 56  ? 21.449 -17.114 -6.579  1.000 54.108  0 55  ARG   AAA C   1 ? 4  
ATOM   4115 O O   . ARG   C 1 56  ? 21.270 -16.123 -7.321  1.000 54.487  0 55  ARG   AAA O   1 ? 4  
ATOM   4116 C CB  . ARG   C 1 56  ? 23.556 -18.427 -6.670  1.000 59.030  0 55  ARG   AAA CB  1 ? 4  
ATOM   4117 C CG  . ARG   C 1 56  ? 25.069 -18.279 -6.681  1.000 64.819  0 55  ARG   AAA CG  1 ? 4  
ATOM   4118 C CD  . ARG   C 1 56  ? 25.697 -19.251 -7.660  1.000 69.540  0 55  ARG   AAA CD  1 ? 4  
ATOM   4119 N NE  . ARG   C 1 56  ? 25.439 -20.632 -7.270  1.000 68.300  0 55  ARG   AAA NE  1 ? 4  
ATOM   4120 C CZ  . ARG   C 1 56  ? 25.015 -21.607 -8.071  1.000 68.610  0 55  ARG   AAA CZ  1 ? 4  
ATOM   4121 N NH1 . ARG   C 1 56  ? 24.779 -21.389 -9.358  1.000 69.083  0 55  ARG   AAA NH1 1 ? 4  
ATOM   4122 N NH2 . ARG   C 1 56  ? 24.810 -22.808 -7.555  1.000 68.923  0 55  ARG   AAA NH2 1 ? 4  
ATOM   4123 N N   . TRP   C 1 57  ? 20.538 -18.058 -6.323  1.000 49.987  0 56  TRP   AAA N   1 ? 5  
ATOM   4124 C CA  . TRP   C 1 57  ? 19.161 -18.069 -6.869  1.000 46.745  0 56  TRP   AAA CA  1 ? 5  
ATOM   4125 C C   . TRP   C 1 57  ? 18.490 -16.727 -6.550  1.000 48.349  0 56  TRP   AAA C   1 ? 5  
ATOM   4126 O O   . TRP   C 1 57  ? 18.027 -16.042 -7.489  1.000 46.642  0 56  TRP   AAA O   1 ? 5  
ATOM   4127 C CB  . TRP   C 1 57  ? 18.402 -19.268 -6.296  1.000 45.683  0 56  TRP   AAA CB  1 ? 5  
ATOM   4128 C CG  . TRP   C 1 57  ? 16.988 -19.441 -6.762  1.000 45.080  0 56  TRP   AAA CG  1 ? 5  
ATOM   4129 C CD1 . TRP   C 1 57  ? 15.939 -18.599 -6.544  1.000 45.165  0 56  TRP   AAA CD1 1 ? 5  
ATOM   4130 C CD2 . TRP   C 1 57  ? 16.437 -20.582 -7.436  1.000 44.667  0 56  TRP   AAA CD2 1 ? 5  
ATOM   4131 N NE1 . TRP   C 1 57  ? 14.785 -19.123 -7.050  1.000 46.401  0 56  TRP   AAA NE1 1 ? 5  
ATOM   4132 C CE2 . TRP   C 1 57  ? 15.057 -20.340 -7.605  1.000 45.699  0 56  TRP   AAA CE2 1 ? 5  
ATOM   4133 C CE3 . TRP   C 1 57  ? 16.969 -21.783 -7.906  1.000 45.676  0 56  TRP   AAA CE3 1 ? 5  
ATOM   4134 C CZ2 . TRP   C 1 57  ? 14.216 -21.242 -8.256  1.000 46.804  0 56  TRP   AAA CZ2 1 ? 5  
ATOM   4135 C CZ3 . TRP   C 1 57  ? 16.142 -22.676 -8.545  1.000 46.857  0 56  TRP   AAA CZ3 1 ? 5  
ATOM   4136 C CH2 . TRP   C 1 57  ? 14.787 -22.403 -8.724  1.000 47.532  0 56  TRP   AAA CH2 1 ? 5  
ATOM   4137 N N   . MET   C 1 58  ? 18.464 -16.345 -5.273  1.000 48.841  0 57  MET   AAA N   1 ? 5  
ATOM   4138 C CA  . MET   C 1 58  ? 17.724 -15.146 -4.825  1.000 51.043  0 57  MET   AAA CA  1 ? 5  
ATOM   4139 C C   . MET   C 1 58  ? 18.409 -13.891 -5.360  1.000 54.851  0 57  MET   AAA C   1 ? 5  
ATOM   4140 O O   . MET   C 1 58  ? 17.666 -12.973 -5.731  1.000 56.649  0 57  MET   AAA O   1 ? 5  
ATOM   4141 C CB  . MET   C 1 58  ? 17.635 -15.083 -3.308  1.000 51.828  0 57  MET   AAA CB  1 ? 5  
ATOM   4142 C CG  . MET   C 1 58  ? 16.755 -16.172 -2.725  1.000 50.379  0 57  MET   AAA CG  1 ? 5  
ATOM   4143 S SD  . MET   C 1 58  ? 15.109 -16.307 -3.481  1.000 50.456  0 57  MET   AAA SD  1 ? 5  
ATOM   4144 C CE  . MET   C 1 58  ? 14.349 -14.791 -2.917  1.000 51.020  0 57  MET   AAA CE  1 ? 5  
ATOM   4145 N N   . GLU   C 1 59  ? 19.744 -13.870 -5.450  1.000 56.500  0 58  GLU   AAA N   1 ? 5  
ATOM   4146 C CA  . GLU   C 1 59  ? 20.484 -12.739 -6.074  1.000 61.376  0 58  GLU   AAA CA  1 ? 5  
ATOM   4147 C C   . GLU   C 1 59  ? 20.071 -12.599 -7.549  1.000 59.448  0 58  GLU   AAA C   1 ? 5  
ATOM   4148 O O   . GLU   C 1 59  ? 19.903 -11.451 -8.018  1.000 60.020  0 58  GLU   AAA O   1 ? 5  
ATOM   4149 C CB  . GLU   C 1 59  ? 21.995 -12.927 -5.947  1.000 64.476  0 58  GLU   AAA CB  1 ? 5  
ATOM   4150 C CG  . GLU   C 1 59  ? 22.536 -12.546 -4.588  1.000 70.376  0 58  GLU   AAA CG  1 ? 5  
ATOM   4151 C CD  . GLU   C 1 59  ? 24.055 -12.536 -4.494  1.000 77.740  0 58  GLU   AAA CD  1 ? 5  
ATOM   4152 O OE1 . GLU   C 1 59  ? 24.671 -13.626 -4.590  1.000 78.542  0 58  GLU   AAA OE1 1 ? 5  
ATOM   4153 O OE2 . GLU   C 1 59  ? 24.634 -11.438 -4.351  1.000 85.177  0 58  GLU   AAA OE2 1 ? 5  
ATOM   4154 N N   . GLN   C 1 60  ? 19.920 -13.726 -8.253  1.000 55.344  0 59  GLN   AAA N   1 ? 5  
ATOM   4155 C CA  . GLN   C 1 60  ? 19.514 -13.736 -9.679  1.000 54.238  0 59  GLN   AAA CA  1 ? 5  
ATOM   4156 C C   . GLN   C 1 60  ? 18.097 -13.143 -9.790  1.000 53.981  0 59  GLN   AAA C   1 ? 5  
ATOM   4157 O O   . GLN   C 1 60  ? 17.878 -12.294 -10.665 1.000 55.636  0 59  GLN   AAA O   1 ? 5  
ATOM   4158 C CB  . GLN   C 1 60  ? 19.592 -15.160 -10.233 1.000 51.968  0 59  GLN   AAA CB  1 ? 5  
ATOM   4159 C CG  . GLN   C 1 60  ? 19.343 -15.256 -11.733 1.000 53.774  0 59  GLN   AAA CG  1 ? 5  
ATOM   4160 C CD  . GLN   C 1 60  ? 20.394 -14.525 -12.526 1.000 56.997  0 59  GLN   AAA CD  1 ? 5  
ATOM   4161 O OE1 . GLN   C 1 60  ? 21.576 -14.541 -12.188 1.000 59.378  0 59  GLN   AAA OE1 1 ? 5  
ATOM   4162 N NE2 . GLN   C 1 60  ? 19.971 -13.883 -13.599 1.000 59.541  0 59  GLN   AAA NE2 1 ? 5  
ATOM   4163 N N   . LEU   C 1 61  ? 17.176 -13.585 -8.926  1.000 53.193  0 60  LEU   AAA N   1 ? 5  
ATOM   4164 C CA  . LEU   C 1 61  ? 15.754 -13.148 -8.905  1.000 52.956  0 60  LEU   AAA CA  1 ? 5  
ATOM   4165 C C   . LEU   C 1 61  ? 15.691 -11.636 -8.658  1.000 55.424  0 60  LEU   AAA C   1 ? 5  
ATOM   4166 O O   . LEU   C 1 61  ? 14.852 -10.968 -9.287  1.000 55.581  0 60  LEU   AAA O   1 ? 5  
ATOM   4167 C CB  . LEU   C 1 61  ? 15.011 -13.901 -7.798  1.000 52.324  0 60  LEU   AAA CB  1 ? 5  
ATOM   4168 C CG  . LEU   C 1 61  ? 13.559 -14.278 -8.060  1.000 53.252  0 60  LEU   AAA CG  1 ? 5  
ATOM   4169 C CD1 . LEU   C 1 61  ? 13.320 -14.678 -9.501  1.000 52.354  0 60  LEU   AAA CD1 1 ? 5  
ATOM   4170 C CD2 . LEU   C 1 61  ? 13.139 -15.391 -7.114  1.000 52.851  0 60  LEU   AAA CD2 1 ? 5  
ATOM   4171 N N   . GLU   C 1 62  ? 16.552 -11.131 -7.774  1.000 56.605  0 61  GLU   AAA N   1 ? 5  
ATOM   4172 C CA  . GLU   C 1 62  ? 16.633 -9.696  -7.397  1.000 63.029  0 61  GLU   AAA CA  1 ? 5  
ATOM   4173 C C   . GLU   C 1 62  ? 16.984 -8.874  -8.651  1.000 66.089  0 61  GLU   AAA C   1 ? 5  
ATOM   4174 O O   . GLU   C 1 62  ? 16.344 -7.823  -8.892  1.000 71.749  0 61  GLU   AAA O   1 ? 5  
ATOM   4175 C CB  . GLU   C 1 62  ? 17.682 -9.541  -6.297  1.000 66.322  0 61  GLU   AAA CB  1 ? 5  
ATOM   4176 C CG  . GLU   C 1 62  ? 17.310 -8.504  -5.257  1.000 72.810  0 61  GLU   AAA CG  1 ? 5  
ATOM   4177 C CD  . GLU   C 1 62  ? 18.257 -8.440  -4.077  1.000 76.627  0 61  GLU   AAA CD  1 ? 5  
ATOM   4178 O OE1 . GLU   C 1 62  ? 19.312 -9.114  -4.116  1.000 78.522  0 61  GLU   AAA OE1 1 ? 5  
ATOM   4179 O OE2 . GLU   C 1 62  ? 17.908 -7.787  -3.088  1.000 80.415  0 61  GLU   AAA OE2 1 ? 5  
ATOM   4180 N N   . GLN   C 1 63  ? 17.957 -9.351  -9.428  1.000 66.480  0 62  GLN   AAA N   1 ? 5  
ATOM   4181 C CA  . GLN   C 1 63  ? 18.410 -8.732  -10.702 1.000 71.924  0 62  GLN   AAA CA  1 ? 5  
ATOM   4182 C C   . GLN   C 1 63  ? 17.273 -8.792  -11.736 1.000 70.384  0 62  GLN   AAA C   1 ? 5  
ATOM   4183 O O   . GLN   C 1 63  ? 16.959 -7.750  -12.337 1.000 75.312  0 62  GLN   AAA O   1 ? 5  
ATOM   4184 C CB  . GLN   C 1 63  ? 19.659 -9.464  -11.188 1.000 72.767  0 62  GLN   AAA CB  1 ? 5  
ATOM   4185 C CG  . GLN   C 1 63  ? 20.416 -8.772  -12.307 1.000 79.383  0 62  GLN   AAA CG  1 ? 5  
ATOM   4186 C CD  . GLN   C 1 63  ? 21.525 -9.659  -12.836 1.000 81.936  0 62  GLN   AAA CD  1 ? 5  
ATOM   4187 O OE1 . GLN   C 1 63  ? 22.698 -9.518  -12.485 1.000 85.486  0 62  GLN   AAA OE1 1 ? 5  
ATOM   4188 N NE2 . GLN   C 1 63  ? 21.156 -10.621 -13.669 1.000 78.705  0 62  GLN   AAA NE2 1 ? 5  
ATOM   4189 N N   . ASP   C 1 64  ? 16.654 -9.961  -11.906 1.000 64.791  0 63  ASP   AAA N   1 ? 5  
ATOM   4190 C CA  . ASP   C 1 64  ? 15.714 -10.255 -13.023 1.000 65.479  0 63  ASP   AAA CA  1 ? 5  
ATOM   4191 C C   . ASP   C 1 64  ? 14.307 -9.674  -12.759 1.000 64.334  0 63  ASP   AAA C   1 ? 5  
ATOM   4192 O O   . ASP   C 1 64  ? 13.453 -9.733  -13.678 1.000 63.574  0 63  ASP   AAA O   1 ? 5  
ATOM   4193 C CB  . ASP   C 1 64  ? 15.683 -11.764 -13.274 1.000 61.646  0 63  ASP   AAA CB  1 ? 5  
ATOM   4194 C CG  . ASP   C 1 64  ? 17.009 -12.298 -13.799 1.000 63.373  0 63  ASP   AAA CG  1 ? 5  
ATOM   4195 O OD1 . ASP   C 1 64  ? 17.866 -11.476 -14.182 1.000 66.948  0 63  ASP   AAA OD1 1 ? 5  
ATOM   4196 O OD2 . ASP   C 1 64  ? 17.161 -13.532 -13.852 1.000 60.064  0 63  ASP   AAA OD2 1 ? 5  
ATOM   4197 N N   . THR   C 1 65  ? 14.057 -9.159  -11.550 1.000 62.709  0 64  THR   AAA N   1 ? 5  
ATOM   4198 C CA  . THR   C 1 65  ? 12.833 -8.400  -11.191 1.000 63.394  0 64  THR   AAA CA  1 ? 5  
ATOM   4199 C C   . THR   C 1 65  ? 13.159 -6.903  -11.091 1.000 70.388  0 64  THR   AAA C   1 ? 5  
ATOM   4200 O O   . THR   C 1 65  ? 12.253 -6.144  -10.722 1.000 73.388  0 64  THR   AAA O   1 ? 5  
ATOM   4201 C CB  . THR   C 1 65  ? 12.226 -8.900  -9.882  1.000 60.794  0 64  THR   AAA CB  1 ? 5  
ATOM   4202 O OG1 . THR   C 1 65  ? 13.234 -8.812  -8.880  1.000 57.835  0 64  THR   AAA OG1 1 ? 5  
ATOM   4203 C CG2 . THR   C 1 65  ? 11.731 -10.322 -9.973  1.000 59.163  0 64  THR   AAA CG2 1 ? 5  
ATOM   4204 N N   . ALA   C 1 66  ? 14.394 -6.505  -11.428 1.000 73.161  0 65  ALA   AAA N   1 ? 5  
ATOM   4205 C CA  . ALA   C 1 66  ? 14.902 -5.114  -11.379 1.000 78.654  0 65  ALA   AAA CA  1 ? 5  
ATOM   4206 C C   . ALA   C 1 66  ? 14.722 -4.534  -9.974  1.000 79.832  0 65  ALA   AAA C   1 ? 5  
ATOM   4207 O O   . ALA   C 1 66  ? 14.444 -3.337  -9.875  1.000 84.146  0 65  ALA   AAA O   1 ? 5  
ATOM   4208 C CB  . ALA   C 1 66  ? 14.200 -4.263  -12.409 1.000 82.624  0 65  ALA   AAA CB  1 ? 5  
ATOM   4209 N N   . GLY   C 1 67  ? 14.884 -5.354  -8.931  1.000 77.346  0 66  GLY   AAA N   1 ? 5  
ATOM   4210 C CA  . GLY   C 1 67  ? 14.757 -4.929  -7.525  1.000 79.431  0 66  GLY   AAA CA  1 ? 5  
ATOM   4211 C C   . GLY   C 1 67  ? 13.344 -4.483  -7.163  1.000 79.101  0 66  GLY   AAA C   1 ? 5  
ATOM   4212 O O   . GLY   C 1 67  ? 13.205 -3.785  -6.150  1.000 83.414  0 66  GLY   AAA O   1 ? 5  
ATOM   4213 N N   . ARG   C 1 68  ? 12.328 -4.889  -7.933  1.000 75.445  0 67  ARG   AAA N   1 ? 5  
ATOM   4214 C CA  . ARG   C 1 68  ? 10.907 -4.531  -7.691  1.000 76.431  0 67  ARG   AAA CA  1 ? 5  
ATOM   4215 C C   . ARG   C 1 68  ? 10.234 -5.706  -6.993  1.000 72.545  0 67  ARG   AAA C   1 ? 5  
ATOM   4216 O O   . ARG   C 1 68  ? 9.984  -6.742  -7.603  1.000 67.278  0 67  ARG   AAA O   1 ? 5  
ATOM   4217 C CB  . ARG   C 1 68  ? 10.220 -4.150  -9.003  1.000 79.068  0 67  ARG   AAA CB  1 ? 5  
ATOM   4218 C CG  . ARG   C 1 68  ? 10.851 -2.944  -9.682  1.000 86.273  0 67  ARG   AAA CG  1 ? 5  
ATOM   4219 C CD  . ARG   C 1 68  ? 9.921  -2.148  -10.566 1.000 91.468  0 67  ARG   AAA CD  1 ? 5  
ATOM   4220 N NE  . ARG   C 1 68  ? 10.533 -0.853  -10.848 1.000 100.177 0 67  ARG   AAA NE  1 ? 5  
ATOM   4221 C CZ  . ARG   C 1 68  ? 10.290 0.276   -10.183 1.000 105.952 0 67  ARG   AAA CZ  1 ? 5  
ATOM   4222 N NH1 . ARG   C 1 68  ? 9.418  0.300   -9.187  1.000 106.120 0 67  ARG   AAA NH1 1 ? 5  
ATOM   4223 N NH2 . ARG   C 1 68  ? 10.925 1.384   -10.519 1.000 112.479 0 67  ARG   AAA NH2 1 ? 5  
ATOM   4224 N N   . PRO   C 1 69  ? 9.956  -5.593  -5.676  1.000 76.132  0 68  PRO   AAA N   1 ? 5  
ATOM   4225 C CA  . PRO   C 1 69  ? 9.422  -6.717  -4.911  1.000 73.044  0 68  PRO   AAA CA  1 ? 5  
ATOM   4226 C C   . PRO   C 1 69  ? 8.033  -7.173  -5.392  1.000 71.338  0 68  PRO   AAA C   1 ? 5  
ATOM   4227 O O   . PRO   C 1 69  ? 7.763  -8.357  -5.344  1.000 69.247  0 68  PRO   AAA O   1 ? 5  
ATOM   4228 C CB  . PRO   C 1 69  ? 9.315  -6.175  -3.478  1.000 78.802  0 68  PRO   AAA CB  1 ? 5  
ATOM   4229 C CG  . PRO   C 1 69  ? 10.174 -4.920  -3.454  1.000 84.004  0 68  PRO   AAA CG  1 ? 5  
ATOM   4230 C CD  . PRO   C 1 69  ? 10.140 -4.381  -4.861  1.000 81.932  0 68  PRO   AAA CD  1 ? 5  
ATOM   4231 N N   . GLU   C 1 70  ? 7.192  -6.239  -5.850  1.000 72.480  0 69  GLU   AAA N   1 ? 5  
ATOM   4232 C CA  . GLU   C 1 70  ? 5.808  -6.524  -6.318  1.000 71.969  0 69  GLU   AAA CA  1 ? 5  
ATOM   4233 C C   . GLU   C 1 70  ? 5.850  -7.466  -7.529  1.000 68.382  0 69  GLU   AAA C   1 ? 5  
ATOM   4234 O O   . GLU   C 1 70  ? 4.840  -8.197  -7.740  1.000 67.959  0 69  GLU   AAA O   1 ? 5  
ATOM   4235 C CB  . GLU   C 1 70  ? 5.032  -5.240  -6.630  1.000 79.432  0 69  GLU   AAA CB  1 ? 5  
ATOM   4236 C CG  . GLU   C 1 70  ? 5.603  -4.411  -7.767  1.000 83.176  0 69  GLU   AAA CG  1 ? 5  
ATOM   4237 C CD  . GLU   C 1 70  ? 6.647  -3.364  -7.398  1.000 87.326  0 69  GLU   AAA CD  1 ? 5  
ATOM   4238 O OE1 . GLU   C 1 70  ? 7.461  -3.609  -6.477  1.000 87.069  0 69  GLU   AAA OE1 1 ? 5  
ATOM   4239 O OE2 . GLU   C 1 70  ? 6.648  -2.309  -8.048  1.000 96.424  0 69  GLU   AAA OE2 1 ? 5  
ATOM   4240 N N   . PHE   C 1 71  ? 6.954  -7.467  -8.295  1.000 62.975  0 70  PHE   AAA N   1 ? 5  
ATOM   4241 C CA  . PHE   C 1 71  ? 7.125  -8.380  -9.451  1.000 57.462  0 70  PHE   AAA CA  1 ? 5  
ATOM   4242 C C   . PHE   C 1 71  ? 7.427  -9.789  -8.951  1.000 52.049  0 70  PHE   AAA C   1 ? 5  
ATOM   4243 O O   . PHE   C 1 71  ? 7.149  -10.737 -9.697  1.000 51.360  0 70  PHE   AAA O   1 ? 5  
ATOM   4244 C CB  . PHE   C 1 71  ? 8.193  -7.889  -10.436 1.000 57.825  0 70  PHE   AAA CB  1 ? 5  
ATOM   4245 C CG  . PHE   C 1 71  ? 7.842  -6.621  -11.178 1.000 61.992  0 70  PHE   AAA CG  1 ? 5  
ATOM   4246 C CD1 . PHE   C 1 71  ? 6.531  -6.155  -11.234 1.000 64.268  0 70  PHE   AAA CD1 1 ? 5  
ATOM   4247 C CD2 . PHE   C 1 71  ? 8.812  -5.929  -11.887 1.000 63.274  0 70  PHE   AAA CD2 1 ? 5  
ATOM   4248 C CE1 . PHE   C 1 71  ? 6.213  -4.994  -11.916 1.000 67.069  0 70  PHE   AAA CE1 1 ? 5  
ATOM   4249 C CE2 . PHE   C 1 71  ? 8.493  -4.766  -12.568 1.000 67.312  0 70  PHE   AAA CE2 1 ? 5  
ATOM   4250 C CZ  . PHE   C 1 71  ? 7.194  -4.300  -12.581 1.000 69.954  0 70  PHE   AAA CZ  1 ? 5  
ATOM   4251 N N   . LEU   C 1 72  ? 8.007  -9.945  -7.761  1.000 52.929  0 71  LEU   AAA N   1 ? 6  
ATOM   4252 C CA  . LEU   C 1 72  ? 8.251  -11.292 -7.192  1.000 52.156  0 71  LEU   AAA CA  1 ? 6  
ATOM   4253 C C   . LEU   C 1 72  ? 6.898  -11.958 -6.919  1.000 51.464  0 71  LEU   AAA C   1 ? 6  
ATOM   4254 O O   . LEU   C 1 72  ? 6.711  -13.096 -7.348  1.000 52.366  0 71  LEU   AAA O   1 ? 6  
ATOM   4255 C CB  . LEU   C 1 72  ? 9.079  -11.200 -5.910  1.000 53.601  0 71  LEU   AAA CB  1 ? 6  
ATOM   4256 C CG  . LEU   C 1 72  ? 9.427  -12.545 -5.277  1.000 52.120  0 71  LEU   AAA CG  1 ? 6  
ATOM   4257 C CD1 . LEU   C 1 72  ? 10.190 -13.414 -6.248  1.000 53.362  0 71  LEU   AAA CD1 1 ? 6  
ATOM   4258 C CD2 . LEU   C 1 72  ? 10.225 -12.356 -3.999  1.000 54.542  0 71  LEU   AAA CD2 1 ? 6  
ATOM   4259 N N   . THR   C 1 73  ? 5.989  -11.266 -6.234  1.000 52.424  0 72  THR   AAA N   1 ? 6  
ATOM   4260 C CA  . THR   C 1 73  ? 4.625  -11.771 -5.921  1.000 52.940  0 72  THR   AAA CA  1 ? 6  
ATOM   4261 C C   . THR   C 1 73  ? 3.972  -12.260 -7.221  1.000 53.182  0 72  THR   AAA C   1 ? 6  
ATOM   4262 O O   . THR   C 1 73  ? 3.508  -13.423 -7.274  1.000 52.023  0 72  THR   AAA O   1 ? 6  
ATOM   4263 C CB  . THR   C 1 73  ? 3.805  -10.718 -5.176  1.000 54.356  0 72  THR   AAA CB  1 ? 6  
ATOM   4264 O OG1 . THR   C 1 73  ? 4.474  -10.532 -3.921  1.000 53.881  0 72  THR   AAA OG1 1 ? 6  
ATOM   4265 C CG2 . THR   C 1 73  ? 2.349  -11.118 -4.992  1.000 56.726  0 72  THR   AAA CG2 1 ? 6  
ATOM   4266 N N   A ARG   C 1 74  ? 3.993  -11.410 -8.245  0.500 52.932  0 73  ARG   AAA N   1 ? 6  
ATOM   4267 N N   B ARG   C 1 74  ? 3.951  -11.426 -8.268  0.500 53.985  0 73  ARG   AAA N   1 ? 6  
ATOM   4268 C CA  A ARG   C 1 74  ? 3.340  -11.664 -9.548  0.500 53.468  0 73  ARG   AAA CA  1 ? 6  
ATOM   4269 C CA  B ARG   C 1 74  ? 3.259  -11.756 -9.545  0.500 55.152  0 73  ARG   AAA CA  1 ? 6  
ATOM   4270 C C   A ARG   C 1 74  ? 3.933  -12.920 -10.187 0.500 52.826  0 73  ARG   AAA C   1 ? 6  
ATOM   4271 C C   B ARG   C 1 74  ? 3.926  -12.964 -10.202 0.500 53.838  0 73  ARG   AAA C   1 ? 6  
ATOM   4272 O O   A ARG   C 1 74  ? 3.158  -13.765 -10.648 0.500 54.063  0 73  ARG   AAA O   1 ? 6  
ATOM   4273 O O   B ARG   C 1 74  ? 3.189  -13.809 -10.732 0.500 55.172  0 73  ARG   AAA O   1 ? 6  
ATOM   4274 C CB  A ARG   C 1 74  ? 3.495  -10.393 -10.365 0.500 55.051  0 73  ARG   AAA CB  1 ? 6  
ATOM   4275 C CB  B ARG   C 1 74  ? 3.224  -10.583 -10.529 0.500 58.056  0 73  ARG   AAA CB  1 ? 6  
ATOM   4276 C CG  A ARG   C 1 74  ? 3.197  -9.168  -9.507  0.500 55.290  0 73  ARG   AAA CG  1 ? 6  
ATOM   4277 C CG  B ARG   C 1 74  ? 1.935  -9.774  -10.469 0.500 60.754  0 73  ARG   AAA CG  1 ? 6  
ATOM   4278 C CD  A ARG   C 1 74  ? 1.721  -8.798  -9.488  0.500 56.537  0 73  ARG   AAA CD  1 ? 6  
ATOM   4279 C CD  B ARG   C 1 74  ? 1.697  -9.052  -11.771 0.500 64.328  0 73  ARG   AAA CD  1 ? 6  
ATOM   4280 N NE  A ARG   C 1 74  ? 1.370  -8.558  -10.870 0.500 57.158  0 73  ARG   AAA NE  1 ? 6  
ATOM   4281 N NE  B ARG   C 1 74  ? 1.229  -7.683  -11.617 0.500 67.939  0 73  ARG   AAA NE  1 ? 6  
ATOM   4282 C CZ  A ARG   C 1 74  ? 1.638  -7.431  -11.516 0.500 59.633  0 73  ARG   AAA CZ  1 ? 6  
ATOM   4283 C CZ  B ARG   C 1 74  ? 1.745  -6.792  -10.776 0.500 68.109  0 73  ARG   AAA CZ  1 ? 6  
ATOM   4284 N NH1 A ARG   C 1 74  ? 1.382  -7.338  -12.808 0.500 61.640  0 73  ARG   AAA NH1 1 ? 6  
ATOM   4285 N NH1 B ARG   C 1 74  ? 1.261  -5.564  -10.735 0.500 71.919  0 73  ARG   AAA NH1 1 ? 6  
ATOM   4286 N NH2 A ARG   C 1 74  ? 2.196  -6.418  -10.875 0.500 59.669  0 73  ARG   AAA NH2 1 ? 6  
ATOM   4287 N NH2 B ARG   C 1 74  ? 2.726  -7.129  -9.961  0.500 65.889  0 73  ARG   AAA NH2 1 ? 6  
ATOM   4288 N N   . LEU   C 1 75  ? 5.257  -13.048 -10.169 1.000 53.585  0 74  LEU   AAA N   1 ? 6  
ATOM   4289 C CA  . LEU   C 1 75  ? 5.985  -14.187 -10.780 1.000 53.501  0 74  LEU   AAA CA  1 ? 6  
ATOM   4290 C C   . LEU   C 1 75  ? 5.672  -15.472 -10.011 1.000 50.631  0 74  LEU   AAA C   1 ? 6  
ATOM   4291 O O   . LEU   C 1 75  ? 5.549  -16.521 -10.665 1.000 51.882  0 74  LEU   AAA O   1 ? 6  
ATOM   4292 C CB  . LEU   C 1 75  ? 7.491  -13.890 -10.802 1.000 56.763  0 74  LEU   AAA CB  1 ? 6  
ATOM   4293 C CG  . LEU   C 1 75  ? 7.929  -12.813 -11.802 1.000 61.222  0 74  LEU   AAA CG  1 ? 6  
ATOM   4294 C CD1 . LEU   C 1 75  ? 9.372  -12.407 -11.552 1.000 65.293  0 74  LEU   AAA CD1 1 ? 6  
ATOM   4295 C CD2 . LEU   C 1 75  ? 7.761  -13.274 -13.243 1.000 62.393  0 74  LEU   AAA CD2 1 ? 6  
ATOM   4296 N N   . ASN   C 1 76  ? 5.565  -15.406 -8.680  1.000 48.910  0 75  ASN   AAA N   1 ? 6  
ATOM   4297 C CA  . ASN   C 1 76  ? 5.182  -16.573 -7.842  1.000 48.264  0 75  ASN   AAA CA  1 ? 6  
ATOM   4298 C C   . ASN   C 1 76  ? 3.750  -16.993 -8.210  1.000 49.548  0 75  ASN   AAA C   1 ? 6  
ATOM   4299 O O   . ASN   C 1 76  ? 3.515  -18.211 -8.376  1.000 50.981  0 75  ASN   AAA O   1 ? 6  
ATOM   4300 C CB  . ASN   C 1 76  ? 5.329  -16.289 -6.345  1.000 47.797  0 75  ASN   AAA CB  1 ? 6  
ATOM   4301 C CG  . ASN   C 1 76  ? 6.776  -16.157 -5.921  1.000 48.138  0 75  ASN   AAA CG  1 ? 6  
ATOM   4302 O OD1 . ASN   C 1 76  ? 7.667  -16.615 -6.620  1.000 48.851  0 75  ASN   AAA OD1 1 ? 6  
ATOM   4303 N ND2 . ASN   C 1 76  ? 7.029  -15.524 -4.786  1.000 49.232  0 75  ASN   AAA ND2 1 ? 6  
ATOM   4304 N N   . GLU   C 1 77  ? 2.838  -16.031 -8.355  1.000 48.543  0 76  GLU   AAA N   1 ? 6  
ATOM   4305 C CA  . GLU   C 1 77  ? 1.419  -16.299 -8.703  1.000 52.329  0 76  GLU   AAA CA  1 ? 6  
ATOM   4306 C C   . GLU   C 1 77  ? 1.333  -16.915 -10.104 1.000 55.069  0 76  GLU   AAA C   1 ? 6  
ATOM   4307 O O   . GLU   C 1 77  ? 0.544  -17.857 -10.283 1.000 56.282  0 76  GLU   AAA O   1 ? 6  
ATOM   4308 C CB  . GLU   C 1 77  ? 0.590  -15.021 -8.650  1.000 52.708  0 76  GLU   AAA CB  1 ? 6  
ATOM   4309 C CG  . GLU   C 1 77  ? 0.370  -14.496 -7.245  1.000 54.036  0 76  GLU   AAA CG  1 ? 6  
ATOM   4310 C CD  . GLU   C 1 77  ? -0.212 -13.096 -7.226  1.000 57.438  0 76  GLU   AAA CD  1 ? 6  
ATOM   4311 O OE1 . GLU   C 1 77  ? -0.147 -12.413 -8.269  1.000 57.330  0 76  GLU   AAA OE1 1 ? 6  
ATOM   4312 O OE2 . GLU   C 1 77  ? -0.756 -12.703 -6.185  1.000 62.676  0 76  GLU   AAA OE2 1 ? 6  
ATOM   4313 N N   . MET   C 1 78  ? 2.106  -16.392 -11.060 1.000 57.153  0 77  MET   AAA N   1 ? 6  
ATOM   4314 C CA  . MET   C 1 78  ? 2.157  -16.901 -12.452 1.000 57.201  0 77  MET   AAA CA  1 ? 6  
ATOM   4315 C C   . MET   C 1 78  ? 2.563  -18.366 -12.439 1.000 55.489  0 77  MET   AAA C   1 ? 6  
ATOM   4316 O O   . MET   C 1 78  ? 1.927  -19.179 -13.124 1.000 60.189  0 77  MET   AAA O   1 ? 6  
ATOM   4317 C CB  . MET   C 1 78  ? 3.178  -16.142 -13.294 1.000 59.936  0 77  MET   AAA CB  1 ? 6  
ATOM   4318 C CG  . MET   C 1 78  ? 2.663  -14.850 -13.801 1.000 63.310  0 77  MET   AAA CG  1 ? 6  
ATOM   4319 S SD  . MET   C 1 78  ? 3.902  -14.078 -14.852 1.000 69.010  0 77  MET   AAA SD  1 ? 6  
ATOM   4320 C CE  . MET   C 1 78  ? 3.686  -15.002 -16.367 1.000 70.639  0 77  MET   AAA CE  1 ? 6  
ATOM   4321 N N   A HIS   C 1 79  ? 3.632  -18.689 -11.701 0.500 52.692  0 78  HIS   AAA N   1 ? 6  
ATOM   4322 N N   B HIS   C 1 79  ? 3.575  -18.708 -11.666 0.500 54.470  0 78  HIS   AAA N   1 ? 6  
ATOM   4323 C CA  A HIS   C 1 79  ? 4.163  -20.071 -11.569 0.500 52.114  0 78  HIS   AAA CA  1 ? 6  
ATOM   4324 C CA  B HIS   C 1 79  ? 4.105  -20.086 -11.667 0.500 55.006  0 78  HIS   AAA CA  1 ? 6  
ATOM   4325 C C   A HIS   C 1 79  ? 3.085  -20.997 -10.982 0.500 52.500  0 78  HIS   AAA C   1 ? 6  
ATOM   4326 C C   B HIS   C 1 79  ? 3.145  -21.029 -10.916 0.500 54.179  0 78  HIS   AAA C   1 ? 6  
ATOM   4327 O O   A HIS   C 1 79  ? 2.989  -22.152 -11.433 0.500 54.298  0 78  HIS   AAA O   1 ? 6  
ATOM   4328 O O   B HIS   C 1 79  ? 3.201  -22.243 -11.168 0.500 55.709  0 78  HIS   AAA O   1 ? 6  
ATOM   4329 C CB  A HIS   C 1 79  ? 5.455  -20.077 -10.738 0.500 50.785  0 78  HIS   AAA CB  1 ? 6  
ATOM   4330 C CB  B HIS   C 1 79  ? 5.534  -20.071 -11.137 0.500 55.948  0 78  HIS   AAA CB  1 ? 6  
ATOM   4331 C CG  A HIS   C 1 79  ? 6.697  -19.978 -11.557 0.500 50.595  0 78  HIS   AAA CG  1 ? 6  
ATOM   4332 C CG  B HIS   C 1 79  ? 5.859  -21.358 -10.493 0.500 57.479  0 78  HIS   AAA CG  1 ? 6  
ATOM   4333 N ND1 A HIS   C 1 79  ? 7.415  -18.806 -11.696 0.500 50.251  0 78  HIS   AAA ND1 1 ? 6  
ATOM   4334 N ND1 B HIS   C 1 79  ? 5.533  -21.595 -9.186  0.500 59.215  0 78  HIS   AAA ND1 1 ? 6  
ATOM   4335 C CD2 A HIS   C 1 79  ? 7.342  -20.900 -12.293 0.500 50.936  0 78  HIS   AAA CD2 1 ? 6  
ATOM   4336 C CD2 B HIS   C 1 79  ? 6.389  -22.492 -10.986 0.500 59.735  0 78  HIS   AAA CD2 1 ? 6  
ATOM   4337 C CE1 A HIS   C 1 79  ? 8.453  -19.021 -12.481 0.500 51.586  0 78  HIS   AAA CE1 1 ? 6  
ATOM   4338 C CE1 B HIS   C 1 79  ? 5.886  -22.817 -8.875  0.500 62.359  0 78  HIS   AAA CE1 1 ? 6  
ATOM   4339 N NE2 A HIS   C 1 79  ? 8.426  -20.290 -12.863 0.500 51.959  0 78  HIS   AAA NE2 1 ? 6  
ATOM   4340 N NE2 B HIS   C 1 79  ? 6.418  -23.397 -9.963  0.500 62.225  0 78  HIS   AAA NE2 1 ? 6  
ATOM   4341 N N   . ALA   C 1 80  ? 2.300  -20.511 -10.019 1.000 52.846  0 79  ALA   AAA N   1 ? 6  
ATOM   4342 C CA  . ALA   C 1 80  ? 1.219  -21.295 -9.379  1.000 53.120  0 79  ALA   AAA CA  1 ? 6  
ATOM   4343 C C   . ALA   C 1 80  ? 0.072  -21.511 -10.386 1.000 54.109  0 79  ALA   AAA C   1 ? 6  
ATOM   4344 O O   . ALA   C 1 80  ? -0.456 -22.637 -10.440 1.000 53.808  0 79  ALA   AAA O   1 ? 6  
ATOM   4345 C CB  . ALA   C 1 80  ? 0.737  -20.613 -8.122  1.000 52.677  0 79  ALA   AAA CB  1 ? 6  
ATOM   4346 N N   . ALA   C 1 81  ? -0.258 -20.503 -11.203 1.000 54.607  0 80  ALA   AAA N   1 ? 6  
ATOM   4347 C CA  . ALA   C 1 81  ? -1.521 -20.431 -11.976 1.000 57.199  0 80  ALA   AAA CA  1 ? 6  
ATOM   4348 C C   . ALA   C 1 81  ? -1.340 -20.865 -13.433 1.000 58.078  0 80  ALA   AAA C   1 ? 6  
ATOM   4349 O O   . ALA   C 1 81  ? -2.339 -21.281 -14.010 1.000 60.357  0 80  ALA   AAA O   1 ? 6  
ATOM   4350 C CB  . ALA   C 1 81  ? -2.095 -19.037 -11.896 1.000 57.211  0 80  ALA   AAA CB  1 ? 6  
ATOM   4351 N N   . GLU   C 1 82  ? -0.139 -20.759 -14.008 1.000 59.571  0 81  GLU   AAA N   1 ? 6  
ATOM   4352 C CA  . GLU   C 1 82  ? 0.094  -20.919 -15.471 1.000 62.162  0 81  GLU   AAA CA  1 ? 6  
ATOM   4353 C C   . GLU   C 1 82  ? 0.969  -22.132 -15.761 1.000 64.016  0 81  GLU   AAA C   1 ? 6  
ATOM   4354 O O   . GLU   C 1 82  ? 2.175  -22.064 -15.587 1.000 63.809  0 81  GLU   AAA O   1 ? 6  
ATOM   4355 C CB  . GLU   C 1 82  ? 0.745  -19.662 -16.049 1.000 62.785  0 81  GLU   AAA CB  1 ? 6  
ATOM   4356 C CG  . GLU   C 1 82  ? -0.134 -18.437 -15.952 1.000 65.096  0 81  GLU   AAA CG  1 ? 6  
ATOM   4357 C CD  . GLU   C 1 82  ? -1.378 -18.438 -16.831 1.000 69.277  0 81  GLU   AAA CD  1 ? 6  
ATOM   4358 O OE1 . GLU   C 1 82  ? -1.373 -19.164 -17.853 1.000 70.807  0 81  GLU   AAA OE1 1 ? 6  
ATOM   4359 O OE2 . GLU   C 1 82  ? -2.357 -17.708 -16.491 1.000 71.583  0 81  GLU   AAA OE2 1 ? 6  
ATOM   4360 N N   . PRO   C 1 83  ? 0.396  -23.253 -16.260 1.000 69.947  0 82  PRO   AAA N   1 ? 6  
ATOM   4361 C CA  . PRO   C 1 83  ? 1.190  -24.414 -16.686 1.000 70.489  0 82  PRO   AAA CA  1 ? 6  
ATOM   4362 C C   . PRO   C 1 83  ? 2.316  -24.097 -17.688 1.000 72.638  0 82  PRO   AAA C   1 ? 6  
ATOM   4363 O O   . PRO   C 1 83  ? 3.323  -24.785 -17.678 1.000 71.507  0 82  PRO   AAA O   1 ? 6  
ATOM   4364 C CB  . PRO   C 1 83  ? 0.151  -25.318 -17.378 1.000 73.134  0 82  PRO   AAA CB  1 ? 6  
ATOM   4365 C CG  . PRO   C 1 83  ? -1.176 -24.930 -16.742 1.000 72.690  0 82  PRO   AAA CG  1 ? 6  
ATOM   4366 C CD  . PRO   C 1 83  ? -1.053 -23.446 -16.464 1.000 71.179  0 82  PRO   AAA CD  1 ? 6  
ATOM   4367 N N   . GLN   C 1 84  ? 2.105  -23.085 -18.536 1.000 74.377  0 83  GLN   AAA N   1 ? 6  
ATOM   4368 C CA  . GLN   C 1 84  ? 3.068  -22.590 -19.555 1.000 77.718  0 83  GLN   AAA CA  1 ? 6  
ATOM   4369 C C   . GLN   C 1 84  ? 4.335  -22.052 -18.872 1.000 76.789  0 83  GLN   AAA C   1 ? 6  
ATOM   4370 O O   . GLN   C 1 84  ? 5.428  -22.205 -19.463 1.000 78.340  0 83  GLN   AAA O   1 ? 6  
ATOM   4371 C CB  . GLN   C 1 84  ? 2.383  -21.512 -20.399 1.000 81.902  0 83  GLN   AAA CB  1 ? 6  
ATOM   4372 C CG  . GLN   C 1 84  ? 3.167  -21.054 -21.623 1.000 87.633  0 83  GLN   AAA CG  1 ? 6  
ATOM   4373 C CD  . GLN   C 1 84  ? 2.299  -20.248 -22.569 1.000 94.077  0 83  GLN   AAA CD  1 ? 6  
ATOM   4374 O OE1 . GLN   C 1 84  ? 1.150  -20.597 -22.845 1.000 93.858  0 83  GLN   AAA OE1 1 ? 6  
ATOM   4375 N NE2 . GLN   C 1 84  ? 2.840  -19.148 -23.074 1.000 97.147  0 83  GLN   AAA NE2 1 ? 6  
ATOM   4376 N N   . MET   C 1 85  ? 4.205  -21.444 -17.683 1.000 73.263  0 84  MET   AAA N   1 ? 6  
ATOM   4377 C CA  . MET   C 1 85  ? 5.342  -20.868 -16.910 1.000 72.095  0 84  MET   AAA CA  1 ? 6  
ATOM   4378 C C   . MET   C 1 85  ? 6.252  -22.011 -16.445 1.000 70.232  0 84  MET   AAA C   1 ? 6  
ATOM   4379 O O   . MET   C 1 85  ? 7.466  -21.906 -16.647 1.000 69.139  0 84  MET   AAA O   1 ? 6  
ATOM   4380 C CB  . MET   C 1 85  ? 4.847  -20.057 -15.705 1.000 72.258  0 84  MET   AAA CB  1 ? 6  
ATOM   4381 C CG  . MET   C 1 85  ? 5.915  -19.199 -15.024 1.000 74.044  0 84  MET   AAA CG  1 ? 6  
ATOM   4382 S SD  . MET   C 1 85  ? 6.267  -17.644 -15.892 1.000 77.073  0 84  MET   AAA SD  1 ? 6  
ATOM   4383 C CE  . MET   C 1 85  ? 7.454  -16.882 -14.791 1.000 77.243  0 84  MET   AAA CE  1 ? 6  
ATOM   4384 N N   . ARG   C 1 86  ? 5.674  -23.080 -15.889 1.000 69.969  0 85  ARG   AAA N   1 ? 7  
ATOM   4385 C CA  . ARG   C 1 86  ? 6.407  -24.262 -15.364 1.000 70.487  0 85  ARG   AAA CA  1 ? 7  
ATOM   4386 C C   . ARG   C 1 86  ? 7.140  -24.977 -16.505 1.000 72.984  0 85  ARG   AAA C   1 ? 7  
ATOM   4387 O O   . ARG   C 1 86  ? 8.257  -25.460 -16.257 1.000 70.923  0 85  ARG   AAA O   1 ? 7  
ATOM   4388 C CB  . ARG   C 1 86  ? 5.452  -25.205 -14.633 1.000 72.818  0 85  ARG   AAA CB  1 ? 7  
ATOM   4389 C CG  . ARG   C 1 86  ? 4.697  -24.513 -13.514 1.000 77.176  0 85  ARG   AAA CG  1 ? 7  
ATOM   4390 C CD  . ARG   C 1 86  ? 4.104  -25.447 -12.480 1.000 81.191  0 85  ARG   AAA CD  1 ? 7  
ATOM   4391 N NE  . ARG   C 1 86  ? 2.753  -25.006 -12.184 1.000 86.268  0 85  ARG   AAA NE  1 ? 7  
ATOM   4392 C CZ  . ARG   C 1 86  ? 1.672  -25.306 -12.895 1.000 89.796  0 85  ARG   AAA CZ  1 ? 7  
ATOM   4393 N NH1 . ARG   C 1 86  ? 1.750  -26.126 -13.929 1.000 91.622  0 85  ARG   AAA NH1 1 ? 7  
ATOM   4394 N NH2 . ARG   C 1 86  ? 0.500  -24.810 -12.547 1.000 94.619  0 85  ARG   AAA NH2 1 ? 7  
ATOM   4395 N N   . GLU   C 1 87  ? 6.543  -25.051 -17.696 1.000 75.422  0 86  GLU   AAA N   1 ? 7  
ATOM   4396 C CA  . GLU   C 1 87  ? 7.163  -25.638 -18.920 1.000 78.163  0 86  GLU   AAA CA  1 ? 7  
ATOM   4397 C C   . GLU   C 1 87  ? 8.377  -24.809 -19.343 1.000 74.345  0 86  GLU   AAA C   1 ? 7  
ATOM   4398 O O   . GLU   C 1 87  ? 9.461  -25.393 -19.480 1.000 70.543  0 86  GLU   AAA O   1 ? 7  
ATOM   4399 C CB  . GLU   C 1 87  ? 6.145  -25.719 -20.061 1.000 85.735  0 86  GLU   AAA CB  1 ? 7  
ATOM   4400 C CG  . GLU   C 1 87  ? 5.167  -26.875 -19.889 1.000 91.248  0 86  GLU   AAA CG  1 ? 7  
ATOM   4401 C CD  . GLU   C 1 87  ? 5.844  -28.236 -19.782 1.000 95.278  0 86  GLU   AAA CD  1 ? 7  
ATOM   4402 O OE1 . GLU   C 1 87  ? 6.618  -28.568 -20.713 1.000 95.409  0 86  GLU   AAA OE1 1 ? 7  
ATOM   4403 O OE2 . GLU   C 1 87  ? 5.641  -28.936 -18.749 1.000 95.987  0 86  GLU   AAA OE2 1 ? 7  
ATOM   4404 N N   . GLN   C 1 88  ? 8.186  -23.498 -19.513 1.000 75.981  0 87  GLN   AAA N   1 ? 7  
ATOM   4405 C CA  . GLN   C 1 88  ? 9.219  -22.507 -19.936 1.000 77.997  0 87  GLN   AAA CA  1 ? 7  
ATOM   4406 C C   . GLN   C 1 88  ? 10.454 -22.580 -19.007 1.000 75.166  0 87  GLN   AAA C   1 ? 7  
ATOM   4407 O O   . GLN   C 1 88  ? 11.583 -22.615 -19.547 1.000 77.291  0 87  GLN   AAA O   1 ? 7  
ATOM   4408 C CB  . GLN   C 1 88  ? 8.577  -21.113 -19.976 1.000 82.112  0 87  GLN   AAA CB  1 ? 7  
ATOM   4409 C CG  . GLN   C 1 88  ? 9.494  -19.980 -20.436 1.000 87.392  0 87  GLN   AAA CG  1 ? 7  
ATOM   4410 C CD  . GLN   C 1 88  ? 8.788  -18.646 -20.472 1.000 92.040  0 87  GLN   AAA CD  1 ? 7  
ATOM   4411 O OE1 . GLN   C 1 88  ? 7.959  -18.394 -21.346 1.000 95.757  0 87  GLN   AAA OE1 1 ? 7  
ATOM   4412 N NE2 . GLN   C 1 88  ? 9.106  -17.774 -19.524 1.000 93.159  0 87  GLN   AAA NE2 1 ? 7  
ATOM   4413 N N   . THR   C 1 89  ? 10.264 -22.584 -17.675 1.000 68.470  0 88  THR   AAA N   1 ? 7  
ATOM   4414 C CA  . THR   C 1 89  ? 11.336 -22.333 -16.672 1.000 64.071  0 88  THR   AAA CA  1 ? 7  
ATOM   4415 C C   . THR   C 1 89  ? 11.862 -23.628 -16.032 1.000 61.073  0 88  THR   AAA C   1 ? 7  
ATOM   4416 O O   . THR   C 1 89  ? 13.052 -23.664 -15.675 1.000 62.271  0 88  THR   AAA O   1 ? 7  
ATOM   4417 C CB  . THR   C 1 89  ? 10.862 -21.364 -15.582 1.000 64.184  0 88  THR   AAA CB  1 ? 7  
ATOM   4418 O OG1 . THR   C 1 89  ? 9.898  -22.024 -14.764 1.000 58.989  0 88  THR   AAA OG1 1 ? 7  
ATOM   4419 C CG2 . THR   C 1 89  ? 10.292 -20.077 -16.144 1.000 66.426  0 88  THR   AAA CG2 1 ? 7  
ATOM   4420 N N   . GLY   C 1 90  ? 11.026 -24.646 -15.855 1.000 58.492  0 89  GLY   AAA N   1 ? 7  
ATOM   4421 C CA  . GLY   C 1 90  ? 11.380 -25.852 -15.070 1.000 56.141  0 89  GLY   AAA CA  1 ? 7  
ATOM   4422 C C   . GLY   C 1 90  ? 11.190 -25.654 -13.566 1.000 53.566  0 89  GLY   AAA C   1 ? 7  
ATOM   4423 O O   . GLY   C 1 90  ? 11.325 -26.651 -12.834 1.000 55.488  0 89  GLY   AAA O   1 ? 7  
ATOM   4424 N N   . VAL   C 1 91  ? 10.805 -24.454 -13.129 1.000 51.601  0 90  VAL   AAA N   1 ? 7  
ATOM   4425 C CA  . VAL   C 1 91  ? 10.618 -24.090 -11.691 1.000 51.954  0 90  VAL   AAA CA  1 ? 7  
ATOM   4426 C C   . VAL   C 1 91  ? 9.238  -24.570 -11.218 1.000 55.154  0 90  VAL   AAA C   1 ? 7  
ATOM   4427 O O   . VAL   C 1 91  ? 8.256  -24.137 -11.789 1.000 57.484  0 90  VAL   AAA O   1 ? 7  
ATOM   4428 C CB  . VAL   C 1 91  ? 10.772 -22.571 -11.481 1.000 50.858  0 90  VAL   AAA CB  1 ? 7  
ATOM   4429 C CG1 . VAL   C 1 91  ? 10.567 -22.172 -10.027 1.000 51.428  0 90  VAL   AAA CG1 1 ? 7  
ATOM   4430 C CG2 . VAL   C 1 91  ? 12.099 -22.041 -11.999 1.000 50.648  0 90  VAL   AAA CG2 1 ? 7  
ATOM   4431 N N   . THR   C 1 92  ? 9.185  -25.468 -10.234 1.000 58.331  0 91  THR   AAA N   1 ? 7  
ATOM   4432 C CA  . THR   C 1 92  ? 7.939  -26.020 -9.614  1.000 61.229  0 91  THR   AAA CA  1 ? 7  
ATOM   4433 C C   . THR   C 1 92  ? 7.695  -25.351 -8.265  1.000 62.098  0 91  THR   AAA C   1 ? 7  
ATOM   4434 O O   . THR   C 1 92  ? 8.617  -24.802 -7.665  1.000 61.321  0 91  THR   AAA O   1 ? 7  
ATOM   4435 C CB  . THR   C 1 92  ? 8.016  -27.544 -9.467  1.000 62.561  0 91  THR   AAA CB  1 ? 7  
ATOM   4436 O OG1 . THR   C 1 92  ? 9.079  -27.875 -8.572  1.000 61.251  0 91  THR   AAA OG1 1 ? 7  
ATOM   4437 C CG2 . THR   C 1 92  ? 8.218  -28.232 -10.801 1.000 63.808  0 91  THR   AAA CG2 1 ? 7  
ATOM   4438 N N   . PRO   C 1 93  ? 6.453  -25.374 -7.723  1.000 66.094  0 92  PRO   AAA N   1 ? 7  
ATOM   4439 C CA  . PRO   C 1 93  ? 6.188  -24.795 -6.401  1.000 65.892  0 92  PRO   AAA CA  1 ? 7  
ATOM   4440 C C   . PRO   C 1 93  ? 6.991  -25.486 -5.292  1.000 63.226  0 92  PRO   AAA C   1 ? 7  
ATOM   4441 O O   . PRO   C 1 93  ? 7.359  -24.814 -4.375  1.000 64.153  0 92  PRO   AAA O   1 ? 7  
ATOM   4442 C CB  . PRO   C 1 93  ? 4.675  -24.975 -6.192  1.000 70.212  0 92  PRO   AAA CB  1 ? 7  
ATOM   4443 C CG  . PRO   C 1 93  ? 4.130  -25.219 -7.584  1.000 70.638  0 92  PRO   AAA CG  1 ? 7  
ATOM   4444 C CD  . PRO   C 1 93  ? 5.238  -25.937 -8.333  1.000 68.101  0 92  PRO   AAA CD  1 ? 7  
ATOM   4445 N N   . GLU   C 1 94  ? 7.239  -26.790 -5.419  1.000 61.476  0 93  GLU   AAA N   1 ? 8  
ATOM   4446 C CA  . GLU   C 1 94  ? 8.085  -27.585 -4.491  1.000 63.289  0 93  GLU   AAA CA  1 ? 8  
ATOM   4447 C C   . GLU   C 1 94  ? 9.498  -26.995 -4.495  1.000 58.358  0 93  GLU   AAA C   1 ? 8  
ATOM   4448 O O   . GLU   C 1 94  ? 10.112 -26.921 -3.430  1.000 56.585  0 93  GLU   AAA O   1 ? 8  
ATOM   4449 C CB  . GLU   C 1 94  ? 8.143  -29.059 -4.899  1.000 69.213  0 93  GLU   AAA CB  1 ? 8  
ATOM   4450 C CG  . GLU   C 1 94  ? 6.829  -29.809 -4.742  1.000 76.386  0 93  GLU   AAA CG  1 ? 8  
ATOM   4451 C CD  . GLU   C 1 94  ? 5.864  -29.720 -5.920  1.000 79.684  0 93  GLU   AAA CD  1 ? 8  
ATOM   4452 O OE1 . GLU   C 1 94  ? 6.328  -29.467 -7.063  1.000 79.170  0 93  GLU   AAA OE1 1 ? 8  
ATOM   4453 O OE2 . GLU   C 1 94  ? 4.642  -29.890 -5.690  1.000 85.621  0 93  GLU   AAA OE2 1 ? 8  
ATOM   4454 N N   . MET   C 1 95  ? 9.987  -26.610 -5.670  1.000 54.911  0 94  MET   AAA N   1 ? 8  
ATOM   4455 C CA  . MET   C 1 95  ? 11.350 -26.051 -5.873  1.000 51.995  0 94  MET   AAA CA  1 ? 8  
ATOM   4456 C C   . MET   C 1 95  ? 11.439 -24.678 -5.207  1.000 47.983  0 94  MET   AAA C   1 ? 8  
ATOM   4457 O O   . MET   C 1 95  ? 12.415 -24.439 -4.495  1.000 46.451  0 94  MET   AAA O   1 ? 8  
ATOM   4458 C CB  . MET   C 1 95  ? 11.657 -25.899 -7.363  1.000 50.851  0 94  MET   AAA CB  1 ? 8  
ATOM   4459 C CG  . MET   C 1 95  ? 13.102 -25.734 -7.651  1.000 51.152  0 94  MET   AAA CG  1 ? 8  
ATOM   4460 S SD  . MET   C 1 95  ? 13.370 -25.595 -9.413  1.000 52.476  0 94  MET   AAA SD  1 ? 8  
ATOM   4461 C CE  . MET   C 1 95  ? 13.314 -27.329 -9.858  1.000 52.873  0 94  MET   AAA CE  1 ? 8  
ATOM   4462 N N   . ILE   C 1 96  ? 10.442 -23.820 -5.427  1.000 47.641  0 95  ILE   AAA N   1 ? 8  
ATOM   4463 C CA  . ILE   C 1 96  ? 10.384 -22.477 -4.789  1.000 48.721  0 95  ILE   AAA CA  1 ? 8  
ATOM   4464 C C   . ILE   C 1 96  ? 10.388 -22.663 -3.265  1.000 49.906  0 95  ILE   AAA C   1 ? 8  
ATOM   4465 O O   . ILE   C 1 96  ? 11.089 -21.894 -2.589  1.000 48.284  0 95  ILE   AAA O   1 ? 8  
ATOM   4466 C CB  . ILE   C 1 96  ? 9.182  -21.672 -5.315  1.000 49.609  0 95  ILE   AAA CB  1 ? 8  
ATOM   4467 C CG1 . ILE   C 1 96  ? 9.413  -21.276 -6.779  1.000 51.561  0 95  ILE   AAA CG1 1 ? 8  
ATOM   4468 C CG2 . ILE   C 1 96  ? 8.907  -20.468 -4.438  1.000 48.849  0 95  ILE   AAA CG2 1 ? 8  
ATOM   4469 C CD1 . ILE   C 1 96  ? 8.228  -20.603 -7.436  1.000 55.000  0 95  ILE   AAA CD1 1 ? 8  
ATOM   4470 N N   . ASP   C 1 97  ? 9.667  -23.665 -2.751  1.000 50.825  0 96  ASP   AAA N   1 ? 8  
ATOM   4471 C CA  . ASP   C 1 97  ? 9.567  -23.962 -1.299  1.000 52.943  0 96  ASP   AAA CA  1 ? 8  
ATOM   4472 C C   . ASP   C 1 97  ? 10.935 -24.421 -0.777  1.000 49.926  0 96  ASP   AAA C   1 ? 8  
ATOM   4473 O O   . ASP   C 1 97  ? 11.348 -23.946 0.302   1.000 50.134  0 96  ASP   AAA O   1 ? 8  
ATOM   4474 C CB  . ASP   C 1 97  ? 8.495  -25.014 -1.001  1.000 57.334  0 96  ASP   AAA CB  1 ? 8  
ATOM   4475 C CG  . ASP   C 1 97  ? 8.287  -25.190 0.493   1.000 63.453  0 96  ASP   AAA CG  1 ? 8  
ATOM   4476 O OD1 . ASP   C 1 97  ? 7.828  -24.208 1.131   1.000 65.207  0 96  ASP   AAA OD1 1 ? 8  
ATOM   4477 O OD2 . ASP   C 1 97  ? 8.648  -26.273 1.021   1.000 66.259  0 96  ASP   AAA OD2 1 ? 8  
ATOM   4478 N N   . PHE   C 1 98  ? 11.614 -25.306 -1.507  1.000 47.725  0 97  PHE   AAA N   1 ? 8  
ATOM   4479 C CA  . PHE   C 1 98  ? 12.953 -25.819 -1.138  1.000 48.055  0 97  PHE   AAA CA  1 ? 8  
ATOM   4480 C C   . PHE   C 1 98  ? 13.916 -24.628 -1.035  1.000 46.269  0 97  PHE   AAA C   1 ? 8  
ATOM   4481 O O   . PHE   C 1 98  ? 14.607 -24.477 -0.008  1.000 44.658  0 97  PHE   AAA O   1 ? 8  
ATOM   4482 C CB  . PHE   C 1 98  ? 13.437 -26.881 -2.127  1.000 49.529  0 97  PHE   AAA CB  1 ? 8  
ATOM   4483 C CG  . PHE   C 1 98  ? 14.863 -27.306 -1.893  1.000 50.444  0 97  PHE   AAA CG  1 ? 8  
ATOM   4484 C CD1 . PHE   C 1 98  ? 15.205 -28.082 -0.800  1.000 52.974  0 97  PHE   AAA CD1 1 ? 8  
ATOM   4485 C CD2 . PHE   C 1 98  ? 15.871 -26.897 -2.755  1.000 51.761  0 97  PHE   AAA CD2 1 ? 8  
ATOM   4486 C CE1 . PHE   C 1 98  ? 16.528 -28.428 -0.561  1.000 54.696  0 97  PHE   AAA CE1 1 ? 8  
ATOM   4487 C CE2 . PHE   C 1 98  ? 17.191 -27.241 -2.514  1.000 53.154  0 97  PHE   AAA CE2 1 ? 8  
ATOM   4488 C CZ  . PHE   C 1 98  ? 17.517 -28.020 -1.428  1.000 54.004  0 97  PHE   AAA CZ  1 ? 8  
ATOM   4489 N N   . ILE   C 1 99  ? 13.934 -23.782 -2.069  1.000 42.105  0 98  ILE   AAA N   1 ? 9  
ATOM   4490 C CA  . ILE   C 1 99  ? 14.811 -22.575 -2.142  1.000 39.595  0 98  ILE   AAA CA  1 ? 9  
ATOM   4491 C C   . ILE   C 1 99  ? 14.432 -21.620 -1.006  1.000 40.567  0 98  ILE   AAA C   1 ? 9  
ATOM   4492 O O   . ILE   C 1 99  ? 15.343 -21.077 -0.374  1.000 39.756  0 98  ILE   AAA O   1 ? 9  
ATOM   4493 C CB  . ILE   C 1 99  ? 14.728 -21.918 -3.527  1.000 39.965  0 98  ILE   AAA CB  1 ? 9  
ATOM   4494 C CG1 . ILE   C 1 99  ? 15.347 -22.806 -4.607  1.000 41.595  0 98  ILE   AAA CG1 1 ? 9  
ATOM   4495 C CG2 . ILE   C 1 99  ? 15.350 -20.532 -3.504  1.000 41.259  0 98  ILE   AAA CG2 1 ? 9  
ATOM   4496 C CD1 . ILE   C 1 99  ? 16.838 -23.033 -4.441  1.000 43.628  0 98  ILE   AAA CD1 1 ? 9  
ATOM   4497 N N   . THR   C 1 100 ? 13.141 -21.465 -0.708  1.000 43.352  0 99  THR   AAA N   1 ? 9  
ATOM   4498 C CA  . THR   C 1 100 ? 12.648 -20.583 0.384   1.000 42.529  0 99  THR   AAA CA  1 ? 9  
ATOM   4499 C C   . THR   C 1 100 ? 13.229 -21.057 1.718   1.000 42.529  0 99  THR   AAA C   1 ? 9  
ATOM   4500 O O   . THR   C 1 100 ? 13.739 -20.210 2.456   1.000 46.218  0 99  THR   AAA O   1 ? 9  
ATOM   4501 C CB  . THR   C 1 100 ? 11.113 -20.501 0.386   1.000 44.060  0 99  THR   AAA CB  1 ? 9  
ATOM   4502 O OG1 . THR   C 1 100 ? 10.696 -19.975 -0.872  1.000 42.630  0 99  THR   AAA OG1 1 ? 9  
ATOM   4503 C CG2 . THR   C 1 100 ? 10.581 -19.599 1.474   1.000 43.710  0 99  THR   AAA CG2 1 ? 9  
ATOM   4504 N N   . ARG   C 1 101 ? 13.177 -22.358 1.999   1.000 43.081  0 100 ARG   AAA N   1 ? 9  
ATOM   4505 C CA  . ARG   C 1 101 ? 13.686 -22.950 3.268   1.000 43.082  0 100 ARG   AAA CA  1 ? 9  
ATOM   4506 C C   . ARG   C 1 101 ? 15.221 -22.880 3.330   1.000 42.655  0 100 ARG   AAA C   1 ? 9  
ATOM   4507 O O   . ARG   C 1 101 ? 15.754 -22.516 4.399   1.000 42.993  0 100 ARG   AAA O   1 ? 9  
ATOM   4508 C CB  . ARG   C 1 101 ? 13.149 -24.372 3.432   1.000 46.302  0 100 ARG   AAA CB  1 ? 9  
ATOM   4509 C CG  . ARG   C 1 101 ? 11.665 -24.400 3.768   1.000 49.491  0 100 ARG   AAA CG  1 ? 9  
ATOM   4510 C CD  . ARG   C 1 101 ? 11.111 -25.791 3.999   1.000 52.687  0 100 ARG   AAA CD  1 ? 9  
ATOM   4511 N NE  . ARG   C 1 101 ? 10.977 -26.562 2.771   1.000 54.306  0 100 ARG   AAA NE  1 ? 9  
ATOM   4512 C CZ  . ARG   C 1 101 ? 11.784 -27.544 2.372   1.000 55.343  0 100 ARG   AAA CZ  1 ? 9  
ATOM   4513 N NH1 . ARG   C 1 101 ? 12.836 -27.898 3.090   1.000 54.871  0 100 ARG   AAA NH1 1 ? 9  
ATOM   4514 N NH2 . ARG   C 1 101 ? 11.526 -28.176 1.235   1.000 58.807  0 100 ARG   AAA NH2 1 ? 9  
ATOM   4515 N N   . ALA   C 1 102 ? 15.923 -23.186 2.239   1.000 42.333  0 101 ALA   AAA N   1 ? 9  
ATOM   4516 C CA  . ALA   C 1 102 ? 17.402 -23.098 2.183   1.000 42.183  0 101 ALA   AAA CA  1 ? 9  
ATOM   4517 C C   . ALA   C 1 102 ? 17.832 -21.641 2.379   1.000 40.995  0 101 ALA   AAA C   1 ? 9  
ATOM   4518 O O   . ALA   C 1 102 ? 18.841 -21.398 3.064   1.000 42.583  0 101 ALA   AAA O   1 ? 9  
ATOM   4519 C CB  . ALA   C 1 102 ? 17.930 -23.652 0.876   1.000 44.266  0 101 ALA   AAA CB  1 ? 9  
ATOM   4520 N N   . PHE   C 1 103 ? 17.099 -20.688 1.805   1.000 42.128  0 102 PHE   AAA N   1 ? 9  
ATOM   4521 C CA  . PHE   C 1 103 ? 17.418 -19.241 1.917   1.000 41.330  0 102 PHE   AAA CA  1 ? 9  
ATOM   4522 C C   . PHE   C 1 103 ? 17.268 -18.806 3.375   1.000 41.104  0 102 PHE   AAA C   1 ? 9  
ATOM   4523 O O   . PHE   C 1 103 ? 18.148 -18.088 3.894   1.000 42.274  0 102 PHE   AAA O   1 ? 9  
ATOM   4524 C CB  . PHE   C 1 103 ? 16.555 -18.419 0.964   1.000 42.905  0 102 PHE   AAA CB  1 ? 9  
ATOM   4525 C CG  . PHE   C 1 103 ? 16.945 -16.974 0.846   1.000 43.838  0 102 PHE   AAA CG  1 ? 9  
ATOM   4526 C CD1 . PHE   C 1 103 ? 18.223 -16.611 0.466   1.000 46.023  0 102 PHE   AAA CD1 1 ? 9  
ATOM   4527 C CD2 . PHE   C 1 103 ? 16.014 -15.979 1.086   1.000 48.387  0 102 PHE   AAA CD2 1 ? 9  
ATOM   4528 C CE1 . PHE   C 1 103 ? 18.565 -15.274 0.328   1.000 49.422  0 102 PHE   AAA CE1 1 ? 9  
ATOM   4529 C CE2 . PHE   C 1 103 ? 16.354 -14.644 0.952   1.000 51.093  0 102 PHE   AAA CE2 1 ? 9  
ATOM   4530 C CZ  . PHE   C 1 103 ? 17.627 -14.292 0.567   1.000 50.928  0 102 PHE   AAA CZ  1 ? 9  
ATOM   4531 N N   . ALA   C 1 104 ? 16.202 -19.247 4.038   1.000 40.276  0 103 ALA   AAA N   1 ? 9  
ATOM   4532 C CA  . ALA   C 1 104 ? 15.992 -19.036 5.492   1.000 40.032  0 103 ALA   AAA CA  1 ? 9  
ATOM   4533 C C   . ALA   C 1 104 ? 17.199 -19.586 6.278   1.000 40.414  0 103 ALA   AAA C   1 ? 9  
ATOM   4534 O O   . ALA   C 1 104 ? 17.708 -18.877 7.159   1.000 43.592  0 103 ALA   AAA O   1 ? 9  
ATOM   4535 C CB  . ALA   C 1 104 ? 14.702 -19.692 5.914   1.000 38.898  0 103 ALA   AAA CB  1 ? 9  
ATOM   4536 N N   . GLU   C 1 105 ? 17.665 -20.794 5.949   1.000 40.096  0 104 GLU   AAA N   1 ? 9  
ATOM   4537 C CA  . GLU   C 1 105 ? 18.834 -21.411 6.625   1.000 41.947  0 104 GLU   AAA CA  1 ? 9  
ATOM   4538 C C   . GLU   C 1 105 ? 20.081 -20.536 6.431   1.000 39.966  0 104 GLU   AAA C   1 ? 9  
ATOM   4539 O O   . GLU   C 1 105 ? 20.904 -20.485 7.356   1.000 41.968  0 104 GLU   AAA O   1 ? 9  
ATOM   4540 C CB  . GLU   C 1 105 ? 19.101 -22.829 6.132   1.000 42.576  0 104 GLU   AAA CB  1 ? 9  
ATOM   4541 C CG  . GLU   C 1 105 ? 18.005 -23.808 6.497   1.000 46.820  0 104 GLU   AAA CG  1 ? 9  
ATOM   4542 C CD  . GLU   C 1 105 ? 17.816 -24.084 7.982   1.000 48.985  0 104 GLU   AAA CD  1 ? 9  
ATOM   4543 O OE1 . GLU   C 1 105 ? 18.706 -23.732 8.785   1.000 49.663  0 104 GLU   AAA OE1 1 ? 9  
ATOM   4544 O OE2 . GLU   C 1 105 ? 16.782 -24.690 8.329   1.000 51.621  0 104 GLU   AAA OE2 1 ? 9  
ATOM   4545 N N   . SER   C 1 106 ? 20.224 -19.881 5.284   1.000 41.023  0 105 SER   AAA N   1 ? 9  
ATOM   4546 C CA  . SER   C 1 106 ? 21.400 -19.026 4.984   1.000 44.192  0 105 SER   AAA CA  1 ? 9  
ATOM   4547 C C   . SER   C 1 106 ? 21.388 -17.827 5.939   1.000 44.450  0 105 SER   AAA C   1 ? 9  
ATOM   4548 O O   . SER   C 1 106 ? 22.466 -17.427 6.365   1.000 46.384  0 105 SER   AAA O   1 ? 9  
ATOM   4549 C CB  . SER   C 1 106 ? 21.450 -18.596 3.541   1.000 45.427  0 105 SER   AAA CB  1 ? 9  
ATOM   4550 O OG  . SER   C 1 106 ? 20.569 -17.504 3.289   1.000 48.992  0 105 SER   AAA OG  1 ? 9  
ATOM   4551 N N   . LYS   C 1 107 ? 20.209 -17.297 6.278   1.000 43.566  0 106 LYS   AAA N   1 ? 9  
ATOM   4552 C CA  . LYS   C 1 107 ? 20.074 -16.167 7.235   1.000 42.948  0 106 LYS   AAA CA  1 ? 9  
ATOM   4553 C C   . LYS   C 1 107 ? 20.301 -16.684 8.661   1.000 41.557  0 106 LYS   AAA C   1 ? 9  
ATOM   4554 O O   . LYS   C 1 107 ? 21.038 -16.035 9.400   1.000 42.052  0 106 LYS   AAA O   1 ? 9  
ATOM   4555 C CB  . LYS   C 1 107 ? 18.698 -15.507 7.121   1.000 44.102  0 106 LYS   AAA CB  1 ? 9  
ATOM   4556 C CG  . LYS   C 1 107 ? 18.331 -15.000 5.735   1.000 44.610  0 106 LYS   AAA CG  1 ? 9  
ATOM   4557 C CD  . LYS   C 1 107 ? 19.364 -14.088 5.122   1.000 47.873  0 106 LYS   AAA CD  1 ? 9  
ATOM   4558 C CE  . LYS   C 1 107 ? 18.932 -13.549 3.774   1.000 51.458  0 106 LYS   AAA CE  1 ? 9  
ATOM   4559 N NZ  . LYS   C 1 107 ? 20.092 -13.232 2.908   1.000 52.517  0 106 LYS   AAA NZ  1 ? 9  
ATOM   4560 N N   . LEU   C 1 108 ? 19.683 -17.805 9.027   1.000 39.225  0 107 LEU   AAA N   1 ? 9  
ATOM   4561 C CA  . LEU   C 1 108 ? 19.779 -18.387 10.389  1.000 40.134  0 107 LEU   AAA CA  1 ? 9  
ATOM   4562 C C   . LEU   C 1 108 ? 21.227 -18.772 10.696  1.000 39.056  0 107 LEU   AAA C   1 ? 9  
ATOM   4563 O O   . LEU   C 1 108 ? 21.633 -18.639 11.855  1.000 41.153  0 107 LEU   AAA O   1 ? 9  
ATOM   4564 C CB  . LEU   C 1 108 ? 18.828 -19.581 10.498  1.000 40.796  0 107 LEU   AAA CB  1 ? 9  
ATOM   4565 C CG  . LEU   C 1 108 ? 17.346 -19.205 10.464  1.000 41.104  0 107 LEU   AAA CG  1 ? 9  
ATOM   4566 C CD1 . LEU   C 1 108 ? 16.475 -20.410 10.184  1.000 42.093  0 107 LEU   AAA CD1 1 ? 9  
ATOM   4567 C CD2 . LEU   C 1 108 ? 16.927 -18.549 11.760  1.000 42.719  0 107 LEU   AAA CD2 1 ? 9  
ATOM   4568 N N   . ALA   C 1 109 ? 22.001 -19.216 9.706   1.000 40.529  0 108 ALA   AAA N   1 ? 9  
ATOM   4569 C CA  . ALA   C 1 109 ? 23.414 -19.624 9.927   1.000 41.855  0 108 ALA   AAA CA  1 ? 9  
ATOM   4570 C C   . ALA   C 1 109 ? 24.249 -18.392 10.310  1.000 42.671  0 108 ALA   AAA C   1 ? 9  
ATOM   4571 O O   . ALA   C 1 109 ? 25.177 -18.540 11.131  1.000 45.343  0 108 ALA   AAA O   1 ? 9  
ATOM   4572 C CB  . ALA   C 1 109 ? 23.974 -20.328 8.715   1.000 42.690  0 108 ALA   AAA CB  1 ? 9  
ATOM   4573 N N   . ILE   C 1 110 ? 23.934 -17.220 9.747   1.000 42.287  0 109 ILE   AAA N   1 ? 9  
ATOM   4574 C CA  . ILE   C 1 110 ? 24.623 -15.937 10.081  1.000 41.702  0 109 ILE   AAA CA  1 ? 9  
ATOM   4575 C C   . ILE   C 1 110 ? 24.123 -15.468 11.448  1.000 42.361  0 109 ILE   AAA C   1 ? 9  
ATOM   4576 O O   . ILE   C 1 110 ? 24.950 -15.151 12.320  1.000 43.624  0 109 ILE   AAA O   1 ? 9  
ATOM   4577 C CB  . ILE   C 1 110 ? 24.413 -14.879 8.983   1.000 42.906  0 109 ILE   AAA CB  1 ? 9  
ATOM   4578 C CG1 . ILE   C 1 110 ? 25.127 -15.278 7.688   1.000 45.256  0 109 ILE   AAA CG1 1 ? 9  
ATOM   4579 C CG2 . ILE   C 1 110 ? 24.876 -13.511 9.456   1.000 45.841  0 109 ILE   AAA CG2 1 ? 9  
ATOM   4580 C CD1 . ILE   C 1 110 ? 24.667 -14.510 6.465   1.000 46.079  0 109 ILE   AAA CD1 1 ? 9  
ATOM   4581 N N   . TRP   C 1 111 ? 22.812 -15.427 11.651  1.000 40.868  0 110 TRP   AAA N   1 ? 9  
ATOM   4582 C CA  . TRP   C 1 111 ? 22.225 -14.937 12.922  1.000 40.927  0 110 TRP   AAA CA  1 ? 9  
ATOM   4583 C C   . TRP   C 1 111 ? 22.732 -15.751 14.106  1.000 39.896  0 110 TRP   AAA C   1 ? 9  
ATOM   4584 O O   . TRP   C 1 111 ? 22.805 -15.168 15.195  1.000 41.637  0 110 TRP   AAA O   1 ? 9  
ATOM   4585 C CB  . TRP   C 1 111 ? 20.700 -14.933 12.839  1.000 40.133  0 110 TRP   AAA CB  1 ? 9  
ATOM   4586 C CG  . TRP   C 1 111 ? 20.153 -13.771 12.079  1.000 41.020  0 110 TRP   AAA CG  1 ? 9  
ATOM   4587 C CD1 . TRP   C 1 111 ? 20.651 -12.503 12.025  1.000 42.454  0 110 TRP   AAA CD1 1 ? 9  
ATOM   4588 C CD2 . TRP   C 1 111 ? 18.946 -13.762 11.305  1.000 41.855  0 110 TRP   AAA CD2 1 ? 9  
ATOM   4589 N NE1 . TRP   C 1 111 ? 19.847 -11.709 11.255  1.000 44.199  0 110 TRP   AAA NE1 1 ? 9  
ATOM   4590 C CE2 . TRP   C 1 111 ? 18.793 -12.455 10.801  1.000 43.948  0 110 TRP   AAA CE2 1 ? 9  
ATOM   4591 C CE3 . TRP   C 1 111 ? 17.986 -14.729 10.998  1.000 42.440  0 110 TRP   AAA CE3 1 ? 9  
ATOM   4592 C CZ2 . TRP   C 1 111 ? 17.710 -12.097 10.005  1.000 45.286  0 110 TRP   AAA CZ2 1 ? 9  
ATOM   4593 C CZ3 . TRP   C 1 111 ? 16.922 -14.376 10.206  1.000 43.875  0 110 TRP   AAA CZ3 1 ? 9  
ATOM   4594 C CH2 . TRP   C 1 111 ? 16.798 -13.081 9.701   1.000 45.464  0 110 TRP   AAA CH2 1 ? 9  
ATOM   4595 N N   . ALA   C 1 112 ? 23.064 -17.033 13.908  1.000 40.874  0 111 ALA   AAA N   1 ? 9  
ATOM   4596 C CA  . ALA   C 1 112 ? 23.582 -17.943 14.961  1.000 40.603  0 111 ALA   AAA CA  1 ? 9  
ATOM   4597 C C   . ALA   C 1 112 ? 24.863 -17.372 15.609  1.000 39.728  0 111 ALA   AAA C   1 ? 9  
ATOM   4598 O O   . ALA   C 1 112 ? 25.179 -17.761 16.737  1.000 41.626  0 111 ALA   AAA O   1 ? 9  
ATOM   4599 C CB  . ALA   C 1 112 ? 23.838 -19.316 14.386  1.000 40.323  0 111 ALA   AAA CB  1 ? 9  
ATOM   4600 N N   . ARG   C 1 113 ? 25.593 -16.493 14.921  1.000 41.352  0 112 ARG   AAA N   1 ? 9  
ATOM   4601 C CA  . ARG   C 1 113 ? 26.841 -15.856 15.429  1.000 43.777  0 112 ARG   AAA CA  1 ? 9  
ATOM   4602 C C   . ARG   C 1 113 ? 26.523 -14.543 16.143  1.000 43.380  0 112 ARG   AAA C   1 ? 9  
ATOM   4603 O O   . ARG   C 1 113 ? 27.483 -13.890 16.581  1.000 42.406  0 112 ARG   AAA O   1 ? 9  
ATOM   4604 C CB  . ARG   C 1 113 ? 27.825 -15.575 14.288  1.000 45.202  0 112 ARG   AAA CB  1 ? 9  
ATOM   4605 C CG  . ARG   C 1 113 ? 28.342 -16.841 13.622  1.000 48.359  0 112 ARG   AAA CG  1 ? 9  
ATOM   4606 C CD  . ARG   C 1 113 ? 29.488 -16.652 12.647  1.000 51.597  0 112 ARG   AAA CD  1 ? 9  
ATOM   4607 N NE  . ARG   C 1 113 ? 29.103 -16.260 11.292  1.000 52.078  0 112 ARG   AAA NE  1 ? 9  
ATOM   4608 C CZ  . ARG   C 1 113 ? 28.621 -17.073 10.357  1.000 53.199  0 112 ARG   AAA CZ  1 ? 9  
ATOM   4609 N NH1 . ARG   C 1 113 ? 28.439 -18.361 10.604  1.000 53.176  0 112 ARG   AAA NH1 1 ? 9  
ATOM   4610 N NH2 . ARG   C 1 113 ? 28.357 -16.598 9.155   1.000 55.361  0 112 ARG   AAA NH2 1 ? 9  
ATOM   4611 N N   . TYR   C 1 114 ? 25.263 -14.108 16.167  1.000 44.137  0 113 TYR   AAA N   1 ? 9  
ATOM   4612 C CA  . TYR   C 1 114 ? 24.851 -12.818 16.793  1.000 45.271  0 113 TYR   AAA CA  1 ? 9  
ATOM   4613 C C   . TYR   C 1 114 ? 23.790 -13.028 17.871  1.000 46.333  0 113 TYR   AAA C   1 ? 9  
ATOM   4614 O O   . TYR   C 1 114 ? 23.745 -12.216 18.788  1.000 50.540  0 113 TYR   AAA O   1 ? 9  
ATOM   4615 C CB  . TYR   C 1 114 ? 24.401 -11.827 15.718  1.000 43.999  0 113 TYR   AAA CB  1 ? 9  
ATOM   4616 C CG  . TYR   C 1 114 ? 25.534 -11.493 14.787  1.000 44.890  0 113 TYR   AAA CG  1 ? 9  
ATOM   4617 C CD1 . TYR   C 1 114 ? 25.763 -12.252 13.653  1.000 44.563  0 113 TYR   AAA CD1 1 ? 9  
ATOM   4618 C CD2 . TYR   C 1 114 ? 26.439 -10.495 15.090  1.000 45.569  0 113 TYR   AAA CD2 1 ? 9  
ATOM   4619 C CE1 . TYR   C 1 114 ? 26.846 -12.012 12.832  1.000 46.449  0 113 TYR   AAA CE1 1 ? 9  
ATOM   4620 C CE2 . TYR   C 1 114 ? 27.531 -10.242 14.281  1.000 49.195  0 113 TYR   AAA CE2 1 ? 9  
ATOM   4621 C CZ  . TYR   C 1 114 ? 27.747 -11.021 13.161  1.000 49.296  0 113 TYR   AAA CZ  1 ? 9  
ATOM   4622 O OH  . TYR   C 1 114 ? 28.797 -10.774 12.332  1.000 53.698  0 113 TYR   AAA OH  1 ? 9  
ATOM   4623 N N   . LEU   C 1 115 ? 22.993 -14.089 17.784  1.000 45.594  0 114 LEU   AAA N   1 ? 9  
ATOM   4624 C CA  . LEU   C 1 115 ? 21.875 -14.382 18.723  1.000 44.565  0 114 LEU   AAA CA  1 ? 9  
ATOM   4625 C C   . LEU   C 1 115 ? 22.280 -15.502 19.675  1.000 40.767  0 114 LEU   AAA C   1 ? 9  
ATOM   4626 O O   . LEU   C 1 115 ? 23.090 -16.329 19.289  1.000 43.156  0 114 LEU   AAA O   1 ? 9  
ATOM   4627 C CB  . LEU   C 1 115 ? 20.649 -14.807 17.903  1.000 44.119  0 114 LEU   AAA CB  1 ? 9  
ATOM   4628 C CG  . LEU   C 1 115 ? 20.145 -13.802 16.880  1.000 45.121  0 114 LEU   AAA CG  1 ? 9  
ATOM   4629 C CD1 . LEU   C 1 115 ? 18.912 -14.348 16.177  1.000 46.522  0 114 LEU   AAA CD1 1 ? 9  
ATOM   4630 C CD2 . LEU   C 1 115 ? 19.822 -12.478 17.540  1.000 47.578  0 114 LEU   AAA CD2 1 ? 9  
ATOM   4631 N N   . ASN   C 1 116 ? 21.688 -15.554 20.864  1.000 41.919  0 115 ASN   AAA N   1 ? 9  
ATOM   4632 C CA  . ASN   C 1 116 ? 21.791 -16.735 21.761  1.000 42.528  0 115 ASN   AAA CA  1 ? 9  
ATOM   4633 C C   . ASN   C 1 116 ? 20.884 -17.842 21.214  1.000 42.540  0 115 ASN   AAA C   1 ? 9  
ATOM   4634 O O   . ASN   C 1 116 ? 20.101 -17.568 20.293  1.000 42.544  0 115 ASN   AAA O   1 ? 9  
ATOM   4635 C CB  . ASN   C 1 116 ? 21.530 -16.366 23.220  1.000 44.419  0 115 ASN   AAA CB  1 ? 9  
ATOM   4636 C CG  . ASN   C 1 116 ? 20.115 -15.907 23.488  1.000 46.040  0 115 ASN   AAA CG  1 ? 9  
ATOM   4637 O OD1 . ASN   C 1 116 ? 19.171 -16.401 22.888  1.000 46.299  0 115 ASN   AAA OD1 1 ? 9  
ATOM   4638 N ND2 . ASN   C 1 116 ? 19.954 -14.990 24.418  1.000 46.412  0 115 ASN   AAA ND2 1 ? 9  
ATOM   4639 N N   . ALA   C 1 117 ? 21.016 -19.056 21.749  1.000 43.959  0 116 ALA   AAA N   1 ? 9  
ATOM   4640 C CA  . ALA   C 1 117 ? 20.279 -20.262 21.309  1.000 43.820  0 116 ALA   AAA CA  1 ? 9  
ATOM   4641 C C   . ALA   C 1 117 ? 18.765 -20.021 21.367  1.000 43.718  0 116 ALA   AAA C   1 ? 9  
ATOM   4642 O O   . ALA   C 1 117 ? 18.062 -20.453 20.464  1.000 46.632  0 116 ALA   AAA O   1 ? 9  
ATOM   4643 C CB  . ALA   C 1 117 ? 20.685 -21.450 22.153  1.000 44.760  0 116 ALA   AAA CB  1 ? 9  
ATOM   4644 N N   . GLU   C 1 118 ? 18.279 -19.373 22.417  1.000 46.194  0 117 GLU   AAA N   1 ? 9  
ATOM   4645 C CA  . GLU   C 1 118 ? 16.832 -19.116 22.657  1.000 49.324  0 117 GLU   AAA CA  1 ? 9  
ATOM   4646 C C   . GLU   C 1 118 ? 16.309 -18.176 21.567  1.000 47.531  0 117 GLU   AAA C   1 ? 9  
ATOM   4647 O O   . GLU   C 1 118 ? 15.267 -18.487 20.963  1.000 49.774  0 117 GLU   AAA O   1 ? 9  
ATOM   4648 C CB  . GLU   C 1 118 ? 16.655 -18.531 24.056  1.000 54.511  0 117 GLU   AAA CB  1 ? 9  
ATOM   4649 C CG  . GLU   C 1 118 ? 15.212 -18.319 24.463  1.000 63.815  0 117 GLU   AAA CG  1 ? 9  
ATOM   4650 C CD  . GLU   C 1 118 ? 15.000 -17.826 25.890  1.000 68.095  0 117 GLU   AAA CD  1 ? 9  
ATOM   4651 O OE1 . GLU   C 1 118 ? 15.980 -17.379 26.528  1.000 69.153  0 117 GLU   AAA OE1 1 ? 9  
ATOM   4652 O OE2 . GLU   C 1 118 ? 13.844 -17.895 26.367  1.000 75.713  0 117 GLU   AAA OE2 1 ? 9  
ATOM   4653 N N   . GLU   C 1 119 ? 17.016 -17.074 21.308  1.000 51.339  0 118 GLU   AAA N   1 ? 10 
ATOM   4654 C CA  . GLU   C 1 119 ? 16.612 -16.060 20.301  1.000 49.470  0 118 GLU   AAA CA  1 ? 10 
ATOM   4655 C C   . GLU   C 1 119 ? 16.599 -16.705 18.916  1.000 47.328  0 118 GLU   AAA C   1 ? 10 
ATOM   4656 O O   . GLU   C 1 119 ? 15.646 -16.443 18.161  1.000 46.200  0 118 GLU   AAA O   1 ? 10 
ATOM   4657 C CB  . GLU   C 1 119 ? 17.552 -14.862 20.337  1.000 50.478  0 118 GLU   AAA CB  1 ? 10 
ATOM   4658 C CG  . GLU   C 1 119 ? 17.404 -14.009 21.584  1.000 52.669  0 118 GLU   AAA CG  1 ? 10 
ATOM   4659 C CD  . GLU   C 1 119 ? 18.569 -13.057 21.794  1.000 55.052  0 118 GLU   AAA CD  1 ? 10 
ATOM   4660 O OE1 . GLU   C 1 119 ? 19.693 -13.430 21.418  1.000 54.381  0 118 GLU   AAA OE1 1 ? 10 
ATOM   4661 O OE2 . GLU   C 1 119 ? 18.356 -11.944 22.311  1.000 56.706  0 118 GLU   AAA OE2 1 ? 10 
ATOM   4662 N N   . LEU   C 1 120 ? 17.597 -17.538 18.602  1.000 44.886  0 119 LEU   AAA N   1 ? 10 
ATOM   4663 C CA  . LEU   C 1 120 ? 17.697 -18.186 17.273  1.000 42.805  0 119 LEU   AAA CA  1 ? 10 
ATOM   4664 C C   . LEU   C 1 120 ? 16.543 -19.177 17.114  1.000 41.817  0 119 LEU   AAA C   1 ? 10 
ATOM   4665 O O   . LEU   C 1 120 ? 16.012 -19.262 16.008  1.000 43.038  0 119 LEU   AAA O   1 ? 10 
ATOM   4666 C CB  . LEU   C 1 120 ? 19.051 -18.883 17.111  1.000 43.500  0 119 LEU   AAA CB  1 ? 10 
ATOM   4667 C CG  . LEU   C 1 120 ? 19.314 -19.473 15.727  1.000 43.602  0 119 LEU   AAA CG  1 ? 10 
ATOM   4668 C CD1 . LEU   C 1 120 ? 19.604 -18.369 14.757  1.000 44.115  0 119 LEU   AAA CD1 1 ? 10 
ATOM   4669 C CD2 . LEU   C 1 120 ? 20.481 -20.455 15.740  1.000 45.129  0 119 LEU   AAA CD2 1 ? 10 
ATOM   4670 N N   . ALA   C 1 121 ? 16.195 -19.923 18.161  1.000 42.463  0 120 ALA   AAA N   1 ? 10 
ATOM   4671 C CA  . ALA   C 1 121 ? 15.112 -20.929 18.129  1.000 43.898  0 120 ALA   AAA CA  1 ? 10 
ATOM   4672 C C   . ALA   C 1 121 ? 13.779 -20.207 17.851  1.000 43.202  0 120 ALA   AAA C   1 ? 10 
ATOM   4673 O O   . ALA   C 1 121 ? 12.978 -20.706 17.052  1.000 42.679  0 120 ALA   AAA O   1 ? 10 
ATOM   4674 C CB  . ALA   C 1 121 ? 15.082 -21.723 19.418  1.000 44.896  0 120 ALA   AAA CB  1 ? 10 
ATOM   4675 N N   . PHE   C 1 122 ? 13.560 -19.062 18.489  1.000 44.557  0 121 PHE   AAA N   1 ? 10 
ATOM   4676 C CA  . PHE   C 1 122 ? 12.344 -18.237 18.295  1.000 45.245  0 121 PHE   AAA CA  1 ? 10 
ATOM   4677 C C   . PHE   C 1 122 ? 12.285 -17.784 16.837  1.000 43.764  0 121 PHE   AAA C   1 ? 10 
ATOM   4678 O O   . PHE   C 1 122 ? 11.231 -17.969 16.170  1.000 43.164  0 121 PHE   AAA O   1 ? 10 
ATOM   4679 C CB  . PHE   C 1 122 ? 12.318 -17.054 19.260  1.000 48.577  0 121 PHE   AAA CB  1 ? 10 
ATOM   4680 C CG  . PHE   C 1 122 ? 11.028 -16.279 19.193  1.000 50.829  0 121 PHE   AAA CG  1 ? 10 
ATOM   4681 C CD1 . PHE   C 1 122 ? 10.854 -15.281 18.244  1.000 50.278  0 121 PHE   AAA CD1 1 ? 10 
ATOM   4682 C CD2 . PHE   C 1 122 ? 9.974  -16.571 20.053  1.000 52.872  0 121 PHE   AAA CD2 1 ? 10 
ATOM   4683 C CE1 . PHE   C 1 122 ? 9.663  -14.571 18.175  1.000 51.640  0 121 PHE   AAA CE1 1 ? 10 
ATOM   4684 C CE2 . PHE   C 1 122 ? 8.789  -15.855 19.986  1.000 53.449  0 121 PHE   AAA CE2 1 ? 10 
ATOM   4685 C CZ  . PHE   C 1 122 ? 8.633  -14.859 19.048  1.000 52.751  0 121 PHE   AAA CZ  1 ? 10 
ATOM   4686 N N   . THR   C 1 123 ? 13.394 -17.241 16.327  1.000 41.472  0 122 THR   AAA N   1 ? 10 
ATOM   4687 C CA  . THR   C 1 123 ? 13.455 -16.699 14.949  1.000 41.028  0 122 THR   AAA CA  1 ? 10 
ATOM   4688 C C   . THR   C 1 123 ? 13.271 -17.823 13.931  1.000 41.881  0 122 THR   AAA C   1 ? 10 
ATOM   4689 O O   . THR   C 1 123 ? 12.544 -17.610 12.948  1.000 43.896  0 122 THR   AAA O   1 ? 10 
ATOM   4690 C CB  . THR   C 1 123 ? 14.728 -15.879 14.736  1.000 41.219  0 122 THR   AAA CB  1 ? 10 
ATOM   4691 O OG1 . THR   C 1 123 ? 14.629 -14.761 15.619  1.000 42.039  0 122 THR   AAA OG1 1 ? 10 
ATOM   4692 C CG2 . THR   C 1 123 ? 14.891 -15.412 13.310  1.000 40.783  0 122 THR   AAA CG2 1 ? 10 
ATOM   4693 N N   . ARG   C 1 124 ? 13.870 -18.991 14.153  1.000 43.130  0 123 ARG   AAA N   1 ? 10 
ATOM   4694 C CA  . ARG   C 1 124 ? 13.681 -20.162 13.260  1.000 44.071  0 123 ARG   AAA CA  1 ? 10 
ATOM   4695 C C   . ARG   C 1 124 ? 12.189 -20.514 13.226  1.000 44.651  0 123 ARG   AAA C   1 ? 10 
ATOM   4696 O O   . ARG   C 1 124 ? 11.681 -20.829 12.160  1.000 45.704  0 123 ARG   AAA O   1 ? 10 
ATOM   4697 C CB  . ARG   C 1 124 ? 14.523 -21.355 13.727  1.000 45.909  0 123 ARG   AAA CB  1 ? 10 
ATOM   4698 C CG  . ARG   C 1 124 ? 14.188 -22.666 13.027  1.000 48.134  0 123 ARG   AAA CG  1 ? 10 
ATOM   4699 C CD  . ARG   C 1 124 ? 15.028 -23.850 13.509  1.000 50.349  0 123 ARG   AAA CD  1 ? 10 
ATOM   4700 N NE  . ARG   C 1 124 ? 16.400 -23.673 13.059  1.000 51.343  0 123 ARG   AAA NE  1 ? 10 
ATOM   4701 C CZ  . ARG   C 1 124 ? 16.830 -23.861 11.814  1.000 51.910  0 123 ARG   AAA CZ  1 ? 10 
ATOM   4702 N NH1 . ARG   C 1 124 ? 15.997 -24.251 10.863  1.000 54.106  0 123 ARG   AAA NH1 1 ? 10 
ATOM   4703 N NH2 . ARG   C 1 124 ? 18.097 -23.634 11.522  1.000 52.097  0 123 ARG   AAA NH2 1 ? 10 
ATOM   4704 N N   . GLN   C 1 125 ? 11.525 -20.497 14.374  1.000 45.937  0 124 GLN   AAA N   1 ? 10 
ATOM   4705 C CA  . GLN   C 1 125 ? 10.109 -20.932 14.513  1.000 50.039  0 124 GLN   AAA CA  1 ? 10 
ATOM   4706 C C   . GLN   C 1 125 ? 9.195  -19.931 13.790  1.000 50.053  0 124 GLN   AAA C   1 ? 10 
ATOM   4707 O O   . GLN   C 1 125 ? 8.270  -20.388 13.122  1.000 50.995  0 124 GLN   AAA O   1 ? 10 
ATOM   4708 C CB  . GLN   C 1 125 ? 9.763  -21.068 15.997  1.000 54.071  0 124 GLN   AAA CB  1 ? 10 
ATOM   4709 C CG  . GLN   C 1 125 ? 8.287  -21.317 16.281  1.000 59.945  0 124 GLN   AAA CG  1 ? 10 
ATOM   4710 C CD  . GLN   C 1 125 ? 8.065  -21.735 17.717  1.000 66.899  0 124 GLN   AAA CD  1 ? 10 
ATOM   4711 O OE1 . GLN   C 1 125 ? 7.197  -22.550 18.018  1.000 73.697  0 124 GLN   AAA OE1 1 ? 10 
ATOM   4712 N NE2 . GLN   C 1 125 ? 8.849  -21.171 18.629  1.000 69.412  0 124 GLN   AAA NE2 1 ? 10 
ATOM   4713 N N   . HIS   C 1 126 ? 9.466  -18.622 13.896  1.000 49.216  0 125 HIS   AAA N   1 ? 10 
ATOM   4714 C CA  . HIS   C 1 126 ? 8.510  -17.545 13.522  1.000 48.266  0 125 HIS   AAA CA  1 ? 10 
ATOM   4715 C C   . HIS   C 1 126 ? 8.911  -16.855 12.208  1.000 48.174  0 125 HIS   AAA C   1 ? 10 
ATOM   4716 O O   . HIS   C 1 126 ? 8.176  -15.968 11.758  1.000 47.473  0 125 HIS   AAA O   1 ? 10 
ATOM   4717 C CB  . HIS   C 1 126 ? 8.340  -16.591 14.704  1.000 47.389  0 125 HIS   AAA CB  1 ? 10 
ATOM   4718 C CG  . HIS   C 1 126 ? 7.676  -17.230 15.879  1.000 48.468  0 125 HIS   AAA CG  1 ? 10 
ATOM   4719 N ND1 . HIS   C 1 126 ? 6.335  -17.573 15.863  1.000 51.082  0 125 HIS   AAA ND1 1 ? 10 
ATOM   4720 C CD2 . HIS   C 1 126 ? 8.141  -17.583 17.097  1.000 49.550  0 125 HIS   AAA CD2 1 ? 10 
ATOM   4721 C CE1 . HIS   C 1 126 ? 6.007  -18.121 17.018  1.000 53.153  0 125 HIS   AAA CE1 1 ? 10 
ATOM   4722 N NE2 . HIS   C 1 126 ? 7.091  -18.132 17.797  1.000 53.256  0 125 HIS   AAA NE2 1 ? 10 
ATOM   4723 N N   . TYR   C 1 127 ? 10.007 -17.281 11.585  1.000 47.877  0 126 TYR   AAA N   1 ? 10 
ATOM   4724 C CA  . TYR   C 1 127 ? 10.576 -16.682 10.349  1.000 46.795  0 126 TYR   AAA CA  1 ? 10 
ATOM   4725 C C   . TYR   C 1 127 ? 9.494  -16.542 9.268   1.000 48.606  0 126 TYR   AAA C   1 ? 10 
ATOM   4726 O O   . TYR   C 1 127 ? 9.448  -15.493 8.609   1.000 48.495  0 126 TYR   AAA O   1 ? 10 
ATOM   4727 C CB  . TYR   C 1 127 ? 11.745 -17.551 9.883   1.000 46.473  0 126 TYR   AAA CB  1 ? 10 
ATOM   4728 C CG  . TYR   C 1 127 ? 12.444 -17.100 8.636   1.000 47.373  0 126 TYR   AAA CG  1 ? 10 
ATOM   4729 C CD1 . TYR   C 1 127 ? 11.917 -17.347 7.386   1.000 49.038  0 126 TYR   AAA CD1 1 ? 10 
ATOM   4730 C CD2 . TYR   C 1 127 ? 13.678 -16.483 8.706   1.000 50.039  0 126 TYR   AAA CD2 1 ? 10 
ATOM   4731 C CE1 . TYR   C 1 127 ? 12.576 -16.958 6.231   1.000 52.116  0 126 TYR   AAA CE1 1 ? 10 
ATOM   4732 C CE2 . TYR   C 1 127 ? 14.352 -16.080 7.557   1.000 52.609  0 126 TYR   AAA CE2 1 ? 10 
ATOM   4733 C CZ  . TYR   C 1 127 ? 13.796 -16.313 6.315   1.000 52.865  0 126 TYR   AAA CZ  1 ? 10 
ATOM   4734 O OH  . TYR   C 1 127 ? 14.469 -15.941 5.185   1.000 59.678  0 126 TYR   AAA OH  1 ? 10 
ATOM   4735 N N   . PHE   C 1 128 ? 8.672  -17.574 9.060   1.000 49.108  0 127 PHE   AAA N   1 ? 10 
ATOM   4736 C CA  . PHE   C 1 128 ? 7.715  -17.669 7.926   1.000 52.877  0 127 PHE   AAA CA  1 ? 10 
ATOM   4737 C C   . PHE   C 1 128 ? 6.347  -17.049 8.275   1.000 52.318  0 127 PHE   AAA C   1 ? 10 
ATOM   4738 O O   . PHE   C 1 128 ? 5.538  -16.889 7.358   1.000 54.639  0 127 PHE   AAA O   1 ? 10 
ATOM   4739 C CB  . PHE   C 1 128 ? 7.562  -19.126 7.485   1.000 55.025  0 127 PHE   AAA CB  1 ? 10 
ATOM   4740 C CG  . PHE   C 1 128 ? 8.849  -19.746 7.007   1.000 57.115  0 127 PHE   AAA CG  1 ? 10 
ATOM   4741 C CD1 . PHE   C 1 128 ? 9.304  -19.528 5.719   1.000 60.240  0 127 PHE   AAA CD1 1 ? 10 
ATOM   4742 C CD2 . PHE   C 1 128 ? 9.638  -20.506 7.856   1.000 57.329  0 127 PHE   AAA CD2 1 ? 10 
ATOM   4743 C CE1 . PHE   C 1 128 ? 10.502 -20.078 5.286   1.000 61.035  0 127 PHE   AAA CE1 1 ? 10 
ATOM   4744 C CE2 . PHE   C 1 128 ? 10.836 -21.059 7.419   1.000 59.731  0 127 PHE   AAA CE2 1 ? 10 
ATOM   4745 C CZ  . PHE   C 1 128 ? 11.275 -20.831 6.137   1.000 59.860  0 127 PHE   AAA CZ  1 ? 10 
ATOM   4746 N N   . ASP   C 1 129 ? 6.101  -16.695 9.533   1.000 50.505  0 128 ASP   AAA N   1 ? 10 
ATOM   4747 C CA  . ASP   C 1 129 ? 4.760  -16.339 10.064  1.000 51.712  0 128 ASP   AAA CA  1 ? 10 
ATOM   4748 C C   . ASP   C 1 129 ? 4.106  -15.264 9.189   1.000 54.568  0 128 ASP   AAA C   1 ? 10 
ATOM   4749 O O   . ASP   C 1 129 ? 2.945  -15.478 8.746   1.000 54.937  0 128 ASP   AAA O   1 ? 10 
ATOM   4750 C CB  . ASP   C 1 129 ? 4.859  -15.848 11.508  1.000 49.144  0 128 ASP   AAA CB  1 ? 10 
ATOM   4751 C CG  . ASP   C 1 129 ? 5.027  -16.956 12.528  1.000 48.519  0 128 ASP   AAA CG  1 ? 10 
ATOM   4752 O OD1 . ASP   C 1 129 ? 5.252  -18.110 12.122  1.000 48.830  0 128 ASP   AAA OD1 1 ? 10 
ATOM   4753 O OD2 . ASP   C 1 129 ? 4.957  -16.647 13.722  1.000 48.426  0 128 ASP   AAA OD2 1 ? 10 
ATOM   4754 N N   A ARG   C 1 130 ? 4.823  -14.164 8.937   0.500 53.852  0 129 ARG   AAA N   1 ? 10 
ATOM   4755 N N   B ARG   C 1 130 ? 4.811  -14.143 8.983   0.500 54.191  0 129 ARG   AAA N   1 ? 10 
ATOM   4756 C CA  A ARG   C 1 130 ? 4.316  -12.999 8.168   0.500 56.381  0 129 ARG   AAA CA  1 ? 10 
ATOM   4757 C CA  B ARG   C 1 130 ? 4.336  -12.979 8.189   0.500 57.003  0 129 ARG   AAA CA  1 ? 10 
ATOM   4758 C C   A ARG   C 1 130 ? 5.232  -12.717 6.972   0.500 59.312  0 129 ARG   AAA C   1 ? 10 
ATOM   4759 C C   B ARG   C 1 130 ? 5.270  -12.710 7.004   0.500 59.694  0 129 ARG   AAA C   1 ? 10 
ATOM   4760 O O   A ARG   C 1 130 ? 5.232  -11.569 6.495   0.500 61.004  0 129 ARG   AAA O   1 ? 10 
ATOM   4761 O O   B ARG   C 1 130 ? 5.374  -11.534 6.610   0.500 61.264  0 129 ARG   AAA O   1 ? 10 
ATOM   4762 C CB  A ARG   C 1 130 ? 4.183  -11.799 9.105   0.500 55.595  0 129 ARG   AAA CB  1 ? 10 
ATOM   4763 C CB  B ARG   C 1 130 ? 4.274  -11.715 9.047   0.500 56.838  0 129 ARG   AAA CB  1 ? 10 
ATOM   4764 C CG  A ARG   C 1 130 ? 3.274  -12.069 10.293  0.500 56.082  0 129 ARG   AAA CG  1 ? 10 
ATOM   4765 C CG  B ARG   C 1 130 ? 3.519  -11.867 10.357  0.500 57.568  0 129 ARG   AAA CG  1 ? 10 
ATOM   4766 C CD  A ARG   C 1 130 ? 2.948  -10.809 11.077  0.500 57.975  0 129 ARG   AAA CD  1 ? 10 
ATOM   4767 C CD  B ARG   C 1 130 ? 2.543  -10.713 10.496  0.500 60.533  0 129 ARG   AAA CD  1 ? 10 
ATOM   4768 N NE  A ARG   C 1 130 ? 2.242  -9.814  10.282  0.500 59.208  0 129 ARG   AAA NE  1 ? 10 
ATOM   4769 N NE  B ARG   C 1 130 ? 2.490  -10.106 11.822  0.500 61.194  0 129 ARG   AAA NE  1 ? 10 
ATOM   4770 C CZ  A ARG   C 1 130 ? 2.020  -8.563  10.664  0.500 60.344  0 129 ARG   AAA CZ  1 ? 10 
ATOM   4771 C CZ  B ARG   C 1 130 ? 2.228  -8.824  12.035  0.500 61.665  0 129 ARG   AAA CZ  1 ? 10 
ATOM   4772 N NH1 A ARG   C 1 130 ? 2.451  -8.136  11.839  0.500 60.114  0 129 ARG   AAA NH1 1 ? 10 
ATOM   4773 N NH1 B ARG   C 1 130 ? 2.026  -8.014  11.010  0.500 62.625  0 129 ARG   AAA NH1 1 ? 10 
ATOM   4774 N NH2 A ARG   C 1 130 ? 1.367  -7.739  9.865   0.500 61.987  0 129 ARG   AAA NH2 1 ? 10 
ATOM   4775 N NH2 B ARG   C 1 130 ? 2.183  -8.354  13.266  0.500 63.067  0 129 ARG   AAA NH2 1 ? 10 
ATOM   4776 N N   . LEU   C 1 131 ? 5.911  -13.746 6.454   1.000 61.673  0 130 LEU   AAA N   1 ? 10 
ATOM   4777 C CA  . LEU   C 1 131 ? 6.900  -13.611 5.348   1.000 65.423  0 130 LEU   AAA CA  1 ? 10 
ATOM   4778 C C   . LEU   C 1 131 ? 6.232  -12.955 4.135   1.000 67.798  0 130 LEU   AAA C   1 ? 10 
ATOM   4779 O O   . LEU   C 1 131 ? 6.905  -12.176 3.451   1.000 70.926  0 130 LEU   AAA O   1 ? 10 
ATOM   4780 C CB  . LEU   C 1 131 ? 7.466  -14.990 4.992   1.000 68.605  0 130 LEU   AAA CB  1 ? 10 
ATOM   4781 C CG  . LEU   C 1 131 ? 8.560  -15.008 3.923   1.000 71.393  0 130 LEU   AAA CG  1 ? 10 
ATOM   4782 C CD1 . LEU   C 1 131 ? 9.765  -14.205 4.376   1.000 71.147  0 130 LEU   AAA CD1 1 ? 10 
ATOM   4783 C CD2 . LEU   C 1 131 ? 8.975  -16.427 3.571   1.000 73.739  0 130 LEU   AAA CD2 1 ? 10 
ATOM   4784 N N   . MET   C 1 132 ? 4.960  -13.255 3.881   1.000 68.810  0 131 MET   AAA N   1 ? 10 
ATOM   4785 C CA  . MET   C 1 132 ? 4.243  -12.854 2.640   1.000 71.311  0 131 MET   AAA CA  1 ? 10 
ATOM   4786 C C   . MET   C 1 132 ? 3.993  -11.341 2.605   1.000 66.967  0 131 MET   AAA C   1 ? 10 
ATOM   4787 O O   . MET   C 1 132 ? 3.752  -10.836 1.510   1.000 71.198  0 131 MET   AAA O   1 ? 10 
ATOM   4788 C CB  . MET   C 1 132 ? 2.904  -13.588 2.521   1.000 75.974  0 131 MET   AAA CB  1 ? 10 
ATOM   4789 C CG  . MET   C 1 132 ? 3.066  -15.061 2.208   1.000 82.009  0 131 MET   AAA CG  1 ? 10 
ATOM   4790 S SD  . MET   C 1 132 ? 3.935  -15.364 0.644   1.000 92.687  0 131 MET   AAA SD  1 ? 10 
ATOM   4791 C CE  . MET   C 1 132 ? 2.547  -15.545 -0.481  1.000 95.414  0 131 MET   AAA CE  1 ? 10 
ATOM   4792 N N   . GLU   C 1 133 ? 4.039  -10.647 3.744   1.000 81.294  0 132 GLU   AAA N   1 ? 11 
ATOM   4793 C CA  . GLU   C 1 133 ? 3.724  -9.197  3.836   1.000 77.418  0 132 GLU   AAA CA  1 ? 11 
ATOM   4794 C C   . GLU   C 1 133 ? 4.962  -8.335  3.550   1.000 73.961  0 132 GLU   AAA C   1 ? 11 
ATOM   4795 O O   . GLU   C 1 133 ? 4.799  -7.093  3.480   1.000 73.582  0 132 GLU   AAA O   1 ? 11 
ATOM   4796 C CB  . GLU   C 1 133 ? 3.183  -8.854  5.220   1.000 77.235  0 132 GLU   AAA CB  1 ? 11 
ATOM   4797 C CG  . GLU   C 1 133 ? 1.888  -9.567  5.564   1.000 82.291  0 132 GLU   AAA CG  1 ? 11 
ATOM   4798 C CD  . GLU   C 1 133 ? 1.324  -9.149  6.905   1.000 83.890  0 132 GLU   AAA CD  1 ? 11 
ATOM   4799 O OE1 . GLU   C 1 133 ? 1.180  -7.937  7.112   1.000 84.456  0 132 GLU   AAA OE1 1 ? 11 
ATOM   4800 O OE2 . GLU   C 1 133 ? 1.088  -10.023 7.758   1.000 84.629  0 132 GLU   AAA OE2 1 ? 11 
ATOM   4801 N N   . TRP   C 1 134 ? 6.150  -8.931  3.396   1.000 70.753  0 133 TRP   AAA N   1 ? 11 
ATOM   4802 C CA  . TRP   C 1 134 ? 7.425  -8.174  3.261   1.000 67.078  0 133 TRP   AAA CA  1 ? 11 
ATOM   4803 C C   . TRP   C 1 134 ? 7.487  -7.479  1.907   1.000 68.029  0 133 TRP   AAA C   1 ? 11 
ATOM   4804 O O   . TRP   C 1 134 ? 7.879  -6.319  1.861   1.000 67.555  0 133 TRP   AAA O   1 ? 11 
ATOM   4805 C CB  . TRP   C 1 134 ? 8.655  -9.058  3.516   1.000 64.720  0 133 TRP   AAA CB  1 ? 11 
ATOM   4806 C CG  . TRP   C 1 134 ? 8.987  -9.174  4.973   1.000 62.132  0 133 TRP   AAA CG  1 ? 11 
ATOM   4807 C CD1 . TRP   C 1 134 ? 8.691  -10.219 5.800   1.000 62.458  0 133 TRP   AAA CD1 1 ? 11 
ATOM   4808 C CD2 . TRP   C 1 134 ? 9.659  -8.203  5.791   1.000 59.502  0 133 TRP   AAA CD2 1 ? 11 
ATOM   4809 N NE1 . TRP   C 1 134 ? 9.116  -9.957  7.077   1.000 61.065  0 133 TRP   AAA NE1 1 ? 11 
ATOM   4810 C CE2 . TRP   C 1 134 ? 9.726  -8.732  7.096   1.000 59.788  0 133 TRP   AAA CE2 1 ? 11 
ATOM   4811 C CE3 . TRP   C 1 134 ? 10.221 -6.948  5.551   1.000 61.090  0 133 TRP   AAA CE3 1 ? 11 
ATOM   4812 C CZ2 . TRP   C 1 134 ? 10.317 -8.046  8.151   1.000 60.360  0 133 TRP   AAA CZ2 1 ? 11 
ATOM   4813 C CZ3 . TRP   C 1 134 ? 10.811 -6.266  6.595   1.000 61.280  0 133 TRP   AAA CZ3 1 ? 11 
ATOM   4814 C CH2 . TRP   C 1 134 ? 10.855 -6.813  7.878   1.000 61.302  0 133 TRP   AAA CH2 1 ? 11 
ATOM   4815 N N   . PRO   C 1 135 ? 7.144  -8.136  0.774   1.000 71.197  0 134 PRO   AAA N   1 ? 11 
ATOM   4816 C CA  . PRO   C 1 135 ? 7.211  -7.489  -0.537  1.000 73.503  0 134 PRO   AAA CA  1 ? 11 
ATOM   4817 C C   . PRO   C 1 135 ? 6.493  -6.128  -0.589  1.000 74.947  0 134 PRO   AAA C   1 ? 11 
ATOM   4818 O O   . PRO   C 1 135 ? 7.099  -5.169  -1.049  1.000 75.586  0 134 PRO   AAA O   1 ? 11 
ATOM   4819 C CB  . PRO   C 1 135 ? 6.569  -8.522  -1.477  1.000 77.267  0 134 PRO   AAA CB  1 ? 11 
ATOM   4820 C CG  . PRO   C 1 135 ? 6.903  -9.836  -0.816  1.000 77.082  0 134 PRO   AAA CG  1 ? 11 
ATOM   4821 C CD  . PRO   C 1 135 ? 6.744  -9.543  0.663   1.000 73.914  0 134 PRO   AAA CD  1 ? 11 
ATOM   4822 N N   . ALA   C 1 136 ? 5.244  -6.067  -0.115  1.000 77.724  0 135 ALA   AAA N   1 ? 11 
ATOM   4823 C CA  . ALA   C 1 136 ? 4.415  -4.837  -0.100  1.000 78.509  0 135 ALA   AAA CA  1 ? 11 
ATOM   4824 C C   . ALA   C 1 136 ? 5.137  -3.763  0.716   1.000 77.524  0 135 ALA   AAA C   1 ? 11 
ATOM   4825 O O   . ALA   C 1 136 ? 5.191  -2.612  0.250   1.000 81.316  0 135 ALA   AAA O   1 ? 11 
ATOM   4826 C CB  . ALA   C 1 136 ? 3.036  -5.112  0.453   1.000 81.644  0 135 ALA   AAA CB  1 ? 11 
ATOM   4827 N N   . LEU   C 1 137 ? 5.694  -4.124  1.877   1.000 75.304  0 136 LEU   AAA N   1 ? 11 
ATOM   4828 C CA  . LEU   C 1 137 ? 6.403  -3.151  2.749   1.000 74.305  0 136 LEU   AAA CA  1 ? 11 
ATOM   4829 C C   . LEU   C 1 137 ? 7.675  -2.679  2.043   1.000 73.776  0 136 LEU   AAA C   1 ? 11 
ATOM   4830 O O   . LEU   C 1 137 ? 7.911  -1.463  2.020   1.000 75.665  0 136 LEU   AAA O   1 ? 11 
ATOM   4831 C CB  . LEU   C 1 137 ? 6.748  -3.765  4.108   1.000 73.820  0 136 LEU   AAA CB  1 ? 11 
ATOM   4832 C CG  . LEU   C 1 137 ? 7.603  -2.862  4.999   1.000 74.648  0 136 LEU   AAA CG  1 ? 11 
ATOM   4833 C CD1 . LEU   C 1 137 ? 6.896  -1.550  5.281   1.000 78.452  0 136 LEU   AAA CD1 1 ? 11 
ATOM   4834 C CD2 . LEU   C 1 137 ? 7.960  -3.538  6.298   1.000 75.775  0 136 LEU   AAA CD2 1 ? 11 
ATOM   4835 N N   . VAL   C 1 138 ? 8.470  -3.605  1.507   1.000 73.057  0 137 VAL   AAA N   1 ? 11 
ATOM   4836 C CA  . VAL   C 1 138 ? 9.762  -3.271  0.845   1.000 73.590  0 137 VAL   AAA CA  1 ? 11 
ATOM   4837 C C   . VAL   C 1 138 ? 9.461  -2.368  -0.358  1.000 76.443  0 137 VAL   AAA C   1 ? 11 
ATOM   4838 O O   . VAL   C 1 138 ? 10.218 -1.391  -0.564  1.000 78.094  0 137 VAL   AAA O   1 ? 11 
ATOM   4839 C CB  . VAL   C 1 138 ? 10.560 -4.530  0.463   1.000 72.689  0 137 VAL   AAA CB  1 ? 11 
ATOM   4840 C CG1 . VAL   C 1 138 ? 11.775 -4.196  -0.381  1.000 73.619  0 137 VAL   AAA CG1 1 ? 11 
ATOM   4841 C CG2 . VAL   C 1 138 ? 10.996 -5.310  1.693   1.000 72.704  0 137 VAL   AAA CG2 1 ? 11 
ATOM   4842 N N   . ALA   C 1 139 ? 8.371  -2.637  -1.082  1.000 78.078  0 138 ALA   AAA N   1 ? 11 
ATOM   4843 C CA  . ALA   C 1 139 ? 7.902  -1.807  -2.217  1.000 81.284  0 138 ALA   AAA CA  1 ? 11 
ATOM   4844 C C   . ALA   C 1 139 ? 7.639  -0.374  -1.727  1.000 82.726  0 138 ALA   AAA C   1 ? 11 
ATOM   4845 O O   . ALA   C 1 139 ? 8.128  0.566   -2.377  1.000 86.275  0 138 ALA   AAA O   1 ? 11 
ATOM   4846 C CB  . ALA   C 1 139 ? 6.670  -2.414  -2.844  1.000 83.571  0 138 ALA   AAA CB  1 ? 11 
ATOM   4847 N N   . ASP   C 1 140 ? 6.907  -0.216  -0.619  1.000 83.701  0 139 ASP   AAA N   1 ? 11 
ATOM   4848 C CA  . ASP   C 1 140 ? 6.527  1.106   -0.046  1.000 85.895  0 139 ASP   AAA CA  1 ? 11 
ATOM   4849 C C   . ASP   C 1 140 ? 7.786  1.840   0.432   1.000 87.411  0 139 ASP   AAA C   1 ? 11 
ATOM   4850 O O   . ASP   C 1 140 ? 7.841  3.068   0.267   1.000 91.048  0 139 ASP   AAA O   1 ? 11 
ATOM   4851 C CB  . ASP   C 1 140 ? 5.499  0.966   1.083   1.000 87.480  0 139 ASP   AAA CB  1 ? 11 
ATOM   4852 C CG  . ASP   C 1 140 ? 4.167  0.374   0.640   1.000 89.153  0 139 ASP   AAA CG  1 ? 11 
ATOM   4853 O OD1 . ASP   C 1 140 ? 3.968  0.203   -0.581  1.000 88.929  0 139 ASP   AAA OD1 1 ? 11 
ATOM   4854 O OD2 . ASP   C 1 140 ? 3.342  0.062   1.526   1.000 91.543  0 139 ASP   AAA OD2 1 ? 11 
ATOM   4855 N N   . LEU   C 1 141 ? 8.753  1.118   1.005   1.000 87.538  0 140 LEU   AAA N   1 ? 11 
ATOM   4856 C CA  . LEU   C 1 141 ? 10.074 1.670   1.418   1.000 90.358  0 140 LEU   AAA CA  1 ? 11 
ATOM   4857 C C   . LEU   C 1 141 ? 10.826 2.163   0.175   1.000 93.236  0 140 LEU   AAA C   1 ? 11 
ATOM   4858 O O   . LEU   C 1 141 ? 11.460 3.225   0.269   1.000 95.283  0 140 LEU   AAA O   1 ? 11 
ATOM   4859 C CB  . LEU   C 1 141 ? 10.886 0.597   2.151   1.000 89.364  0 140 LEU   AAA CB  1 ? 11 
ATOM   4860 C CG  . LEU   C 1 141 ? 10.423 0.236   3.562   1.000 88.415  0 140 LEU   AAA CG  1 ? 11 
ATOM   4861 C CD1 . LEU   C 1 141 ? 11.171 -0.988  4.073   1.000 86.257  0 140 LEU   AAA CD1 1 ? 11 
ATOM   4862 C CD2 . LEU   C 1 141 ? 10.610 1.411   4.508   1.000 92.487  0 140 LEU   AAA CD2 1 ? 11 
ATOM   4863 N N   . HIS   C 1 142 ? 10.760 1.418   -0.936  1.000 94.805  0 141 HIS   AAA N   1 ? 11 
ATOM   4864 C CA  . HIS   C 1 142 ? 11.379 1.787   -2.242  1.000 99.200  0 141 HIS   AAA CA  1 ? 11 
ATOM   4865 C C   . HIS   C 1 142 ? 10.724 3.070   -2.777  1.000 103.962 0 141 HIS   AAA C   1 ? 11 
ATOM   4866 O O   . HIS   C 1 142 ? 11.465 3.939   -3.270  1.000 105.717 0 141 HIS   AAA O   1 ? 11 
ATOM   4867 C CB  . HIS   C 1 142 ? 11.313 0.626   -3.251  1.000 99.966  0 141 HIS   AAA CB  1 ? 11 
ATOM   4868 C CG  . HIS   C 1 142 ? 12.495 -0.291  -3.214  1.000 101.196 0 141 HIS   AAA CG  1 ? 11 
ATOM   4869 N ND1 . HIS   C 1 142 ? 13.579 -0.132  -4.053  1.000 106.568 0 141 HIS   AAA ND1 1 ? 11 
ATOM   4870 C CD2 . HIS   C 1 142 ? 12.770 -1.376  -2.454  1.000 99.025  0 141 HIS   AAA CD2 1 ? 11 
ATOM   4871 C CE1 . HIS   C 1 142 ? 14.462 -1.079  -3.812  1.000 106.239 0 141 HIS   AAA CE1 1 ? 11 
ATOM   4872 N NE2 . HIS   C 1 142 ? 13.997 -1.845  -2.823  1.000 102.298 0 141 HIS   AAA NE2 1 ? 11 
ATOM   4873 N N   . ARG   C 1 143 ? 9.395  3.191   -2.672  1.000 104.530 0 142 ARG   AAA N   1 ? 12 
ATOM   4874 C CA  . ARG   C 1 143 ? 8.623  4.394   -3.096  1.000 106.465 0 142 ARG   AAA CA  1 ? 12 
ATOM   4875 C C   . ARG   C 1 143 ? 9.008  5.592   -2.224  1.000 105.196 0 142 ARG   AAA C   1 ? 12 
ATOM   4876 O O   . ARG   C 1 143 ? 9.312  6.656   -2.791  1.000 104.106 0 142 ARG   AAA O   1 ? 12 
ATOM   4877 C CB  . ARG   C 1 143 ? 7.113  4.146   -3.033  1.000 110.483 0 142 ARG   AAA CB  1 ? 12 
ATOM   4878 C CG  . ARG   C 1 143 ? 6.588  3.268   -4.163  1.000 115.455 0 142 ARG   AAA CG  1 ? 12 
ATOM   4879 C CD  . ARG   C 1 143 ? 5.149  2.804   -4.000  1.000 120.456 0 142 ARG   AAA CD  1 ? 12 
ATOM   4880 N NE  . ARG   C 1 143 ? 4.239  3.912   -3.727  1.000 122.121 0 142 ARG   AAA NE  1 ? 12 
ATOM   4881 C CZ  . ARG   C 1 143 ? 3.536  4.086   -2.606  1.000 123.663 0 142 ARG   AAA CZ  1 ? 12 
ATOM   4882 N NH1 . ARG   C 1 143 ? 3.584  3.205   -1.620  1.000 124.708 0 142 ARG   AAA NH1 1 ? 12 
ATOM   4883 N NH2 . ARG   C 1 143 ? 2.759  5.149   -2.483  1.000 124.520 0 142 ARG   AAA NH2 1 ? 12 
ATOM   4884 N N   . ALA   C 1 144 ? 8.992  5.419   -0.900  1.000 104.919 0 143 ALA   AAA N   1 ? 12 
ATOM   4885 C CA  . ALA   C 1 144 ? 9.325  6.461   0.102   1.000 106.751 0 143 ALA   AAA CA  1 ? 12 
ATOM   4886 C C   . ALA   C 1 144 ? 10.731 7.018   -0.161  1.000 107.537 0 143 ALA   AAA C   1 ? 12 
ATOM   4887 O O   . ALA   C 1 144 ? 10.924 8.228   0.011   1.000 108.447 0 143 ALA   AAA O   1 ? 12 
ATOM   4888 C CB  . ALA   C 1 144 ? 9.220  5.903   1.503   1.000 107.786 0 143 ALA   AAA CB  1 ? 12 
ATOM   4889 N N   . CYS   C 1 145 ? 11.672 6.158   -0.557  1.000 107.789 0 144 CYS   AAA N   1 ? 12 
ATOM   4890 C CA  . CYS   C 1 145 ? 13.093 6.508   -0.826  1.000 108.398 0 144 CYS   AAA CA  1 ? 12 
ATOM   4891 C C   . CYS   C 1 145 ? 13.199 7.333   -2.117  1.000 109.043 0 144 CYS   AAA C   1 ? 12 
ATOM   4892 O O   . CYS   C 1 145 ? 13.859 8.396   -2.090  1.000 108.055 0 144 CYS   AAA O   1 ? 12 
ATOM   4893 C CB  . CYS   C 1 145 ? 13.945 5.251   -0.930  1.000 108.747 0 144 CYS   AAA CB  1 ? 12 
ATOM   4894 S SG  . CYS   C 1 145 ? 15.674 5.536   -0.488  1.000 111.605 0 144 CYS   AAA SG  1 ? 12 
ATOM   4895 N N   . ARG   C 1 146 ? 12.556 6.863   -3.194  1.000 108.542 0 145 ARG   AAA N   1 ? 12 
ATOM   4896 C CA  . ARG   C 1 146 ? 12.555 7.486   -4.549  1.000 109.111 0 145 ARG   AAA CA  1 ? 12 
ATOM   4897 C C   . ARG   C 1 146 ? 11.807 8.829   -4.506  1.000 108.158 0 145 ARG   AAA C   1 ? 12 
ATOM   4898 O O   . ARG   C 1 146 ? 12.307 9.801   -5.117  1.000 109.196 0 145 ARG   AAA O   1 ? 12 
ATOM   4899 C CB  . ARG   C 1 146 ? 11.937 6.523   -5.570  1.000 111.261 0 145 ARG   AAA CB  1 ? 12 
ATOM   4900 C CG  . ARG   C 1 146 ? 12.062 6.988   -7.014  1.000 115.651 0 145 ARG   AAA CG  1 ? 12 
ATOM   4901 C CD  . ARG   C 1 146 ? 11.049 6.388   -7.975  1.000 118.585 0 145 ARG   AAA CD  1 ? 12 
ATOM   4902 N NE  . ARG   C 1 146 ? 10.620 5.030   -7.639  1.000 120.638 0 145 ARG   AAA NE  1 ? 12 
ATOM   4903 C CZ  . ARG   C 1 146 ? 9.444  4.694   -7.094  1.000 122.453 0 145 ARG   AAA CZ  1 ? 12 
ATOM   4904 N NH1 . ARG   C 1 146 ? 8.556  5.621   -6.767  1.000 123.616 0 145 ARG   AAA NH1 1 ? 12 
ATOM   4905 N NH2 . ARG   C 1 146 ? 9.182  3.427   -6.814  1.000 121.374 0 145 ARG   AAA NH2 1 ? 12 
ATOM   4906 N N   . GLU   C 1 147 ? 10.677 8.897   -3.788  1.000 104.355 0 146 GLU   AAA N   1 ? 12 
ATOM   4907 C CA  . GLU   C 1 147 ? 9.862  10.134  -3.603  1.000 104.582 0 146 GLU   AAA CA  1 ? 12 
ATOM   4908 C C   . GLU   C 1 147 ? 10.469 11.010  -2.492  1.000 107.910 0 146 GLU   AAA C   1 ? 12 
ATOM   4909 O O   . GLU   C 1 147 ? 9.753  11.907  -1.997  1.000 108.126 0 146 GLU   AAA O   1 ? 12 
ATOM   4910 C CB  . GLU   C 1 147 ? 8.404  9.771   -3.297  1.000 100.866 0 146 GLU   AAA CB  1 ? 12 
ATOM   4911 C CG  . GLU   C 1 147 ? 7.702  9.074   -4.453  1.000 99.110  0 146 GLU   AAA CG  1 ? 12 
ATOM   4912 C CD  . GLU   C 1 147 ? 6.240  8.730   -4.218  1.000 97.973  0 146 GLU   AAA CD  1 ? 12 
ATOM   4913 O OE1 . GLU   C 1 147 ? 5.708  9.107   -3.159  1.000 96.479  0 146 GLU   AAA OE1 1 ? 12 
ATOM   4914 O OE2 . GLU   C 1 147 ? 5.647  8.063   -5.087  1.000 96.489  0 146 GLU   AAA OE2 1 ? 12 
ATOM   4915 N N   . LYS   C 1 148 ? 11.730 10.752  -2.116  1.000 110.631 0 147 LYS   AAA N   1 ? 13 
ATOM   4916 C CA  . LYS   C 1 148 ? 12.543 11.502  -1.114  1.000 111.201 0 147 LYS   AAA CA  1 ? 13 
ATOM   4917 C C   . LYS   C 1 148 ? 11.647 12.072  -0.005  1.000 110.261 0 147 LYS   AAA C   1 ? 13 
ATOM   4918 O O   . LYS   C 1 148 ? 11.827 13.249  0.350   1.000 111.190 0 147 LYS   AAA O   1 ? 13 
ATOM   4919 C CB  . LYS   C 1 148 ? 13.361 12.595  -1.812  1.000 114.133 0 147 LYS   AAA CB  1 ? 13 
ATOM   4920 C CG  . LYS   C 1 148 ? 14.207 12.110  -2.982  1.000 118.104 0 147 LYS   AAA CG  1 ? 13 
ATOM   4921 C CD  . LYS   C 1 148 ? 14.725 13.224  -3.862  1.000 120.412 0 147 LYS   AAA CD  1 ? 13 
ATOM   4922 C CE  . LYS   C 1 148 ? 13.622 13.936  -4.619  1.000 122.199 0 147 LYS   AAA CE  1 ? 13 
ATOM   4923 N NZ  . LYS   C 1 148 ? 14.161 14.788  -5.706  1.000 124.977 0 147 LYS   AAA NZ  1 ? 13 
ATOM   4924 N N   . ARG   C 1 149 ? 10.741 11.254  0.542   1.000 110.203 0 148 ARG   AAA N   1 ? 13 
ATOM   4925 C CA  . ARG   C 1 149 ? 9.881  11.612  1.704   1.000 108.743 0 148 ARG   AAA CA  1 ? 13 
ATOM   4926 C C   . ARG   C 1 149 ? 10.771 11.723  2.943   1.000 104.547 0 148 ARG   AAA C   1 ? 13 
ATOM   4927 O O   . ARG   C 1 149 ? 11.886 11.179  2.918   1.000 102.172 0 148 ARG   AAA O   1 ? 13 
ATOM   4928 C CB  . ARG   C 1 149 ? 8.775  10.579  1.933   1.000 111.838 0 148 ARG   AAA CB  1 ? 13 
ATOM   4929 C CG  . ARG   C 1 149 ? 7.811  10.439  0.763   1.000 116.351 0 148 ARG   AAA CG  1 ? 13 
ATOM   4930 C CD  . ARG   C 1 149 ? 6.603  9.581   1.075   1.000 118.127 0 148 ARG   AAA CD  1 ? 13 
ATOM   4931 N NE  . ARG   C 1 149 ? 5.586  10.297  1.835   1.000 118.879 0 148 ARG   AAA NE  1 ? 13 
ATOM   4932 C CZ  . ARG   C 1 149 ? 4.627  11.061  1.312   1.000 121.082 0 148 ARG   AAA CZ  1 ? 13 
ATOM   4933 N NH1 . ARG   C 1 149 ? 4.525  11.230  0.003   1.000 123.470 0 148 ARG   AAA NH1 1 ? 13 
ATOM   4934 N NH2 . ARG   C 1 149 ? 3.757  11.652  2.112   1.000 120.774 0 148 ARG   AAA NH2 1 ? 13 
ATOM   4935 N N   . ASP   C 1 150 ? 10.298 12.425  3.971   1.000 105.575 0 149 ASP   AAA N   1 ? 13 
ATOM   4936 C CA  . ASP   C 1 150 ? 11.062 12.673  5.222   1.000 105.767 0 149 ASP   AAA CA  1 ? 13 
ATOM   4937 C C   . ASP   C 1 150 ? 10.864 11.471  6.140   1.000 103.023 0 149 ASP   AAA C   1 ? 13 
ATOM   4938 O O   . ASP   C 1 150 ? 9.735  11.161  6.507   1.000 99.598  0 149 ASP   AAA O   1 ? 13 
ATOM   4939 C CB  . ASP   C 1 150 ? 10.639 13.989  5.883   1.000 107.394 0 149 ASP   AAA CB  1 ? 13 
ATOM   4940 C CG  . ASP   C 1 150 ? 11.536 14.442  7.026   1.000 109.368 0 149 ASP   AAA CG  1 ? 13 
ATOM   4941 O OD1 . ASP   C 1 150 ? 11.214 15.480  7.639   1.000 111.199 0 149 ASP   AAA OD1 1 ? 13 
ATOM   4942 O OD2 . ASP   C 1 150 ? 12.557 13.769  7.296   1.000 109.558 0 149 ASP   AAA OD2 1 ? 13 
ATOM   4943 N N   . PRO   C 1 151 ? 11.946 10.757  6.525   1.000 102.531 0 150 PRO   AAA N   1 ? 13 
ATOM   4944 C CA  . PRO   C 1 151 ? 11.855 9.684   7.517   1.000 103.553 0 150 PRO   AAA CA  1 ? 13 
ATOM   4945 C C   . PRO   C 1 151 ? 11.102 10.079  8.798   1.000 104.738 0 150 PRO   AAA C   1 ? 13 
ATOM   4946 O O   . PRO   C 1 151 ? 10.477 9.208   9.384   1.000 107.534 0 150 PRO   AAA O   1 ? 13 
ATOM   4947 C CB  . PRO   C 1 151 ? 13.324 9.377   7.855   1.000 103.336 0 150 PRO   AAA CB  1 ? 13 
ATOM   4948 C CG  . PRO   C 1 151 ? 14.075 9.755   6.595   1.000 103.581 0 150 PRO   AAA CG  1 ? 13 
ATOM   4949 C CD  . PRO   C 1 151 ? 13.312 10.921  6.002   1.000 102.414 0 150 PRO   AAA CD  1 ? 13 
ATOM   4950 N N   . ALA   C 1 152 ? 11.178 11.359  9.190   1.000 103.140 0 151 ALA   AAA N   1 ? 13 
ATOM   4951 C CA  . ALA   C 1 152 ? 10.591 11.913  10.435  1.000 103.248 0 151 ALA   AAA CA  1 ? 13 
ATOM   4952 C C   . ALA   C 1 152 ? 9.114  12.279  10.234  1.000 101.366 0 151 ALA   AAA C   1 ? 13 
ATOM   4953 O O   . ALA   C 1 152 ? 8.448  12.555  11.248  1.000 100.056 0 151 ALA   AAA O   1 ? 13 
ATOM   4954 C CB  . ALA   C 1 152 ? 11.395 13.107  10.887  1.000 104.595 0 151 ALA   AAA CB  1 ? 13 
ATOM   4955 N N   . SER   C 1 153 ? 8.618  12.272  8.990   1.000 90.425  0 152 SER   AAA N   1 ? 14 
ATOM   4956 C CA  . SER   C 1 153 ? 7.207  12.598  8.639   1.000 93.449  0 152 SER   AAA CA  1 ? 14 
ATOM   4957 C C   . SER   C 1 153 ? 6.266  11.601  9.313   1.000 97.374  0 152 SER   AAA C   1 ? 14 
ATOM   4958 O O   . SER   C 1 153 ? 6.709  10.545  9.755   1.000 99.565  0 152 SER   AAA O   1 ? 14 
ATOM   4959 C CB  . SER   C 1 153 ? 7.005  12.631  7.140   1.000 93.288  0 152 SER   AAA CB  1 ? 14 
ATOM   4960 O OG  . SER   C 1 153 ? 7.227  11.362  6.550   1.000 92.459  0 152 SER   AAA OG  1 ? 14 
ATOM   4961 N N   . PRO   C 1 154 ? 4.952  11.897  9.444   1.000 101.721 0 153 PRO   AAA N   1 ? 14 
ATOM   4962 C CA  . PRO   C 1 154 ? 3.990  10.901  9.923   1.000 103.300 0 153 PRO   AAA CA  1 ? 14 
ATOM   4963 C C   . PRO   C 1 154 ? 3.901  9.662   9.014   1.000 102.778 0 153 PRO   AAA C   1 ? 14 
ATOM   4964 O O   . PRO   C 1 154 ? 3.692  8.583   9.542   1.000 101.150 0 153 PRO   AAA O   1 ? 14 
ATOM   4965 C CB  . PRO   C 1 154 ? 2.644  11.651  9.945   1.000 103.395 0 153 PRO   AAA CB  1 ? 14 
ATOM   4966 C CG  . PRO   C 1 154 ? 3.030  13.116  9.994   1.000 103.615 0 153 PRO   AAA CG  1 ? 14 
ATOM   4967 C CD  . PRO   C 1 154 ? 4.321  13.205  9.204   1.000 103.140 0 153 PRO   AAA CD  1 ? 14 
ATOM   4968 N N   . GLU   C 1 155 ? 4.064  9.841   7.696   1.000 101.307 0 154 GLU   AAA N   1 ? 14 
ATOM   4969 C CA  . GLU   C 1 155 ? 3.966  8.759   6.677   1.000 101.232 0 154 GLU   AAA CA  1 ? 14 
ATOM   4970 C C   . GLU   C 1 155 ? 5.230  7.894   6.752   1.000 98.006  0 154 GLU   AAA C   1 ? 14 
ATOM   4971 O O   . GLU   C 1 155 ? 5.115  6.664   6.562   1.000 96.828  0 154 GLU   AAA O   1 ? 14 
ATOM   4972 C CB  . GLU   C 1 155 ? 3.779  9.328   5.265   1.000 102.803 0 154 GLU   AAA CB  1 ? 14 
ATOM   4973 C CG  . GLU   C 1 155 ? 2.499  10.130  5.090   1.000 106.127 0 154 GLU   AAA CG  1 ? 14 
ATOM   4974 C CD  . GLU   C 1 155 ? 2.600  11.631  5.335   1.000 106.195 0 154 GLU   AAA CD  1 ? 14 
ATOM   4975 O OE1 . GLU   C 1 155 ? 3.591  12.075  5.962   1.000 106.432 0 154 GLU   AAA OE1 1 ? 14 
ATOM   4976 O OE2 . GLU   C 1 155 ? 1.696  12.347  4.888   1.000 106.555 0 154 GLU   AAA OE2 1 ? 14 
ATOM   4977 N N   . GLY   C 1 156 ? 6.379  8.526   7.015   1.000 94.229  0 155 GLY   AAA N   1 ? 14 
ATOM   4978 C CA  . GLY   C 1 156 ? 7.667  7.857   7.267   1.000 92.102  0 155 GLY   AAA CA  1 ? 14 
ATOM   4979 C C   . GLY   C 1 156 ? 7.629  7.024   8.535   1.000 91.282  0 155 GLY   AAA C   1 ? 14 
ATOM   4980 O O   . GLY   C 1 156 ? 8.208  5.920   8.528   1.000 91.179  0 155 GLY   AAA O   1 ? 14 
ATOM   4981 N N   . GLN   C 1 157 ? 6.966  7.526   9.580   1.000 88.460  0 156 GLN   AAA N   1 ? 14 
ATOM   4982 C CA  . GLN   C 1 157 ? 6.818  6.837   10.890  1.000 87.039  0 156 GLN   AAA CA  1 ? 14 
ATOM   4983 C C   . GLN   C 1 157 ? 5.790  5.702   10.777  1.000 88.379  0 156 GLN   AAA C   1 ? 14 
ATOM   4984 O O   . GLN   C 1 157 ? 5.897  4.752   11.572  1.000 86.169  0 156 GLN   AAA O   1 ? 14 
ATOM   4985 C CB  . GLN   C 1 157 ? 6.425  7.832   11.982  1.000 84.985  0 156 GLN   AAA CB  1 ? 14 
ATOM   4986 C CG  . GLN   C 1 157 ? 7.571  8.731   12.416  1.000 83.968  0 156 GLN   AAA CG  1 ? 14 
ATOM   4987 C CD  . GLN   C 1 157 ? 8.757  7.936   12.904  1.000 83.369  0 156 GLN   AAA CD  1 ? 14 
ATOM   4988 O OE1 . GLN   C 1 157 ? 8.758  7.414   14.016  1.000 80.664  0 156 GLN   AAA OE1 1 ? 14 
ATOM   4989 N NE2 . GLN   C 1 157 ? 9.782  7.841   12.073  1.000 82.452  0 156 GLN   AAA NE2 1 ? 14 
ATOM   4990 N N   . GLN   C 1 158 ? 4.830  5.801   9.850   1.000 89.759  0 157 GLN   AAA N   1 ? 14 
ATOM   4991 C CA  . GLN   C 1 158 ? 3.853  4.713   9.564   1.000 91.650  0 157 GLN   AAA CA  1 ? 14 
ATOM   4992 C C   . GLN   C 1 158 ? 4.601  3.516   8.963   1.000 89.569  0 157 GLN   AAA C   1 ? 14 
ATOM   4993 O O   . GLN   C 1 158 ? 4.259  2.371   9.318   1.000 90.500  0 157 GLN   AAA O   1 ? 14 
ATOM   4994 C CB  . GLN   C 1 158 ? 2.732  5.199   8.636   1.000 93.989  0 157 GLN   AAA CB  1 ? 14 
ATOM   4995 C CG  . GLN   C 1 158 ? 1.454  5.598   9.369   1.000 98.059  0 157 GLN   AAA CG  1 ? 14 
ATOM   4996 C CD  . GLN   C 1 158 ? 0.719  6.757   8.731   1.000 101.991 0 157 GLN   AAA CD  1 ? 14 
ATOM   4997 O OE1 . GLN   C 1 158 ? 0.874  7.050   7.545   1.000 105.917 0 157 GLN   AAA OE1 1 ? 14 
ATOM   4998 N NE2 . GLN   C 1 158 ? -0.076 7.450   9.531   1.000 103.033 0 157 GLN   AAA NE2 1 ? 14 
ATOM   4999 N N   . LEU   C 1 159 ? 5.584  3.774   8.093   1.000 85.014  0 158 LEU   AAA N   1 ? 14 
ATOM   5000 C CA  . LEU   C 1 159 ? 6.431  2.727   7.466   1.000 82.982  0 158 LEU   AAA CA  1 ? 14 
ATOM   5001 C C   . LEU   C 1 159 ? 7.342  2.099   8.527   1.000 79.000  0 158 LEU   AAA C   1 ? 14 
ATOM   5002 O O   . LEU   C 1 159 ? 7.447  0.853   8.542   1.000 78.193  0 158 LEU   AAA O   1 ? 14 
ATOM   5003 C CB  . LEU   C 1 159 ? 7.241  3.330   6.313   1.000 83.816  0 158 LEU   AAA CB  1 ? 14 
ATOM   5004 C CG  . LEU   C 1 159 ? 6.440  3.685   5.059   1.000 86.236  0 158 LEU   AAA CG  1 ? 14 
ATOM   5005 C CD1 . LEU   C 1 159 ? 7.376  4.050   3.916   1.000 87.738  0 158 LEU   AAA CD1 1 ? 14 
ATOM   5006 C CD2 . LEU   C 1 159 ? 5.522  2.543   4.633   1.000 86.413  0 158 LEU   AAA CD2 1 ? 14 
ATOM   5007 N N   . ALA   C 1 160 ? 7.959  2.920   9.381   1.000 73.730  0 159 ALA   AAA N   1 ? 14 
ATOM   5008 C CA  . ALA   C 1 160 ? 8.829  2.466   10.490  1.000 72.368  0 159 ALA   AAA CA  1 ? 14 
ATOM   5009 C C   . ALA   C 1 160 ? 8.043  1.531   11.418  1.000 71.513  0 159 ALA   AAA C   1 ? 14 
ATOM   5010 O O   . ALA   C 1 160 ? 8.607  0.492   11.802  1.000 69.870  0 159 ALA   AAA O   1 ? 14 
ATOM   5011 C CB  . ALA   C 1 160 ? 9.393  3.648   11.241  1.000 72.060  0 159 ALA   AAA CB  1 ? 14 
ATOM   5012 N N   . GLN   C 1 161 ? 6.800  1.884   11.765  1.000 74.359  0 160 GLN   AAA N   1 ? 15 
ATOM   5013 C CA  . GLN   C 1 161 ? 5.913  1.070   12.647  1.000 75.061  0 160 GLN   AAA CA  1 ? 15 
ATOM   5014 C C   . GLN   C 1 161 ? 5.523  -0.239  11.944  1.000 71.003  0 160 GLN   AAA C   1 ? 15 
ATOM   5015 O O   . GLN   C 1 161 ? 5.441  -1.277  12.632  1.000 69.611  0 160 GLN   AAA O   1 ? 15 
ATOM   5016 C CB  . GLN   C 1 161 ? 4.650  1.844   13.033  1.000 80.043  0 160 GLN   AAA CB  1 ? 15 
ATOM   5017 C CG  . GLN   C 1 161 ? 4.915  2.998   13.990  1.000 85.526  0 160 GLN   AAA CG  1 ? 15 
ATOM   5018 C CD  . GLN   C 1 161 ? 5.114  2.576   15.426  1.000 87.157  0 160 GLN   AAA CD  1 ? 15 
ATOM   5019 O OE1 . GLN   C 1 161 ? 5.150  1.393   15.762  1.000 85.497  0 160 GLN   AAA OE1 1 ? 15 
ATOM   5020 N NE2 . GLN   C 1 161 ? 5.238  3.561   16.300  1.000 93.357  0 160 GLN   AAA NE2 1 ? 15 
ATOM   5021 N N   . ARG   C 1 162 ? 5.244  -0.186  10.640  1.000 69.254  0 161 ARG   AAA N   1 ? 15 
ATOM   5022 C CA  . ARG   C 1 162 ? 4.898  -1.384  9.834   1.000 67.931  0 161 ARG   AAA CA  1 ? 15 
ATOM   5023 C C   . ARG   C 1 162 ? 6.130  -2.296  9.778   1.000 65.093  0 161 ARG   AAA C   1 ? 15 
ATOM   5024 O O   . ARG   C 1 162 ? 5.977  -3.525  9.965   1.000 63.197  0 161 ARG   AAA O   1 ? 15 
ATOM   5025 C CB  . ARG   C 1 162 ? 4.418  -0.994  8.436   1.000 71.314  0 161 ARG   AAA CB  1 ? 15 
ATOM   5026 C CG  . ARG   C 1 162 ? 2.965  -0.539  8.379   1.000 76.067  0 161 ARG   AAA CG  1 ? 15 
ATOM   5027 C CD  . ARG   C 1 162 ? 2.578  -0.071  6.987   1.000 79.879  0 161 ARG   AAA CD  1 ? 15 
ATOM   5028 N NE  . ARG   C 1 162 ? 2.759  -1.144  6.013   1.000 81.227  0 161 ARG   AAA NE  1 ? 15 
ATOM   5029 C CZ  . ARG   C 1 162 ? 2.971  -0.980  4.706   1.000 82.842  0 161 ARG   AAA CZ  1 ? 15 
ATOM   5030 N NH1 . ARG   C 1 162 ? 3.030  0.232   4.177   1.000 83.902  0 161 ARG   AAA NH1 1 ? 15 
ATOM   5031 N NH2 . ARG   C 1 162 ? 3.133  -2.043  3.932   1.000 81.295  0 161 ARG   AAA NH2 1 ? 15 
ATOM   5032 N N   . TRP   C 1 163 ? 7.314  -1.713  9.575   1.000 63.645  0 162 TRP   AAA N   1 ? 15 
ATOM   5033 C CA  . TRP   C 1 163 ? 8.596  -2.454  9.603   1.000 59.817  0 162 TRP   AAA CA  1 ? 15 
ATOM   5034 C C   . TRP   C 1 163 ? 8.739  -3.136  10.965  1.000 58.778  0 162 TRP   AAA C   1 ? 15 
ATOM   5035 O O   . TRP   C 1 163 ? 8.989  -4.369  10.994  1.000 57.119  0 162 TRP   AAA O   1 ? 15 
ATOM   5036 C CB  . TRP   C 1 163 ? 9.802  -1.561  9.292   1.000 62.448  0 162 TRP   AAA CB  1 ? 15 
ATOM   5037 C CG  . TRP   C 1 163 ? 11.073 -2.277  9.612   1.000 62.099  0 162 TRP   AAA CG  1 ? 15 
ATOM   5038 C CD1 . TRP   C 1 163 ? 11.765 -3.124  8.796   1.000 59.886  0 162 TRP   AAA CD1 1 ? 15 
ATOM   5039 C CD2 . TRP   C 1 163 ? 11.740 -2.294  10.884  1.000 61.866  0 162 TRP   AAA CD2 1 ? 15 
ATOM   5040 N NE1 . TRP   C 1 163 ? 12.835 -3.649  9.468   1.000 59.485  0 162 TRP   AAA NE1 1 ? 15 
ATOM   5041 C CE2 . TRP   C 1 163 ? 12.843 -3.164  10.752  1.000 60.814  0 162 TRP   AAA CE2 1 ? 15 
ATOM   5042 C CE3 . TRP   C 1 163 ? 11.525 -1.652  12.107  1.000 62.572  0 162 TRP   AAA CE3 1 ? 15 
ATOM   5043 C CZ2 . TRP   C 1 163 ? 13.733 -3.386  11.802  1.000 60.087  0 162 TRP   AAA CZ2 1 ? 15 
ATOM   5044 C CZ3 . TRP   C 1 163 ? 12.396 -1.884  13.148  1.000 63.826  0 162 TRP   AAA CZ3 1 ? 15 
ATOM   5045 C CH2 . TRP   C 1 163 ? 13.491 -2.738  12.993  1.000 62.032  0 162 TRP   AAA CH2 1 ? 15 
ATOM   5046 N N   . LEU   C 1 164 ? 8.561  -2.381  12.049  1.000 58.214  0 163 LEU   AAA N   1 ? 15 
ATOM   5047 C CA  . LEU   C 1 164 ? 8.769  -2.884  13.434  1.000 58.733  0 163 LEU   AAA CA  1 ? 15 
ATOM   5048 C C   . LEU   C 1 164 ? 7.870  -4.100  13.676  1.000 57.769  0 163 LEU   AAA C   1 ? 15 
ATOM   5049 O O   . LEU   C 1 164 ? 8.366  -5.093  14.244  1.000 57.303  0 163 LEU   AAA O   1 ? 15 
ATOM   5050 C CB  . LEU   C 1 164 ? 8.482  -1.782  14.452  1.000 62.123  0 163 LEU   AAA CB  1 ? 15 
ATOM   5051 C CG  . LEU   C 1 164 ? 8.707  -2.175  15.910  1.000 62.546  0 163 LEU   AAA CG  1 ? 15 
ATOM   5052 C CD1 . LEU   C 1 164 ? 10.170 -2.486  16.167  1.000 61.240  0 163 LEU   AAA CD1 1 ? 15 
ATOM   5053 C CD2 . LEU   C 1 164 ? 8.211  -1.099  16.855  1.000 67.377  0 163 LEU   AAA CD2 1 ? 15 
ATOM   5054 N N   . ALA   C 1 165 ? 6.611  -4.035  13.245  1.000 58.098  0 164 ALA   AAA N   1 ? 15 
ATOM   5055 C CA  . ALA   C 1 165 ? 5.627  -5.125  13.438  1.000 59.699  0 164 ALA   AAA CA  1 ? 15 
ATOM   5056 C C   . ALA   C 1 165 ? 6.112  -6.393  12.713  1.000 56.017  0 164 ALA   AAA C   1 ? 15 
ATOM   5057 O O   . ALA   C 1 165 ? 6.070  -7.479  13.319  1.000 58.212  0 164 ALA   AAA O   1 ? 15 
ATOM   5058 C CB  . ALA   C 1 165 ? 4.253  -4.691  12.979  1.000 61.429  0 164 ALA   AAA CB  1 ? 15 
ATOM   5059 N N   . LEU   C 1 166 ? 6.538  -6.282  11.456  1.000 53.738  0 165 LEU   AAA N   1 ? 15 
ATOM   5060 C CA  . LEU   C 1 166 ? 6.960  -7.465  10.667  1.000 53.927  0 165 LEU   AAA CA  1 ? 15 
ATOM   5061 C C   . LEU   C 1 166 ? 8.258  -8.032  11.261  1.000 53.331  0 165 LEU   AAA C   1 ? 15 
ATOM   5062 O O   . LEU   C 1 166 ? 8.329  -9.262  11.456  1.000 51.847  0 165 LEU   AAA O   1 ? 15 
ATOM   5063 C CB  . LEU   C 1 166 ? 7.132  -7.080  9.197   1.000 55.504  0 165 LEU   AAA CB  1 ? 15 
ATOM   5064 C CG  . LEU   C 1 166 ? 5.839  -6.856  8.424   1.000 60.108  0 165 LEU   AAA CG  1 ? 15 
ATOM   5065 C CD1 . LEU   C 1 166 ? 6.126  -6.687  6.945   1.000 62.137  0 165 LEU   AAA CD1 1 ? 15 
ATOM   5066 C CD2 . LEU   C 1 166 ? 4.857  -7.995  8.650   1.000 62.144  0 165 LEU   AAA CD2 1 ? 15 
ATOM   5067 N N   . PHE   C 1 167 ? 9.223  -7.160  11.569  1.000 52.284  0 166 PHE   AAA N   1 ? 15 
ATOM   5068 C CA  . PHE   C 1 167 ? 10.497 -7.512  12.249  1.000 50.788  0 166 PHE   AAA CA  1 ? 15 
ATOM   5069 C C   . PHE   C 1 167 ? 10.205 -8.271  13.553  1.000 50.320  0 166 PHE   AAA C   1 ? 15 
ATOM   5070 O O   . PHE   C 1 167 ? 10.738 -9.381  13.767  1.000 49.282  0 166 PHE   AAA O   1 ? 15 
ATOM   5071 C CB  . PHE   C 1 167 ? 11.339 -6.267  12.529  1.000 50.422  0 166 PHE   AAA CB  1 ? 15 
ATOM   5072 C CG  . PHE   C 1 167 ? 12.531 -6.544  13.407  1.000 48.908  0 166 PHE   AAA CG  1 ? 15 
ATOM   5073 C CD1 . PHE   C 1 167 ? 13.653 -7.160  12.885  1.000 47.935  0 166 PHE   AAA CD1 1 ? 15 
ATOM   5074 C CD2 . PHE   C 1 167 ? 12.516 -6.239  14.760  1.000 49.766  0 166 PHE   AAA CD2 1 ? 15 
ATOM   5075 C CE1 . PHE   C 1 167 ? 14.746 -7.439  13.685  1.000 46.348  0 166 PHE   AAA CE1 1 ? 15 
ATOM   5076 C CE2 . PHE   C 1 167 ? 13.615 -6.510  15.562  1.000 50.569  0 166 PHE   AAA CE2 1 ? 15 
ATOM   5077 C CZ  . PHE   C 1 167 ? 14.723 -7.127  15.020  1.000 48.106  0 166 PHE   AAA CZ  1 ? 15 
ATOM   5078 N N   . GLN   C 1 168 ? 9.395  -7.684  14.432  1.000 51.691  0 167 GLN   AAA N   1 ? 15 
ATOM   5079 C CA  . GLN   C 1 168 ? 9.084  -8.303  15.750  1.000 53.061  0 167 GLN   AAA CA  1 ? 15 
ATOM   5080 C C   . GLN   C 1 168 ? 8.368  -9.648  15.551  1.000 52.486  0 167 GLN   AAA C   1 ? 15 
ATOM   5081 O O   . GLN   C 1 168 ? 8.474  -10.487 16.452  1.000 51.211  0 167 GLN   AAA O   1 ? 15 
ATOM   5082 C CB  . GLN   C 1 168 ? 8.278  -7.344  16.620  1.000 55.464  0 167 GLN   AAA CB  1 ? 15 
ATOM   5083 C CG  . GLN   C 1 168 ? 9.125  -6.208  17.163  1.000 56.221  0 167 GLN   AAA CG  1 ? 15 
ATOM   5084 C CD  . GLN   C 1 168 ? 8.328  -5.260  18.019  1.000 60.183  0 167 GLN   AAA CD  1 ? 15 
ATOM   5085 O OE1 . GLN   C 1 168 ? 7.112  -5.165  17.908  1.000 65.066  0 167 GLN   AAA OE1 1 ? 15 
ATOM   5086 N NE2 . GLN   C 1 168 ? 9.014  -4.560  18.902  1.000 62.852  0 167 GLN   AAA NE2 1 ? 15 
ATOM   5087 N N   . SER   C 1 169 ? 7.686  -9.866  14.420  1.000 52.988  0 168 SER   AAA N   1 ? 15 
ATOM   5088 C CA  . SER   C 1 169 ? 6.987  -11.148 14.151  1.000 56.602  0 168 SER   AAA CA  1 ? 15 
ATOM   5089 C C   . SER   C 1 169 ? 8.001  -12.297 14.103  1.000 55.397  0 168 SER   AAA C   1 ? 15 
ATOM   5090 O O   . SER   C 1 169 ? 7.590  -13.418 14.447  1.000 60.300  0 168 SER   AAA O   1 ? 15 
ATOM   5091 C CB  . SER   C 1 169 ? 6.105  -11.102 12.928  1.000 57.828  0 168 SER   AAA CB  1 ? 15 
ATOM   5092 O OG  . SER   C 1 169 ? 6.837  -11.270 11.726  1.000 58.456  0 168 SER   AAA OG  1 ? 15 
ATOM   5093 N N   . TYR   C 1 170 ? 9.267  -12.054 13.733  1.000 50.449  0 169 TYR   AAA N   1 ? 15 
ATOM   5094 C CA  . TYR   C 1 170 ? 10.301 -13.124 13.702  1.000 51.031  0 169 TYR   AAA CA  1 ? 15 
ATOM   5095 C C   . TYR   C 1 170 ? 11.394 -12.906 14.766  1.000 49.865  0 169 TYR   AAA C   1 ? 15 
ATOM   5096 O O   . TYR   C 1 170 ? 11.989 -13.897 15.212  1.000 53.483  0 169 TYR   AAA O   1 ? 15 
ATOM   5097 C CB  . TYR   C 1 170 ? 10.864 -13.317 12.289  1.000 50.365  0 169 TYR   AAA CB  1 ? 15 
ATOM   5098 C CG  . TYR   C 1 170 ? 11.799 -12.253 11.772  1.000 49.010  0 169 TYR   AAA CG  1 ? 15 
ATOM   5099 C CD1 . TYR   C 1 170 ? 13.090 -12.113 12.255  1.000 47.962  0 169 TYR   AAA CD1 1 ? 15 
ATOM   5100 C CD2 . TYR   C 1 170 ? 11.405 -11.417 10.745  1.000 51.767  0 169 TYR   AAA CD2 1 ? 15 
ATOM   5101 C CE1 . TYR   C 1 170 ? 13.960 -11.163 11.737  1.000 48.891  0 169 TYR   AAA CE1 1 ? 15 
ATOM   5102 C CE2 . TYR   C 1 170 ? 12.249 -10.447 10.233  1.000 50.894  0 169 TYR   AAA CE2 1 ? 15 
ATOM   5103 C CZ  . TYR   C 1 170 ? 13.534 -10.331 10.721  1.000 49.520  0 169 TYR   AAA CZ  1 ? 15 
ATOM   5104 O OH  . TYR   C 1 170 ? 14.348 -9.375  10.200  1.000 54.318  0 169 TYR   AAA OH  1 ? 15 
ATOM   5105 N N   . ALA   C 1 171 ? 11.700 -11.667 15.136  1.000 48.449  0 170 ALA   AAA N   1 ? 15 
ATOM   5106 C CA  . ALA   C 1 171 ? 12.645 -11.331 16.224  1.000 50.571  0 170 ALA   AAA CA  1 ? 15 
ATOM   5107 C C   . ALA   C 1 171 ? 11.756 -11.312 17.463  1.000 56.147  0 170 ALA   AAA C   1 ? 15 
ATOM   5108 O O   . ALA   C 1 171 ? 10.530 -11.382 17.239  1.000 61.272  0 170 ALA   AAA O   1 ? 15 
ATOM   5109 C CB  . ALA   C 1 171 ? 13.274 -9.991  15.931  1.000 48.391  0 170 ALA   AAA CB  1 ? 15 
ATOM   5110 N N   . GLY   C 1 172 ? 12.203 -11.144 18.704  1.000 60.559  0 171 GLY   AAA N   1 ? 15 
ATOM   5111 C CA  . GLY   C 1 172 ? 11.156 -10.955 19.754  1.000 64.999  0 171 GLY   AAA CA  1 ? 15 
ATOM   5112 C C   . GLY   C 1 172 ? 10.562 -9.545  19.751  1.000 64.013  0 171 GLY   AAA C   1 ? 15 
ATOM   5113 O O   . GLY   C 1 172 ? 10.784 -8.788  18.777  1.000 60.049  0 171 GLY   AAA O   1 ? 15 
ATOM   5114 N N   . LYS   C 1 173 ? 9.971  -9.138  20.872  1.000 68.218  0 172 LYS   AAA N   1 ? 15 
ATOM   5115 C CA  . LYS   C 1 173 ? 9.695  -7.708  21.199  1.000 69.753  0 172 LYS   AAA CA  1 ? 15 
ATOM   5116 C C   . LYS   C 1 173 ? 10.727 -7.181  22.211  1.000 68.200  0 172 LYS   AAA C   1 ? 15 
ATOM   5117 O O   . LYS   C 1 173 ? 10.519 -6.095  22.753  1.000 72.403  0 172 LYS   AAA O   1 ? 15 
ATOM   5118 C CB  . LYS   C 1 173 ? 8.264  -7.594  21.726  1.000 75.647  0 172 LYS   AAA CB  1 ? 15 
ATOM   5119 C CG  . LYS   C 1 173 ? 7.195  -7.906  20.687  1.000 76.728  0 172 LYS   AAA CG  1 ? 15 
ATOM   5120 C CD  . LYS   C 1 173 ? 5.769  -7.785  21.217  1.000 84.697  0 172 LYS   AAA CD  1 ? 15 
ATOM   5121 C CE  . LYS   C 1 173 ? 4.754  -7.243  20.220  1.000 87.398  0 172 LYS   AAA CE  1 ? 15 
ATOM   5122 N NZ  . LYS   C 1 173 ? 4.844  -7.901  18.892  1.000 84.792  0 172 LYS   AAA NZ  1 ? 15 
ATOM   5123 N N   . ASP   C 1 174 ? 11.803 -7.928  22.457  1.000 64.236  0 173 ASP   AAA N   1 ? 15 
ATOM   5124 C CA  . ASP   C 1 174 ? 12.854 -7.563  23.436  1.000 66.967  0 173 ASP   AAA CA  1 ? 15 
ATOM   5125 C C   . ASP   C 1 174 ? 13.821 -6.576  22.771  1.000 63.901  0 173 ASP   AAA C   1 ? 15 
ATOM   5126 O O   . ASP   C 1 174 ? 14.359 -6.885  21.680  1.000 58.365  0 173 ASP   AAA O   1 ? 15 
ATOM   5127 C CB  . ASP   C 1 174 ? 13.541 -8.819  23.973  1.000 68.755  0 173 ASP   AAA CB  1 ? 15 
ATOM   5128 C CG  . ASP   C 1 174 ? 14.579 -8.537  25.044  1.000 73.696  0 173 ASP   AAA CG  1 ? 15 
ATOM   5129 O OD1 . ASP   C 1 174 ? 15.715 -8.220  24.667  1.000 74.100  0 173 ASP   AAA OD1 1 ? 15 
ATOM   5130 O OD2 . ASP   C 1 174 ? 14.235 -8.615  26.245  1.000 79.656  0 173 ASP   AAA OD2 1 ? 15 
ATOM   5131 N N   . ALA   C 1 175 ? 14.028 -5.419  23.399  1.000 66.816  0 174 ALA   AAA N   1 ? 15 
ATOM   5132 C CA  . ALA   C 1 175 ? 14.847 -4.303  22.864  1.000 67.485  0 174 ALA   AAA CA  1 ? 15 
ATOM   5133 C C   . ALA   C 1 175 ? 16.292 -4.776  22.660  1.000 65.559  0 174 ALA   AAA C   1 ? 15 
ATOM   5134 O O   . ALA   C 1 175 ? 16.899 -4.366  21.673  1.000 63.782  0 174 ALA   AAA O   1 ? 15 
ATOM   5135 C CB  . ALA   C 1 175 ? 14.773 -3.102  23.781  1.000 71.593  0 174 ALA   AAA CB  1 ? 15 
ATOM   5136 N N   . GLN   C 1 176 ? 16.814 -5.612  23.556  1.000 68.379  0 175 GLN   AAA N   1 ? 15 
ATOM   5137 C CA  . GLN   C 1 176 ? 18.209 -6.119  23.490  1.000 68.980  0 175 GLN   AAA CA  1 ? 15 
ATOM   5138 C C   . GLN   C 1 176 ? 18.345 -7.059  22.282  1.000 63.305  0 175 GLN   AAA C   1 ? 15 
ATOM   5139 O O   . GLN   C 1 176 ? 19.333 -6.928  21.550  1.000 61.477  0 175 GLN   AAA O   1 ? 15 
ATOM   5140 C CB  . GLN   C 1 176 ? 18.611 -6.782  24.811  1.000 74.729  0 175 GLN   AAA CB  1 ? 15 
ATOM   5141 C CG  . GLN   C 1 176 ? 20.119 -6.982  24.921  1.000 79.345  0 175 GLN   AAA CG  1 ? 15 
ATOM   5142 C CD  . GLN   C 1 176 ? 20.521 -8.075  25.882  1.000 84.411  0 175 GLN   AAA CD  1 ? 15 
ATOM   5143 O OE1 . GLN   C 1 176 ? 19.953 -8.206  26.964  1.000 90.861  0 175 GLN   AAA OE1 1 ? 15 
ATOM   5144 N NE2 . GLN   C 1 176 ? 21.511 -8.867  25.492  1.000 84.417  0 175 GLN   AAA NE2 1 ? 15 
ATOM   5145 N N   . THR   C 1 177 ? 17.376 -7.945  22.043  1.000 50.053  0 176 THR   AAA N   1 ? 16 
ATOM   5146 C CA  . THR   C 1 177 ? 17.361 -8.835  20.854  1.000 47.892  0 176 THR   AAA CA  1 ? 16 
ATOM   5147 C C   . THR   C 1 177 ? 17.408 -7.972  19.587  1.000 46.475  0 176 THR   AAA C   1 ? 16 
ATOM   5148 O O   . THR   C 1 177 ? 18.194 -8.289  18.681  1.000 45.821  0 176 THR   AAA O   1 ? 16 
ATOM   5149 C CB  . THR   C 1 177 ? 16.162 -9.795  20.879  1.000 47.983  0 176 THR   AAA CB  1 ? 16 
ATOM   5150 O OG1 . THR   C 1 177 ? 16.219 -10.565 22.079  1.000 50.271  0 176 THR   AAA OG1 1 ? 16 
ATOM   5151 C CG2 . THR   C 1 177 ? 16.145 -10.742 19.702  1.000 45.974  0 176 THR   AAA CG2 1 ? 16 
ATOM   5152 N N   . GLN   C 1 178 ? 16.621 -6.901  19.530  1.000 48.168  0 177 GLN   AAA N   1 ? 16 
ATOM   5153 C CA  . GLN   C 1 178 ? 16.592 -6.006  18.346  1.000 50.434  0 177 GLN   AAA CA  1 ? 16 
ATOM   5154 C C   . GLN   C 1 178 ? 17.994 -5.415  18.114  1.000 49.270  0 177 GLN   AAA C   1 ? 16 
ATOM   5155 O O   . GLN   C 1 178 ? 18.388 -5.315  16.956  1.000 48.827  0 177 GLN   AAA O   1 ? 16 
ATOM   5156 C CB  . GLN   C 1 178 ? 15.548 -4.900  18.507  1.000 54.220  0 177 GLN   AAA CB  1 ? 16 
ATOM   5157 C CG  . GLN   C 1 178 ? 15.529 -3.937  17.324  1.000 54.910  0 177 GLN   AAA CG  1 ? 16 
ATOM   5158 C CD  . GLN   C 1 178 ? 14.462 -2.886  17.449  1.000 59.200  0 177 GLN   AAA CD  1 ? 16 
ATOM   5159 O OE1 . GLN   C 1 178 ? 13.347 -3.156  17.891  1.000 61.960  0 177 GLN   AAA OE1 1 ? 16 
ATOM   5160 N NE2 . GLN   C 1 178 ? 14.805 -1.675  17.051  1.000 61.638  0 177 GLN   AAA NE2 1 ? 16 
ATOM   5161 N N   . GLN   C 1 179 ? 18.724 -5.058  19.168  1.000 49.657  0 178 GLN   AAA N   1 ? 16 
ATOM   5162 C CA  . GLN   C 1 179 ? 20.103 -4.511  19.042  1.000 53.018  0 178 GLN   AAA CA  1 ? 16 
ATOM   5163 C C   . GLN   C 1 179 ? 21.026 -5.569  18.424  1.000 49.068  0 178 GLN   AAA C   1 ? 16 
ATOM   5164 O O   . GLN   C 1 179 ? 21.958 -5.195  17.677  1.000 51.759  0 178 GLN   AAA O   1 ? 16 
ATOM   5165 C CB  . GLN   C 1 179 ? 20.653 -4.066  20.399  1.000 55.181  0 178 GLN   AAA CB  1 ? 16 
ATOM   5166 C CG  . GLN   C 1 179 ? 19.912 -2.908  21.033  1.000 58.749  0 178 GLN   AAA CG  1 ? 16 
ATOM   5167 C CD  . GLN   C 1 179 ? 20.256 -2.698  22.493  1.000 60.639  0 178 GLN   AAA CD  1 ? 16 
ATOM   5168 O OE1 . GLN   C 1 179 ? 20.675 -3.603  23.217  1.000 60.217  0 178 GLN   AAA OE1 1 ? 16 
ATOM   5169 N NE2 . GLN   C 1 179 ? 20.086 -1.469  22.940  1.000 62.502  0 178 GLN   AAA NE2 1 ? 16 
ATOM   5170 N N   . LYS   C 1 180 ? 20.776 -6.849  18.699  1.000 48.525  0 179 LYS   AAA N   1 ? 16 
ATOM   5171 C CA  . LYS   C 1 180 ? 21.611 -7.943  18.145  1.000 46.874  0 179 LYS   AAA CA  1 ? 16 
ATOM   5172 C C   . LYS   C 1 180 ? 21.363 -8.079  16.645  1.000 46.339  0 179 LYS   AAA C   1 ? 16 
ATOM   5173 O O   . LYS   C 1 180 ? 22.338 -8.328  15.906  1.000 47.151  0 179 LYS   AAA O   1 ? 16 
ATOM   5174 C CB  . LYS   C 1 180 ? 21.334 -9.245  18.881  1.000 48.222  0 179 LYS   AAA CB  1 ? 16 
ATOM   5175 C CG  . LYS   C 1 180 ? 21.703 -9.219  20.356  1.000 51.363  0 179 LYS   AAA CG  1 ? 16 
ATOM   5176 C CD  . LYS   C 1 180 ? 21.751 -10.591 20.935  1.000 54.008  0 179 LYS   AAA CD  1 ? 16 
ATOM   5177 C CE  . LYS   C 1 180 ? 21.628 -10.621 22.434  1.000 58.320  0 179 LYS   AAA CE  1 ? 16 
ATOM   5178 N NZ  . LYS   C 1 180 ? 21.755 -12.020 22.901  1.000 62.671  0 179 LYS   AAA NZ  1 ? 16 
ATOM   5179 N N   . PHE   C 1 181 ? 20.113 -7.928  16.205  1.000 45.467  0 180 PHE   AAA N   1 ? 16 
ATOM   5180 C CA  . PHE   C 1 181 ? 19.763 -7.977  14.763  1.000 46.407  0 180 PHE   AAA CA  1 ? 16 
ATOM   5181 C C   . PHE   C 1 181 ? 20.412 -6.775  14.069  1.000 46.958  0 180 PHE   AAA C   1 ? 16 
ATOM   5182 O O   . PHE   C 1 181 ? 20.972 -6.943  12.981  1.000 47.042  0 180 PHE   AAA O   1 ? 16 
ATOM   5183 C CB  . PHE   C 1 181 ? 18.252 -8.059  14.561  1.000 47.275  0 180 PHE   AAA CB  1 ? 16 
ATOM   5184 C CG  . PHE   C 1 181 ? 17.695 -9.457  14.671  1.000 46.125  0 180 PHE   AAA CG  1 ? 16 
ATOM   5185 C CD1 . PHE   C 1 181 ? 17.675 -10.313 13.579  1.000 45.876  0 180 PHE   AAA CD1 1 ? 16 
ATOM   5186 C CD2 . PHE   C 1 181 ? 17.175 -9.910  15.873  1.000 45.293  0 180 PHE   AAA CD2 1 ? 16 
ATOM   5187 C CE1 . PHE   C 1 181 ? 17.121 -11.577 13.690  1.000 47.232  0 180 PHE   AAA CE1 1 ? 16 
ATOM   5188 C CE2 . PHE   C 1 181 ? 16.616 -11.175 15.976  1.000 45.961  0 180 PHE   AAA CE2 1 ? 16 
ATOM   5189 C CZ  . PHE   C 1 181 ? 16.597 -12.012 14.888  1.000 47.202  0 180 PHE   AAA CZ  1 ? 16 
ATOM   5190 N N   . ARG   C 1 182 ? 20.366 -5.602  14.697  1.000 47.960  0 181 ARG   AAA N   1 ? 16 
ATOM   5191 C CA  . ARG   C 1 182 ? 21.033 -4.382  14.168  1.000 49.723  0 181 ARG   AAA CA  1 ? 16 
ATOM   5192 C C   . ARG   C 1 182 ? 22.528 -4.668  13.972  1.000 49.419  0 181 ARG   AAA C   1 ? 16 
ATOM   5193 O O   . ARG   C 1 182 ? 23.033 -4.440  12.853  1.000 50.010  0 181 ARG   AAA O   1 ? 16 
ATOM   5194 C CB  . ARG   C 1 182 ? 20.841 -3.198  15.113  1.000 51.164  0 181 ARG   AAA CB  1 ? 16 
ATOM   5195 C CG  . ARG   C 1 182 ? 21.378 -1.888  14.566  1.000 54.131  0 181 ARG   AAA CG  1 ? 16 
ATOM   5196 C CD  . ARG   C 1 182 ? 21.526 -0.859  15.666  1.000 55.787  0 181 ARG   AAA CD  1 ? 16 
ATOM   5197 N NE  . ARG   C 1 182 ? 22.336 0.252   15.196  1.000 58.643  0 181 ARG   AAA NE  1 ? 16 
ATOM   5198 C CZ  . ARG   C 1 182 ? 22.364 1.467   15.734  1.000 59.537  0 181 ARG   AAA CZ  1 ? 16 
ATOM   5199 N NH1 . ARG   C 1 182 ? 21.635 1.755   16.797  1.000 58.697  0 181 ARG   AAA NH1 1 ? 16 
ATOM   5200 N NH2 . ARG   C 1 182 ? 23.137 2.391   15.200  1.000 63.944  0 181 ARG   AAA NH2 1 ? 16 
ATOM   5201 N N   . TYR   C 1 183 ? 23.194 -5.172  15.014  1.000 48.826  0 182 TYR   AAA N   1 ? 16 
ATOM   5202 C CA  . TYR   C 1 183 ? 24.648 -5.471  14.999  1.000 50.738  0 182 TYR   AAA CA  1 ? 16 
ATOM   5203 C C   . TYR   C 1 183 ? 24.960 -6.460  13.869  1.000 49.599  0 182 TYR   AAA C   1 ? 16 
ATOM   5204 O O   . TYR   C 1 183 ? 25.901 -6.205  13.098  1.000 51.200  0 182 TYR   AAA O   1 ? 16 
ATOM   5205 C CB  . TYR   C 1 183 ? 25.132 -5.993  16.353  1.000 51.031  0 182 TYR   AAA CB  1 ? 16 
ATOM   5206 C CG  . TYR   C 1 183 ? 26.629 -6.197  16.426  1.000 54.773  0 182 TYR   AAA CG  1 ? 16 
ATOM   5207 C CD1 . TYR   C 1 183 ? 27.522 -5.179  16.106  1.000 57.541  0 182 TYR   AAA CD1 1 ? 16 
ATOM   5208 C CD2 . TYR   C 1 183 ? 27.154 -7.407  16.839  1.000 54.090  0 182 TYR   AAA CD2 1 ? 16 
ATOM   5209 C CE1 . TYR   C 1 183 ? 28.888 -5.377  16.163  1.000 61.215  0 182 TYR   AAA CE1 1 ? 16 
ATOM   5210 C CE2 . TYR   C 1 183 ? 28.523 -7.618  16.909  1.000 56.582  0 182 TYR   AAA CE2 1 ? 16 
ATOM   5211 C CZ  . TYR   C 1 183 ? 29.393 -6.603  16.565  1.000 60.804  0 182 TYR   AAA CZ  1 ? 16 
ATOM   5212 O OH  . TYR   C 1 183 ? 30.744 -6.802  16.658  1.000 65.173  0 182 TYR   AAA OH  1 ? 16 
ATOM   5213 N N   . ALA   C 1 184 ? 24.180 -7.534  13.764  1.000 46.787  0 183 ALA   AAA N   1 ? 16 
ATOM   5214 C CA  . ALA   C 1 184 ? 24.325 -8.561  12.711  1.000 46.876  0 183 ALA   AAA CA  1 ? 16 
ATOM   5215 C C   . ALA   C 1 184 ? 24.296 -7.908  11.327  1.000 49.116  0 183 ALA   AAA C   1 ? 16 
ATOM   5216 O O   . ALA   C 1 184 ? 25.172 -8.223  10.492  1.000 51.523  0 183 ALA   AAA O   1 ? 16 
ATOM   5217 C CB  . ALA   C 1 184 ? 23.246 -9.596  12.834  1.000 45.116  0 183 ALA   AAA CB  1 ? 16 
ATOM   5218 N N   A MET   C 1 185 ? 23.310 -7.037  11.081  0.500 51.005  0 184 MET   AAA N   1 ? 16 
ATOM   5219 N N   B MET   C 1 185 ? 23.303 -7.052  11.082  0.500 50.971  0 184 MET   AAA N   1 ? 16 
ATOM   5220 C CA  A MET   C 1 185 ? 23.144 -6.356  9.771   0.500 54.595  0 184 MET   AAA CA  1 ? 16 
ATOM   5221 C CA  B MET   C 1 185 ? 23.115 -6.323  9.801   0.500 54.586  0 184 MET   AAA CA  1 ? 16 
ATOM   5222 C C   A MET   C 1 185 ? 24.389 -5.506  9.483   0.500 55.565  0 184 MET   AAA C   1 ? 16 
ATOM   5223 C C   B MET   C 1 185 ? 24.343 -5.463  9.481   0.500 55.508  0 184 MET   AAA C   1 ? 16 
ATOM   5224 O O   A MET   C 1 185 ? 24.873 -5.553  8.331   0.500 56.769  0 184 MET   AAA O   1 ? 16 
ATOM   5225 O O   B MET   C 1 185 ? 24.727 -5.403  8.300   0.500 56.536  0 184 MET   AAA O   1 ? 16 
ATOM   5226 C CB  A MET   C 1 185 ? 21.931 -5.428  9.759   0.500 58.257  0 184 MET   AAA CB  1 ? 16 
ATOM   5227 C CB  B MET   C 1 185 ? 21.913 -5.391  9.901   0.500 58.308  0 184 MET   AAA CB  1 ? 16 
ATOM   5228 C CG  A MET   C 1 185 ? 22.334 -3.961  9.734   0.500 63.798  0 184 MET   AAA CG  1 ? 16 
ATOM   5229 C CG  B MET   C 1 185 ? 20.639 -5.976  9.401   0.500 60.638  0 184 MET   AAA CG  1 ? 16 
ATOM   5230 S SD  A MET   C 1 185 ? 21.188 -2.957  8.803   0.500 69.214  0 184 MET   AAA SD  1 ? 16 
ATOM   5231 S SD  B MET   C 1 185 ? 19.507 -4.606  9.181   0.500 66.374  0 184 MET   AAA SD  1 ? 16 
ATOM   5232 C CE  A MET   C 1 185 ? 20.606 -4.180  7.627   0.500 68.290  0 184 MET   AAA CE  1 ? 16 
ATOM   5233 C CE  B MET   C 1 185 ? 20.059 -3.536  10.508  0.500 66.446  0 184 MET   AAA CE  1 ? 16 
ATOM   5234 N N   . GLU   C 1 186 ? 24.883 -4.780  10.494  1.000 55.662  0 185 GLU   AAA N   1 ? 16 
ATOM   5235 C CA  . GLU   C 1 186 ? 26.067 -3.888  10.376  1.000 59.338  0 185 GLU   AAA CA  1 ? 16 
ATOM   5236 C C   . GLU   C 1 186 ? 27.287 -4.729  9.993   1.000 58.382  0 185 GLU   AAA C   1 ? 16 
ATOM   5237 O O   . GLU   C 1 186 ? 28.041 -4.293  9.120   1.000 61.857  0 185 GLU   AAA O   1 ? 16 
ATOM   5238 C CB  . GLU   C 1 186 ? 26.301 -3.135  11.688  1.000 60.084  0 185 GLU   AAA CB  1 ? 16 
ATOM   5239 C CG  . GLU   C 1 186 ? 25.322 -1.994  11.887  1.000 62.768  0 185 GLU   AAA CG  1 ? 16 
ATOM   5240 C CD  . GLU   C 1 186 ? 25.247 -1.348  13.262  1.000 64.130  0 185 GLU   AAA CD  1 ? 16 
ATOM   5241 O OE1 . GLU   C 1 186 ? 25.897 -1.860  14.225  1.000 61.721  0 185 GLU   AAA OE1 1 ? 16 
ATOM   5242 O OE2 . GLU   C 1 186 ? 24.510 -0.329  13.367  1.000 65.807  0 185 GLU   AAA OE2 1 ? 16 
ATOM   5243 N N   . GLN   C 1 187 ? 27.456 -5.896  10.619  1.000 54.123  0 186 GLN   AAA N   1 ? 16 
ATOM   5244 C CA  . GLN   C 1 187 ? 28.688 -6.716  10.492  1.000 54.660  0 186 GLN   AAA CA  1 ? 16 
ATOM   5245 C C   . GLN   C 1 187 ? 28.630 -7.645  9.285   1.000 54.988  0 186 GLN   AAA C   1 ? 16 
ATOM   5246 O O   . GLN   C 1 187 ? 29.706 -8.069  8.843   1.000 56.881  0 186 GLN   AAA O   1 ? 16 
ATOM   5247 C CB  . GLN   C 1 187 ? 28.913 -7.568  11.740  1.000 52.354  0 186 GLN   AAA CB  1 ? 16 
ATOM   5248 C CG  . GLN   C 1 187 ? 29.285 -6.770  12.973  1.000 52.738  0 186 GLN   AAA CG  1 ? 16 
ATOM   5249 C CD  . GLN   C 1 187 ? 30.470 -5.866  12.740  1.000 56.128  0 186 GLN   AAA CD  1 ? 16 
ATOM   5250 O OE1 . GLN   C 1 187 ? 31.553 -6.294  12.360  1.000 57.215  0 186 GLN   AAA OE1 1 ? 16 
ATOM   5251 N NE2 . GLN   C 1 187 ? 30.248 -4.582  12.923  1.000 58.186  0 186 GLN   AAA NE2 1 ? 16 
ATOM   5252 N N   A GLU   C 1 188 ? 27.422 -7.967  8.805   0.500 53.569  0 187 GLU   AAA N   1 ? 16 
ATOM   5253 N N   B GLU   C 1 188 ? 27.433 -7.998  8.801   0.500 54.979  0 187 GLU   AAA N   1 ? 16 
ATOM   5254 C CA  A GLU   C 1 188 ? 27.193 -9.033  7.796   0.500 54.014  0 187 GLU   AAA CA  1 ? 16 
ATOM   5255 C CA  B GLU   C 1 188 ? 27.261 -9.079  7.793   0.500 56.412  0 187 GLU   AAA CA  1 ? 16 
ATOM   5256 C C   A GLU   C 1 188 ? 26.340 -8.506  6.657   0.500 56.591  0 187 GLU   AAA C   1 ? 16 
ATOM   5257 C C   B GLU   C 1 188 ? 26.389 -8.597  6.635   0.500 57.813  0 187 GLU   AAA C   1 ? 16 
ATOM   5258 O O   A GLU   C 1 188 ? 25.133 -8.731  6.634   0.500 55.333  0 187 GLU   AAA O   1 ? 16 
ATOM   5259 O O   B GLU   C 1 188 ? 25.209 -8.931  6.572   0.500 55.778  0 187 GLU   AAA O   1 ? 16 
ATOM   5260 C CB  A GLU   C 1 188 ? 26.517 -10.245 8.420   0.500 50.535  0 187 GLU   AAA CB  1 ? 16 
ATOM   5261 C CB  B GLU   C 1 188 ? 26.685 -10.334 8.451   0.500 54.815  0 187 GLU   AAA CB  1 ? 16 
ATOM   5262 C CG  A GLU   C 1 188 ? 27.298 -10.805 9.569   0.500 49.473  0 187 GLU   AAA CG  1 ? 16 
ATOM   5263 C CG  B GLU   C 1 188 ? 27.241 -11.616 7.850   0.500 57.769  0 187 GLU   AAA CG  1 ? 16 
ATOM   5264 C CD  A GLU   C 1 188 ? 28.518 -11.623 9.187   0.500 51.467  0 187 GLU   AAA CD  1 ? 16 
ATOM   5265 C CD  B GLU   C 1 188 ? 28.294 -12.324 8.685   0.500 58.635  0 187 GLU   AAA CD  1 ? 16 
ATOM   5266 O OE1 A GLU   C 1 188 ? 28.869 -11.645 7.988   0.500 51.744  0 187 GLU   AAA OE1 1 ? 16 
ATOM   5267 O OE1 B GLU   C 1 188 ? 28.698 -11.742 9.725   0.500 57.660  0 187 GLU   AAA OE1 1 ? 16 
ATOM   5268 O OE2 A GLU   C 1 188 ? 29.103 -12.242 10.108  0.500 52.374  0 187 GLU   AAA OE2 1 ? 16 
ATOM   5269 O OE2 B GLU   C 1 188 ? 28.701 -13.461 8.297   0.500 58.780  0 187 GLU   AAA OE2 1 ? 16 
ATOM   5270 N N   . PRO   C 1 189 ? 26.974 -7.873  5.647   1.000 61.721  0 188 PRO   AAA N   1 ? 17 
ATOM   5271 C CA  . PRO   C 1 189 ? 26.253 -7.429  4.455   1.000 63.555  0 188 PRO   AAA CA  1 ? 17 
ATOM   5272 C C   . PRO   C 1 189 ? 25.481 -8.557  3.756   1.000 61.238  0 188 PRO   AAA C   1 ? 17 
ATOM   5273 O O   . PRO   C 1 189 ? 24.462 -8.282  3.175   1.000 62.691  0 188 PRO   AAA O   1 ? 17 
ATOM   5274 C CB  . PRO   C 1 189 ? 27.364 -6.927  3.516   1.000 67.124  0 188 PRO   AAA CB  1 ? 17 
ATOM   5275 C CG  . PRO   C 1 189 ? 28.516 -6.576  4.440   1.000 67.542  0 188 PRO   AAA CG  1 ? 17 
ATOM   5276 C CD  . PRO   C 1 189 ? 28.402 -7.538  5.603   1.000 63.344  0 188 PRO   AAA CD  1 ? 17 
ATOM   5277 N N   . HIS   C 1 190 ? 25.967 -9.795  3.854   1.000 60.109  0 189 HIS   AAA N   1 ? 17 
ATOM   5278 C CA  . HIS   C 1 190 ? 25.377 -10.977 3.181   1.000 60.518  0 189 HIS   AAA CA  1 ? 17 
ATOM   5279 C C   . HIS   C 1 190 ? 23.933 -11.191 3.634   1.000 58.430  0 189 HIS   AAA C   1 ? 17 
ATOM   5280 O O   . HIS   C 1 190 ? 23.213 -11.900 2.914   1.000 59.940  0 189 HIS   AAA O   1 ? 17 
ATOM   5281 C CB  . HIS   C 1 190 ? 26.230 -12.232 3.416   1.000 64.481  0 189 HIS   AAA CB  1 ? 17 
ATOM   5282 C CG  . HIS   C 1 190 ? 27.536 -12.229 2.693   1.000 68.699  0 189 HIS   AAA CG  1 ? 17 
ATOM   5283 N ND1 . HIS   C 1 190 ? 28.272 -13.389 2.503   1.000 71.702  0 189 HIS   AAA ND1 1 ? 17 
ATOM   5284 C CD2 . HIS   C 1 190 ? 28.217 -11.236 2.075   1.000 69.642  0 189 HIS   AAA CD2 1 ? 17 
ATOM   5285 C CE1 . HIS   C 1 190 ? 29.367 -13.102 1.827   1.000 74.728  0 189 HIS   AAA CE1 1 ? 17 
ATOM   5286 N NE2 . HIS   C 1 190 ? 29.364 -11.784 1.563   1.000 72.963  0 189 HIS   AAA NE2 1 ? 17 
ATOM   5287 N N   . LEU   C 1 191 ? 23.535 -10.639 4.784   1.000 56.582  0 190 LEU   AAA N   1 ? 17 
ATOM   5288 C CA  . LEU   C 1 191 ? 22.147 -10.765 5.294   1.000 57.597  0 190 LEU   AAA CA  1 ? 17 
ATOM   5289 C C   . LEU   C 1 191 ? 21.190 -10.062 4.332   1.000 61.472  0 190 LEU   AAA C   1 ? 17 
ATOM   5290 O O   . LEU   C 1 191 ? 20.070 -10.561 4.186   1.000 63.653  0 190 LEU   AAA O   1 ? 17 
ATOM   5291 C CB  . LEU   C 1 191 ? 22.022 -10.194 6.710   1.000 55.856  0 190 LEU   AAA CB  1 ? 17 
ATOM   5292 C CG  . LEU   C 1 191 ? 22.433 -11.137 7.835   1.000 54.896  0 190 LEU   AAA CG  1 ? 17 
ATOM   5293 C CD1 . LEU   C 1 191 ? 22.541 -10.384 9.151   1.000 55.677  0 190 LEU   AAA CD1 1 ? 17 
ATOM   5294 C CD2 . LEU   C 1 191 ? 21.467 -12.317 7.954   1.000 55.294  0 190 LEU   AAA CD2 1 ? 17 
ATOM   5295 N N   . MET   C 1 192 ? 21.627 -8.979  3.687   1.000 64.808  0 191 MET   AAA N   1 ? 17 
ATOM   5296 C CA  . MET   C 1 192 ? 20.787 -8.149  2.782   1.000 69.056  0 191 MET   AAA CA  1 ? 17 
ATOM   5297 C C   . MET   C 1 192 ? 20.580 -8.845  1.429   1.000 67.108  0 191 MET   AAA C   1 ? 17 
ATOM   5298 O O   . MET   C 1 192 ? 19.640 -8.457  0.726   1.000 69.055  0 191 MET   AAA O   1 ? 17 
ATOM   5299 C CB  . MET   C 1 192 ? 21.441 -6.792  2.519   1.000 75.417  0 191 MET   AAA CB  1 ? 17 
ATOM   5300 C CG  . MET   C 1 192 ? 20.924 -5.667  3.373   1.000 82.939  0 191 MET   AAA CG  1 ? 17 
ATOM   5301 S SD  . MET   C 1 192 ? 21.542 -4.071  2.721   1.000 98.460  0 191 MET   AAA SD  1 ? 17 
ATOM   5302 C CE  . MET   C 1 192 ? 23.322 -4.288  2.842   1.000 94.487  0 191 MET   AAA CE  1 ? 17 
ATOM   5303 N N   . LYS   C 1 193 ? 21.416 -9.820  1.064   1.000 64.553  0 192 LYS   AAA N   1 ? 17 
ATOM   5304 C CA  . LYS   C 1 193 ? 21.361 -10.479 -0.266  1.000 65.619  0 192 LYS   AAA CA  1 ? 17 
ATOM   5305 C C   . LYS   C 1 193 ? 19.991 -11.137 -0.433  1.000 65.147  0 192 LYS   AAA C   1 ? 17 
ATOM   5306 O O   . LYS   C 1 193 ? 19.566 -11.852 0.484   1.000 67.580  0 192 LYS   AAA O   1 ? 17 
ATOM   5307 C CB  . LYS   C 1 193 ? 22.499 -11.490 -0.436  1.000 68.053  0 192 LYS   AAA CB  1 ? 17 
ATOM   5308 C CG  . LYS   C 1 193 ? 23.833 -10.876 -0.844  1.000 70.920  0 192 LYS   AAA CG  1 ? 17 
ATOM   5309 C CD  . LYS   C 1 193 ? 25.059 -11.666 -0.428  1.000 72.587  0 192 LYS   AAA CD  1 ? 17 
ATOM   5310 C CE  . LYS   C 1 193 ? 25.446 -12.762 -1.391  1.000 76.952  0 192 LYS   AAA CE  1 ? 17 
ATOM   5311 N NZ  . LYS   C 1 193 ? 26.507 -13.624 -0.817  1.000 79.044  0 192 LYS   AAA NZ  1 ? 17 
ATOM   5312 N N   . GLY   C 1 194 ? 19.325 -10.880 -1.564  1.000 65.167  0 193 GLY   AAA N   1 ? 17 
ATOM   5313 C CA  . GLY   C 1 194 ? 18.034 -11.480 -1.951  1.000 63.407  0 193 GLY   AAA CA  1 ? 17 
ATOM   5314 C C   . GLY   C 1 194 ? 16.890 -11.006 -1.069  1.000 62.217  0 193 GLY   AAA C   1 ? 17 
ATOM   5315 O O   . GLY   C 1 194 ? 15.936 -11.785 -0.896  1.000 62.304  0 193 GLY   AAA O   1 ? 17 
ATOM   5316 N N   . THR   C 1 195 ? 16.953 -9.777  -0.543  1.000 70.878  0 194 THR   AAA N   1 ? 18 
ATOM   5317 C CA  . THR   C 1 195 ? 15.891 -9.162  0.303   1.000 72.061  0 194 THR   AAA CA  1 ? 18 
ATOM   5318 C C   . THR   C 1 195 ? 15.227 -7.963  -0.387  1.000 70.581  0 194 THR   AAA C   1 ? 18 
ATOM   5319 O O   . THR   C 1 195 ? 14.311 -7.379  0.226   1.000 69.587  0 194 THR   AAA O   1 ? 18 
ATOM   5320 C CB  . THR   C 1 195 ? 16.468 -8.719  1.650   1.000 74.979  0 194 THR   AAA CB  1 ? 18 
ATOM   5321 O OG1 . THR   C 1 195 ? 17.323 -7.596  1.425   1.000 74.077  0 194 THR   AAA OG1 1 ? 18 
ATOM   5322 C CG2 . THR   C 1 195 ? 17.214 -9.839  2.341   1.000 77.804  0 194 THR   AAA CG2 1 ? 18 
ATOM   5323 N N   . TRP   C 1 196 ? 15.677 -7.591  -1.594  1.000 71.094  0 195 TRP   AAA N   1 ? 18 
ATOM   5324 C CA  . TRP   C 1 196 ? 15.154 -6.430  -2.369  1.000 71.381  0 195 TRP   AAA CA  1 ? 18 
ATOM   5325 C C   . TRP   C 1 196 ? 15.410 -5.124  -1.600  1.000 74.960  0 195 TRP   AAA C   1 ? 18 
ATOM   5326 O O   . TRP   C 1 196 ? 14.768 -4.116  -1.912  1.000 76.488  0 195 TRP   AAA O   1 ? 18 
ATOM   5327 C CB  . TRP   C 1 196 ? 13.661 -6.633  -2.700  1.000 70.877  0 195 TRP   AAA CB  1 ? 18 
ATOM   5328 C CG  . TRP   C 1 196 ? 13.450 -7.548  -3.868  1.000 70.034  0 195 TRP   AAA CG  1 ? 18 
ATOM   5329 C CD1 . TRP   C 1 196 ? 13.136 -7.164  -5.133  1.000 70.397  0 195 TRP   AAA CD1 1 ? 18 
ATOM   5330 C CD2 . TRP   C 1 196 ? 13.595 -8.982  -3.920  1.000 66.742  0 195 TRP   AAA CD2 1 ? 18 
ATOM   5331 N NE1 . TRP   C 1 196 ? 13.051 -8.246  -5.960  1.000 69.198  0 195 TRP   AAA NE1 1 ? 18 
ATOM   5332 C CE2 . TRP   C 1 196 ? 13.352 -9.378  -5.253  1.000 67.039  0 195 TRP   AAA CE2 1 ? 18 
ATOM   5333 C CE3 . TRP   C 1 196 ? 13.891 -9.969  -2.982  1.000 64.481  0 195 TRP   AAA CE3 1 ? 18 
ATOM   5334 C CZ2 . TRP   C 1 196 ? 13.409 -10.706 -5.673  1.000 65.127  0 195 TRP   AAA CZ2 1 ? 18 
ATOM   5335 C CZ3 . TRP   C 1 196 ? 13.906 -11.288 -3.387  1.000 63.995  0 195 TRP   AAA CZ3 1 ? 18 
ATOM   5336 C CH2 . TRP   C 1 196 ? 13.666 -11.651 -4.711  1.000 64.295  0 195 TRP   AAA CH2 1 ? 18 
ATOM   5337 N N   . MET   C 1 197 ? 16.359 -5.132  -0.663  1.000 79.161  0 196 MET   AAA N   1 ? 18 
ATOM   5338 C CA  . MET   C 1 197 ? 16.713 -3.986  0.208   1.000 83.893  0 196 MET   AAA CA  1 ? 18 
ATOM   5339 C C   . MET   C 1 197 ? 18.061 -3.425  -0.260  1.000 85.560  0 196 MET   AAA C   1 ? 18 
ATOM   5340 O O   . MET   C 1 197 ? 19.112 -4.021  0.105   1.000 83.900  0 196 MET   AAA O   1 ? 18 
ATOM   5341 C CB  . MET   C 1 197 ? 16.832 -4.444  1.666   1.000 87.752  0 196 MET   AAA CB  1 ? 18 
ATOM   5342 C CG  . MET   C 1 197 ? 15.519 -4.826  2.309   1.000 90.701  0 196 MET   AAA CG  1 ? 18 
ATOM   5343 S SD  . MET   C 1 197 ? 14.577 -3.379  2.790   1.000 92.483  0 196 MET   AAA SD  1 ? 18 
ATOM   5344 C CE  . MET   C 1 197 ? 15.211 -3.186  4.453   1.000 93.618  0 196 MET   AAA CE  1 ? 18 
ATOM   5345 N N   . THR   C 1 198 ? 18.040 -2.339  -1.044  1.000 90.412  0 197 THR   AAA N   1 ? 18 
ATOM   5346 C CA  . THR   C 1 198 ? 19.251 -1.590  -1.486  1.000 93.739  0 197 THR   AAA CA  1 ? 18 
ATOM   5347 C C   . THR   C 1 198 ? 19.793 -0.776  -0.301  1.000 93.996  0 197 THR   AAA C   1 ? 18 
ATOM   5348 O O   . THR   C 1 198 ? 18.977 -0.402  0.563   1.000 94.483  0 197 THR   AAA O   1 ? 18 
ATOM   5349 C CB  . THR   C 1 198 ? 18.956 -0.690  -2.700  1.000 96.733  0 197 THR   AAA CB  1 ? 18 
ATOM   5350 O OG1 . THR   C 1 198 ? 17.963 0.278   -2.348  1.000 96.453  0 197 THR   AAA OG1 1 ? 18 
ATOM   5351 C CG2 . THR   C 1 198 ? 18.511 -1.464  -3.924  1.000 97.641  0 197 THR   AAA CG2 1 ? 18 
ATOM   5352 N N   . SER   C 1 199 ? 21.107 -0.522  -0.271  1.000 96.115  0 198 SER   AAA N   1 ? 18 
ATOM   5353 C CA  . SER   C 1 199 ? 21.828 0.303   0.742   1.000 96.281  0 198 SER   AAA CA  1 ? 18 
ATOM   5354 C C   . SER   C 1 199 ? 21.133 1.659   0.918   1.000 93.271  0 198 SER   AAA C   1 ? 18 
ATOM   5355 O O   . SER   C 1 199 ? 21.054 2.139   2.068   1.000 89.735  0 198 SER   AAA O   1 ? 18 
ATOM   5356 C CB  . SER   C 1 199 ? 23.277 0.502   0.362   1.000 98.925  0 198 SER   AAA CB  1 ? 18 
ATOM   5357 O OG  . SER   C 1 199 ? 24.010 -0.707  0.487   1.000 101.697 0 198 SER   AAA OG  1 ? 18 
ATOM   5358 N N   . GLU   C 1 200 ? 20.670 2.245   -0.191  1.000 93.719  0 199 GLU   AAA N   1 ? 18 
ATOM   5359 C CA  . GLU   C 1 200 ? 19.891 3.510   -0.231  1.000 95.718  0 199 GLU   AAA CA  1 ? 18 
ATOM   5360 C C   . GLU   C 1 200 ? 18.645 3.382   0.660   1.000 93.155  0 199 GLU   AAA C   1 ? 18 
ATOM   5361 O O   . GLU   C 1 200 ? 18.444 4.258   1.524   1.000 93.076  0 199 GLU   AAA O   1 ? 18 
ATOM   5362 C CB  . GLU   C 1 200 ? 19.512 3.842   -1.676  1.000 99.954  0 199 GLU   AAA CB  1 ? 18 
ATOM   5363 C CG  . GLU   C 1 200 ? 19.100 5.292   -1.864  1.000 105.012 0 199 GLU   AAA CG  1 ? 18 
ATOM   5364 C CD  . GLU   C 1 200 ? 18.707 5.673   -3.280  1.000 110.819 0 199 GLU   AAA CD  1 ? 18 
ATOM   5365 O OE1 . GLU   C 1 200 ? 19.102 4.944   -4.217  1.000 115.197 0 199 GLU   AAA OE1 1 ? 18 
ATOM   5366 O OE2 . GLU   C 1 200 ? 17.994 6.687   -3.436  1.000 113.228 0 199 GLU   AAA OE2 1 ? 18 
ATOM   5367 N N   . VAL   C 1 201 ? 17.850 2.321   0.473   1.000 90.583  0 200 VAL   AAA N   1 ? 18 
ATOM   5368 C CA  . VAL   C 1 201 ? 16.538 2.111   1.164   1.000 87.230  0 200 VAL   AAA CA  1 ? 18 
ATOM   5369 C C   . VAL   C 1 201 ? 16.788 1.741   2.632   1.000 82.386  0 200 VAL   AAA C   1 ? 18 
ATOM   5370 O O   . VAL   C 1 201 ? 16.048 2.238   3.498   1.000 80.036  0 200 VAL   AAA O   1 ? 18 
ATOM   5371 C CB  . VAL   C 1 201 ? 15.679 1.049   0.450   1.000 88.801  0 200 VAL   AAA CB  1 ? 18 
ATOM   5372 C CG1 . VAL   C 1 201 ? 14.419 0.727   1.235   1.000 89.651  0 200 VAL   AAA CG1 1 ? 18 
ATOM   5373 C CG2 . VAL   C 1 201 ? 15.324 1.466   -0.968  1.000 90.797  0 200 VAL   AAA CG2 1 ? 18 
ATOM   5374 N N   . LEU   C 1 202 ? 17.789 0.901   2.901   1.000 80.288  0 201 LEU   AAA N   1 ? 18 
ATOM   5375 C CA  . LEU   C 1 202 ? 18.199 0.529   4.279   1.000 81.332  0 201 LEU   AAA CA  1 ? 18 
ATOM   5376 C C   . LEU   C 1 202 ? 18.552 1.798   5.062   1.000 80.755  0 201 LEU   AAA C   1 ? 18 
ATOM   5377 O O   . LEU   C 1 202 ? 18.049 1.956   6.187   1.000 80.994  0 201 LEU   AAA O   1 ? 18 
ATOM   5378 C CB  . LEU   C 1 202 ? 19.392 -0.430  4.220   1.000 84.015  0 201 LEU   AAA CB  1 ? 18 
ATOM   5379 C CG  . LEU   C 1 202 ? 19.886 -0.937  5.570   1.000 87.238  0 201 LEU   AAA CG  1 ? 18 
ATOM   5380 C CD1 . LEU   C 1 202 ? 18.798 -1.742  6.270   1.000 88.214  0 201 LEU   AAA CD1 1 ? 18 
ATOM   5381 C CD2 . LEU   C 1 202 ? 21.157 -1.762  5.408   1.000 89.717  0 201 LEU   AAA CD2 1 ? 18 
ATOM   5382 N N   . SER   C 1 203 ? 19.378 2.668   4.475   1.000 80.726  0 202 SER   AAA N   1 ? 18 
ATOM   5383 C CA  . SER   C 1 203 ? 19.809 3.968   5.055   1.000 80.559  0 202 SER   AAA CA  1 ? 18 
ATOM   5384 C C   . SER   C 1 203 ? 18.578 4.804   5.439   1.000 77.669  0 202 SER   AAA C   1 ? 18 
ATOM   5385 O O   . SER   C 1 203 ? 18.535 5.296   6.592   1.000 76.795  0 202 SER   AAA O   1 ? 18 
ATOM   5386 C CB  . SER   C 1 203 ? 20.715 4.713   4.100   1.000 83.149  0 202 SER   AAA CB  1 ? 18 
ATOM   5387 O OG  . SER   C 1 203 ? 21.100 5.968   4.647   1.000 85.089  0 202 SER   AAA OG  1 ? 18 
ATOM   5388 N N   . TRP   C 1 204 ? 17.611 4.939   4.521   1.000 75.543  0 203 TRP   AAA N   1 ? 18 
ATOM   5389 C CA  . TRP   C 1 204 ? 16.325 5.652   4.751   1.000 75.511  0 203 TRP   AAA CA  1 ? 18 
ATOM   5390 C C   . TRP   C 1 204 ? 15.571 5.020   5.925   1.000 75.099  0 203 TRP   AAA C   1 ? 18 
ATOM   5391 O O   . TRP   C 1 204 ? 15.056 5.766   6.775   1.000 74.842  0 203 TRP   AAA O   1 ? 18 
ATOM   5392 C CB  . TRP   C 1 204 ? 15.459 5.640   3.485   1.000 77.621  0 203 TRP   AAA CB  1 ? 18 
ATOM   5393 C CG  . TRP   C 1 204 ? 14.223 6.464   3.629   1.000 80.192  0 203 TRP   AAA CG  1 ? 18 
ATOM   5394 C CD1 . TRP   C 1 204 ? 14.056 7.753   3.221   1.000 82.613  0 203 TRP   AAA CD1 1 ? 18 
ATOM   5395 C CD2 . TRP   C 1 204 ? 12.992 6.080   4.265   1.000 82.085  0 203 TRP   AAA CD2 1 ? 18 
ATOM   5396 N NE1 . TRP   C 1 204 ? 12.800 8.194   3.541   1.000 83.980  0 203 TRP   AAA NE1 1 ? 18 
ATOM   5397 C CE2 . TRP   C 1 204 ? 12.128 7.192   4.186   1.000 83.810  0 203 TRP   AAA CE2 1 ? 18 
ATOM   5398 C CE3 . TRP   C 1 204 ? 12.532 4.913   4.883   1.000 82.703  0 203 TRP   AAA CE3 1 ? 18 
ATOM   5399 C CZ2 . TRP   C 1 204 ? 10.834 7.167   4.699   1.000 86.446  0 203 TRP   AAA CZ2 1 ? 18 
ATOM   5400 C CZ3 . TRP   C 1 204 ? 11.254 4.888   5.394   1.000 85.165  0 203 TRP   AAA CZ3 1 ? 18 
ATOM   5401 C CH2 . TRP   C 1 204 ? 10.413 5.997   5.288   1.000 87.230  0 203 TRP   AAA CH2 1 ? 18 
ATOM   5402 N N   . LEU   C 1 205 ? 15.469 3.688   5.940   1.000 74.189  0 204 LEU   AAA N   1 ? 18 
ATOM   5403 C CA  . LEU   C 1 205 ? 14.744 2.931   6.991   1.000 75.343  0 204 LEU   AAA CA  1 ? 18 
ATOM   5404 C C   . LEU   C 1 205 ? 15.433 3.156   8.339   1.000 75.799  0 204 LEU   AAA C   1 ? 18 
ATOM   5405 O O   . LEU   C 1 205 ? 14.720 3.354   9.340   1.000 74.991  0 204 LEU   AAA O   1 ? 18 
ATOM   5406 C CB  . LEU   C 1 205 ? 14.710 1.443   6.620   1.000 73.617  0 204 LEU   AAA CB  1 ? 18 
ATOM   5407 C CG  . LEU   C 1 205 ? 14.083 0.527   7.667   1.000 73.992  0 204 LEU   AAA CG  1 ? 18 
ATOM   5408 C CD1 . LEU   C 1 205 ? 12.658 0.960   7.990   1.000 73.663  0 204 LEU   AAA CD1 1 ? 18 
ATOM   5409 C CD2 . LEU   C 1 205 ? 14.120 -0.918  7.191   1.000 74.041  0 204 LEU   AAA CD2 1 ? 18 
ATOM   5410 N N   . GLN   C 1 206 ? 16.767 3.134   8.353   1.000 68.966  0 205 GLN   AAA N   1 ? 19 
ATOM   5411 C CA  . GLN   C 1 206 ? 17.586 3.331   9.575   1.000 73.874  0 205 GLN   AAA CA  1 ? 19 
ATOM   5412 C C   . GLN   C 1 206 ? 17.244 4.691   10.199  1.000 76.468  0 205 GLN   AAA C   1 ? 19 
ATOM   5413 O O   . GLN   C 1 206 ? 17.083 4.743   11.447  1.000 77.247  0 205 GLN   AAA O   1 ? 19 
ATOM   5414 C CB  . GLN   C 1 206 ? 19.076 3.209   9.253   1.000 78.928  0 205 GLN   AAA CB  1 ? 19 
ATOM   5415 C CG  . GLN   C 1 206 ? 19.873 2.485   10.335  1.000 83.959  0 205 GLN   AAA CG  1 ? 19 
ATOM   5416 C CD  . GLN   C 1 206 ? 19.597 0.997   10.394  1.000 87.422  0 205 GLN   AAA CD  1 ? 19 
ATOM   5417 O OE1 . GLN   C 1 206 ? 19.245 0.436   11.437  1.000 85.746  0 205 GLN   AAA OE1 1 ? 19 
ATOM   5418 N NE2 . GLN   C 1 206 ? 19.776 0.338   9.262   1.000 90.921  0 205 GLN   AAA NE2 1 ? 19 
ATOM   5419 N N   . GLN   C 1 207 ? 17.101 5.738   9.374   1.000 77.794  0 206 GLN   AAA N   1 ? 19 
ATOM   5420 C CA  . GLN   C 1 207 ? 16.728 7.101   9.846   1.000 79.884  0 206 GLN   AAA CA  1 ? 19 
ATOM   5421 C C   . GLN   C 1 207 ? 15.335 7.056   10.477  1.000 75.678  0 206 GLN   AAA C   1 ? 19 
ATOM   5422 O O   . GLN   C 1 207 ? 15.203 7.546   11.615  1.000 75.623  0 206 GLN   AAA O   1 ? 19 
ATOM   5423 C CB  . GLN   C 1 207 ? 16.791 8.125   8.711   1.000 84.515  0 206 GLN   AAA CB  1 ? 19 
ATOM   5424 C CG  . GLN   C 1 207 ? 18.216 8.337   8.209   1.000 89.476  0 206 GLN   AAA CG  1 ? 19 
ATOM   5425 C CD  . GLN   C 1 207 ? 18.308 9.326   7.071   1.000 94.526  0 206 GLN   AAA CD  1 ? 19 
ATOM   5426 O OE1 . GLN   C 1 207 ? 18.937 9.067   6.042   1.000 98.063  0 206 GLN   AAA OE1 1 ? 19 
ATOM   5427 N NE2 . GLN   C 1 207 ? 17.681 10.480  7.257   1.000 95.286  0 206 GLN   AAA NE2 1 ? 19 
ATOM   5428 N N   . ALA   C 1 208 ? 14.360 6.469   9.773   1.000 72.193  0 207 ALA   AAA N   1 ? 19 
ATOM   5429 C CA  . ALA   C 1 208 ? 12.948 6.352   10.214  1.000 71.127  0 207 ALA   AAA CA  1 ? 19 
ATOM   5430 C C   . ALA   C 1 208 ? 12.879 5.631   11.566  1.000 70.296  0 207 ALA   AAA C   1 ? 19 
ATOM   5431 O O   . ALA   C 1 208 ? 12.143 6.102   12.456  1.000 69.589  0 207 ALA   AAA O   1 ? 19 
ATOM   5432 C CB  . ALA   C 1 208 ? 12.129 5.638   9.170   1.000 72.497  0 207 ALA   AAA CB  1 ? 19 
ATOM   5433 N N   . ILE   C 1 209 ? 13.649 4.550   11.723  1.000 70.323  0 208 ILE   AAA N   1 ? 19 
ATOM   5434 C CA  . ILE   C 1 209 ? 13.696 3.739   12.974  1.000 71.037  0 208 ILE   AAA CA  1 ? 19 
ATOM   5435 C C   . ILE   C 1 209 ? 14.323 4.593   14.078  1.000 73.036  0 208 ILE   AAA C   1 ? 19 
ATOM   5436 O O   . ILE   C 1 209 ? 13.791 4.567   15.211  1.000 74.511  0 208 ILE   AAA O   1 ? 19 
ATOM   5437 C CB  . ILE   C 1 209 ? 14.445 2.407   12.765  1.000 70.224  0 208 ILE   AAA CB  1 ? 19 
ATOM   5438 C CG1 . ILE   C 1 209 ? 13.694 1.494   11.793  1.000 70.786  0 208 ILE   AAA CG1 1 ? 19 
ATOM   5439 C CG2 . ILE   C 1 209 ? 14.707 1.720   14.095  1.000 69.870  0 208 ILE   AAA CG2 1 ? 19 
ATOM   5440 C CD1 . ILE   C 1 209 ? 14.544 0.390   11.212  1.000 72.729  0 208 ILE   AAA CD1 1 ? 19 
ATOM   5441 N N   . GLY   C 1 210 ? 15.405 5.315   13.761  1.000 76.495  0 209 GLY   AAA N   1 ? 19 
ATOM   5442 C CA  . GLY   C 1 210 ? 16.071 6.238   14.701  1.000 78.795  0 209 GLY   AAA CA  1 ? 19 
ATOM   5443 C C   . GLY   C 1 210 ? 15.066 7.183   15.336  1.000 80.816  0 209 GLY   AAA C   1 ? 19 
ATOM   5444 O O   . GLY   C 1 210 ? 15.041 7.274   16.589  1.000 80.915  0 209 GLY   AAA O   1 ? 19 
ATOM   5445 N N   . VAL   C 1 211 ? 14.259 7.854   14.505  1.000 81.996  0 210 VAL   AAA N   1 ? 19 
ATOM   5446 C CA  . VAL   C 1 211 ? 13.233 8.852   14.932  1.000 84.647  0 210 VAL   AAA CA  1 ? 19 
ATOM   5447 C C   . VAL   C 1 211 ? 12.233 8.147   15.852  1.000 86.596  0 210 VAL   AAA C   1 ? 19 
ATOM   5448 O O   . VAL   C 1 211 ? 11.956 8.684   16.949  1.000 88.455  0 210 VAL   AAA O   1 ? 19 
ATOM   5449 C CB  . VAL   C 1 211 ? 12.526 9.493   13.719  1.000 84.864  0 210 VAL   AAA CB  1 ? 19 
ATOM   5450 C CG1 . VAL   C 1 211 ? 11.319 10.319  14.129  1.000 84.089  0 210 VAL   AAA CG1 1 ? 19 
ATOM   5451 C CG2 . VAL   C 1 211 ? 13.479 10.331  12.878  1.000 85.931  0 210 VAL   AAA CG2 1 ? 19 
ATOM   5452 N N   . MET   C 1 212 ? 11.724 6.990   15.412  1.000 87.899  0 211 MET   AAA N   1 ? 19 
ATOM   5453 C CA  . MET   C 1 212 ? 10.677 6.202   16.114  1.000 88.538  0 211 MET   AAA CA  1 ? 19 
ATOM   5454 C C   . MET   C 1 212 ? 11.131 5.880   17.540  1.000 90.320  0 211 MET   AAA C   1 ? 19 
ATOM   5455 O O   . MET   C 1 212 ? 10.316 6.058   18.458  1.000 90.386  0 211 MET   AAA O   1 ? 19 
ATOM   5456 C CB  . MET   C 1 212 ? 10.386 4.901   15.359  1.000 86.701  0 211 MET   AAA CB  1 ? 19 
ATOM   5457 C CG  . MET   C 1 212 ? 9.255  4.075   15.946  1.000 86.262  0 211 MET   AAA CG  1 ? 19 
ATOM   5458 S SD  . MET   C 1 212 ? 8.933  2.589   14.958  1.000 84.222  0 211 MET   AAA SD  1 ? 19 
ATOM   5459 C CE  . MET   C 1 212 ? 10.522 1.766   15.059  1.000 84.951  0 211 MET   AAA CE  1 ? 19 
ATOM   5460 N N   . MET   C 1 213 ? 12.381 5.439   17.710  1.000 97.184  0 212 MET   AAA N   1 ? 19 
ATOM   5461 C CA  . MET   C 1 213 ? 12.916 4.937   19.005  1.000 104.961 0 212 MET   AAA CA  1 ? 19 
ATOM   5462 C C   . MET   C 1 213 ? 13.035 6.104   19.995  1.000 112.230 0 212 MET   AAA C   1 ? 19 
ATOM   5463 O O   . MET   C 1 213 ? 12.727 5.896   21.189  1.000 115.856 0 212 MET   AAA O   1 ? 19 
ATOM   5464 C CB  . MET   C 1 213 ? 14.283 4.265   18.829  1.000 107.348 0 212 MET   AAA CB  1 ? 19 
ATOM   5465 C CG  . MET   C 1 213 ? 14.268 3.044   17.893  1.000 105.964 0 212 MET   AAA CG  1 ? 19 
ATOM   5466 S SD  . MET   C 1 213 ? 13.430 1.528   18.497  1.000 109.761 0 212 MET   AAA SD  1 ? 19 
ATOM   5467 C CE  . MET   C 1 213 ? 14.397 1.132   19.955  1.000 112.833 0 212 MET   AAA CE  1 ? 19 
ATOM   5468 N N   . ARG   C 1 214 ? 13.434 7.285   19.512  1.000 121.749 0 213 ARG   AAA N   1 ? 20 
ATOM   5469 C CA  . ARG   C 1 214 ? 13.735 8.484   20.344  1.000 123.797 0 213 ARG   AAA CA  1 ? 20 
ATOM   5470 C C   . ARG   C 1 214 ? 12.436 9.205   20.726  1.000 121.965 0 213 ARG   AAA C   1 ? 20 
ATOM   5471 O O   . ARG   C 1 214 ? 12.422 9.831   21.803  1.000 125.135 0 213 ARG   AAA O   1 ? 20 
ATOM   5472 C CB  . ARG   C 1 214 ? 14.700 9.410   19.603  1.000 127.899 0 213 ARG   AAA CB  1 ? 20 
ATOM   5473 C CG  . ARG   C 1 214 ? 15.983 8.716   19.168  1.000 133.223 0 213 ARG   AAA CG  1 ? 20 
ATOM   5474 C CD  . ARG   C 1 214 ? 16.825 9.425   18.127  1.000 137.571 0 213 ARG   AAA CD  1 ? 20 
ATOM   5475 N NE  . ARG   C 1 214 ? 16.213 10.556  17.422  1.000 139.507 0 213 ARG   AAA NE  1 ? 20 
ATOM   5476 C CZ  . ARG   C 1 214 ? 16.503 10.931  16.177  1.000 141.597 0 213 ARG   AAA CZ  1 ? 20 
ATOM   5477 N NH1 . ARG   C 1 214 ? 17.390 10.260  15.459  1.000 144.631 0 213 ARG   AAA NH1 1 ? 20 
ATOM   5478 N NH2 . ARG   C 1 214 ? 15.882 11.968  15.640  1.000 140.519 0 213 ARG   AAA NH2 1 ? 20 
ATOM   5479 N N   . GLN   C 1 215 ? 11.388 9.111   19.899  1.000 121.099 0 214 GLN   AAA N   1 ? 20 
ATOM   5480 C CA  . GLN   C 1 215 ? 10.034 9.653   20.203  1.000 120.989 0 214 GLN   AAA CA  1 ? 20 
ATOM   5481 C C   . GLN   C 1 215 ? 9.239  8.599   20.985  1.000 122.532 0 214 GLN   AAA C   1 ? 20 
ATOM   5482 O O   . GLN   C 1 215 ? 8.597  7.754   20.341  1.000 126.229 0 214 GLN   AAA O   1 ? 20 
ATOM   5483 C CB  . GLN   C 1 215 ? 9.320  10.053  18.914  1.000 121.962 0 214 GLN   AAA CB  1 ? 20 
ATOM   5484 C CG  . GLN   C 1 215 ? 9.942  11.262  18.234  1.000 122.578 0 214 GLN   AAA CG  1 ? 20 
ATOM   5485 C CD  . GLN   C 1 215 ? 9.101  11.783  17.092  1.000 124.694 0 214 GLN   AAA CD  1 ? 20 
ATOM   5486 O OE1 . GLN   C 1 215 ? 7.991  11.317  16.840  1.000 125.089 0 214 GLN   AAA OE1 1 ? 20 
ATOM   5487 N NE2 . GLN   C 1 215 ? 9.641  12.748  16.366  1.000 124.909 0 214 GLN   AAA NE2 1 ? 20 
ATOM   5488 N N   . ALA   C 1 216 ? 9.329  8.642   22.320  1.000 123.643 0 215 ALA   AAA N   1 ? 20 
ATOM   5489 C CA  . ALA   C 1 216 ? 8.796  7.631   23.266  1.000 125.146 0 215 ALA   AAA CA  1 ? 20 
ATOM   5490 C C   . ALA   C 1 216 ? 9.446  6.273   22.973  1.000 125.537 0 215 ALA   AAA C   1 ? 20 
ATOM   5491 O O   . ALA   C 1 216 ? 8.962  5.223   23.394  1.000 128.046 0 215 ALA   AAA O   1 ? 20 
ATOM   5492 C CB  . ALA   C 1 216 ? 7.287  7.570   23.177  1.000 125.685 0 215 ALA   AAA CB  1 ? 20 
HETATM 5493 C C10 . A1H1R D 2 .   ? 24.547 -48.006 -7.406  1.000 131.512 0 301 A1H1R BBB C10 1 ? ?  
HETATM 5494 C C12 . A1H1R D 2 .   ? 24.623 -45.744 -6.287  1.000 121.571 0 301 A1H1R BBB C12 1 ? ?  
HETATM 5495 C C13 . A1H1R D 2 .   ? 26.093 -45.426 -6.160  1.000 117.137 0 301 A1H1R BBB C13 1 ? ?  
HETATM 5496 C C15 . A1H1R D 2 .   ? 28.078 -44.713 -7.429  1.000 99.392  0 301 A1H1R BBB C15 1 ? ?  
HETATM 5497 C C16 . A1H1R D 2 .   ? 29.010 -44.655 -6.431  1.000 97.868  0 301 A1H1R BBB C16 1 ? ?  
HETATM 5498 N N14 . A1H1R D 2 .   ? 26.714 -45.035 -7.321  1.000 109.212 0 301 A1H1R BBB N14 1 ? ?  
HETATM 5499 O O1  . A1H1R D 2 .   ? 20.725 -50.522 -13.154 1.000 165.169 0 301 A1H1R BBB O1  1 ? ?  
HETATM 5500 C C2  . A1H1R D 2 .   ? 21.850 -50.736 -12.740 1.000 169.025 0 301 A1H1R BBB C2  1 ? ?  
HETATM 5501 C C3  . A1H1R D 2 .   ? 22.364 -50.008 -11.535 1.000 166.059 0 301 A1H1R BBB C3  1 ? ?  
HETATM 5502 C C4  . A1H1R D 2 .   ? 21.754 -48.774 -11.284 1.000 159.913 0 301 A1H1R BBB C4  1 ? ?  
HETATM 5503 C C5  . A1H1R D 2 .   ? 22.164 -47.992 -10.215 1.000 151.861 0 301 A1H1R BBB C5  1 ? ?  
HETATM 5504 O O6  . A1H1R D 2 .   ? 21.616 -46.789 -9.868  1.000 142.640 0 301 A1H1R BBB O6  1 ? ?  
HETATM 5505 C C7  . A1H1R D 2 .   ? 20.412 -46.387 -10.521 1.000 138.859 0 301 A1H1R BBB C7  1 ? ?  
HETATM 5506 C C8  . A1H1R D 2 .   ? 23.203 -48.444 -9.376  1.000 150.860 0 301 A1H1R BBB C8  1 ? ?  
HETATM 5507 O O9  . A1H1R D 2 .   ? 23.546 -47.594 -8.353  1.000 138.579 0 301 A1H1R BBB O9  1 ? ?  
HETATM 5508 C C11 . A1H1R D 2 .   ? 24.331 -47.232 -6.129  1.000 127.214 0 301 A1H1R BBB C11 1 ? ?  
HETATM 5509 N N17 . A1H1R D 2 .   ? 30.224 -44.345 -6.976  1.000 95.519  0 301 A1H1R BBB N17 1 ? ?  
HETATM 5510 C C18 . A1H1R D 2 .   ? 31.455 -44.240 -6.196  1.000 95.725  0 301 A1H1R BBB C18 1 ? ?  
HETATM 5511 C C19 . A1H1R D 2 .   ? 30.078 -44.199 -8.342  1.000 94.193  0 301 A1H1R BBB C19 1 ? ?  
HETATM 5512 C C20 . A1H1R D 2 .   ? 31.217 -43.907 -9.254  1.000 93.055  0 301 A1H1R BBB C20 1 ? ?  
HETATM 5513 N N21 . A1H1R D 2 .   ? 30.854 -43.337 -10.431 1.000 91.070  0 301 A1H1R BBB N21 1 ? ?  
HETATM 5514 C C22 . A1H1R D 2 .   ? 31.657 -42.998 -11.552 1.000 89.549  0 301 A1H1R BBB C22 1 ? ?  
HETATM 5515 C C23 . A1H1R D 2 .   ? 33.034 -43.208 -11.657 1.000 87.380  0 301 A1H1R BBB C23 1 ? ?  
HETATM 5516 C C24 . A1H1R D 2 .   ? 33.706 -42.901 -12.828 1.000 84.535  0 301 A1H1R BBB C24 1 ? ?  
HETATM 5517 C C25 . A1H1R D 2 .   ? 32.993 -42.378 -13.903 1.000 82.421  0 301 A1H1R BBB C25 1 ? ?  
HETATM 5518 S S26 . A1H1R D 2 .   ? 33.622 -41.871 -15.451 1.000 78.000  0 301 A1H1R BBB S26 1 ? ?  
HETATM 5519 C C27 . A1H1R D 2 .   ? 32.015 -41.361 -15.952 1.000 72.749  0 301 A1H1R BBB C27 1 ? ?  
HETATM 5520 C C28 . A1H1R D 2 .   ? 31.859 -40.683 -17.255 1.000 67.671  0 301 A1H1R BBB C28 1 ? ?  
HETATM 5521 N N29 . A1H1R D 2 .   ? 32.997 -40.420 -17.976 1.000 67.313  0 301 A1H1R BBB N29 1 ? ?  
HETATM 5522 C C30 . A1H1R D 2 .   ? 33.061 -39.504 -19.031 1.000 66.251  0 301 A1H1R BBB C30 1 ? ?  
HETATM 5523 C C31 . A1H1R D 2 .   ? 32.015 -38.724 -19.438 1.000 66.071  0 301 A1H1R BBB C31 1 ? ?  
HETATM 5524 N N32 . A1H1R D 2 .   ? 32.527 -37.955 -20.439 1.000 67.531  0 301 A1H1R BBB N32 1 ? ?  
HETATM 5525 C C33 . A1H1R D 2 .   ? 31.777 -36.921 -21.148 1.000 70.598  0 301 A1H1R BBB C33 1 ? ?  
HETATM 5526 C C34 . A1H1R D 2 .   ? 33.840 -38.305 -20.587 1.000 70.347  0 301 A1H1R BBB C34 1 ? ?  
HETATM 5527 C C35 . A1H1R D 2 .   ? 34.771 -37.660 -21.557 1.000 71.295  0 301 A1H1R BBB C35 1 ? ?  
HETATM 5528 O O36 . A1H1R D 2 .   ? 36.011 -38.143 -21.431 1.000 76.800  0 301 A1H1R BBB O36 1 ? ?  
HETATM 5529 C C37 . A1H1R D 2 .   ? 37.042 -37.557 -22.286 1.000 79.295  0 301 A1H1R BBB C37 1 ? ?  
HETATM 5530 C C38 . A1H1R D 2 .   ? 36.899 -38.087 -23.649 1.000 81.703  0 301 A1H1R BBB C38 1 ? ?  
HETATM 5531 O O39 . A1H1R D 2 .   ? 34.442 -36.812 -22.350 1.000 74.187  0 301 A1H1R BBB O39 1 ? ?  
HETATM 5532 N N40 . A1H1R D 2 .   ? 34.188 -39.258 -19.730 1.000 70.156  0 301 A1H1R BBB N40 1 ? ?  
HETATM 5533 O O41 . A1H1R D 2 .   ? 30.742 -40.352 -17.640 1.000 67.731  0 301 A1H1R BBB O41 1 ? ?  
HETATM 5534 C C42 . A1H1R D 2 .   ? 31.104 -41.578 -15.010 1.000 75.736  0 301 A1H1R BBB C42 1 ? ?  
HETATM 5535 C C43 . A1H1R D 2 .   ? 31.606 -42.157 -13.811 1.000 80.370  0 301 A1H1R BBB C43 1 ? ?  
HETATM 5536 C C44 . A1H1R D 2 .   ? 30.938 -42.472 -12.624 1.000 83.514  0 301 A1H1R BBB C44 1 ? ?  
HETATM 5537 O O45 . A1H1R D 2 .   ? 32.377 -44.175 -8.940  1.000 94.551  0 301 A1H1R BBB O45 1 ? ?  
HETATM 5538 C C46 . A1H1R D 2 .   ? 28.753 -44.421 -8.654  1.000 94.982  0 301 A1H1R BBB C46 1 ? ?  
HETATM 5539 O O47 . A1H1R D 2 .   ? 26.680 -45.513 -5.083  1.000 114.987 0 301 A1H1R BBB O47 1 ? ?  
HETATM 5540 C C48 . A1H1R D 2 .   ? 23.806 -49.667 -9.625  1.000 157.998 0 301 A1H1R BBB C48 1 ? ?  
HETATM 5541 C C49 . A1H1R D 2 .   ? 23.395 -50.460 -10.699 1.000 165.235 0 301 A1H1R BBB C49 1 ? ?  
HETATM 5542 N N50 . A1H1R D 2 .   ? 24.068 -51.690 -10.836 1.000 167.849 0 301 A1H1R BBB N50 1 ? ?  
HETATM 5543 C C51 . A1H1R D 2 .   ? 23.499 -52.747 -11.329 1.000 170.340 0 301 A1H1R BBB C51 1 ? ?  
HETATM 5544 C C52 . A1H1R D 2 .   ? 23.040 -52.941 -12.754 1.000 172.895 0 301 A1H1R BBB C52 1 ? ?  
HETATM 5545 N N53 . A1H1R D 2 .   ? 22.670 -51.631 -13.328 1.000 174.310 0 301 A1H1R BBB N53 1 ? ?  
HETATM 5546 C C54 . A1H1R D 2 .   ? 23.296 -51.381 -14.638 1.000 174.459 0 301 A1H1R BBB C54 1 ? ?  
HETATM 5547 C C55 . A1H1R D 2 .   ? 23.884 -52.728 -15.015 1.000 174.613 0 301 A1H1R BBB C55 1 ? ?  
HETATM 5548 C C56 . A1H1R D 2 .   ? 24.166 -53.395 -13.687 1.000 173.969 0 301 A1H1R BBB C56 1 ? ?  
HETATM 5549 C C11 . A1H1Q E 3 .   ? 49.370 -12.269 -22.700 1.000 105.118 0 302 A1H1Q BBB C11 1 ? ?  
HETATM 5550 C C12 . A1H1Q E 3 .   ? 47.867 -12.137 -22.917 1.000 103.963 0 302 A1H1Q BBB C12 1 ? ?  
HETATM 5551 C C13 . A1H1Q E 3 .   ? 47.430 -12.374 -24.345 1.000 101.891 0 302 A1H1Q BBB C13 1 ? ?  
HETATM 5552 C C15 . A1H1Q E 3 .   ? 46.318 -14.066 -25.787 1.000 89.310  0 302 A1H1Q BBB C15 1 ? ?  
HETATM 5553 C C16 . A1H1Q E 3 .   ? 46.387 -13.533 -27.050 1.000 86.588  0 302 A1H1Q BBB C16 1 ? ?  
HETATM 5554 C C18 . A1H1Q E 3 .   ? 45.386 -13.956 -29.300 1.000 85.235  0 302 A1H1Q BBB C18 1 ? ?  
HETATM 5555 C C22 . A1H1Q E 3 .   ? 42.430 -18.029 -26.677 1.000 60.411  0 302 A1H1Q BBB C22 1 ? ?  
HETATM 5556 C C23 . A1H1Q E 3 .   ? 41.517 -18.226 -27.712 1.000 61.558  0 302 A1H1Q BBB C23 1 ? ?  
HETATM 5557 C C24 . A1H1Q E 3 .   ? 40.670 -19.322 -27.706 1.000 62.513  0 302 A1H1Q BBB C24 1 ? ?  
HETATM 5558 C C25 . A1H1Q E 3 .   ? 40.743 -20.231 -26.655 1.000 65.186  0 302 A1H1Q BBB C25 1 ? ?  
HETATM 5559 N N21 . A1H1Q E 3 .   ? 43.346 -16.953 -26.622 1.000 63.155  0 302 A1H1Q BBB N21 1 ? ?  
HETATM 5560 O O1  . A1H1Q E 3 .   ? 56.274 -12.595 -19.233 1.000 147.819 0 302 A1H1Q BBB O1  1 ? ?  
HETATM 5561 C C2  . A1H1Q E 3 .   ? 55.428 -12.238 -18.432 1.000 146.864 0 302 A1H1Q BBB C2  1 ? ?  
HETATM 5562 C C3  . A1H1Q E 3 .   ? 53.989 -12.156 -18.846 1.000 139.075 0 302 A1H1Q BBB C3  1 ? ?  
HETATM 5563 C C4  . A1H1Q E 3 .   ? 53.749 -12.515 -20.176 1.000 132.149 0 302 A1H1Q BBB C4  1 ? ?  
HETATM 5564 C C5  . A1H1Q E 3 .   ? 52.461 -12.498 -20.689 1.000 127.729 0 302 A1H1Q BBB C5  1 ? ?  
HETATM 5565 O O6  . A1H1Q E 3 .   ? 52.124 -12.870 -21.961 1.000 126.672 0 302 A1H1Q BBB O6  1 ? ?  
HETATM 5566 C C7  . A1H1Q E 3 .   ? 53.151 -13.388 -22.802 1.000 124.859 0 302 A1H1Q BBB C7  1 ? ?  
HETATM 5567 C C8  . A1H1Q E 3 .   ? 51.384 -12.110 -19.862 1.000 122.554 0 302 A1H1Q BBB C8  1 ? ?  
HETATM 5568 O O9  . A1H1Q E 3 .   ? 50.125 -12.083 -20.418 1.000 112.597 0 302 A1H1Q BBB O9  1 ? ?  
HETATM 5569 C C10 . A1H1Q E 3 .   ? 49.892 -11.335 -21.628 1.000 107.664 0 302 A1H1Q BBB C10 1 ? ?  
HETATM 5570 N N14 . A1H1Q E 3 .   ? 46.937 -13.626 -24.603 1.000 97.285  0 302 A1H1Q BBB N14 1 ? ?  
HETATM 5571 N N17 . A1H1Q E 3 .   ? 45.560 -14.256 -27.881 1.000 85.155  0 302 A1H1Q BBB N17 1 ? ?  
HETATM 5572 C C19 . A1H1Q E 3 .   ? 44.957 -15.261 -27.149 1.000 77.913  0 302 A1H1Q BBB C19 1 ? ?  
HETATM 5573 C C20 . A1H1Q E 3 .   ? 43.977 -16.286 -27.626 1.000 71.078  0 302 A1H1Q BBB C20 1 ? ?  
HETATM 5574 S S26 . A1H1Q E 3 .   ? 39.890 -21.748 -26.530 1.000 74.268  0 302 A1H1Q BBB S26 1 ? ?  
HETATM 5575 C C27 . A1H1Q E 3 .   ? 40.776 -22.150 -25.060 1.000 71.273  0 302 A1H1Q BBB C27 1 ? ?  
HETATM 5576 C C28 . A1H1Q E 3 .   ? 40.606 -23.508 -24.493 1.000 72.905  0 302 A1H1Q BBB C28 1 ? ?  
HETATM 5577 N N29 . A1H1Q E 3 .   ? 39.752 -24.365 -25.153 1.000 72.916  0 302 A1H1Q BBB N29 1 ? ?  
HETATM 5578 C C30 . A1H1Q E 3 .   ? 39.498 -25.693 -24.785 1.000 75.085  0 302 A1H1Q BBB C30 1 ? ?  
HETATM 5579 C C31 . A1H1Q E 3 .   ? 39.799 -26.183 -23.544 1.000 76.581  0 302 A1H1Q BBB C31 1 ? ?  
HETATM 5580 N N32 . A1H1Q E 3 .   ? 39.360 -27.483 -23.563 1.000 76.051  0 302 A1H1Q BBB N32 1 ? ?  
HETATM 5581 C C33 . A1H1Q E 3 .   ? 39.466 -28.396 -22.427 1.000 75.196  0 302 A1H1Q BBB C33 1 ? ?  
HETATM 5582 C C34 . A1H1Q E 3 .   ? 38.819 -27.712 -24.800 1.000 80.209  0 302 A1H1Q BBB C34 1 ? ?  
HETATM 5583 C C35 . A1H1Q E 3 .   ? 38.186 -29.014 -25.238 1.000 84.064  0 302 A1H1Q BBB C35 1 ? ?  
HETATM 5584 S S36 . A1H1Q E 3 .   ? 38.431 -30.484 -24.258 1.000 105.942 0 302 A1H1Q BBB S36 1 ? ?  
HETATM 5585 C C37 . A1H1Q E 3 .   ? 36.773 -30.703 -23.557 1.000 112.497 0 302 A1H1Q BBB C37 1 ? ?  
HETATM 5586 C C38 . A1H1Q E 3 .   ? 36.667 -31.511 -22.247 1.000 113.882 0 302 A1H1Q BBB C38 1 ? ?  
HETATM 5587 O O39 . A1H1Q E 3 .   ? 35.415 -32.199 -22.219 1.000 112.279 0 302 A1H1Q BBB O39 1 ? ?  
HETATM 5588 C C40 . A1H1Q E 3 .   ? 37.799 -32.494 -21.942 1.000 115.410 0 302 A1H1Q BBB C40 1 ? ?  
HETATM 5589 O O41 . A1H1Q E 3 .   ? 37.299 -33.580 -21.159 1.000 111.601 0 302 A1H1Q BBB O41 1 ? ?  
HETATM 5590 C C42 . A1H1Q E 3 .   ? 39.023 -31.924 -21.243 1.000 116.300 0 302 A1H1Q BBB C42 1 ? ?  
HETATM 5591 S S43 . A1H1Q E 3 .   ? 39.792 -33.056 -20.057 1.000 124.512 0 302 A1H1Q BBB S43 1 ? ?  
HETATM 5592 O O44 . A1H1Q E 3 .   ? 37.532 -29.108 -26.257 1.000 80.023  0 302 A1H1Q BBB O44 1 ? ?  
HETATM 5593 N N45 . A1H1Q E 3 .   ? 38.892 -26.625 -25.575 1.000 75.479  0 302 A1H1Q BBB N45 1 ? ?  
HETATM 5594 O O46 . A1H1Q E 3 .   ? 41.254 -23.843 -23.498 1.000 73.170  0 302 A1H1Q BBB O46 1 ? ?  
HETATM 5595 C C47 . A1H1Q E 3 .   ? 41.642 -21.171 -24.708 1.000 68.339  0 302 A1H1Q BBB C47 1 ? ?  
HETATM 5596 C C48 . A1H1Q E 3 .   ? 41.662 -20.047 -25.601 1.000 64.841  0 302 A1H1Q BBB C48 1 ? ?  
HETATM 5597 C C49 . A1H1Q E 3 .   ? 42.508 -18.934 -25.618 1.000 61.563  0 302 A1H1Q BBB C49 1 ? ?  
HETATM 5598 O O50 . A1H1Q E 3 .   ? 43.768 -16.487 -28.821 1.000 73.976  0 302 A1H1Q BBB O50 1 ? ?  
HETATM 5599 C C51 . A1H1Q E 3 .   ? 45.409 -15.167 -25.854 1.000 85.112  0 302 A1H1Q BBB C51 1 ? ?  
HETATM 5600 O O52 . A1H1Q E 3 .   ? 47.529 -11.505 -25.208 1.000 103.092 0 302 A1H1Q BBB O52 1 ? ?  
HETATM 5601 C C53 . A1H1Q E 3 .   ? 51.626 -11.759 -18.544 1.000 124.232 0 302 A1H1Q BBB C53 1 ? ?  
HETATM 5602 C C54 . A1H1Q E 3 .   ? 52.921 -11.770 -18.023 1.000 134.570 0 302 A1H1Q BBB C54 1 ? ?  
HETATM 5603 N N55 . A1H1Q E 3 .   ? 53.030 -11.335 -16.687 1.000 137.062 0 302 A1H1Q BBB N55 1 ? ?  
HETATM 5604 C C56 . A1H1Q E 3 .   ? 53.730 -11.968 -15.796 1.000 141.111 0 302 A1H1Q BBB C56 1 ? ?  
HETATM 5605 C C57 . A1H1Q E 3 .   ? 55.137 -12.495 -15.953 1.000 147.459 0 302 A1H1Q BBB C57 1 ? ?  
HETATM 5606 N N58 . A1H1Q E 3 .   ? 55.748 -11.910 -17.165 1.000 149.963 0 302 A1H1Q BBB N58 1 ? ?  
HETATM 5607 C C59 . A1H1Q E 3 .   ? 56.820 -10.958 -16.844 1.000 147.587 0 302 A1H1Q BBB C59 1 ? ?  
HETATM 5608 C C60 . A1H1Q E 3 .   ? 57.337 -11.471 -15.522 1.000 146.392 0 302 A1H1Q BBB C60 1 ? ?  
HETATM 5609 C C61 . A1H1Q E 3 .   ? 56.090 -12.021 -14.840 1.000 147.143 0 302 A1H1Q BBB C61 1 ? ?  
HETATM 5610 S S1  . DTV   F 4 .   ? 37.047 -23.533 -22.651 1.000 136.028 0 303 DTV   BBB S1  1 ? ?  
HETATM 5611 C C1  . DTV   F 4 .   ? 36.315 -24.517 -23.983 1.000 125.510 0 303 DTV   BBB C1  1 ? ?  
HETATM 5612 C C2  . DTV   F 4 .   ? 35.329 -25.548 -23.477 1.000 121.365 0 303 DTV   BBB C2  1 ? ?  
HETATM 5613 O O2  . DTV   F 4 .   ? 34.018 -25.151 -23.851 1.000 122.842 0 303 DTV   BBB O2  1 ? ?  
HETATM 5614 C C3  . DTV   F 4 .   ? 35.601 -26.973 -23.993 1.000 117.777 0 303 DTV   BBB C3  1 ? ?  
HETATM 5615 O O3  . DTV   F 4 .   ? 35.601 -26.970 -25.418 1.000 120.223 0 303 DTV   BBB O3  1 ? ?  
HETATM 5616 C C4  . DTV   F 4 .   ? 34.603 -27.996 -23.493 1.000 116.810 0 303 DTV   BBB C4  1 ? ?  
HETATM 5617 S S4  . DTV   F 4 .   ? 34.239 -29.340 -24.650 1.000 116.263 0 303 DTV   BBB S4  1 ? ?  
HETATM 5618 C C10 . A1H1R G 2 .   ? 49.176 10.411  -5.017  1.000 126.406 0 301 A1H1R CCC C10 1 ? ?  
HETATM 5619 C C12 . A1H1R G 2 .   ? 46.791 11.216  -4.821  1.000 129.086 0 301 A1H1R CCC C12 1 ? ?  
HETATM 5620 C C13 . A1H1R G 2 .   ? 46.808 12.480  -5.646  1.000 130.568 0 301 A1H1R CCC C13 1 ? ?  
HETATM 5621 C C15 . A1H1R G 2 .   ? 46.874 13.292  -7.976  1.000 130.507 0 301 A1H1R CCC C15 1 ? ?  
HETATM 5622 C C16 . A1H1R G 2 .   ? 46.990 14.645  -7.827  1.000 133.858 0 301 A1H1R CCC C16 1 ? ?  
HETATM 5623 N N14 . A1H1R G 2 .   ? 46.906 12.283  -6.998  1.000 132.073 0 301 A1H1R CCC N14 1 ? ?  
HETATM 5624 O O1  . A1H1R G 2 .   ? 56.216 11.065  -6.681  1.000 125.184 0 301 A1H1R CCC O1  1 ? ?  
HETATM 5625 C C2  . A1H1R G 2 .   ? 55.640 10.101  -6.210  1.000 127.114 0 301 A1H1R CCC C2  1 ? ?  
HETATM 5626 C C3  . A1H1R G 2 .   ? 54.209 10.220  -5.779  1.000 125.952 0 301 A1H1R CCC C3  1 ? ?  
HETATM 5627 C C4  . A1H1R G 2 .   ? 53.895 11.461  -5.223  1.000 135.711 0 301 A1H1R CCC C4  1 ? ?  
HETATM 5628 C C5  . A1H1R G 2 .   ? 52.587 11.768  -4.892  1.000 137.633 0 301 A1H1R CCC C5  1 ? ?  
HETATM 5629 O O6  . A1H1R G 2 .   ? 52.183 12.926  -4.283  1.000 146.547 0 301 A1H1R CCC O6  1 ? ?  
HETATM 5630 C C7  . A1H1R G 2 .   ? 53.168 13.718  -3.617  1.000 141.525 0 301 A1H1R CCC C7  1 ? ?  
HETATM 5631 C C8  . A1H1R G 2 .   ? 51.568 10.821  -5.117  1.000 125.471 0 301 A1H1R CCC C8  1 ? ?  
HETATM 5632 O O9  . A1H1R G 2 .   ? 50.306 11.269  -4.823  1.000 124.363 0 301 A1H1R CCC O9  1 ? ?  
HETATM 5633 C C11 . A1H1R G 2 .   ? 48.098 10.936  -4.100  1.000 128.714 0 301 A1H1R CCC C11 1 ? ?  
HETATM 5634 N N17 . A1H1R G 2 .   ? 46.888 15.234  -9.057  1.000 135.904 0 301 A1H1R CCC N17 1 ? ?  
HETATM 5635 C C18 . A1H1R G 2 .   ? 46.984 16.676  -9.273  1.000 138.334 0 301 A1H1R CCC C18 1 ? ?  
HETATM 5636 C C19 . A1H1R G 2 .   ? 46.704 14.252  -10.011 1.000 133.559 0 301 A1H1R CCC C19 1 ? ?  
HETATM 5637 C C20 . A1H1R G 2 .   ? 46.575 14.552  -11.464 1.000 128.049 0 301 A1H1R CCC C20 1 ? ?  
HETATM 5638 N N21 . A1H1R G 2 .   ? 47.018 13.554  -12.291 1.000 121.808 0 301 A1H1R CCC N21 1 ? ?  
HETATM 5639 C C22 . A1H1R G 2 .   ? 47.099 13.534  -13.709 1.000 114.895 0 301 A1H1R CCC C22 1 ? ?  
HETATM 5640 C C23 . A1H1R G 2 .   ? 47.119 14.719  -14.444 1.000 111.079 0 301 A1H1R CCC C23 1 ? ?  
HETATM 5641 C C24 . A1H1R G 2 .   ? 47.314 14.695  -15.814 1.000 106.555 0 301 A1H1R CCC C24 1 ? ?  
HETATM 5642 C C25 . A1H1R G 2 .   ? 47.487 13.475  -16.458 1.000 100.837 0 301 A1H1R CCC C25 1 ? ?  
HETATM 5643 S S26 . A1H1R G 2 .   ? 47.735 13.235  -18.167 1.000 90.396  0 301 A1H1R CCC S26 1 ? ?  
HETATM 5644 C C27 . A1H1R G 2 .   ? 47.803 11.506  -17.940 1.000 89.064  0 301 A1H1R CCC C27 1 ? ?  
HETATM 5645 C C28 . A1H1R G 2 .   ? 47.969 10.650  -19.138 1.000 78.261  0 301 A1H1R CCC C28 1 ? ?  
HETATM 5646 N N29 . A1H1R G 2 .   ? 47.879 11.254  -20.375 1.000 73.046  0 301 A1H1R CCC N29 1 ? ?  
HETATM 5647 C C30 . A1H1R G 2 .   ? 47.588 10.599  -21.586 1.000 71.850  0 301 A1H1R CCC C30 1 ? ?  
HETATM 5648 C C31 . A1H1R G 2 .   ? 47.323 9.259   -21.659 1.000 69.122  0 301 A1H1R CCC C31 1 ? ?  
HETATM 5649 N N32 . A1H1R G 2 .   ? 47.089 9.021   -22.984 1.000 68.586  0 301 A1H1R CCC N32 1 ? ?  
HETATM 5650 C C33 . A1H1R G 2 .   ? 46.771 7.707   -23.542 1.000 67.654  0 301 A1H1R CCC C33 1 ? ?  
HETATM 5651 C C34 . A1H1R G 2 .   ? 47.222 10.213  -23.641 1.000 69.488  0 301 A1H1R CCC C34 1 ? ?  
HETATM 5652 C C35 . A1H1R G 2 .   ? 47.051 10.365  -25.119 1.000 69.098  0 301 A1H1R CCC C35 1 ? ?  
HETATM 5653 O O36 . A1H1R G 2 .   ? 47.470 11.564  -25.536 1.000 70.714  0 301 A1H1R CCC O36 1 ? ?  
HETATM 5654 C C37 . A1H1R G 2 .   ? 47.372 11.847  -26.965 1.000 70.145  0 301 A1H1R CCC C37 1 ? ?  
HETATM 5655 C C38 . A1H1R G 2 .   ? 45.990 12.284  -27.262 1.000 72.875  0 301 A1H1R CCC C38 1 ? ?  
HETATM 5656 O O39 . A1H1R G 2 .   ? 46.589 9.514   -25.839 1.000 67.536  0 301 A1H1R CCC O39 1 ? ?  
HETATM 5657 N N40 . A1H1R G 2 .   ? 47.529 11.200  -22.800 1.000 70.122  0 301 A1H1R CCC N40 1 ? ?  
HETATM 5658 O O41 . A1H1R G 2 .   ? 48.181 9.447   -18.999 1.000 80.569  0 301 A1H1R CCC O41 1 ? ?  
HETATM 5659 C C42 . A1H1R G 2 .   ? 47.651 11.164  -16.637 1.000 93.823  0 301 A1H1R CCC C42 1 ? ?  
HETATM 5660 C C43 . A1H1R G 2 .   ? 47.464 12.267  -15.735 1.000 99.153  0 301 A1H1R CCC C43 1 ? ?  
HETATM 5661 C C44 . A1H1R G 2 .   ? 47.267 12.302  -14.347 1.000 107.252 0 301 A1H1R CCC C44 1 ? ?  
HETATM 5662 O O45 . A1H1R G 2 .   ? 46.104 15.620  -11.854 1.000 131.974 0 301 A1H1R CCC O45 1 ? ?  
HETATM 5663 C C46 . A1H1R G 2 .   ? 46.692 13.036  -9.370  1.000 130.957 0 301 A1H1R CCC C46 1 ? ?  
HETATM 5664 O O47 . A1H1R G 2 .   ? 46.736 13.595  -5.132  1.000 124.914 0 301 A1H1R CCC O47 1 ? ?  
HETATM 5665 C C48 . A1H1R G 2 .   ? 51.881 9.585   -5.658  1.000 116.608 0 301 A1H1R CCC C48 1 ? ?  
HETATM 5666 C C49 . A1H1R G 2 .   ? 53.200 9.268   -5.989  1.000 119.934 0 301 A1H1R CCC C49 1 ? ?  
HETATM 5667 N N50 . A1H1R G 2 .   ? 53.389 7.953   -6.456  1.000 120.357 0 301 A1H1R CCC N50 1 ? ?  
HETATM 5668 C C51 . A1H1R G 2 .   ? 54.486 7.299   -6.252  1.000 124.936 0 301 A1H1R CCC C51 1 ? ?  
HETATM 5669 C C52 . A1H1R G 2 .   ? 55.840 7.680   -6.799  1.000 126.643 0 301 A1H1R CCC C52 1 ? ?  
HETATM 5670 N N53 . A1H1R G 2 .   ? 56.246 8.906   -6.086  1.000 127.452 0 301 A1H1R CCC N53 1 ? ?  
HETATM 5671 C C54 . A1H1R G 2 .   ? 57.419 8.707   -5.217  1.000 127.706 0 301 A1H1R CCC C54 1 ? ?  
HETATM 5672 C C55 . A1H1R G 2 .   ? 57.574 7.202   -5.168  1.000 129.157 0 301 A1H1R CCC C55 1 ? ?  
HETATM 5673 C C56 . A1H1R G 2 .   ? 56.990 6.721   -6.477  1.000 128.989 0 301 A1H1R CCC C56 1 ? ?  
HETATM 5674 C C11 . A1H1Q H 3 .   ? 23.602 9.220   -40.031 1.000 176.077 0 302 A1H1Q CCC C11 1 ? ?  
HETATM 5675 C C12 . A1H1Q H 3 .   ? 23.646 8.012   -40.978 1.000 168.733 0 302 A1H1Q CCC C12 1 ? ?  
HETATM 5676 C C13 . A1H1Q H 3 .   ? 25.037 7.744   -41.522 1.000 159.892 0 302 A1H1Q CCC C13 1 ? ?  
HETATM 5677 C C15 . A1H1Q H 3 .   ? 26.641 6.072   -42.255 1.000 130.055 0 302 A1H1Q CCC C15 1 ? ?  
HETATM 5678 C C16 . A1H1Q H 3 .   ? 27.083 5.699   -43.503 1.000 119.504 0 302 A1H1Q CCC C16 1 ? ?  
HETATM 5679 C C18 . A1H1Q H 3 .   ? 29.224 4.953   -44.567 1.000 109.216 0 302 A1H1Q CCC C18 1 ? ?  
HETATM 5680 C C22 . A1H1Q H 3 .   ? 31.468 5.409   -39.386 1.000 106.586 0 302 A1H1Q CCC C22 1 ? ?  
HETATM 5681 C C23 . A1H1Q H 3 .   ? 32.477 4.485   -39.654 1.000 106.338 0 302 A1H1Q CCC C23 1 ? ?  
HETATM 5682 C C24 . A1H1Q H 3 .   ? 33.518 4.302   -38.762 1.000 109.659 0 302 A1H1Q CCC C24 1 ? ?  
HETATM 5683 C C25 . A1H1Q H 3 .   ? 33.554 5.056   -37.594 1.000 112.584 0 302 A1H1Q CCC C25 1 ? ?  
HETATM 5684 N N21 . A1H1Q H 3 .   ? 30.354 5.582   -40.244 1.000 105.293 0 302 A1H1Q CCC N21 1 ? ?  
HETATM 5685 O O1  . A1H1Q H 3 .   ? 18.564 16.054  -38.501 1.000 205.229 0 302 A1H1Q CCC O1  1 ? ?  
HETATM 5686 C C2  . A1H1Q H 3 .   ? 18.279 14.886  -38.310 1.000 205.825 0 302 A1H1Q CCC C2  1 ? ?  
HETATM 5687 C C3  . A1H1Q H 3 .   ? 19.253 13.805  -38.667 1.000 209.017 0 302 A1H1Q CCC C3  1 ? ?  
HETATM 5688 C C4  . A1H1Q H 3 .   ? 19.898 13.985  -39.894 1.000 206.241 0 302 A1H1Q CCC C4  1 ? ?  
HETATM 5689 C C5  . A1H1Q H 3 .   ? 20.830 13.063  -40.343 1.000 201.259 0 302 A1H1Q CCC C5  1 ? ?  
HETATM 5690 O O6  . A1H1Q H 3 .   ? 21.542 13.175  -41.506 1.000 190.475 0 302 A1H1Q CCC O6  1 ? ?  
HETATM 5691 C C7  . A1H1Q H 3 .   ? 21.420 14.386  -42.254 1.000 183.181 0 302 A1H1Q CCC C7  1 ? ?  
HETATM 5692 C C8  . A1H1Q H 3 .   ? 21.125 11.925  -39.559 1.000 201.569 0 302 A1H1Q CCC C8  1 ? ?  
HETATM 5693 O O9  . A1H1Q H 3 .   ? 22.059 11.069  -40.120 1.000 192.848 0 302 A1H1Q CCC O9  1 ? ?  
HETATM 5694 C C10 . A1H1Q H 3 .   ? 22.206 9.700   -39.667 1.000 181.516 0 302 A1H1Q CCC C10 1 ? ?  
HETATM 5695 N N14 . A1H1Q H 3 .   ? 25.342 6.451   -41.866 1.000 146.165 0 302 A1H1Q CCC N14 1 ? ?  
HETATM 5696 N N17 . A1H1Q H 3 .   ? 28.428 5.398   -43.426 1.000 111.741 0 302 A1H1Q CCC N17 1 ? ?  
HETATM 5697 C C19 . A1H1Q H 3 .   ? 28.853 5.579   -42.124 1.000 111.275 0 302 A1H1Q CCC C19 1 ? ?  
HETATM 5698 C C20 . A1H1Q H 3 .   ? 30.233 5.342   -41.588 1.000 104.428 0 302 A1H1Q CCC C20 1 ? ?  
HETATM 5699 S S26 . A1H1Q H 3 .   ? 34.865 5.100   -36.451 1.000 119.969 0 302 A1H1Q CCC S26 1 ? ?  
HETATM 5700 C C27 . A1H1Q H 3 .   ? 34.085 6.396   -35.569 1.000 120.342 0 302 A1H1Q CCC C27 1 ? ?  
HETATM 5701 C C28 . A1H1Q H 3 .   ? 34.871 7.006   -34.474 1.000 122.553 0 302 A1H1Q CCC C28 1 ? ?  
HETATM 5702 N N29 . A1H1Q H 3 .   ? 36.185 6.601   -34.383 1.000 120.680 0 302 A1H1Q CCC N29 1 ? ?  
HETATM 5703 C C30 . A1H1Q H 3 .   ? 37.161 7.010   -33.473 1.000 116.202 0 302 A1H1Q CCC C30 1 ? ?  
HETATM 5704 C C31 . A1H1Q H 3 .   ? 37.101 8.163   -32.744 1.000 113.668 0 302 A1H1Q CCC C31 1 ? ?  
HETATM 5705 N N32 . A1H1Q H 3 .   ? 38.220 8.134   -31.955 1.000 111.663 0 302 A1H1Q CCC N32 1 ? ?  
HETATM 5706 C C33 . A1H1Q H 3 .   ? 38.561 9.172   -30.984 1.000 109.807 0 302 A1H1Q CCC C33 1 ? ?  
HETATM 5707 C C34 . A1H1Q H 3 .   ? 38.894 6.976   -32.246 1.000 112.770 0 302 A1H1Q CCC C34 1 ? ?  
HETATM 5708 C C35 . A1H1Q H 3 .   ? 40.163 6.490   -31.560 1.000 111.022 0 302 A1H1Q CCC C35 1 ? ?  
HETATM 5709 S S36 . A1H1Q H 3 .   ? 41.381 7.625   -30.948 1.000 109.229 0 302 A1H1Q CCC S36 1 ? ?  
HETATM 5710 C C37 . A1H1Q H 3 .   ? 41.471 7.087   -29.213 1.000 111.210 0 302 A1H1Q CCC C37 1 ? ?  
HETATM 5711 C C38 . A1H1Q H 3 .   ? 41.971 8.126   -28.166 1.000 108.315 0 302 A1H1Q CCC C38 1 ? ?  
HETATM 5712 O O39 . A1H1Q H 3 .   ? 43.386 8.316   -28.209 1.000 106.445 0 302 A1H1Q CCC O39 1 ? ?  
HETATM 5713 C C40 . A1H1Q H 3 .   ? 41.268 9.484   -28.185 1.000 108.934 0 302 A1H1Q CCC C40 1 ? ?  
HETATM 5714 O O41 . A1H1Q H 3 .   ? 41.073 9.918   -29.529 1.000 108.863 0 302 A1H1Q CCC O41 1 ? ?  
HETATM 5715 C C42 . A1H1Q H 3 .   ? 41.898 10.653  -27.443 1.000 108.153 0 302 A1H1Q CCC C42 1 ? ?  
HETATM 5716 S S43 . A1H1Q H 3 .   ? 40.956 12.194  -27.572 1.000 111.999 0 302 A1H1Q CCC S43 1 ? ?  
HETATM 5717 O O44 . A1H1Q H 3 .   ? 40.394 5.306   -31.403 1.000 108.825 0 302 A1H1Q CCC O44 1 ? ?  
HETATM 5718 N N45 . A1H1Q H 3 .   ? 38.261 6.268   -33.180 1.000 114.510 0 302 A1H1Q CCC N45 1 ? ?  
HETATM 5719 O O46 . A1H1Q H 3 .   ? 34.364 7.840   -33.718 1.000 120.345 0 302 A1H1Q CCC O46 1 ? ?  
HETATM 5720 C C47 . A1H1Q H 3 .   ? 32.894 6.749   -36.120 1.000 115.795 0 302 A1H1Q CCC C47 1 ? ?  
HETATM 5721 C C48 . A1H1Q H 3 .   ? 32.545 5.998   -37.305 1.000 112.988 0 302 A1H1Q CCC C48 1 ? ?  
HETATM 5722 C C49 . A1H1Q H 3 .   ? 31.493 6.170   -38.214 1.000 109.837 0 302 A1H1Q CCC C49 1 ? ?  
HETATM 5723 O O50 . A1H1Q H 3 .   ? 31.164 4.978   -42.312 1.000 90.495  0 302 A1H1Q CCC O50 1 ? ?  
HETATM 5724 C C51 . A1H1Q H 3 .   ? 27.771 5.995   -41.381 1.000 121.886 0 302 A1H1Q CCC C51 1 ? ?  
HETATM 5725 O O52 . A1H1Q H 3 .   ? 25.849 8.650   -41.671 1.000 161.783 0 302 A1H1Q CCC O52 1 ? ?  
HETATM 5726 C C53 . A1H1Q H 3 .   ? 20.487 11.750  -38.338 1.000 205.368 0 302 A1H1Q CCC C53 1 ? ?  
HETATM 5727 C C54 . A1H1Q H 3 .   ? 19.545 12.681  -37.882 1.000 208.702 0 302 A1H1Q CCC C54 1 ? ?  
HETATM 5728 N N55 . A1H1Q H 3 .   ? 18.954 12.400  -36.634 1.000 205.784 0 302 A1H1Q CCC N55 1 ? ?  
HETATM 5729 C C56 . A1H1Q H 3 .   ? 17.678 12.598  -36.403 1.000 203.582 0 302 A1H1Q CCC C56 1 ? ?  
HETATM 5730 C C57 . A1H1Q H 3 .   ? 16.930 13.910  -36.436 1.000 202.015 0 302 A1H1Q CCC C57 1 ? ?  
HETATM 5731 N N58 . A1H1Q H 3 .   ? 17.099 14.522  -37.770 1.000 202.424 0 302 A1H1Q CCC N58 1 ? ?  
HETATM 5732 C C59 . A1H1Q H 3 .   ? 15.818 14.745  -38.460 1.000 197.870 0 302 A1H1Q CCC C59 1 ? ?  
HETATM 5733 C C60 . A1H1Q H 3 .   ? 14.813 14.733  -37.331 1.000 195.287 0 302 A1H1Q CCC C60 1 ? ?  
HETATM 5734 C C61 . A1H1Q H 3 .   ? 15.404 13.750  -36.341 1.000 198.495 0 302 A1H1Q CCC C61 1 ? ?  
HETATM 5735 C C10 . A1H1R I 2 .   ? 15.148 -24.808 -19.973 1.000 56.409  0 301 A1H1R AAA C10 1 ? ?  
HETATM 5736 C C12 . A1H1R I 2 .   ? 16.088 -22.506 -19.646 1.000 55.151  0 301 A1H1R AAA C12 1 ? ?  
HETATM 5737 C C13 . A1H1R I 2 .   ? 15.451 -21.160 -19.429 1.000 61.330  0 301 A1H1R AAA C13 1 ? ?  
HETATM 5738 C C15 . A1H1R I 2 .   ? 14.316 -19.737 -17.793 1.000 63.207  0 301 A1H1R AAA C15 1 ? ?  
HETATM 5739 C C16 . A1H1R I 2 .   ? 14.161 -18.605 -18.537 1.000 64.336  0 301 A1H1R AAA C16 1 ? ?  
HETATM 5740 N N14 . A1H1R I 2 .   ? 14.990 -20.914 -18.159 1.000 62.007  0 301 A1H1R AAA N14 1 ? ?  
HETATM 5741 O O1  . A1H1R I 2 .   ? 12.691 -30.156 -15.820 1.000 60.116  0 301 A1H1R AAA O1  1 ? ?  
HETATM 5742 C C2  . A1H1R I 2 .   ? 12.204 -29.633 -16.806 1.000 61.698  0 301 A1H1R AAA C2  1 ? ?  
HETATM 5743 C C3  . A1H1R I 2 .   ? 12.778 -28.359 -17.346 1.000 56.453  0 301 A1H1R AAA C3  1 ? ?  
HETATM 5744 C C4  . A1H1R I 2 .   ? 14.107 -28.109 -16.990 1.000 52.696  0 301 A1H1R AAA C4  1 ? ?  
HETATM 5745 C C5  . A1H1R I 2 .   ? 14.744 -26.960 -17.429 1.000 52.676  0 301 A1H1R AAA C5  1 ? ?  
HETATM 5746 O O6  . A1H1R I 2 .   ? 16.047 -26.639 -17.166 1.000 51.262  0 301 A1H1R AAA O6  1 ? ?  
HETATM 5747 C C7  . A1H1R I 2 .   ? 16.829 -27.581 -16.436 1.000 49.224  0 301 A1H1R AAA C7  1 ? ?  
HETATM 5748 C C8  . A1H1R I 2 .   ? 14.049 -26.041 -18.232 1.000 54.202  0 301 A1H1R AAA C8  1 ? ?  
HETATM 5749 O O9  . A1H1R I 2 .   ? 14.713 -24.910 -18.620 1.000 54.549  0 301 A1H1R AAA O9  1 ? ?  
HETATM 5750 C C11 . A1H1R I 2 .   ? 15.121 -23.384 -20.417 1.000 55.192  0 301 A1H1R AAA C11 1 ? ?  
HETATM 5751 N N17 . A1H1R I 2 .   ? 13.452 -17.694 -17.813 1.000 67.294  0 301 A1H1R AAA N17 1 ? ?  
HETATM 5752 C C18 . A1H1R I 2 .   ? 13.129 -16.356 -18.302 1.000 67.875  0 301 A1H1R AAA C18 1 ? ?  
HETATM 5753 C C19 . A1H1R I 2 .   ? 13.138 -18.243 -16.585 1.000 64.081  0 301 A1H1R AAA C19 1 ? ?  
HETATM 5754 C C20 . A1H1R I 2 .   ? 12.293 -17.564 -15.563 1.000 68.143  0 301 A1H1R AAA C20 1 ? ?  
HETATM 5755 N N21 . A1H1R I 2 .   ? 12.501 -17.994 -14.287 1.000 68.074  0 301 A1H1R AAA N21 1 ? ?  
HETATM 5756 C C22 . A1H1R I 2 .   ? 11.850 -17.601 -13.089 1.000 68.977  0 301 A1H1R AAA C22 1 ? ?  
HETATM 5757 C C23 . A1H1R I 2 .   ? 10.835 -16.643 -13.054 1.000 69.242  0 301 A1H1R AAA C23 1 ? ?  
HETATM 5758 C C24 . A1H1R I 2 .   ? 10.214 -16.317 -11.860 1.000 66.446  0 301 A1H1R AAA C24 1 ? ?  
HETATM 5759 C C25 . A1H1R I 2 .   ? 10.611 -16.955 -10.690 1.000 65.478  0 301 A1H1R AAA C25 1 ? ?  
HETATM 5760 S S26 . A1H1R I 2 .   ? 9.997  -16.665 -9.082  1.000 63.180  0 301 A1H1R AAA S26 1 ? ?  
HETATM 5761 C C27 . A1H1R I 2 .   ? 11.123 -17.837 -8.424  1.000 62.553  0 301 A1H1R AAA C27 1 ? ?  
HETATM 5762 C C28 . A1H1R I 2 .   ? 11.210 -17.976 -6.954  1.000 58.132  0 301 A1H1R AAA C28 1 ? ?  
HETATM 5763 N N29 . A1H1R I 2 .   ? 10.317 -17.266 -6.187  1.000 55.285  0 301 A1H1R AAA N29 1 ? ?  
HETATM 5764 C C30 . A1H1R I 2 .   ? 10.492 -17.046 -4.816  1.000 54.402  0 301 A1H1R AAA C30 1 ? ?  
HETATM 5765 C C31 . A1H1R I 2 .   ? 11.611 -17.437 -4.131  1.000 53.222  0 301 A1H1R AAA C31 1 ? ?  
HETATM 5766 N N32 . A1H1R I 2 .   ? 11.392 -17.032 -2.849  1.000 54.187  0 301 A1H1R AAA N32 1 ? ?  
HETATM 5767 C C33 . A1H1R I 2 .   ? 12.326 -17.239 -1.744  1.000 54.752  0 301 A1H1R AAA C33 1 ? ?  
HETATM 5768 C C34 . A1H1R I 2 .   ? 10.169 -16.425 -2.819  1.000 54.263  0 301 A1H1R AAA C34 1 ? ?  
HETATM 5769 C C35 . A1H1R I 2 .   ? 9.571  -15.858 -1.584  1.000 51.465  0 301 A1H1R AAA C35 1 ? ?  
HETATM 5770 O O36 . A1H1R I 2 .   ? 8.340  -15.396 -1.810  1.000 55.851  0 301 A1H1R AAA O36 1 ? ?  
HETATM 5771 C C37 . A1H1R I 2 .   ? 7.605  -14.844 -0.672  1.000 56.343  0 301 A1H1R AAA C37 1 ? ?  
HETATM 5772 C C38 . A1H1R I 2 .   ? 7.615  -13.382 -0.780  1.000 55.713  0 301 A1H1R AAA C38 1 ? ?  
HETATM 5773 O O39 . A1H1R I 2 .   ? 10.141 -15.817 -0.526  1.000 53.990  0 301 A1H1R AAA O39 1 ? ?  
HETATM 5774 N N40 . A1H1R I 2 .   ? 9.597  -16.423 -4.021  1.000 55.208  0 301 A1H1R AAA N40 1 ? ?  
HETATM 5775 O O41 . A1H1R I 2 .   ? 12.091 -18.669 -6.464  1.000 59.577  0 301 A1H1R AAA O41 1 ? ?  
HETATM 5776 C C42 . A1H1R I 2 .   ? 11.887 -18.395 -9.380  1.000 61.264  0 301 A1H1R AAA C42 1 ? ?  
HETATM 5777 C C43 . A1H1R I 2 .   ? 11.636 -17.923 -10.706 1.000 63.284  0 301 A1H1R AAA C43 1 ? ?  
HETATM 5778 C C44 . A1H1R I 2 .   ? 12.256 -18.245 -11.919 1.000 64.948  0 301 A1H1R AAA C44 1 ? ?  
HETATM 5779 O O45 . A1H1R I 2 .   ? 11.468 -16.709 -15.879 1.000 69.605  0 301 A1H1R AAA O45 1 ? ?  
HETATM 5780 C C46 . A1H1R I 2 .   ? 13.664 -19.511 -16.542 1.000 62.598  0 301 A1H1R AAA C46 1 ? ?  
HETATM 5781 O O47 . A1H1R I 2 .   ? 15.305 -20.368 -20.355 1.000 62.500  0 301 A1H1R AAA O47 1 ? ?  
HETATM 5782 C C48 . A1H1R I 2 .   ? 12.736 -26.290 -18.584 1.000 56.553  0 301 A1H1R AAA C48 1 ? ?  
HETATM 5783 C C49 . A1H1R I 2 .   ? 12.089 -27.444 -18.149 1.000 54.920  0 301 A1H1R AAA C49 1 ? ?  
HETATM 5784 N N50 . A1H1R I 2 .   ? 10.764 -27.598 -18.597 1.000 62.982  0 301 A1H1R AAA N50 1 ? ?  
HETATM 5785 C C51 . A1H1R I 2 .   ? 10.392 -28.680 -19.199 1.000 65.086  0 301 A1H1R AAA C51 1 ? ?  
HETATM 5786 C C52 . A1H1R I 2 .   ? 10.895 -30.070 -18.901 1.000 65.715  0 301 A1H1R AAA C52 1 ? ?  
HETATM 5787 N N53 . A1H1R I 2 .   ? 11.146 -30.167 -17.449 1.000 67.013  0 301 A1H1R AAA N53 1 ? ?  
HETATM 5788 C C54 . A1H1R I 2 .   ? 10.109 -30.949 -16.760 1.000 69.008  0 301 A1H1R AAA C54 1 ? ?  
HETATM 5789 C C55 . A1H1R I 2 .   ? 9.667  -31.926 -17.822 1.000 68.906  0 301 A1H1R AAA C55 1 ? ?  
HETATM 5790 C C56 . A1H1R I 2 .   ? 9.829  -31.156 -19.129 1.000 70.026  0 301 A1H1R AAA C56 1 ? ?  
HETATM 5791 C C10 . A1H1R J 2 .   ? 21.544 5.828   11.611  1.000 143.847 0 302 A1H1R AAA C10 1 ? ?  
HETATM 5792 C C12 . A1H1R J 2 .   ? 20.170 6.496   13.631  1.000 125.448 0 302 A1H1R AAA C12 1 ? ?  
HETATM 5793 C C13 . A1H1R J 2 .   ? 19.664 5.486   14.635  1.000 116.530 0 302 A1H1R AAA C13 1 ? ?  
HETATM 5794 C C15 . A1H1R J 2 .   ? 18.886 3.132   14.809  1.000 89.493  0 302 A1H1R AAA C15 1 ? ?  
HETATM 5795 C C16 . A1H1R J 2 .   ? 18.497 2.984   16.114  1.000 80.756  0 302 A1H1R AAA C16 1 ? ?  
HETATM 5796 N N14 . A1H1R J 2 .   ? 19.389 4.247   14.115  1.000 104.249 0 302 A1H1R AAA N14 1 ? ?  
HETATM 5797 O O1  . A1H1R J 2 .   ? 23.201 2.231   6.105   1.000 184.366 0 302 A1H1R AAA O1  1 ? ?  
HETATM 5798 C C2  . A1H1R J 2 .   ? 23.682 3.350   6.146   1.000 188.966 0 302 A1H1R AAA C2  1 ? ?  
HETATM 5799 C C3  . A1H1R J 2 .   ? 23.537 4.173   7.391   1.000 187.439 0 302 A1H1R AAA C3  1 ? ?  
HETATM 5800 C C4  . A1H1R J 2 .   ? 23.561 3.428   8.573   1.000 181.960 0 302 A1H1R AAA C4  1 ? ?  
HETATM 5801 C C5  . A1H1R J 2 .   ? 23.366 4.048   9.796   1.000 177.041 0 302 A1H1R AAA C5  1 ? ?  
HETATM 5802 O O6  . A1H1R J 2 .   ? 23.411 3.414   11.007  1.000 174.581 0 302 A1H1R AAA O6  1 ? ?  
HETATM 5803 C C7  . A1H1R J 2 .   ? 23.749 2.028   11.022  1.000 168.793 0 302 A1H1R AAA C7  1 ? ?  
HETATM 5804 C C8  . A1H1R J 2 .   ? 23.142 5.440   9.848   1.000 173.153 0 302 A1H1R AAA C8  1 ? ?  
HETATM 5805 O O9  . A1H1R J 2 .   ? 22.867 5.992   11.072  1.000 157.102 0 302 A1H1R AAA O9  1 ? ?  
HETATM 5806 C C11 . A1H1R J 2 .   ? 21.560 6.175   13.083  1.000 134.750 0 302 A1H1R AAA C11 1 ? ?  
HETATM 5807 N N17 . A1H1R J 2 .   ? 18.054 1.698   16.300  1.000 79.632  0 302 A1H1R AAA N17 1 ? ?  
HETATM 5808 C C18 . A1H1R J 2 .   ? 17.558 1.194   17.578  1.000 76.622  0 302 A1H1R AAA C18 1 ? ?  
HETATM 5809 C C19 . A1H1R J 2 .   ? 18.159 1.010   15.104  1.000 76.028  0 302 A1H1R AAA C19 1 ? ?  
HETATM 5810 C C20 . A1H1R J 2 .   ? 17.778 -0.426  14.908  1.000 69.374  0 302 A1H1R AAA C20 1 ? ?  
HETATM 5811 N N21 . A1H1R J 2 .   ? 17.839 -0.855  13.615  1.000 64.696  0 302 A1H1R AAA N21 1 ? ?  
HETATM 5812 C C22 . A1H1R J 2 .   ? 17.548 -2.135  13.079  1.000 62.836  0 302 A1H1R AAA C22 1 ? ?  
HETATM 5813 C C23 . A1H1R J 2 .   ? 17.534 -3.319  13.818  1.000 64.148  0 302 A1H1R AAA C23 1 ? ?  
HETATM 5814 C C24 . A1H1R J 2 .   ? 17.223 -4.525  13.211  1.000 65.206  0 302 A1H1R AAA C24 1 ? ?  
HETATM 5815 C C25 . A1H1R J 2 .   ? 16.918 -4.546  11.854  1.000 65.220  0 302 A1H1R AAA C25 1 ? ?  
HETATM 5816 S S26 . A1H1R J 2 .   ? 16.355 -5.919  10.932  1.000 68.930  0 302 A1H1R AAA S26 1 ? ?  
HETATM 5817 C C27 . A1H1R J 2 .   ? 16.116 -4.906  9.507   1.000 66.617  0 302 A1H1R AAA C27 1 ? ?  
HETATM 5818 C C28 . A1H1R J 2 .   ? 15.547 -5.512  8.276   1.000 66.740  0 302 A1H1R AAA C28 1 ? ?  
HETATM 5819 N N29 . A1H1R J 2 .   ? 14.999 -6.779  8.365   1.000 67.297  0 302 A1H1R AAA N29 1 ? ?  
HETATM 5820 C C30 . A1H1R J 2 .   ? 14.371 -7.485  7.319   1.000 66.934  0 302 A1H1R AAA C30 1 ? ?  
HETATM 5821 C C31 . A1H1R J 2 .   ? 14.393 -6.981  6.053   1.000 65.541  0 302 A1H1R AAA C31 1 ? ?  
HETATM 5822 N N32 . A1H1R J 2 .   ? 13.736 -7.918  5.284   1.000 67.349  0 302 A1H1R AAA N32 1 ? ?  
HETATM 5823 C C33 . A1H1R J 2 .   ? 13.478 -7.771  3.853   1.000 67.415  0 302 A1H1R AAA C33 1 ? ?  
HETATM 5824 C C34 . A1H1R J 2 .   ? 13.350 -8.938  6.114   1.000 70.183  0 302 A1H1R AAA C34 1 ? ?  
HETATM 5825 C C35 . A1H1R J 2 .   ? 12.522 -10.085 5.582   1.000 72.095  0 302 A1H1R AAA C35 1 ? ?  
HETATM 5826 O O36 . A1H1R J 2 .   ? 12.504 -11.184 6.356   1.000 81.359  0 302 A1H1R AAA O36 1 ? ?  
HETATM 5827 C C37 . A1H1R J 2 .   ? 13.383 -11.324 7.503   1.000 85.759  0 302 A1H1R AAA C37 1 ? ?  
HETATM 5828 C C38 . A1H1R J 2 .   ? 13.046 -12.658 8.105   1.000 85.229  0 302 A1H1R AAA C38 1 ? ?  
HETATM 5829 O O39 . A1H1R J 2 .   ? 11.949 -10.046 4.525   1.000 76.287  0 302 A1H1R AAA O39 1 ? ?  
HETATM 5830 N N40 . A1H1R J 2 .   ? 13.724 -8.706  7.381   1.000 66.987  0 302 A1H1R AAA N40 1 ? ?  
HETATM 5831 O O41 . A1H1R J 2 .   ? 15.550 -4.860  7.230   1.000 66.456  0 302 A1H1R AAA O41 1 ? ?  
HETATM 5832 C C42 . A1H1R J 2 .   ? 16.460 -3.613  9.751   1.000 66.581  0 302 A1H1R AAA C42 1 ? ?  
HETATM 5833 C C43 . A1H1R J 2 .   ? 16.925 -3.358  11.093  1.000 65.916  0 302 A1H1R AAA C43 1 ? ?  
HETATM 5834 C C44 . A1H1R J 2 .   ? 17.247 -2.146  11.718  1.000 65.597  0 302 A1H1R AAA C44 1 ? ?  
HETATM 5835 O O45 . A1H1R J 2 .   ? 17.447 -1.145  15.849  1.000 71.819  0 302 A1H1R AAA O45 1 ? ?  
HETATM 5836 C C46 . A1H1R J 2 .   ? 18.670 1.872   14.165  1.000 81.448  0 302 A1H1R AAA C46 1 ? ?  
HETATM 5837 O O47 . A1H1R J 2 .   ? 19.507 5.766   15.821  1.000 112.897 0 302 A1H1R AAA O47 1 ? ?  
HETATM 5838 C C48 . A1H1R J 2 .   ? 23.126 6.177   8.677   1.000 179.759 0 302 A1H1R AAA C48 1 ? ?  
HETATM 5839 C C49 . A1H1R J 2 .   ? 23.323 5.558   7.440   1.000 187.218 0 302 A1H1R AAA C49 1 ? ?  
HETATM 5840 N N50 . A1H1R J 2 .   ? 23.310 6.424   6.331   1.000 189.084 0 302 A1H1R AAA N50 1 ? ?  
HETATM 5841 C C51 . A1H1R J 2 .   ? 24.136 6.302   5.345   1.000 188.877 0 302 A1H1R AAA C51 1 ? ?  
HETATM 5842 C C52 . A1H1R J 2 .   ? 25.085 5.154   5.099   1.000 189.850 0 302 A1H1R AAA C52 1 ? ?  
HETATM 5843 N N53 . A1H1R J 2 .   ? 24.334 3.881   5.089   1.000 190.202 0 302 A1H1R AAA N53 1 ? ?  
HETATM 5844 C C54 . A1H1R J 2 .   ? 24.380 3.214   3.776   1.000 184.654 0 302 A1H1R AAA C54 1 ? ?  
HETATM 5845 C C55 . A1H1R J 2 .   ? 25.632 3.778   3.149   1.000 181.817 0 302 A1H1R AAA C55 1 ? ?  
HETATM 5846 C C56 . A1H1R J 2 .   ? 25.700 5.190   3.691   1.000 185.212 0 302 A1H1R AAA C56 1 ? ?  
HETATM 5847 S S1  . DTV   K 4 .   ? 13.934 -13.278 3.313   1.000 123.507 0 303 DTV   AAA S1  1 ? ?  
HETATM 5848 C C1  . DTV   K 4 .   ? 13.355 -12.574 1.746   1.000 116.695 0 303 DTV   AAA C1  1 ? ?  
HETATM 5849 C C2  . DTV   K 4 .   ? 12.097 -11.742 1.901   1.000 117.390 0 303 DTV   AAA C2  1 ? ?  
HETATM 5850 O O2  . DTV   K 4 .   ? 12.458 -10.407 2.232   1.000 112.562 0 303 DTV   AAA O2  1 ? ?  
HETATM 5851 C C3  . DTV   K 4 .   ? 11.188 -11.713 0.655   1.000 117.574 0 303 DTV   AAA C3  1 ? ?  
HETATM 5852 O O3  . DTV   K 4 .   ? 11.262 -12.960 -0.032  1.000 123.112 0 303 DTV   AAA O3  1 ? ?  
HETATM 5853 C C4  . DTV   K 4 .   ? 11.513 -10.590 -0.308  1.000 119.358 0 303 DTV   AAA C4  1 ? ?  
HETATM 5854 S S4  . DTV   K 4 .   ? 10.989 -8.957  0.276   1.000 115.804 0 303 DTV   AAA S4  1 ? ?  
HETATM 5855 S S1  . DTV   L 4 .   ? 16.868 -8.618  9.531   1.000 115.760 0 304 DTV   AAA S1  1 ? ?  
HETATM 5856 C C1  . DTV   L 4 .   ? 18.110 -7.917  8.413   1.000 124.121 0 304 DTV   AAA C1  1 ? ?  
HETATM 5857 C C2  . DTV   L 4 .   ? 17.895 -8.221  6.944   1.000 122.950 0 304 DTV   AAA C2  1 ? ?  
HETATM 5858 O O2  . DTV   L 4 .   ? 18.881 -7.517  6.181   1.000 126.513 0 304 DTV   AAA O2  1 ? ?  
HETATM 5859 C C3  . DTV   L 4 .   ? 17.941 -9.732  6.609   1.000 118.636 0 304 DTV   AAA C3  1 ? ?  
HETATM 5860 O O3  . DTV   L 4 .   ? 18.419 -9.897  5.288   1.000 125.706 0 304 DTV   AAA O3  1 ? ?  
HETATM 5861 C C4  . DTV   L 4 .   ? 16.606 -10.437 6.749   1.000 113.198 0 304 DTV   AAA C4  1 ? ?  
HETATM 5862 S S4  . DTV   L 4 .   ? 16.164 -11.625 5.451   1.000 105.860 0 304 DTV   AAA S4  1 ? ?  
HETATM 5863 O O   . HOH   M 5 .   ? 39.240 -31.642 -37.333 1.000 51.659  0 401 HOH   BBB O   1 ? ?  
HETATM 5864 O O   . HOH   M 5 .   ? 43.202 -20.181 -34.988 1.000 46.717  0 402 HOH   BBB O   1 ? ?  
HETATM 5865 O O   . HOH   M 5 .   ? 35.891 -29.647 -28.005 1.000 91.194  0 403 HOH   BBB O   1 ? ?  
HETATM 5866 O O   . HOH   M 5 .   ? 27.681 -34.373 -3.317  1.000 65.854  0 404 HOH   BBB O   1 ? ?  
HETATM 5867 O O   . HOH   M 5 .   ? 30.557 -44.878 -24.497 1.000 74.183  0 405 HOH   BBB O   1 ? ?  
HETATM 5868 O O   . HOH   M 5 .   ? 33.053 -34.272 -34.480 1.000 63.944  0 406 HOH   BBB O   1 ? ?  
HETATM 5869 O O   . HOH   M 5 .   ? 23.240 -27.133 -28.252 1.000 56.632  0 407 HOH   BBB O   1 ? ?  
HETATM 5870 O O   . HOH   M 5 .   ? 38.310 -38.766 -34.715 1.000 54.473  0 408 HOH   BBB O   1 ? ?  
HETATM 5871 O O   . HOH   M 5 .   ? 47.424 -34.291 -26.003 1.000 56.378  0 409 HOH   BBB O   1 ? ?  
HETATM 5872 O O   . HOH   M 5 .   ? 31.789 -6.804  -24.243 1.000 49.773  0 410 HOH   BBB O   1 ? ?  
HETATM 5873 O O   . HOH   M 5 .   ? 39.083 -13.132 -40.639 1.000 63.716  0 411 HOH   BBB O   1 ? ?  
HETATM 5874 O O   . HOH   M 5 .   ? 34.785 -38.401 -2.164  1.000 68.522  0 412 HOH   BBB O   1 ? ?  
HETATM 5875 O O   . HOH   M 5 .   ? 31.480 -33.641 -24.964 1.000 55.211  0 413 HOH   BBB O   1 ? ?  
HETATM 5876 O O   . HOH   M 5 .   ? 43.471 -14.661 -33.628 1.000 50.608  0 414 HOH   BBB O   1 ? ?  
HETATM 5877 O O   . HOH   M 5 .   ? 25.082 -23.322 -37.534 1.000 48.654  0 415 HOH   BBB O   1 ? ?  
HETATM 5878 O O   . HOH   M 5 .   ? 42.778 -35.243 -3.359  1.000 66.673  0 416 HOH   BBB O   1 ? ?  
HETATM 5879 O O   . HOH   M 5 .   ? 35.795 -9.744  -22.872 1.000 70.614  0 417 HOH   BBB O   1 ? ?  
HETATM 5880 O O   . HOH   M 5 .   ? 44.655 -28.794 -36.096 1.000 53.413  0 418 HOH   BBB O   1 ? ?  
HETATM 5881 O O   . HOH   M 5 .   ? 19.675 -35.172 -11.507 1.000 53.292  0 419 HOH   BBB O   1 ? ?  
HETATM 5882 O O   . HOH   M 5 .   ? 45.130 -42.517 -16.961 1.000 58.622  0 420 HOH   BBB O   1 ? ?  
HETATM 5883 O O   . HOH   M 5 .   ? 35.707 -56.065 -13.440 1.000 63.525  0 421 HOH   BBB O   1 ? ?  
HETATM 5884 O O   . HOH   M 5 .   ? 28.657 -26.846 -19.823 1.000 59.664  0 422 HOH   BBB O   1 ? ?  
HETATM 5885 O O   . HOH   M 5 .   ? 36.654 -15.008 -40.556 1.000 59.167  0 423 HOH   BBB O   1 ? ?  
HETATM 5886 O O   . HOH   M 5 .   ? 40.135 -39.644 -21.863 1.000 63.910  0 424 HOH   BBB O   1 ? ?  
HETATM 5887 O O   . HOH   M 5 .   ? 38.159 -31.615 -29.886 1.000 61.394  0 425 HOH   BBB O   1 ? ?  
HETATM 5888 O O   . HOH   M 5 .   ? 25.168 -25.767 -35.809 1.000 49.471  0 426 HOH   BBB O   1 ? ?  
HETATM 5889 O O   . HOH   M 5 .   ? 36.070 -19.697 -39.410 1.000 51.515  0 427 HOH   BBB O   1 ? ?  
HETATM 5890 O O   . HOH   M 5 .   ? 41.766 -13.813 -23.044 1.000 75.398  0 428 HOH   BBB O   1 ? ?  
HETATM 5891 O O   . HOH   M 5 .   ? 21.866 -21.202 -27.844 1.000 53.067  0 429 HOH   BBB O   1 ? ?  
HETATM 5892 O O   . HOH   M 5 .   ? 26.567 -15.148 -32.939 1.000 54.202  0 430 HOH   BBB O   1 ? ?  
HETATM 5893 O O   . HOH   M 5 .   ? 27.481 -29.214 -38.333 1.000 47.256  0 431 HOH   BBB O   1 ? ?  
HETATM 5894 O O   . HOH   M 5 .   ? 31.245 -20.195 -13.669 1.000 79.013  0 432 HOH   BBB O   1 ? ?  
HETATM 5895 O O   . HOH   M 5 .   ? 35.474 -20.391 -26.093 1.000 52.380  0 433 HOH   BBB O   1 ? ?  
HETATM 5896 O O   . HOH   M 5 .   ? 40.869 -20.282 -35.295 1.000 51.787  0 434 HOH   BBB O   1 ? ?  
HETATM 5897 O O   . HOH   M 5 .   ? 38.471 -31.996 -32.469 1.000 43.922  0 435 HOH   BBB O   1 ? ?  
HETATM 5898 O O   . HOH   M 5 .   ? 44.687 -38.841 -20.174 1.000 61.251  0 436 HOH   BBB O   1 ? ?  
HETATM 5899 O O   . HOH   M 5 .   ? 34.393 -22.422 -36.547 1.000 45.216  0 437 HOH   BBB O   1 ? ?  
HETATM 5900 O O   . HOH   M 5 .   ? 33.796 -34.110 -23.266 1.000 87.003  0 438 HOH   BBB O   1 ? ?  
HETATM 5901 O O   . HOH   M 5 .   ? 44.581 -37.454 -23.914 1.000 58.188  0 439 HOH   BBB O   1 ? ?  
HETATM 5902 O O   . HOH   M 5 .   ? 48.174 -31.037 -30.269 1.000 49.675  0 440 HOH   BBB O   1 ? ?  
HETATM 5903 O O   . HOH   M 5 .   ? 52.398 -9.117  -15.220 1.000 81.470  0 441 HOH   BBB O   1 ? ?  
HETATM 5904 O O   . HOH   M 5 .   ? 25.536 -19.194 -34.071 1.000 46.175  0 442 HOH   BBB O   1 ? ?  
HETATM 5905 O O   . HOH   M 5 .   ? 45.505 -51.242 -15.031 1.000 53.841  0 443 HOH   BBB O   1 ? ?  
HETATM 5906 O O   . HOH   M 5 .   ? 27.907 -31.110 -9.864  1.000 59.657  0 444 HOH   BBB O   1 ? ?  
HETATM 5907 O O   . HOH   M 5 .   ? 28.158 -24.630 -18.603 1.000 67.549  0 445 HOH   BBB O   1 ? ?  
HETATM 5908 O O   . HOH   M 5 .   ? 46.568 -48.889 -14.585 1.000 53.158  0 446 HOH   BBB O   1 ? ?  
HETATM 5909 O O   . HOH   M 5 .   ? 33.251 -39.805 -24.094 1.000 65.828  0 447 HOH   BBB O   1 ? ?  
HETATM 5910 O O   . HOH   M 5 .   ? 32.172 -47.699 -21.349 1.000 71.585  0 448 HOH   BBB O   1 ? ?  
HETATM 5911 O O   . HOH   M 5 .   ? 27.616 -31.867 -37.916 1.000 58.333  0 449 HOH   BBB O   1 ? ?  
HETATM 5912 O O   . HOH   M 5 .   ? 40.524 -27.520 -38.671 1.000 55.717  0 450 HOH   BBB O   1 ? ?  
HETATM 5913 O O   . HOH   M 5 .   ? 38.954 -58.084 -14.511 1.000 66.356  0 451 HOH   BBB O   1 ? ?  
HETATM 5914 O O   . HOH   M 5 .   ? 49.459 -45.436 -12.144 1.000 56.557  0 452 HOH   BBB O   1 ? ?  
HETATM 5915 O O   . HOH   M 5 .   ? 30.488 -24.686 -41.739 1.000 46.880  0 453 HOH   BBB O   1 ? ?  
HETATM 5916 O O   . HOH   M 5 .   ? 39.635 -23.305 -41.023 1.000 58.722  0 454 HOH   BBB O   1 ? ?  
HETATM 5917 O O   . HOH   M 5 .   ? 32.974 -12.982 -38.769 1.000 59.006  0 455 HOH   BBB O   1 ? ?  
HETATM 5918 O O   . HOH   M 5 .   ? 37.300 -22.668 -26.539 1.000 66.135  0 456 HOH   BBB O   1 ? ?  
HETATM 5919 O O   . HOH   M 5 .   ? 24.606 -24.639 -21.779 1.000 50.891  0 457 HOH   BBB O   1 ? ?  
HETATM 5920 O O   . HOH   M 5 .   ? 39.137 -37.958 -30.346 1.000 56.154  0 458 HOH   BBB O   1 ? ?  
HETATM 5921 O O   . HOH   M 5 .   ? 38.354 -41.099 -22.394 0.500 34.728  0 459 HOH   BBB O   1 ? ?  
HETATM 5922 O O   . HOH   M 5 .   ? 43.135 -15.958 -40.471 1.000 54.227  0 460 HOH   BBB O   1 ? ?  
HETATM 5923 O O   . HOH   M 5 .   ? 25.232 -25.644 -19.208 1.000 72.120  0 461 HOH   BBB O   1 ? ?  
HETATM 5924 O O   . HOH   M 5 .   ? 38.081 -20.778 -38.243 1.000 45.280  0 462 HOH   BBB O   1 ? ?  
HETATM 5925 O O   . HOH   M 5 .   ? 28.882 -18.290 -18.065 1.000 58.506  0 463 HOH   BBB O   1 ? ?  
HETATM 5926 O O   . HOH   M 5 .   ? 21.090 -36.383 -29.397 1.000 71.126  0 464 HOH   BBB O   1 ? ?  
HETATM 5927 O O   . HOH   M 5 .   ? 28.694 -11.196 -23.893 1.000 64.384  0 465 HOH   BBB O   1 ? ?  
HETATM 5928 O O   . HOH   M 5 .   ? 14.225 -30.600 -21.055 1.000 65.059  0 466 HOH   BBB O   1 ? ?  
HETATM 5929 O O   . HOH   M 5 .   ? 27.895 -28.959 -41.211 1.000 61.552  0 467 HOH   BBB O   1 ? ?  
HETATM 5930 O O   . HOH   M 5 .   ? 22.942 -20.816 -23.615 1.000 68.644  0 468 HOH   BBB O   1 ? ?  
HETATM 5931 O O   . HOH   M 5 .   ? 39.800 -15.929 -22.861 1.000 65.988  0 469 HOH   BBB O   1 ? ?  
HETATM 5932 O O   . HOH   M 5 .   ? 44.186 -12.745 -21.928 1.000 80.124  0 470 HOH   BBB O   1 ? ?  
HETATM 5933 O O   . HOH   M 5 .   ? 50.912 -7.467  -36.311 1.000 63.467  0 471 HOH   BBB O   1 ? ?  
HETATM 5934 O O   . HOH   M 5 .   ? 23.748 -25.021 -30.432 1.000 59.447  0 472 HOH   BBB O   1 ? ?  
HETATM 5935 O O   . HOH   M 5 .   ? 46.106 -37.148 -18.769 1.000 62.947  0 473 HOH   BBB O   1 ? ?  
HETATM 5936 O O   . HOH   M 5 .   ? 34.138 -22.281 -41.706 1.000 59.341  0 474 HOH   BBB O   1 ? ?  
HETATM 5937 O O   . HOH   M 5 .   ? 48.643 -41.108 -15.966 1.000 75.567  0 475 HOH   BBB O   1 ? ?  
HETATM 5938 O O   . HOH   M 5 .   ? 35.005 -21.988 -39.269 1.000 48.314  0 476 HOH   BBB O   1 ? ?  
HETATM 5939 O O   . HOH   M 5 .   ? 43.761 -12.133 -34.576 1.000 48.736  0 477 HOH   BBB O   1 ? ?  
HETATM 5940 O O   . HOH   M 5 .   ? 29.379 -11.622 -29.769 1.000 58.857  0 478 HOH   BBB O   1 ? ?  
HETATM 5941 O O   . HOH   M 5 .   ? 28.080 -24.459 -42.768 1.000 55.545  0 479 HOH   BBB O   1 ? ?  
HETATM 5942 O O   . HOH   M 5 .   ? 23.184 -23.561 -39.141 1.000 45.947  0 480 HOH   BBB O   1 ? ?  
HETATM 5943 O O   . HOH   M 5 .   ? 43.158 -41.907 -24.237 1.000 70.622  0 481 HOH   BBB O   1 ? ?  
HETATM 5944 O O   . HOH   M 5 .   ? 29.223 -38.161 -30.621 1.000 68.635  0 482 HOH   BBB O   1 ? ?  
HETATM 5945 O O   . HOH   M 5 .   ? 52.453 -8.162  -40.386 1.000 68.163  0 483 HOH   BBB O   1 ? ?  
HETATM 5946 O O   . HOH   M 5 .   ? 34.196 -26.997 -43.879 1.000 62.826  0 484 HOH   BBB O   1 ? ?  
HETATM 5947 O O   . HOH   M 5 .   ? 20.602 -24.122 -24.124 1.000 62.707  0 485 HOH   BBB O   1 ? ?  
HETATM 5948 O O   . HOH   M 5 .   ? 26.548 -26.606 -42.471 1.000 62.069  0 486 HOH   BBB O   1 ? ?  
HETATM 5949 O O   . HOH   N 5 .   ? 50.429 31.320  -19.279 1.000 79.445  0 401 HOH   CCC O   1 ? ?  
HETATM 5950 O O   . HOH   N 5 .   ? 40.084 -6.780  -46.092 1.000 75.031  0 402 HOH   CCC O   1 ? ?  
HETATM 5951 O O   . HOH   N 5 .   ? 49.103 6.330   -41.077 1.000 55.792  0 403 HOH   CCC O   1 ? ?  
HETATM 5952 O O   . HOH   N 5 .   ? 53.631 9.650   -36.221 1.000 48.213  0 404 HOH   CCC O   1 ? ?  
HETATM 5953 O O   . HOH   N 5 .   ? 33.200 2.360   -46.577 1.000 66.484  0 405 HOH   CCC O   1 ? ?  
HETATM 5954 O O   . HOH   N 5 .   ? 27.020 -6.270  -29.285 1.000 70.426  0 406 HOH   CCC O   1 ? ?  
HETATM 5955 O O   . HOH   N 5 .   ? 45.044 17.178  -30.932 1.000 54.640  0 407 HOH   CCC O   1 ? ?  
HETATM 5956 O O   . HOH   N 5 .   ? 47.176 -9.686  -37.450 1.000 56.761  0 408 HOH   CCC O   1 ? ?  
HETATM 5957 O O   . HOH   N 5 .   ? 42.927 -1.919  -41.568 1.000 41.616  0 409 HOH   CCC O   1 ? ?  
HETATM 5958 O O   . HOH   N 5 .   ? 36.013 20.799  -25.961 1.000 70.540  0 410 HOH   CCC O   1 ? ?  
HETATM 5959 O O   . HOH   N 5 .   ? 42.021 -2.807  -45.709 1.000 60.120  0 411 HOH   CCC O   1 ? ?  
HETATM 5960 O O   . HOH   N 5 .   ? 51.216 -4.892  -36.870 1.000 56.730  0 412 HOH   CCC O   1 ? ?  
HETATM 5961 O O   . HOH   N 5 .   ? 42.739 17.398  -35.407 1.000 57.092  0 413 HOH   CCC O   1 ? ?  
HETATM 5962 O O   . HOH   N 5 .   ? 38.502 0.559   -24.329 1.000 75.782  0 414 HOH   CCC O   1 ? ?  
HETATM 5963 O O   . HOH   N 5 .   ? 44.460 9.535   -43.870 1.000 49.346  0 415 HOH   CCC O   1 ? ?  
HETATM 5964 O O   . HOH   N 5 .   ? 47.235 15.868  -27.703 1.000 67.888  0 416 HOH   CCC O   1 ? ?  
HETATM 5965 O O   . HOH   N 5 .   ? 36.775 3.324   -35.426 1.000 71.650  0 417 HOH   CCC O   1 ? ?  
HETATM 5966 O O   . HOH   N 5 .   ? 38.004 4.122   -30.996 1.000 83.253  0 418 HOH   CCC O   1 ? ?  
HETATM 5967 O O   . HOH   N 5 .   ? 41.743 -11.283 -35.954 1.000 59.751  0 419 HOH   CCC O   1 ? ?  
HETATM 5968 O O   . HOH   N 5 .   ? 38.879 -4.443  -24.673 1.000 63.052  0 420 HOH   CCC O   1 ? ?  
HETATM 5969 O O   . HOH   N 5 .   ? 42.974 -13.187 -43.541 1.000 70.778  0 421 HOH   CCC O   1 ? ?  
HETATM 5970 O O   . HOH   N 5 .   ? 42.275 15.325  -39.959 1.000 55.331  0 422 HOH   CCC O   1 ? ?  
HETATM 5971 O O   . HOH   N 5 .   ? 33.539 4.704   -43.657 1.000 72.984  0 423 HOH   CCC O   1 ? ?  
HETATM 5972 O O   . HOH   N 5 .   ? 35.391 0.776   -34.727 1.000 48.787  0 424 HOH   CCC O   1 ? ?  
HETATM 5973 O O   . HOH   N 5 .   ? 46.985 7.169   -36.660 1.000 48.638  0 425 HOH   CCC O   1 ? ?  
HETATM 5974 O O   . HOH   N 5 .   ? 45.229 7.490   -34.604 1.000 51.740  0 426 HOH   CCC O   1 ? ?  
HETATM 5975 O O   . HOH   N 5 .   ? 50.708 9.006   -25.214 1.000 60.946  0 427 HOH   CCC O   1 ? ?  
HETATM 5976 O O   . HOH   N 5 .   ? 48.900 -6.044  -42.945 1.000 60.416  0 428 HOH   CCC O   1 ? ?  
HETATM 5977 O O   . HOH   N 5 .   ? 31.601 -3.062  -26.399 1.000 56.151  0 429 HOH   CCC O   1 ? ?  
HETATM 5978 O O   . HOH   N 5 .   ? 38.407 -5.454  -47.994 1.000 71.991  0 430 HOH   CCC O   1 ? ?  
HETATM 5979 O O   . HOH   N 5 .   ? 26.819 2.879   -37.961 1.000 55.057  0 431 HOH   CCC O   1 ? ?  
HETATM 5980 O O   . HOH   N 5 .   ? 48.871 15.137  -25.983 1.000 52.758  0 432 HOH   CCC O   1 ? ?  
HETATM 5981 O O   . HOH   N 5 .   ? 42.519 -13.541 -41.040 1.000 60.706  0 433 HOH   CCC O   1 ? ?  
HETATM 5982 O O   . HOH   N 5 .   ? 29.042 -8.522  -33.010 1.000 68.730  0 434 HOH   CCC O   1 ? ?  
HETATM 5983 O O   . HOH   N 5 .   ? 48.959 27.955  -21.082 1.000 62.972  0 435 HOH   CCC O   1 ? ?  
HETATM 5984 O O   . HOH   N 5 .   ? 60.292 22.502  -19.593 1.000 70.974  0 436 HOH   CCC O   1 ? ?  
HETATM 5985 O O   . HOH   N 5 .   ? 41.622 -0.177  -45.350 1.000 51.486  0 437 HOH   CCC O   1 ? ?  
HETATM 5986 O O   . HOH   N 5 .   ? 28.919 2.985   -36.392 1.000 59.831  0 438 HOH   CCC O   1 ? ?  
HETATM 5987 O O   . HOH   N 5 .   ? 53.308 -2.316  -26.590 1.000 72.591  0 439 HOH   CCC O   1 ? ?  
HETATM 5988 O O   . HOH   N 5 .   ? 44.244 15.129  -42.357 1.000 64.894  0 440 HOH   CCC O   1 ? ?  
HETATM 5989 O O   . HOH   N 5 .   ? 50.981 18.875  -27.745 1.000 78.317  0 441 HOH   CCC O   1 ? ?  
HETATM 5990 O O   . HOH   N 5 .   ? 50.687 11.687  -33.386 1.000 57.155  0 442 HOH   CCC O   1 ? ?  
HETATM 5991 O O   . HOH   N 5 .   ? 54.003 29.446  -18.240 1.000 88.158  0 443 HOH   CCC O   1 ? ?  
HETATM 5992 O O   . HOH   N 5 .   ? 51.489 27.426  -20.545 1.000 68.391  0 444 HOH   CCC O   1 ? ?  
HETATM 5993 O O   . HOH   N 5 .   ? 40.271 17.073  -44.344 1.000 67.977  0 445 HOH   CCC O   1 ? ?  
HETATM 5994 O O   . HOH   N 5 .   ? 35.470 6.310   -30.785 1.000 83.248  0 446 HOH   CCC O   1 ? ?  
HETATM 5995 O O   . HOH   N 5 .   ? 50.781 17.068  -25.722 1.000 66.722  0 447 HOH   CCC O   1 ? ?  
HETATM 5996 O O   . HOH   N 5 .   ? 44.045 -2.632  -43.948 1.000 55.085  0 448 HOH   CCC O   1 ? ?  
HETATM 5997 O O   . HOH   N 5 .   ? 43.378 -2.352  -48.846 1.000 83.439  0 449 HOH   CCC O   1 ? ?  
HETATM 5998 O O   . HOH   N 5 .   ? 30.512 -10.183 -35.648 1.000 70.083  0 450 HOH   CCC O   1 ? ?  
HETATM 5999 O O   . HOH   N 5 .   ? 54.636 33.195  -14.540 1.000 65.486  0 451 HOH   CCC O   1 ? ?  
HETATM 6000 O O   . HOH   N 5 .   ? 45.114 -0.947  -45.773 1.000 66.321  0 452 HOH   CCC O   1 ? ?  
HETATM 6001 O O   . HOH   N 5 .   ? 62.495 17.510  -21.514 1.000 79.681  0 453 HOH   CCC O   1 ? ?  
HETATM 6002 O O   . HOH   N 5 .   ? 53.458 2.982   -29.221 1.000 73.998  0 454 HOH   CCC O   1 ? ?  
HETATM 6003 O O   . HOH   O 5 .   ? 24.193 -26.482 -6.414  1.000 60.884  0 401 HOH   AAA O   1 ? ?  
HETATM 6004 O O   . HOH   O 5 .   ? 7.878  -19.942 10.832  1.000 54.853  0 402 HOH   AAA O   1 ? ?  
HETATM 6005 O O   . HOH   O 5 .   ? 25.934 -22.872 -5.404  1.000 60.256  0 403 HOH   AAA O   1 ? ?  
HETATM 6006 O O   . HOH   O 5 .   ? 4.969  -14.326 14.523  1.000 60.696  0 404 HOH   AAA O   1 ? ?  
HETATM 6007 O O   . HOH   O 5 .   ? 6.978  -19.071 20.131  1.000 72.532  0 405 HOH   AAA O   1 ? ?  
HETATM 6008 O O   . HOH   O 5 .   ? 24.593 -18.328 5.349   1.000 55.353  0 406 HOH   AAA O   1 ? ?  
HETATM 6009 O O   . HOH   O 5 .   ? 4.624  -8.161  15.287  1.000 52.935  0 407 HOH   AAA O   1 ? ?  
HETATM 6010 O O   . HOH   O 5 .   ? 26.928 -22.785 1.858   1.000 57.331  0 408 HOH   AAA O   1 ? ?  
HETATM 6011 O O   . HOH   O 5 .   ? 21.019 -22.718 9.102   1.000 51.751  0 409 HOH   AAA O   1 ? ?  
HETATM 6012 O O   . HOH   O 5 .   ? 18.722 -22.393 18.942  1.000 44.182  0 410 HOH   AAA O   1 ? ?  
HETATM 6013 O O   . HOH   O 5 .   ? 20.120 -19.592 -23.004 1.000 67.743  0 411 HOH   AAA O   1 ? ?  
HETATM 6014 O O   . HOH   O 5 .   ? 10.743 -22.895 10.961  1.000 61.735  0 412 HOH   AAA O   1 ? ?  
HETATM 6015 O O   . HOH   O 5 .   ? 15.382 -22.651 -16.039 1.000 49.566  0 413 HOH   AAA O   1 ? ?  
HETATM 6016 O O   . HOH   O 5 .   ? 1.666  -17.742 8.685   1.000 50.432  0 414 HOH   AAA O   1 ? ?  
HETATM 6017 O O   . HOH   O 5 .   ? 26.086 -20.826 11.984  1.000 50.416  0 415 HOH   AAA O   1 ? ?  
HETATM 6018 O O   . HOH   O 5 .   ? 12.906 -23.298 16.592  1.000 48.014  0 416 HOH   AAA O   1 ? ?  
HETATM 6019 O O   . HOH   O 5 .   ? 23.499 -6.406  6.180   1.000 73.861  0 417 HOH   AAA O   1 ? ?  
HETATM 6020 O O   . HOH   O 5 .   ? 29.587 -12.286 16.461  1.000 61.257  0 418 HOH   AAA O   1 ? ?  
HETATM 6021 O O   . HOH   O 5 .   ? 23.246 -15.122 -8.818  1.000 70.275  0 419 HOH   AAA O   1 ? ?  
HETATM 6022 O O   . HOH   O 5 .   ? 19.805 -8.587  11.214  1.000 45.411  0 420 HOH   AAA O   1 ? ?  
HETATM 6023 O O   . HOH   O 5 .   ? 3.497  -4.321  9.296   1.000 55.170  0 421 HOH   AAA O   1 ? ?  
HETATM 6024 O O   . HOH   O 5 .   ? 25.345 -25.344 -4.443  1.000 51.282  0 422 HOH   AAA O   1 ? ?  
HETATM 6025 O O   . HOH   O 5 .   ? 4.160  -20.454 -7.020  1.000 54.474  0 423 HOH   AAA O   1 ? ?  
HETATM 6026 O O   . HOH   O 5 .   ? 9.852  -28.533 -1.280  1.000 62.581  0 424 HOH   AAA O   1 ? ?  
HETATM 6027 O O   . HOH   O 5 .   ? 7.242  -13.605 10.423  1.000 46.479  0 425 HOH   AAA O   1 ? ?  
HETATM 6028 O O   . HOH   O 5 .   ? 26.875 -15.424 1.179   1.000 70.604  0 426 HOH   AAA O   1 ? ?  
HETATM 6029 O O   . HOH   O 5 .   ? 6.589  -11.623 18.045  1.000 57.040  0 427 HOH   AAA O   1 ? ?  
HETATM 6030 O O   . HOH   O 5 .   ? 18.304 -30.926 -14.953 1.000 57.370  0 428 HOH   AAA O   1 ? ?  
HETATM 6031 O O   . HOH   O 5 .   ? 13.224 -7.219  19.224  1.000 55.766  0 429 HOH   AAA O   1 ? ?  
HETATM 6032 O O   . HOH   O 5 .   ? 25.201 -9.910  18.756  1.000 58.959  0 430 HOH   AAA O   1 ? ?  
HETATM 6033 O O   . HOH   O 5 .   ? 22.913 -2.688  18.178  1.000 48.049  0 431 HOH   AAA O   1 ? ?  
HETATM 6034 O O   . HOH   O 5 .   ? 22.000 -15.130 2.441   1.000 62.007  0 432 HOH   AAA O   1 ? ?  
HETATM 6035 O O   . HOH   O 5 .   ? 13.071 -19.806 21.922  1.000 51.720  0 433 HOH   AAA O   1 ? ?  
HETATM 6036 O O   . HOH   O 5 .   ? 11.859 -5.047  19.211  1.000 53.314  0 434 HOH   AAA O   1 ? ?  
HETATM 6037 O O   . HOH   O 5 .   ? 3.360  -8.157  -3.086  1.000 69.562  0 435 HOH   AAA O   1 ? ?  
HETATM 6038 O O   . HOH   O 5 .   ? 5.203  -20.390 13.668  1.000 60.928  0 436 HOH   AAA O   1 ? ?  
HETATM 6039 O O   . HOH   O 5 .   ? 27.784 -15.661 3.987   1.000 77.419  0 437 HOH   AAA O   1 ? ?  
HETATM 6040 O O   . HOH   O 5 .   ? 8.056  -19.163 -0.868  1.000 49.676  0 438 HOH   AAA O   1 ? ?  
HETATM 6041 O O   . HOH   O 5 .   ? 14.624 -13.917 18.672  1.000 43.086  0 439 HOH   AAA O   1 ? ?  
HETATM 6042 O O   . HOH   O 5 .   ? 14.142 -12.349 22.579  1.000 55.772  0 440 HOH   AAA O   1 ? ?  
HETATM 6043 O O   . HOH   O 5 .   ? 8.812  -12.773 8.277   1.000 60.890  0 441 HOH   AAA O   1 ? ?  
HETATM 6044 O O   . HOH   O 5 .   ? 26.421 -18.848 -3.159  1.000 61.465  0 442 HOH   AAA O   1 ? ?  
HETATM 6045 O O   . HOH   O 5 .   ? 31.678 -8.844  6.977   1.000 69.784  0 443 HOH   AAA O   1 ? ?  
HETATM 6046 O O   . HOH   O 5 .   ? 13.083 -10.517 21.313  1.000 51.375  0 444 HOH   AAA O   1 ? ?  
HETATM 6047 O O   . HOH   O 5 .   ? 4.847  -14.915 -3.099  1.000 57.579  0 445 HOH   AAA O   1 ? ?  
HETATM 6048 O O   . HOH   O 5 .   ? 13.400 -27.579 5.843   1.000 67.311  0 446 HOH   AAA O   1 ? ?  
HETATM 6049 O O   . HOH   O 5 .   ? 7.277  -25.542 3.570   1.000 64.067  0 447 HOH   AAA O   1 ? ?  
HETATM 6050 O O   . HOH   O 5 .   ? 13.461 -17.371 2.932   1.000 53.355  0 448 HOH   AAA O   1 ? ?  
HETATM 6051 O O   . HOH   O 5 .   ? 3.151  -14.972 5.389   1.000 67.498  0 449 HOH   AAA O   1 ? ?  
HETATM 6052 O O   . HOH   O 5 .   ? 12.653 -4.804  25.895  1.000 59.900  0 450 HOH   AAA O   1 ? ?  
HETATM 6053 O O   . HOH   O 5 .   ? 24.476 -19.031 -11.074 1.000 60.754  0 451 HOH   AAA O   1 ? ?  
HETATM 6054 O O   . HOH   O 5 .   ? -3.320 -12.253 -14.623 1.000 52.802  0 452 HOH   AAA O   1 ? ?  
HETATM 6055 O O   . HOH   O 5 .   ? 25.545 -26.043 -13.281 1.000 75.956  0 453 HOH   AAA O   1 ? ?  
HETATM 6056 O O   . HOH   O 5 .   ? 22.425 -27.837 -13.552 1.000 66.376  0 454 HOH   AAA O   1 ? ?  
HETATM 6057 O O   . HOH   O 5 .   ? 20.083 -18.958 25.006  1.000 49.106  0 455 HOH   AAA O   1 ? ?  
HETATM 6058 O O   . HOH   O 5 .   ? 21.486 -21.814 12.058  1.000 57.928  0 456 HOH   AAA O   1 ? ?  
HETATM 6059 O O   . HOH   O 5 .   ? -5.604 -14.060 -17.081 1.000 63.386  0 457 HOH   AAA O   1 ? ?  
HETATM 6060 O O   . HOH   O 5 .   ? 21.609 1.603   -3.244  1.000 74.764  0 458 HOH   AAA O   1 ? ?  
HETATM 6061 O O   . HOH   O 5 .   ? 6.539  -18.103 -2.838  1.000 65.323  0 459 HOH   AAA O   1 ? ?  
HETATM 6062 O O   . HOH   O 5 .   ? 20.993 -18.654 -28.252 1.000 67.143  0 460 HOH   AAA O   1 ? ?  
HETATM 6063 O O   . HOH   O 5 .   ? 0.022  -14.236 -3.362  1.000 66.549  0 461 HOH   AAA O   1 ? ?  
HETATM 6064 O O   . HOH   O 5 .   ? 12.707 -24.667 10.611  1.000 57.144  0 462 HOH   AAA O   1 ? ?  
HETATM 6065 O O   . HOH   O 5 .   ? 24.546 -13.643 21.971  1.000 52.867  0 463 HOH   AAA O   1 ? ?  
HETATM 6066 O O   . HOH   O 5 .   ? 23.792 -24.003 8.298   1.000 63.033  0 464 HOH   AAA O   1 ? ?  
HETATM 6067 O O   . HOH   O 5 .   ? 6.937  -21.229 -0.549  1.000 55.997  0 465 HOH   AAA O   1 ? ?  
HETATM 6068 O O   . HOH   O 5 .   ? 23.972 -9.649  27.931  1.000 67.992  0 466 HOH   AAA O   1 ? ?  
HETATM 6069 O O   . HOH   O 5 .   ? 1.987  -17.559 -5.227  1.000 65.511  0 467 HOH   AAA O   1 ? ?  
HETATM 6070 O O   . HOH   O 5 .   ? 19.711 -21.932 -21.970 1.000 63.394  0 468 HOH   AAA O   1 ? ?  
HETATM 6071 O O   . HOH   O 5 .   ? 17.509 -22.929 16.491  1.000 55.199  0 469 HOH   AAA O   1 ? ?  
HETATM 6072 O O   . HOH   O 5 .   ? 19.176 -21.243 25.569  1.000 55.854  0 470 HOH   AAA O   1 ? ?  
HETATM 6073 O O   . HOH   O 5 .   ? 10.012 -29.432 5.087   1.000 66.574  0 471 HOH   AAA O   1 ? ?  
HETATM 6074 O O   . HOH   O 5 .   ? 11.326 -24.274 14.893  1.000 66.222  0 472 HOH   AAA O   1 ? ?  
HETATM 6075 O O   . HOH   O 5 .   ? 3.374  -20.086 8.436   1.000 65.604  0 473 HOH   AAA O   1 ? ?  
HETATM 6076 O O   . HOH   O 5 .   ? 8.525  -23.335 5.041   1.000 68.785  0 474 HOH   AAA O   1 ? ?  
HETATM 6077 O O   . HOH   O 5 .   ? 13.536 -14.249 21.075  1.000 52.989  0 475 HOH   AAA O   1 ? ?  
HETATM 6078 O O   . HOH   O 5 .   ? 27.945 -18.479 -10.074 1.000 77.896  0 476 HOH   AAA O   1 ? ?  
HETATM 6079 O O   . HOH   O 5 .   ? 22.488 -23.478 -22.690 1.000 58.895  0 477 HOH   AAA O   1 ? ?  
HETATM 6080 O O   . HOH   O 5 .   ? 15.042 -24.557 17.190  1.000 51.522  0 478 HOH   AAA O   1 ? ?  
HETATM 6081 O O   . HOH   O 5 .   ? 4.910  -28.841 -11.921 1.000 73.244  0 479 HOH   AAA O   1 ? ?  
HETATM 6082 O O   . HOH   O 5 .   ? -4.775 -10.395 -22.755 1.000 70.099  0 480 HOH   AAA O   1 ? ?  
HETATM 6083 O O   . HOH   O 5 .   ? -0.644 -18.159 -5.973  1.000 72.081  0 481 HOH   AAA O   1 ? ?  
HETATM 6084 O O   . HOH   O 5 .   ? 2.399  -21.126 -5.135  1.000 62.292  0 482 HOH   AAA O   1 ? ?  
HETATM 6085 O O   . HOH   O 5 .   ? 8.756  -23.224 9.430   1.000 66.822  0 483 HOH   AAA O   1 ? ?  
HETATM 6086 O O   . HOH   O 5 .   ? 9.633  -24.155 7.056   1.000 63.822  0 484 HOH   AAA O   1 ? ?  
HETATM 6087 O O   . HOH   O 5 .   ? 21.921 -9.486  31.663  1.000 68.717  0 485 HOH   AAA O   1 ? ?  
HETATM 6088 O O   . HOH   O 5 .   ? -0.684 -17.329 -1.374  1.000 77.525  0 486 HOH   AAA O   1 ? ?  
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . GLY A 1   ? 1.226 1.025 1.002 -0.004 0.036  0.089  0   GLY BBB N   
2    C CA  . GLY A 1   ? 1.171 1.027 0.964 -0.010 0.062  0.078  0   GLY BBB CA  
3    C C   . GLY A 1   ? 1.083 0.982 0.926 0.005  0.058  0.055  0   GLY BBB C   
4    O O   . GLY A 1   ? 1.065 0.960 0.916 0.023  0.040  0.048  0   GLY BBB O   
5    N N   . MET A 2   ? 1.025 0.964 0.900 -0.003 0.074  0.042  1   MET BBB N   
6    C CA  . MET A 2   ? 0.990 0.962 0.899 0.012  0.067  0.021  1   MET BBB CA  
7    C C   . MET A 2   ? 0.944 0.922 0.838 0.031  0.061  0.018  1   MET BBB C   
8    O O   . MET A 2   ? 0.914 0.888 0.813 0.043  0.049  0.013  1   MET BBB O   
9    C CB  . MET A 2   ? 1.001 1.014 0.942 0.005  0.080  0.004  1   MET BBB CB  
10   C CG  . MET A 2   ? 0.987 1.020 0.954 0.023  0.066  -0.016 1   MET BBB CG  
11   S SD  . MET A 2   ? 1.050 1.132 1.064 0.020  0.072  -0.044 1   MET BBB SD  
12   C CE  . MET A 2   ? 1.031 1.138 1.032 0.021  0.087  -0.047 1   MET BBB CE  
13   N N   . TYR A 3   ? 0.926 0.914 0.801 0.032  0.069  0.020  2   TYR BBB N   
14   C CA  . TYR A 3   ? 0.912 0.904 0.776 0.048  0.062  0.015  2   TYR BBB CA  
15   C C   . TYR A 3   ? 0.914 0.879 0.765 0.055  0.049  0.022  2   TYR BBB C   
16   O O   . TYR A 3   ? 0.899 0.866 0.755 0.064  0.043  0.015  2   TYR BBB O   
17   C CB  . TYR A 3   ? 0.927 0.936 0.775 0.048  0.072  0.010  2   TYR BBB CB  
18   C CG  . TYR A 3   ? 0.946 0.992 0.821 0.052  0.079  -0.009 2   TYR BBB CG  
19   C CD1 . TYR A 3   ? 0.972 1.023 0.854 0.070  0.066  -0.022 2   TYR BBB CD1 
20   C CD2 . TYR A 3   ? 0.973 1.045 0.870 0.037  0.095  -0.016 2   TYR BBB CD2 
21   C CE1 . TYR A 3   ? 0.981 1.061 0.888 0.079  0.064  -0.044 2   TYR BBB CE1 
22   C CE2 . TYR A 3   ? 0.989 1.102 0.921 0.043  0.097  -0.042 2   TYR BBB CE2 
23   C CZ  . TYR A 3   ? 0.984 1.100 0.920 0.068  0.078  -0.057 2   TYR BBB CZ  
24   O OH  . TYR A 3   ? 1.029 1.181 1.000 0.080  0.072  -0.087 2   TYR BBB OH  
25   N N   . ASP A 4   ? 0.933 0.872 0.770 0.049  0.043  0.033  3   ASP BBB N   
26   C CA  . ASP A 4   ? 0.925 0.841 0.757 0.060  0.024  0.033  3   ASP BBB CA  
27   C C   . ASP A 4   ? 0.880 0.804 0.746 0.064  0.018  0.021  3   ASP BBB C   
28   O O   . ASP A 4   ? 0.849 0.777 0.728 0.073  0.009  0.010  3   ASP BBB O   
29   C CB  . ASP A 4   ? 1.004 0.881 0.802 0.057  0.014  0.048  3   ASP BBB CB  
30   C CG  . ASP A 4   ? 1.064 0.934 0.816 0.052  0.023  0.059  3   ASP BBB CG  
31   O OD1 . ASP A 4   ? 1.061 0.936 0.800 0.065  0.016  0.051  3   ASP BBB OD1 
32   O OD2 . ASP A 4   ? 1.070 0.932 0.802 0.034  0.041  0.072  3   ASP BBB OD2 
33   N N   . ARG A 5   ? 0.862 0.790 0.743 0.058  0.023  0.019  4   ARG BBB N   
34   C CA  . ARG A 5   ? 0.863 0.801 0.770 0.062  0.019  0.005  4   ARG BBB CA  
35   C C   . ARG A 5   ? 0.824 0.785 0.734 0.065  0.029  -0.003 4   ARG BBB C   
36   O O   . ARG A 5   ? 0.847 0.816 0.769 0.068  0.030  -0.015 4   ARG BBB O   
37   C CB  . ARG A 5   ? 0.880 0.813 0.801 0.056  0.017  0.004  4   ARG BBB CB  
38   C CG  . ARG A 5   ? 0.939 0.836 0.856 0.052  0.004  0.013  4   ARG BBB CG  
39   C CD  . ARG A 5   ? 0.954 0.842 0.892 0.045  -0.001 0.008  4   ARG BBB CD  
40   N NE  . ARG A 5   ? 0.928 0.827 0.870 0.028  0.015  0.013  4   ARG BBB NE  
41   C CZ  . ARG A 5   ? 0.901 0.834 0.864 0.029  0.022  -0.001 4   ARG BBB CZ  
42   N NH1 . ARG A 5   ? 0.890 0.842 0.857 0.045  0.018  -0.016 4   ARG BBB NH1 
43   N NH2 . ARG A 5   ? 0.888 0.836 0.866 0.015  0.033  -0.003 4   ARG BBB NH2 
44   N N   . TRP A 6   ? 0.807 0.773 0.703 0.064  0.037  0.002  5   TRP BBB N   
45   C CA  . TRP A 6   ? 0.777 0.748 0.663 0.067  0.042  -0.002 5   TRP BBB CA  
46   C C   . TRP A 6   ? 0.773 0.739 0.651 0.067  0.043  -0.001 5   TRP BBB C   
47   O O   . TRP A 6   ? 0.781 0.740 0.648 0.065  0.048  -0.002 5   TRP BBB O   
48   C CB  . TRP A 6   ? 0.758 0.738 0.643 0.069  0.041  -0.004 5   TRP BBB CB  
49   C CG  . TRP A 6   ? 0.771 0.757 0.667 0.070  0.038  -0.012 5   TRP BBB CG  
50   C CD1 . TRP A 6   ? 0.775 0.768 0.693 0.063  0.037  -0.014 5   TRP BBB CD1 
51   C CD2 . TRP A 6   ? 0.767 0.749 0.650 0.077  0.033  -0.019 5   TRP BBB CD2 
52   N NE1 . TRP A 6   ? 0.787 0.784 0.714 0.068  0.030  -0.026 5   TRP BBB NE1 
53   C CE2 . TRP A 6   ? 0.782 0.774 0.685 0.078  0.027  -0.030 5   TRP BBB CE2 
54   C CE3 . TRP A 6   ? 0.772 0.738 0.623 0.081  0.034  -0.017 5   TRP BBB CE3 
55   C CZ2 . TRP A 6   ? 0.784 0.775 0.674 0.087  0.019  -0.042 5   TRP BBB CZ2 
56   C CZ3 . TRP A 6   ? 0.802 0.760 0.630 0.088  0.029  -0.024 5   TRP BBB CZ3 
57   C CH2 . TRP A 6   ? 0.788 0.761 0.636 0.093  0.021  -0.038 5   TRP BBB CH2 
58   N N   . PHE A 7   ? 0.785 0.750 0.662 0.069  0.039  0.002  6   PHE BBB N   
59   C CA  . PHE A 7   ? 0.782 0.742 0.656 0.070  0.037  -0.001 6   PHE BBB CA  
60   C C   . PHE A 7   ? 0.768 0.727 0.654 0.073  0.028  -0.007 6   PHE BBB C   
61   O O   . PHE A 7   ? 0.804 0.758 0.686 0.076  0.021  -0.003 6   PHE BBB O   
62   C CB  . PHE A 7   ? 0.768 0.728 0.627 0.076  0.035  -0.000 6   PHE BBB CB  
63   C CG  . PHE A 7   ? 0.738 0.699 0.591 0.080  0.036  -0.002 6   PHE BBB CG  
64   C CD1 . PHE A 7   ? 0.724 0.701 0.582 0.081  0.039  -0.004 6   PHE BBB CD1 
65   C CD2 . PHE A 7   ? 0.751 0.695 0.594 0.084  0.031  -0.004 6   PHE BBB CD2 
66   C CE1 . PHE A 7   ? 0.730 0.712 0.590 0.089  0.034  -0.012 6   PHE BBB CE1 
67   C CE2 . PHE A 7   ? 0.766 0.703 0.599 0.094  0.023  -0.008 6   PHE BBB CE2 
68   C CZ  . PHE A 7   ? 0.752 0.712 0.596 0.098  0.023  -0.014 6   PHE BBB CZ  
69   N N   . SER A 8   ? 0.775 0.736 0.676 0.071  0.026  -0.017 7   SER BBB N   
70   C CA  . SER A 8   ? 0.797 0.760 0.715 0.078  0.011  -0.029 7   SER BBB CA  
71   C C   . SER A 8   ? 0.864 0.817 0.754 0.088  -0.000 -0.025 7   SER BBB C   
72   O O   . SER A 8   ? 0.894 0.846 0.765 0.088  0.007  -0.018 7   SER BBB O   
73   C CB  . SER A 8   ? 0.802 0.776 0.754 0.070  0.016  -0.046 7   SER BBB CB  
74   O OG  . SER A 8   ? 0.780 0.743 0.723 0.064  0.020  -0.044 7   SER BBB OG  
75   N N   . GLN A 9   ? 0.901 0.848 0.789 0.100  -0.020 -0.033 8   GLN BBB N   
76   C CA  . GLN A 9   ? 0.952 0.888 0.802 0.111  -0.031 -0.030 8   GLN BBB CA  
77   C C   . GLN A 9   ? 0.929 0.873 0.790 0.112  -0.031 -0.043 8   GLN BBB C   
78   O O   . GLN A 9   ? 0.940 0.884 0.772 0.117  -0.028 -0.040 8   GLN BBB O   
79   C CB  . GLN A 9   ? 1.003 0.922 0.841 0.127  -0.059 -0.037 8   GLN BBB CB  
80   C CG  . GLN A 9   ? 1.050 0.943 0.855 0.126  -0.062 -0.018 8   GLN BBB CG  
81   C CD  . GLN A 9   ? 1.144 1.009 0.937 0.145  -0.097 -0.025 8   GLN BBB CD  
82   O OE1 . GLN A 9   ? 1.205 1.062 1.020 0.148  -0.108 -0.029 8   GLN BBB OE1 
83   N NE2 . GLN A 9   ? 1.176 1.025 0.935 0.161  -0.118 -0.031 8   GLN BBB NE2 
84   N N   . GLN A 10  ? 0.920 0.873 0.825 0.106  -0.032 -0.058 9   GLN BBB N   
85   C CA  . GLN A 10  ? 0.960 0.911 0.880 0.103  -0.032 -0.070 9   GLN BBB CA  
86   C C   . GLN A 10  ? 0.957 0.899 0.857 0.097  -0.018 -0.056 9   GLN BBB C   
87   O O   . GLN A 10  ? 0.961 0.897 0.851 0.105  -0.025 -0.064 9   GLN BBB O   
88   C CB  . GLN A 10  ? 0.997 0.956 0.969 0.088  -0.028 -0.086 9   GLN BBB CB  
89   C CG  . GLN A 10  ? 1.078 1.028 1.070 0.081  -0.032 -0.099 9   GLN BBB CG  
90   C CD  . GLN A 10  ? 1.139 1.100 1.186 0.058  -0.021 -0.116 9   GLN BBB CD  
91   O OE1 . GLN A 10  ? 1.136 1.119 1.211 0.052  -0.013 -0.124 9   GLN BBB OE1 
92   N NE2 . GLN A 10  ? 1.180 1.124 1.245 0.045  -0.020 -0.124 9   GLN BBB NE2 
93   N N   . GLU A 11  ? 0.917 0.858 0.810 0.088  -0.002 -0.042 10  GLU BBB N   
94   C CA  . GLU A 11  ? 0.888 0.820 0.763 0.087  0.006  -0.032 10  GLU BBB CA  
95   C C   . GLU A 11  ? 0.848 0.793 0.700 0.100  0.005  -0.031 10  GLU BBB C   
96   O O   . GLU A 11  ? 0.840 0.783 0.686 0.107  0.002  -0.037 10  GLU BBB O   
97   C CB  . GLU A 11  ? 0.882 0.812 0.755 0.076  0.020  -0.020 10  GLU BBB CB  
98   C CG  . GLU A 11  ? 0.888 0.804 0.774 0.059  0.030  -0.021 10  GLU BBB CG  
99   C CD  . GLU A 11  ? 0.873 0.790 0.750 0.050  0.044  -0.012 10  GLU BBB CD  
100  O OE1 . GLU A 11  ? 0.863 0.796 0.740 0.056  0.044  -0.010 10  GLU BBB OE1 
101  O OE2 . GLU A 11  ? 0.890 0.788 0.758 0.035  0.057  -0.008 10  GLU BBB OE2 
102  N N   . LEU A 12  ? 0.855 0.810 0.695 0.101  0.007  -0.025 11  LEU BBB N   
103  C CA  . LEU A 12  ? 0.905 0.874 0.720 0.105  0.014  -0.023 11  LEU BBB CA  
104  C C   . LEU A 12  ? 0.949 0.924 0.748 0.117  0.006  -0.037 11  LEU BBB C   
105  O O   . LEU A 12  ? 0.950 0.945 0.734 0.120  0.016  -0.043 11  LEU BBB O   
106  C CB  . LEU A 12  ? 0.926 0.889 0.723 0.098  0.017  -0.009 11  LEU BBB CB  
107  C CG  . LEU A 12  ? 0.927 0.890 0.738 0.087  0.027  0.001  11  LEU BBB CG  
108  C CD1 . LEU A 12  ? 0.948 0.892 0.741 0.083  0.023  0.014  11  LEU BBB CD1 
109  C CD2 . LEU A 12  ? 0.920 0.903 0.738 0.083  0.041  -0.000 11  LEU BBB CD2 
110  N N   . GLN A 13  ? 0.979 0.943 0.785 0.124  -0.011 -0.048 12  GLN BBB N   
111  C CA  . GLN A 13  ? 1.051 1.018 0.845 0.139  -0.023 -0.067 12  GLN BBB CA  
112  C C   . GLN A 13  ? 1.044 1.013 0.856 0.145  -0.026 -0.081 12  GLN BBB C   
113  O O   . GLN A 13  ? 1.014 0.996 0.813 0.159  -0.030 -0.099 12  GLN BBB O   
114  C CB  . GLN A 13  ? 1.074 1.029 0.880 0.145  -0.045 -0.079 12  GLN BBB CB  
115  C CG  . GLN A 13  ? 1.121 1.068 0.898 0.151  -0.054 -0.072 12  GLN BBB CG  
116  C CD  . GLN A 13  ? 1.153 1.093 0.958 0.159  -0.080 -0.091 12  GLN BBB CD  
117  O OE1 . GLN A 13  ? 1.147 1.091 0.987 0.160  -0.090 -0.111 12  GLN BBB OE1 
118  N NE2 . GLN A 13  ? 1.187 1.116 0.979 0.164  -0.093 -0.086 12  GLN BBB NE2 
119  N N   . VAL A 14  ? 1.047 0.999 0.882 0.136  -0.025 -0.074 13  VAL BBB N   
120  C CA  . VAL A 14  ? 1.066 0.999 0.913 0.141  -0.035 -0.083 13  VAL BBB CA  
121  C C   . VAL A 14  ? 1.031 0.973 0.873 0.146  -0.029 -0.081 13  VAL BBB C   
122  O O   . VAL A 14  ? 1.093 1.026 0.940 0.160  -0.043 -0.096 13  VAL BBB O   
123  C CB  . VAL A 14  ? 1.110 1.008 0.974 0.125  -0.038 -0.075 13  VAL BBB CB  
124  C CG1 . VAL A 14  ? 1.176 1.035 1.039 0.128  -0.051 -0.078 13  VAL BBB CG1 
125  C CG2 . VAL A 14  ? 1.119 1.016 1.003 0.121  -0.046 -0.086 13  VAL BBB CG2 
126  N N   . LEU A 15  ? 1.110 1.162 0.872 -0.050 -0.084 0.094  14  LEU BBB N   
127  C CA  . LEU A 15  ? 1.071 1.103 0.829 -0.043 -0.075 0.088  14  LEU BBB CA  
128  C C   . LEU A 15  ? 1.043 1.057 0.784 -0.042 -0.074 0.082  14  LEU BBB C   
129  O O   . LEU A 15  ? 1.040 1.054 0.777 -0.036 -0.071 0.084  14  LEU BBB O   
130  C CB  . LEU A 15  ? 1.050 1.086 0.815 -0.032 -0.066 0.094  14  LEU BBB CB  
131  C CG  . LEU A 15  ? 1.036 1.056 0.796 -0.029 -0.058 0.086  14  LEU BBB CG  
132  C CD1 . LEU A 15  ? 1.032 1.052 0.794 -0.030 -0.059 0.083  14  LEU BBB CD1 
133  C CD2 . LEU A 15  ? 1.050 1.066 0.810 -0.021 -0.048 0.090  14  LEU BBB CD2 
134  N N   . PRO A 16  ? 1.033 1.031 0.763 -0.045 -0.073 0.075  15  PRO BBB N   
135  C CA  . PRO A 16  ? 1.034 1.019 0.750 -0.041 -0.070 0.071  15  PRO BBB CA  
136  C C   . PRO A 16  ? 1.009 0.998 0.732 -0.035 -0.062 0.070  15  PRO BBB C   
137  O O   . PRO A 16  ? 0.996 0.978 0.711 -0.033 -0.058 0.070  15  PRO BBB O   
138  C CB  . PRO A 16  ? 1.035 1.006 0.740 -0.040 -0.066 0.067  15  PRO BBB CB  
139  C CG  . PRO A 16  ? 1.045 1.011 0.748 -0.048 -0.070 0.068  15  PRO BBB CG  
140  C CD  . PRO A 16  ? 1.043 1.033 0.769 -0.049 -0.072 0.074  15  PRO BBB CD  
141  N N   . PHE A 17  ? 0.988 0.986 0.724 -0.034 -0.058 0.069  16  PHE BBB N   
142  C CA  . PHE A 17  ? 0.998 0.998 0.740 -0.034 -0.049 0.065  16  PHE BBB CA  
143  C C   . PHE A 17  ? 1.031 1.020 0.767 -0.032 -0.043 0.070  16  PHE BBB C   
144  O O   . PHE A 17  ? 1.048 1.030 0.784 -0.035 -0.033 0.067  16  PHE BBB O   
145  C CB  . PHE A 17  ? 0.976 0.983 0.726 -0.034 -0.048 0.061  16  PHE BBB CB  
146  C CG  . PHE A 17  ? 0.956 0.976 0.709 -0.033 -0.050 0.054  16  PHE BBB CG  
147  C CD1 . PHE A 17  ? 0.956 0.987 0.712 -0.035 -0.047 0.048  16  PHE BBB CD1 
148  C CD2 . PHE A 17  ? 0.943 0.969 0.696 -0.028 -0.053 0.055  16  PHE BBB CD2 
149  C CE1 . PHE A 17  ? 0.946 1.000 0.707 -0.031 -0.049 0.043  16  PHE BBB CE1 
150  C CE2 . PHE A 17  ? 0.934 0.976 0.686 -0.022 -0.055 0.050  16  PHE BBB CE2 
151  C CZ  . PHE A 17  ? 0.942 1.000 0.698 -0.022 -0.054 0.044  16  PHE BBB CZ  
152  N N   . ALA A 18  ? 1.066 1.057 0.799 -0.028 -0.048 0.079  17  ALA BBB N   
153  C CA  . ALA A 18  ? 1.125 1.110 0.849 -0.020 -0.042 0.087  17  ALA BBB CA  
154  C C   . ALA A 18  ? 1.196 1.171 0.906 -0.017 -0.040 0.087  17  ALA BBB C   
155  O O   . ALA A 18  ? 1.235 1.194 0.935 -0.012 -0.026 0.090  17  ALA BBB O   
156  C CB  . ALA A 18  ? 1.111 1.115 0.840 -0.014 -0.050 0.097  17  ALA BBB CB  
157  N N   . GLU A 19  ? 1.235 1.213 0.939 -0.021 -0.051 0.084  18  GLU BBB N   
158  C CA  . GLU A 19  ? 1.287 1.252 0.973 -0.019 -0.050 0.083  18  GLU BBB CA  
159  C C   . GLU A 19  ? 1.280 1.234 0.968 -0.019 -0.036 0.078  18  GLU BBB C   
160  O O   . GLU A 19  ? 1.264 1.226 0.966 -0.025 -0.034 0.072  18  GLU BBB O   
161  C CB  . GLU A 19  ? 1.316 1.280 0.993 -0.025 -0.062 0.078  18  GLU BBB CB  
162  C CG  . GLU A 19  ? 1.373 1.348 1.043 -0.029 -0.077 0.080  18  GLU BBB CG  
163  C CD  . GLU A 19  ? 1.432 1.397 1.089 -0.041 -0.085 0.073  18  GLU BBB CD  
164  O OE1 . GLU A 19  ? 1.397 1.352 1.058 -0.044 -0.080 0.069  18  GLU BBB OE1 
165  O OE2 . GLU A 19  ? 1.498 1.463 1.137 -0.047 -0.096 0.070  18  GLU BBB OE2 
166  N N   . GLN A 20  ? 1.296 1.234 0.969 -0.013 -0.026 0.082  19  GLN BBB N   
167  C CA  . GLN A 20  ? 1.281 1.211 0.955 -0.014 -0.012 0.079  19  GLN BBB CA  
168  C C   . GLN A 20  ? 1.232 1.165 0.901 -0.014 -0.019 0.075  19  GLN BBB C   
169  O O   . GLN A 20  ? 1.204 1.128 0.853 -0.010 -0.029 0.076  19  GLN BBB O   
170  C CB  . GLN A 20  ? 1.345 1.254 0.998 -0.005 0.001  0.085  19  GLN BBB CB  
171  C CG  . GLN A 20  ? 1.379 1.273 1.030 -0.002 0.017  0.090  19  GLN BBB CG  
172  C CD  . GLN A 20  ? 1.417 1.286 1.044 0.010  0.034  0.098  19  GLN BBB CD  
173  O OE1 . GLN A 20  ? 1.440 1.304 1.045 0.021  0.027  0.102  19  GLN BBB OE1 
174  N NE2 . GLN A 20  ? 1.441 1.290 1.067 0.008  0.057  0.100  19  GLN BBB NE2 
175  N N   . ASP A 21  ? 1.102 1.481 0.921 -0.048 0.078  0.145  20  ASP BBB N   
176  C CA  . ASP A 21  ? 1.078 1.445 0.904 -0.071 0.072  0.136  20  ASP BBB CA  
177  C C   . ASP A 21  ? 1.051 1.387 0.871 -0.068 0.072  0.126  20  ASP BBB C   
178  O O   . ASP A 21  ? 1.042 1.358 0.853 -0.063 0.071  0.126  20  ASP BBB O   
179  C CB  . ASP A 21  ? 1.095 1.482 0.929 -0.081 0.069  0.148  20  ASP BBB CB  
180  C CG  . ASP A 21  ? 1.123 1.472 0.936 -0.105 0.054  0.140  20  ASP BBB CG  
181  O OD1 . ASP A 21  ? 1.147 1.457 0.938 -0.094 0.059  0.122  20  ASP BBB OD1 
182  O OD2 . ASP A 21  ? 1.142 1.501 0.951 -0.132 0.035  0.159  20  ASP BBB OD2 
183  N N   . GLU A 22  ? 1.040 1.377 0.861 -0.070 0.073  0.128  21  GLU BBB N   
184  C CA  . GLU A 22  ? 1.044 1.389 0.875 -0.072 0.070  0.143  21  GLU BBB CA  
185  C C   . GLU A 22  ? 1.009 1.354 0.840 -0.068 0.076  0.143  21  GLU BBB C   
186  O O   . GLU A 22  ? 0.992 1.342 0.835 -0.078 0.067  0.159  21  GLU BBB O   
187  C CB  . GLU A 22  ? 1.072 1.451 0.911 -0.065 0.075  0.160  21  GLU BBB CB  
188  C CG  . GLU A 22  ? 1.104 1.529 0.970 -0.074 0.068  0.200  21  GLU BBB CG  
189  C CD  . GLU A 22  ? 1.164 1.561 1.028 -0.110 0.034  0.217  21  GLU BBB CD  
190  O OE1 . GLU A 22  ? 1.195 1.529 1.024 -0.112 0.022  0.194  21  GLU BBB OE1 
191  O OE2 . GLU A 22  ? 1.207 1.639 1.092 -0.133 0.016  0.260  21  GLU BBB OE2 
192  N N   . GLN A 23  ? 0.987 1.312 0.793 -0.057 0.083  0.129  22  GLN BBB N   
193  C CA  . GLN A 23  ? 1.003 1.311 0.793 -0.048 0.088  0.125  22  GLN BBB CA  
194  C C   . GLN A 23  ? 0.947 1.252 0.758 -0.065 0.082  0.120  22  GLN BBB C   
195  O O   . GLN A 23  ? 0.917 1.230 0.739 -0.064 0.083  0.129  22  GLN BBB O   
196  C CB  . GLN A 23  ? 1.082 1.332 0.811 -0.042 0.081  0.110  22  GLN BBB CB  
197  C CG  . GLN A 23  ? 1.142 1.351 0.824 -0.021 0.085  0.106  22  GLN BBB CG  
198  C CD  . GLN A 23  ? 1.218 1.344 0.833 -0.039 0.057  0.093  22  GLN BBB CD  
199  O OE1 . GLN A 23  ? 1.318 1.383 0.871 -0.047 0.035  0.090  22  GLN BBB OE1 
200  N NE2 . GLN A 23  ? 1.200 1.316 0.822 -0.054 0.051  0.091  22  GLN BBB NE2 
201  N N   . ARG A 24  ? 0.911 1.213 0.725 -0.074 0.076  0.115  23  ARG BBB N   
202  C CA  . ARG A 24  ? 0.908 1.208 0.726 -0.072 0.076  0.115  23  ARG BBB CA  
203  C C   . ARG A 24  ? 0.904 1.176 0.709 -0.068 0.068  0.119  23  ARG BBB C   
204  O O   . ARG A 24  ? 0.906 1.156 0.702 -0.068 0.064  0.118  23  ARG BBB O   
205  C CB  . ARG A 24  ? 0.925 1.255 0.747 -0.067 0.078  0.126  23  ARG BBB CB  
206  C CG  . ARG A 24  ? 0.963 1.297 0.775 -0.044 0.085  0.135  23  ARG BBB CG  
207  C CD  . ARG A 24  ? 0.992 1.394 0.817 -0.026 0.094  0.166  23  ARG BBB CD  
208  N NE  . ARG A 24  ? 1.028 1.459 0.855 -0.017 0.097  0.178  23  ARG BBB NE  
209  C CZ  . ARG A 24  ? 1.095 1.485 0.881 0.016  0.102  0.169  23  ARG BBB CZ  
210  N NH1 . ARG A 24  ? 1.154 1.458 0.884 0.034  0.095  0.150  23  ARG BBB NH1 
211  N NH2 . ARG A 24  ? 1.094 1.518 0.886 0.023  0.105  0.183  23  ARG BBB NH2 
212  N N   . ASN A 25  ? 0.909 1.172 0.706 -0.072 0.058  0.126  24  ASN BBB N   
213  C CA  . ASN A 25  ? 0.956 1.165 0.717 -0.082 0.031  0.138  24  ASN BBB CA  
214  C C   . ASN A 25  ? 0.932 1.162 0.719 -0.109 0.019  0.160  24  ASN BBB C   
215  O O   . ASN A 25  ? 0.976 1.152 0.730 -0.125 -0.008 0.170  24  ASN BBB O   
216  C CB  . ASN A 25  ? 1.002 1.193 0.744 -0.088 0.016  0.147  24  ASN BBB CB  
217  C CG  . ASN A 25  ? 1.036 1.205 0.741 -0.054 0.027  0.134  24  ASN BBB CG  
218  O OD1 . ASN A 25  ? 1.054 1.225 0.743 -0.023 0.044  0.127  24  ASN BBB OD1 
219  N ND2 . ASN A 25  ? 1.074 1.240 0.770 -0.055 0.021  0.138  24  ASN BBB ND2 
220  N N   . GLN A 26  ? 0.881 1.181 0.714 -0.107 0.037  0.172  25  GLN BBB N   
221  C CA  . GLN A 26  ? 0.858 1.213 0.722 -0.117 0.035  0.208  25  GLN BBB CA  
222  C C   . GLN A 26  ? 0.820 1.157 0.679 -0.111 0.043  0.194  25  GLN BBB C   
223  O O   . GLN A 26  ? 0.831 1.177 0.700 -0.133 0.023  0.223  25  GLN BBB O   
224  C CB  . GLN A 26  ? 0.856 1.285 0.744 -0.088 0.063  0.226  25  GLN BBB CB  
225  C CG  . GLN A 26  ? 0.872 1.343 0.777 -0.099 0.053  0.258  25  GLN BBB CG  
226  C CD  . GLN A 26  ? 0.901 1.423 0.839 -0.142 0.018  0.323  25  GLN BBB CD  
227  O OE1 . GLN A 26  ? 0.905 1.474 0.868 -0.154 0.011  0.361  25  GLN BBB OE1 
228  N NE2 . GLN A 26  ? 0.933 1.445 0.867 -0.173 -0.011 0.342  25  GLN BBB NE2 
229  N N   . THR A 27  ? 0.787 1.100 0.632 -0.089 0.062  0.158  26  THR BBB N   
230  C CA  . THR A 27  ? 0.781 1.073 0.619 -0.085 0.068  0.143  26  THR BBB CA  
231  C C   . THR A 27  ? 0.800 1.044 0.617 -0.100 0.046  0.143  26  THR BBB C   
232  O O   . THR A 27  ? 0.807 1.046 0.626 -0.110 0.038  0.153  26  THR BBB O   
233  C CB  . THR A 27  ? 0.773 1.049 0.596 -0.074 0.079  0.117  26  THR BBB CB  
234  O OG1 . THR A 27  ? 0.777 1.057 0.584 -0.061 0.087  0.116  26  THR BBB OG1 
235  C CG2 . THR A 27  ? 0.773 1.034 0.591 -0.075 0.081  0.108  26  THR BBB CG2 
236  N N   . TRP A 28  ? 0.830 1.026 0.609 -0.095 0.034  0.135  27  TRP BBB N   
237  C CA  . TRP A 28  ? 0.898 1.007 0.610 -0.091 0.010  0.133  27  TRP BBB CA  
238  C C   . TRP A 28  ? 0.990 1.053 0.675 -0.131 -0.035 0.162  27  TRP BBB C   
239  O O   . TRP A 28  ? 1.052 1.040 0.683 -0.140 -0.062 0.165  27  TRP BBB O   
240  C CB  . TRP A 28  ? 0.917 0.981 0.571 -0.053 0.015  0.121  27  TRP BBB CB  
241  C CG  . TRP A 28  ? 0.861 0.969 0.529 -0.018 0.048  0.112  27  TRP BBB CG  
242  C CD1 . TRP A 28  ? 0.798 0.985 0.513 -0.009 0.071  0.116  27  TRP BBB CD1 
243  C CD2 . TRP A 28  ? 0.868 0.956 0.510 0.005  0.054  0.110  27  TRP BBB CD2 
244  N NE1 . TRP A 28  ? 0.784 1.012 0.509 0.012  0.088  0.125  27  TRP BBB NE1 
245  C CE2 . TRP A 28  ? 0.822 0.993 0.504 0.027  0.083  0.119  27  TRP BBB CE2 
246  C CE3 . TRP A 28  ? 0.925 0.931 0.510 0.005  0.033  0.107  27  TRP BBB CE3 
247  C CZ2 . TRP A 28  ? 0.828 1.019 0.503 0.053  0.097  0.128  27  TRP BBB CZ2 
248  C CZ3 . TRP A 28  ? 0.935 0.945 0.505 0.037  0.050  0.105  27  TRP BBB CZ3 
249  C CH2 . TRP A 28  ? 0.882 0.990 0.501 0.063  0.084  0.117  27  TRP BBB CH2 
250  N N   . LEU A 29  ? 0.739 0.611 0.656 -0.005 0.057  0.096  28  LEU BBB N   
251  C CA  . LEU A 29  ? 0.805 0.661 0.716 -0.026 0.057  0.106  28  LEU BBB CA  
252  C C   . LEU A 29  ? 0.804 0.687 0.734 -0.034 0.062  0.096  28  LEU BBB C   
253  O O   . LEU A 29  ? 0.863 0.732 0.794 -0.045 0.061  0.096  28  LEU BBB O   
254  C CB  . LEU A 29  ? 0.872 0.740 0.768 -0.039 0.059  0.123  28  LEU BBB CB  
255  C CG  . LEU A 29  ? 0.942 0.804 0.822 -0.073 0.059  0.137  28  LEU BBB CG  
256  C CD1 . LEU A 29  ? 1.010 0.797 0.864 -0.081 0.045  0.146  28  LEU BBB CD1 
257  C CD2 . LEU A 29  ? 0.975 0.866 0.835 -0.095 0.060  0.155  28  LEU BBB CD2 
258  N N   . GLU A 30  ? 0.793 0.708 0.737 -0.026 0.063  0.087  29  GLU BBB N   
259  C CA  . GLU A 30  ? 0.768 0.700 0.725 -0.024 0.058  0.074  29  GLU BBB CA  
260  C C   . GLU A 30  ? 0.748 0.652 0.703 -0.025 0.053  0.071  29  GLU BBB C   
261  O O   . GLU A 30  ? 0.753 0.657 0.712 -0.030 0.050  0.067  29  GLU BBB O   
262  C CB  . GLU A 30  ? 0.762 0.720 0.725 -0.009 0.051  0.061  29  GLU BBB CB  
263  C CG  . GLU A 30  ? 0.784 0.740 0.752 0.002  0.035  0.044  29  GLU BBB CG  
264  C CD  . GLU A 30  ? 0.793 0.785 0.771 0.002  0.035  0.034  29  GLU BBB CD  
265  O OE1 . GLU A 30  ? 0.805 0.838 0.787 -0.013 0.049  0.039  29  GLU BBB OE1 
266  O OE2 . GLU A 30  ? 0.822 0.803 0.800 0.013  0.019  0.021  29  GLU BBB OE2 
267  N N   . LEU A 31  ? 0.739 0.632 0.687 -0.023 0.051  0.072  30  LEU BBB N   
268  C CA  . LEU A 31  ? 0.762 0.646 0.704 -0.032 0.046  0.070  30  LEU BBB CA  
269  C C   . LEU A 31  ? 0.777 0.656 0.722 -0.035 0.051  0.069  30  LEU BBB C   
270  O O   . LEU A 31  ? 0.782 0.658 0.727 -0.043 0.046  0.067  30  LEU BBB O   
271  C CB  . LEU A 31  ? 0.747 0.646 0.681 -0.034 0.047  0.068  30  LEU BBB CB  
272  C CG  . LEU A 31  ? 0.749 0.648 0.675 -0.040 0.040  0.068  30  LEU BBB CG  
273  C CD1 . LEU A 31  ? 0.756 0.686 0.676 -0.045 0.044  0.065  30  LEU BBB CD1 
274  C CD2 . LEU A 31  ? 0.781 0.651 0.691 -0.055 0.022  0.071  30  LEU BBB CD2 
275  N N   . VAL A 32  ? 0.823 0.693 0.766 -0.028 0.054  0.070  31  VAL BBB N   
276  C CA  . VAL A 32  ? 0.858 0.709 0.798 -0.028 0.052  0.065  31  VAL BBB CA  
277  C C   . VAL A 32  ? 0.872 0.717 0.817 -0.044 0.054  0.070  31  VAL BBB C   
278  O O   . VAL A 32  ? 0.879 0.722 0.827 -0.050 0.052  0.063  31  VAL BBB O   
279  C CB  . VAL A 32  ? 0.910 0.733 0.837 -0.014 0.045  0.065  31  VAL BBB CB  
280  C CG1 . VAL A 32  ? 0.966 0.750 0.883 -0.015 0.036  0.059  31  VAL BBB CG1 
281  C CG2 . VAL A 32  ? 0.884 0.732 0.810 0.007  0.042  0.051  31  VAL BBB CG2 
282  N N   . GLY A 33  ? 0.876 0.732 0.822 -0.051 0.057  0.078  32  GLY BBB N   
283  C CA  . GLY A 33  ? 0.867 0.743 0.818 -0.067 0.060  0.077  32  GLY BBB CA  
284  C C   . GLY A 33  ? 0.854 0.750 0.817 -0.062 0.056  0.065  32  GLY BBB C   
285  O O   . GLY A 33  ? 0.904 0.807 0.871 -0.073 0.056  0.061  32  GLY BBB O   
286  N N   . GLU A 34  ? 0.839 0.738 0.804 -0.047 0.049  0.062  33  GLU BBB N   
287  C CA  . GLU A 34  ? 0.849 0.749 0.814 -0.041 0.036  0.054  33  GLU BBB CA  
288  C C   . GLU A 34  ? 0.820 0.705 0.778 -0.051 0.036  0.056  33  GLU BBB C   
289  O O   . GLU A 34  ? 0.795 0.687 0.754 -0.052 0.029  0.051  33  GLU BBB O   
290  C CB  . GLU A 34  ? 0.891 0.776 0.846 -0.028 0.021  0.053  33  GLU BBB CB  
291  C CG  . GLU A 34  ? 0.968 0.832 0.909 -0.021 -0.002 0.048  33  GLU BBB CG  
292  C CD  . GLU A 34  ? 0.990 0.879 0.940 -0.003 -0.013 0.030  33  GLU BBB CD  
293  O OE1 . GLU A 34  ? 0.987 0.924 0.957 -0.007 0.003  0.023  33  GLU BBB OE1 
294  O OE2 . GLU A 34  ? 0.997 0.860 0.932 0.014  -0.041 0.023  33  GLU BBB OE2 
295  N N   . ALA A 35  ? 0.827 0.704 0.780 -0.055 0.041  0.060  34  ALA BBB N   
296  C CA  . ALA A 35  ? 0.849 0.732 0.798 -0.062 0.041  0.055  34  ALA BBB CA  
297  C C   . ALA A 35  ? 0.895 0.777 0.854 -0.065 0.045  0.048  34  ALA BBB C   
298  O O   . ALA A 35  ? 0.861 0.755 0.820 -0.071 0.041  0.043  34  ALA BBB O   
299  C CB  . ALA A 35  ? 0.852 0.745 0.799 -0.058 0.045  0.050  34  ALA BBB CB  
300  N N   . GLN A 36  ? 0.951 0.817 0.911 -0.066 0.049  0.049  35  GLN BBB N   
301  C CA  . GLN A 36  ? 0.999 0.852 0.959 -0.079 0.049  0.044  35  GLN BBB CA  
302  C C   . GLN A 36  ? 0.996 0.880 0.965 -0.089 0.050  0.041  35  GLN BBB C   
303  O O   . GLN A 36  ? 1.045 0.935 1.017 -0.097 0.048  0.032  35  GLN BBB O   
304  C CB  . GLN A 36  ? 1.067 0.888 1.014 -0.089 0.048  0.054  35  GLN BBB CB  
305  C CG  . GLN A 36  ? 1.123 0.901 1.055 -0.073 0.039  0.052  35  GLN BBB CG  
306  C CD  . GLN A 36  ? 1.204 0.940 1.113 -0.083 0.033  0.068  35  GLN BBB CD  
307  O OE1 . GLN A 36  ? 1.222 0.978 1.129 -0.105 0.041  0.082  35  GLN BBB OE1 
308  N NE2 . GLN A 36  ? 1.280 0.962 1.167 -0.067 0.017  0.064  35  GLN BBB NE2 
309  N N   . GLN A 37  ? 0.972 0.882 0.947 -0.083 0.050  0.044  36  GLN BBB N   
310  C CA  . GLN A 37  ? 0.990 0.941 0.974 -0.081 0.046  0.033  36  GLN BBB CA  
311  C C   . GLN A 37  ? 0.964 0.912 0.946 -0.073 0.036  0.028  36  GLN BBB C   
312  O O   . GLN A 37  ? 0.984 0.953 0.972 -0.081 0.036  0.019  36  GLN BBB O   
313  C CB  . GLN A 37  ? 1.024 1.000 1.012 -0.064 0.040  0.029  36  GLN BBB CB  
314  C CG  . GLN A 37  ? 1.069 1.095 1.068 -0.049 0.029  0.010  36  GLN BBB CG  
315  C CD  . GLN A 37  ? 1.123 1.215 1.133 -0.069 0.039  -0.001 36  GLN BBB CD  
316  O OE1 . GLN A 37  ? 1.182 1.287 1.190 -0.094 0.052  0.008  36  GLN BBB OE1 
317  N NE2 . GLN A 37  ? 1.122 1.260 1.141 -0.063 0.032  -0.020 36  GLN BBB NE2 
318  N N   . LEU A 38  ? 0.941 0.865 0.911 -0.063 0.026  0.036  37  LEU BBB N   
319  C CA  . LEU A 38  ? 0.934 0.851 0.890 -0.062 0.012  0.038  37  LEU BBB CA  
320  C C   . LEU A 38  ? 0.912 0.841 0.871 -0.077 0.020  0.034  37  LEU BBB C   
321  O O   . LEU A 38  ? 0.951 0.894 0.907 -0.078 0.012  0.029  37  LEU BBB O   
322  C CB  . LEU A 38  ? 0.933 0.819 0.866 -0.064 0.001  0.051  37  LEU BBB CB  
323  C CG  . LEU A 38  ? 0.938 0.801 0.862 -0.047 -0.016 0.052  37  LEU BBB CG  
324  C CD1 . LEU A 38  ? 0.951 0.775 0.844 -0.059 -0.031 0.068  37  LEU BBB CD1 
325  C CD2 . LEU A 38  ? 0.956 0.825 0.880 -0.024 -0.036 0.038  37  LEU BBB CD2 
326  N N   . MET A 39  ? 0.919 0.843 0.882 -0.082 0.031  0.032  38  MET BBB N   
327  C CA  . MET A 39  ? 0.946 0.883 0.913 -0.089 0.035  0.019  38  MET BBB CA  
328  C C   . MET A 39  ? 0.976 0.919 0.954 -0.096 0.037  0.009  38  MET BBB C   
329  O O   . MET A 39  ? 0.984 0.947 0.964 -0.100 0.035  -0.002 38  MET BBB O   
330  C CB  . MET A 39  ? 0.936 0.862 0.902 -0.082 0.039  0.012  38  MET BBB CB  
331  C CG  . MET A 39  ? 0.910 0.855 0.866 -0.081 0.038  0.017  38  MET BBB CG  
332  S SD  . MET A 39  ? 0.944 0.886 0.901 -0.063 0.040  0.004  38  MET BBB SD  
333  C CE  . MET A 39  ? 0.998 0.961 0.961 -0.053 0.034  -0.028 38  MET BBB CE  
334  N N   . GLY A 40  ? 1.017 0.949 0.999 -0.101 0.042  0.011  39  GLY BBB N   
335  C CA  . GLY A 40  ? 1.044 0.994 1.033 -0.119 0.044  0.003  39  GLY BBB CA  
336  C C   . GLY A 40  ? 1.058 1.054 1.055 -0.115 0.039  -0.005 39  GLY BBB C   
337  O O   . GLY A 40  ? 1.080 1.097 1.083 -0.128 0.040  -0.018 39  GLY BBB O   
338  N N   . GLU A 41  ? 1.060 1.067 1.055 -0.095 0.030  -0.001 40  GLU BBB N   
339  C CA  . GLU A 41  ? 1.074 1.113 1.069 -0.080 0.016  -0.010 40  GLU BBB CA  
340  C C   . GLU A 41  ? 1.064 1.091 1.045 -0.081 0.008  -0.005 40  GLU BBB C   
341  O O   . GLU A 41  ? 1.063 1.107 1.037 -0.070 -0.008 -0.010 40  GLU BBB O   
342  C CB  . GLU A 41  ? 1.116 1.147 1.102 -0.053 -0.001 -0.007 40  GLU BBB CB  
343  C CG  . GLU A 41  ? 1.139 1.205 1.139 -0.048 0.004  -0.017 40  GLU BBB CG  
344  C CD  . GLU A 41  ? 1.179 1.236 1.171 -0.014 -0.017 -0.023 40  GLU BBB CD  
345  O OE1 . GLU A 41  ? 1.186 1.207 1.157 0.006  -0.043 -0.021 40  GLU BBB OE1 
346  O OE2 . GLU A 41  ? 1.199 1.280 1.200 -0.010 -0.011 -0.029 40  GLU BBB OE2 
347  N N   . ARG A 42  ? 1.064 1.072 1.040 -0.092 0.016  0.001  41  ARG BBB N   
348  C CA  . ARG A 42  ? 1.116 1.130 1.076 -0.099 0.009  0.005  41  ARG BBB CA  
349  C C   . ARG A 42  ? 1.100 1.093 1.031 -0.094 -0.012 0.024  41  ARG BBB C   
350  O O   . ARG A 42  ? 1.117 1.119 1.029 -0.099 -0.026 0.029  41  ARG BBB O   
351  C CB  . ARG A 42  ? 1.170 1.221 1.139 -0.105 0.009  -0.011 41  ARG BBB CB  
352  C CG  . ARG A 42  ? 1.223 1.280 1.213 -0.113 0.023  -0.030 41  ARG BBB CG  
353  C CD  . ARG A 42  ? 1.282 1.313 1.272 -0.115 0.029  -0.036 41  ARG BBB CD  
354  N NE  . ARG A 42  ? 1.328 1.383 1.319 -0.116 0.028  -0.055 41  ARG BBB NE  
355  C CZ  . ARG A 42  ? 1.346 1.412 1.346 -0.122 0.027  -0.077 41  ARG BBB CZ  
356  N NH1 . ARG A 42  ? 1.359 1.415 1.366 -0.135 0.028  -0.079 41  ARG BBB NH1 
357  N NH2 . ARG A 42  ? 1.348 1.444 1.350 -0.118 0.023  -0.099 41  ARG BBB NH2 
358  N N   . CYS A 43  ? 1.151 1.041 1.202 -0.222 -0.068 -0.084 42  CYS BBB N   
359  C CA  . CYS A 43  ? 1.044 1.005 1.101 -0.187 -0.043 -0.073 42  CYS BBB CA  
360  C C   . CYS A 43  ? 1.002 0.930 0.981 -0.144 -0.044 -0.087 42  CYS BBB C   
361  O O   . CYS A 43  ? 0.999 0.869 0.925 -0.127 -0.032 -0.092 42  CYS BBB O   
362  C CB  . CYS A 43  ? 0.995 0.984 1.077 -0.182 0.001  -0.045 42  CYS BBB CB  
363  S SG  . CYS A 43  ? 0.924 0.978 1.019 -0.140 0.017  -0.038 42  CYS BBB SG  
364  N N   . PRO A 44  ? 0.956 0.926 0.926 -0.124 -0.060 -0.090 43  PRO BBB N   
365  C CA  . PRO A 44  ? 0.970 0.932 0.872 -0.085 -0.054 -0.089 43  PRO BBB CA  
366  C C   . PRO A 44  ? 0.916 0.884 0.822 -0.067 -0.017 -0.062 43  PRO BBB C   
367  O O   . PRO A 44  ? 0.868 0.859 0.825 -0.076 -0.003 -0.047 43  PRO BBB O   
368  C CB  . PRO A 44  ? 0.969 0.984 0.877 -0.076 -0.079 -0.083 43  PRO BBB CB  
369  C CG  . PRO A 44  ? 0.979 1.019 0.948 -0.108 -0.109 -0.097 43  PRO BBB CG  
370  C CD  . PRO A 44  ? 0.938 0.973 0.964 -0.136 -0.084 -0.088 43  PRO BBB CD  
371  N N   . ALA A 45  ? 0.899 0.853 0.750 -0.040 -0.004 -0.058 44  ALA BBB N   
372  C CA  . ALA A 45  ? 0.837 0.797 0.691 -0.025 0.025  -0.033 44  ALA BBB CA  
373  C C   . ALA A 45  ? 0.762 0.766 0.663 -0.025 0.023  -0.003 44  ALA BBB C   
374  O O   . ALA A 45  ? 0.740 0.742 0.665 -0.023 0.037  0.013  44  ALA BBB O   
375  C CB  . ALA A 45  ? 0.871 0.830 0.665 0.007  0.036  -0.034 44  ALA BBB CB  
376  N N   . ASP A 46  ? 0.755 0.789 0.667 -0.027 0.000  0.005  45  ASP BBB N   
377  C CA  . ASP A 46  ? 0.755 0.815 0.709 -0.024 -0.011 0.035  45  ASP BBB CA  
378  C C   . ASP A 46  ? 0.750 0.818 0.763 -0.031 -0.023 0.022  45  ASP BBB C   
379  O O   . ASP A 46  ? 0.736 0.814 0.784 -0.022 -0.041 0.038  45  ASP BBB O   
380  C CB  . ASP A 46  ? 0.800 0.891 0.729 -0.015 -0.030 0.060  45  ASP BBB CB  
381  C CG  . ASP A 46  ? 0.850 0.955 0.763 -0.016 -0.057 0.039  45  ASP BBB CG  
382  O OD1 . ASP A 46  ? 0.876 0.968 0.801 -0.029 -0.061 0.003  45  ASP BBB OD1 
383  O OD2 . ASP A 46  ? 0.892 1.023 0.786 -0.007 -0.077 0.062  45  ASP BBB OD2 
384  N N   . GLU A 47  ? 0.749 0.816 0.775 -0.045 -0.015 -0.004 46  GLU BBB N   
385  C CA  . GLU A 47  ? 0.751 0.850 0.837 -0.048 -0.016 -0.014 46  GLU BBB CA  
386  C C   . GLU A 47  ? 0.673 0.760 0.772 -0.031 -0.001 -0.009 46  GLU BBB C   
387  O O   . GLU A 47  ? 0.661 0.716 0.731 -0.032 0.018  -0.005 46  GLU BBB O   
388  C CB  . GLU A 47  ? 0.815 0.922 0.914 -0.074 -0.007 -0.030 46  GLU BBB CB  
389  C CG  . GLU A 47  ? 0.885 1.058 1.049 -0.083 -0.019 -0.036 46  GLU BBB CG  
390  C CD  . GLU A 47  ? 0.946 1.142 1.118 -0.089 -0.056 -0.042 46  GLU BBB CD  
391  O OE1 . GLU A 47  ? 0.963 1.150 1.109 -0.067 -0.075 -0.034 46  GLU BBB OE1 
392  O OE2 . GLU A 47  ? 0.999 1.223 1.204 -0.117 -0.069 -0.052 46  GLU BBB OE2 
393  N N   . PRO A 48  ? 0.628 0.740 0.769 -0.011 -0.014 -0.014 47  PRO BBB N   
394  C CA  . PRO A 48  ? 0.620 0.715 0.767 0.011  -0.008 -0.020 47  PRO BBB CA  
395  C C   . PRO A 48  ? 0.600 0.690 0.726 0.006  0.025  -0.027 47  PRO BBB C   
396  O O   . PRO A 48  ? 0.640 0.697 0.747 0.017  0.027  -0.026 47  PRO BBB O   
397  C CB  . PRO A 48  ? 0.628 0.762 0.821 0.041  -0.026 -0.037 47  PRO BBB CB  
398  C CG  . PRO A 48  ? 0.633 0.786 0.845 0.035  -0.054 -0.027 47  PRO BBB CG  
399  C CD  . PRO A 48  ? 0.631 0.786 0.814 -0.001 -0.040 -0.019 47  PRO BBB CD  
400  N N   . ARG A 49  ? 0.596 0.721 0.730 -0.013 0.047  -0.031 48  ARG BBB N   
401  C CA  . ARG A 49  ? 0.615 0.736 0.727 -0.021 0.079  -0.027 48  ARG BBB CA  
402  C C   . ARG A 49  ? 0.627 0.683 0.691 -0.034 0.084  -0.018 48  ARG BBB C   
403  O O   . ARG A 49  ? 0.645 0.679 0.683 -0.026 0.100  -0.014 48  ARG BBB O   
404  C CB  . ARG A 49  ? 0.656 0.827 0.799 -0.050 0.095  -0.020 48  ARG BBB CB  
405  C CG  . ARG A 49  ? 0.686 0.948 0.876 -0.031 0.109  -0.025 48  ARG BBB CG  
406  C CD  . ARG A 49  ? 0.713 1.038 0.945 -0.070 0.127  -0.005 48  ARG BBB CD  
407  N NE  . ARG A 49  ? 0.747 1.063 1.007 -0.104 0.099  -0.005 48  ARG BBB NE  
408  C CZ  . ARG A 49  ? 0.787 1.119 1.080 -0.153 0.097  0.011  48  ARG BBB CZ  
409  N NH1 . ARG A 49  ? 0.805 1.166 1.115 -0.180 0.126  0.040  48  ARG BBB NH1 
410  N NH2 . ARG A 49  ? 0.815 1.130 1.124 -0.177 0.061  0.002  48  ARG BBB NH2 
411  N N   . ALA A 50  ? 0.633 0.665 0.682 -0.047 0.070  -0.015 49  ALA BBB N   
412  C CA  . ALA A 50  ? 0.672 0.653 0.674 -0.049 0.076  -0.011 49  ALA BBB CA  
413  C C   . ALA A 50  ? 0.635 0.606 0.628 -0.028 0.073  -0.001 49  ALA BBB C   
414  O O   . ALA A 50  ? 0.649 0.594 0.618 -0.021 0.085  0.003  49  ALA BBB O   
415  C CB  . ALA A 50  ? 0.709 0.680 0.691 -0.058 0.060  -0.017 49  ALA BBB CB  
416  N N   . ILE A 51  ? 0.621 0.611 0.641 -0.019 0.053  0.006  50  ILE BBB N   
417  C CA  . ILE A 51  ? 0.622 0.603 0.652 -0.009 0.040  0.023  50  ILE BBB CA  
418  C C   . ILE A 51  ? 0.628 0.595 0.663 0.005  0.041  0.012  50  ILE BBB C   
419  O O   . ILE A 51  ? 0.611 0.563 0.638 0.008  0.041  0.021  50  ILE BBB O   
420  C CB  . ILE A 51  ? 0.626 0.619 0.687 -0.007 0.010  0.037  50  ILE BBB CB  
421  C CG1 . ILE A 51  ? 0.641 0.652 0.680 -0.016 0.010  0.057  50  ILE BBB CG1 
422  C CG2 . ILE A 51  ? 0.643 0.616 0.733 -0.001 -0.015 0.053  50  ILE BBB CG2 
423  C CD1 . ILE A 51  ? 0.657 0.682 0.719 -0.015 -0.019 0.075  50  ILE BBB CD1 
424  N N   . ALA A 52  ? 0.612 0.593 0.660 0.016  0.041  -0.009 51  ALA BBB N   
425  C CA  . ALA A 52  ? 0.608 0.583 0.647 0.039  0.041  -0.026 51  ALA BBB CA  
426  C C   . ALA A 52  ? 0.615 0.577 0.615 0.033  0.068  -0.020 51  ALA BBB C   
427  O O   . ALA A 52  ? 0.622 0.564 0.608 0.047  0.059  -0.022 51  ALA BBB O   
428  C CB  . ALA A 52  ? 0.625 0.640 0.679 0.058  0.045  -0.048 51  ALA BBB CB  
429  N N   . LEU A 53  ? 0.611 0.580 0.597 0.014  0.093  -0.012 52  LEU BBB N   
430  C CA  . LEU A 53  ? 0.643 0.586 0.591 0.008  0.114  -0.002 52  LEU BBB CA  
431  C C   . LEU A 53  ? 0.641 0.551 0.572 0.015  0.106  0.006  52  LEU BBB C   
432  O O   . LEU A 53  ? 0.646 0.542 0.557 0.029  0.107  0.008  52  LEU BBB O   
433  C CB  . LEU A 53  ? 0.678 0.615 0.623 -0.020 0.128  0.006  52  LEU BBB CB  
434  C CG  . LEU A 53  ? 0.719 0.610 0.627 -0.027 0.141  0.019  52  LEU BBB CG  
435  C CD1 . LEU A 53  ? 0.755 0.661 0.645 -0.017 0.158  0.030  52  LEU BBB CD1 
436  C CD2 . LEU A 53  ? 0.755 0.621 0.666 -0.060 0.141  0.024  52  LEU BBB CD2 
437  N N   . ALA A 54  ? 0.636 0.547 0.576 0.008  0.098  0.011  53  ALA BBB N   
438  C CA  . ALA A 54  ? 0.634 0.539 0.565 0.017  0.097  0.023  53  ALA BBB CA  
439  C C   . ALA A 54  ? 0.635 0.550 0.590 0.028  0.079  0.030  53  ALA BBB C   
440  O O   . ALA A 54  ? 0.666 0.578 0.612 0.039  0.081  0.037  53  ALA BBB O   
441  C CB  . ALA A 54  ? 0.650 0.577 0.587 0.013  0.093  0.031  53  ALA BBB CB  
442  N N   . THR A 55  ? 0.632 0.556 0.621 0.026  0.056  0.026  54  THR BBB N   
443  C CA  . THR A 55  ? 0.626 0.545 0.643 0.032  0.025  0.028  54  THR BBB CA  
444  C C   . THR A 55  ? 0.660 0.562 0.645 0.052  0.026  0.011  54  THR BBB C   
445  O O   . THR A 55  ? 0.668 0.569 0.659 0.057  0.013  0.019  54  THR BBB O   
446  C CB  . THR A 55  ? 0.634 0.545 0.686 0.032  -0.007 0.020  54  THR BBB CB  
447  O OG1 . THR A 55  ? 0.632 0.560 0.706 0.014  -0.008 0.044  54  THR BBB OG1 
448  C CG2 . THR A 55  ? 0.655 0.543 0.739 0.035  -0.052 0.019  54  THR BBB CG2 
449  N N   . ARG A 56  ? 0.674 0.573 0.626 0.063  0.042  -0.009 55  ARG BBB N   
450  C CA  . ARG A 56  ? 0.722 0.614 0.630 0.085  0.048  -0.020 55  ARG BBB CA  
451  C C   . ARG A 56  ? 0.697 0.575 0.578 0.082  0.066  -0.001 55  ARG BBB C   
452  O O   . ARG A 56  ? 0.730 0.599 0.592 0.100  0.053  -0.002 55  ARG BBB O   
453  C CB  . ARG A 56  ? 0.744 0.657 0.626 0.092  0.074  -0.030 55  ARG BBB CB  
454  C CG  . ARG A 56  ? 0.758 0.694 0.662 0.108  0.058  -0.055 55  ARG BBB CG  
455  C CD  . ARG A 56  ? 0.809 0.790 0.685 0.126  0.088  -0.063 55  ARG BBB CD  
456  N NE  . ARG A 56  ? 0.783 0.789 0.659 0.096  0.128  -0.035 55  ARG BBB NE  
457  C CZ  . ARG A 56  ? 0.753 0.784 0.669 0.072  0.137  -0.028 55  ARG BBB CZ  
458  N NH1 . ARG A 56  ? 0.737 0.769 0.692 0.075  0.112  -0.044 55  ARG BBB NH1 
459  N NH2 . ARG A 56  ? 0.775 0.826 0.694 0.043  0.165  -0.004 55  ARG BBB NH2 
460  N N   . TRP A 57  ? 0.684 0.556 0.561 0.066  0.089  0.013  56  TRP BBB N   
461  C CA  . TRP A 57  ? 0.740 0.586 0.589 0.070  0.103  0.027  56  TRP BBB CA  
462  C C   . TRP A 57  ? 0.729 0.587 0.597 0.084  0.085  0.033  56  TRP BBB C   
463  O O   . TRP A 57  ? 0.776 0.623 0.622 0.103  0.081  0.038  56  TRP BBB O   
464  C CB  . TRP A 57  ? 0.746 0.577 0.592 0.052  0.118  0.029  56  TRP BBB CB  
465  C CG  . TRP A 57  ? 0.790 0.579 0.604 0.062  0.125  0.034  56  TRP BBB CG  
466  C CD1 . TRP A 57  ? 0.789 0.581 0.601 0.086  0.121  0.036  56  TRP BBB CD1 
467  C CD2 . TRP A 57  ? 0.828 0.566 0.614 0.048  0.134  0.038  56  TRP BBB CD2 
468  N NE1 . TRP A 57  ? 0.837 0.574 0.612 0.097  0.125  0.034  56  TRP BBB NE1 
469  C CE2 . TRP A 57  ? 0.861 0.555 0.619 0.071  0.129  0.036  56  TRP BBB CE2 
470  C CE3 . TRP A 57  ? 0.853 0.581 0.640 0.018  0.142  0.045  56  TRP BBB CE3 
471  C CZ2 . TRP A 57  ? 0.944 0.563 0.670 0.065  0.125  0.038  56  TRP BBB CZ2 
472  C CZ3 . TRP A 57  ? 0.933 0.598 0.698 0.003  0.140  0.054  56  TRP BBB CZ3 
473  C CH2 . TRP A 57  ? 0.992 0.593 0.724 0.026  0.129  0.049  56  TRP BBB CH2 
474  N N   . MET A 58  ? 0.709 0.600 0.623 0.075  0.075  0.039  57  MET BBB N   
475  C CA  . MET A 58  ? 0.689 0.615 0.639 0.083  0.062  0.056  57  MET BBB CA  
476  C C   . MET A 58  ? 0.689 0.618 0.660 0.088  0.028  0.052  57  MET BBB C   
477  O O   . MET A 58  ? 0.681 0.630 0.665 0.102  0.018  0.062  57  MET BBB O   
478  C CB  . MET A 58  ? 0.637 0.608 0.634 0.065  0.060  0.075  57  MET BBB CB  
479  C CG  . MET A 58  ? 0.634 0.610 0.602 0.069  0.088  0.075  57  MET BBB CG  
480  S SD  . MET A 58  ? 0.706 0.667 0.627 0.105  0.109  0.067  57  MET BBB SD  
481  C CE  . MET A 58  ? 0.693 0.743 0.669 0.121  0.106  0.096  57  MET BBB CE  
482  N N   . GLU A 59  ? 0.697 0.607 0.670 0.083  0.006  0.034  58  GLU BBB N   
483  C CA  . GLU A 59  ? 0.754 0.653 0.730 0.096  -0.035 0.017  58  GLU BBB CA  
484  C C   . GLU A 59  ? 0.763 0.646 0.676 0.123  -0.025 0.010  58  GLU BBB C   
485  O O   . GLU A 59  ? 0.736 0.625 0.656 0.137  -0.057 0.007  58  GLU BBB O   
486  C CB  . GLU A 59  ? 0.805 0.680 0.776 0.100  -0.057 -0.012 58  GLU BBB CB  
487  C CG  . GLU A 59  ? 0.858 0.731 0.896 0.077  -0.092 -0.005 58  GLU BBB CG  
488  C CD  . GLU A 59  ? 0.947 0.785 0.977 0.094  -0.126 -0.043 58  GLU BBB CD  
489  O OE1 . GLU A 59  ? 0.924 0.764 0.924 0.105  -0.098 -0.058 58  GLU BBB OE1 
490  O OE2 . GLU A 59  ? 1.029 0.837 1.085 0.098  -0.184 -0.060 58  GLU BBB OE2 
491  N N   . GLN A 60  ? 0.671 0.637 0.679 0.088  0.027  0.006  59  GLN BBB N   
492  C CA  . GLN A 60  ? 0.675 0.651 0.657 0.085  0.034  -0.007 59  GLN BBB CA  
493  C C   . GLN A 60  ? 0.673 0.640 0.633 0.075  0.030  -0.004 59  GLN BBB C   
494  O O   . GLN A 60  ? 0.691 0.663 0.640 0.075  0.032  -0.010 59  GLN BBB O   
495  C CB  . GLN A 60  ? 0.672 0.671 0.660 0.084  0.037  0.002  59  GLN BBB CB  
496  C CG  . GLN A 60  ? 0.705 0.722 0.680 0.081  0.046  0.004  59  GLN BBB CG  
497  C CD  . GLN A 60  ? 0.724 0.767 0.689 0.089  0.056  -0.012 59  GLN BBB CD  
498  O OE1 . GLN A 60  ? 0.695 0.745 0.679 0.099  0.062  -0.033 59  GLN BBB OE1 
499  N NE2 . GLN A 60  ? 0.771 0.838 0.712 0.084  0.057  -0.005 59  GLN BBB NE2 
500  N N   . LEU A 61  ? 0.660 0.627 0.618 0.068  0.026  0.003  60  LEU BBB N   
501  C CA  . LEU A 61  ? 0.669 0.634 0.620 0.062  0.027  -0.002 60  LEU BBB CA  
502  C C   . LEU A 61  ? 0.675 0.633 0.624 0.062  0.026  -0.002 60  LEU BBB C   
503  O O   . LEU A 61  ? 0.678 0.638 0.629 0.063  0.027  -0.005 60  LEU BBB O   
504  C CB  . LEU A 61  ? 0.682 0.667 0.628 0.052  0.026  -0.006 60  LEU BBB CB  
505  C CG  . LEU A 61  ? 0.706 0.700 0.663 0.044  0.028  -0.024 60  LEU BBB CG  
506  C CD1 . LEU A 61  ? 0.721 0.754 0.666 0.031  0.026  -0.042 60  LEU BBB CD1 
507  C CD2 . LEU A 61  ? 0.707 0.675 0.689 0.047  0.036  -0.032 60  LEU BBB CD2 
508  N N   . GLU A 62  ? 0.733 0.684 0.692 0.062  0.022  0.004  61  GLU BBB N   
509  C CA  . GLU A 62  ? 0.756 0.699 0.730 0.057  0.020  0.002  61  GLU BBB CA  
510  C C   . GLU A 62  ? 0.772 0.718 0.742 0.059  0.019  -0.021 61  GLU BBB C   
511  O O   . GLU A 62  ? 0.768 0.726 0.739 0.053  0.015  -0.025 61  GLU BBB O   
512  C CB  . GLU A 62  ? 0.815 0.743 0.825 0.056  0.018  0.016  61  GLU BBB CB  
513  C CG  . GLU A 62  ? 0.855 0.782 0.892 0.044  0.017  0.035  61  GLU BBB CG  
514  C CD  . GLU A 62  ? 0.882 0.799 0.967 0.044  0.014  0.072  61  GLU BBB CD  
515  O OE1 . GLU A 62  ? 0.914 0.819 1.020 0.057  0.013  0.073  61  GLU BBB OE1 
516  O OE2 . GLU A 62  ? 0.930 0.858 1.041 0.032  0.014  0.106  61  GLU BBB OE2 
517  N N   . GLN A 63  ? 0.778 0.729 0.743 0.066  0.022  -0.034 62  GLN BBB N   
518  C CA  . GLN A 63  ? 0.812 0.793 0.762 0.066  0.021  -0.055 62  GLN BBB CA  
519  C C   . GLN A 63  ? 0.775 0.784 0.705 0.066  0.018  -0.032 62  GLN BBB C   
520  O O   . GLN A 63  ? 0.790 0.831 0.714 0.061  0.011  -0.034 62  GLN BBB O   
521  C CB  . GLN A 63  ? 0.840 0.834 0.790 0.074  0.031  -0.072 62  GLN BBB CB  
522  C CG  . GLN A 63  ? 0.919 0.963 0.851 0.071  0.034  -0.106 62  GLN BBB CG  
523  C CD  . GLN A 63  ? 0.960 1.033 0.889 0.080  0.049  -0.122 62  GLN BBB CD  
524  O OE1 . GLN A 63  ? 1.013 1.081 0.972 0.086  0.058  -0.165 62  GLN BBB OE1 
525  N NE2 . GLN A 63  ? 0.946 1.050 0.854 0.082  0.053  -0.087 62  GLN BBB NE2 
526  N N   . ASP A 64  ? 0.714 0.714 0.646 0.070  0.023  -0.010 63  ASP BBB N   
527  C CA  . ASP A 64  ? 0.735 0.752 0.674 0.073  0.024  0.018  63  ASP BBB CA  
528  C C   . ASP A 64  ? 0.704 0.712 0.666 0.074  0.021  0.026  63  ASP BBB C   
529  O O   . ASP A 64  ? 0.728 0.749 0.716 0.079  0.021  0.053  63  ASP BBB O   
530  C CB  . ASP A 64  ? 0.735 0.741 0.688 0.073  0.031  0.031  63  ASP BBB CB  
531  C CG  . ASP A 64  ? 0.767 0.801 0.706 0.074  0.037  0.029  63  ASP BBB CG  
532  O OD1 . ASP A 64  ? 0.782 0.850 0.698 0.075  0.037  0.014  63  ASP BBB OD1 
533  O OD2 . ASP A 64  ? 0.772 0.801 0.726 0.072  0.043  0.037  63  ASP BBB OD2 
534  N N   . THR A 65  ? 0.670 0.663 0.632 0.070  0.020  0.009  64  THR BBB N   
535  C CA  . THR A 65  ? 0.672 0.671 0.657 0.071  0.021  0.012  64  THR BBB CA  
536  C C   . THR A 65  ? 0.685 0.708 0.668 0.063  0.011  0.007  64  THR BBB C   
537  O O   . THR A 65  ? 0.686 0.722 0.692 0.062  0.012  0.009  64  THR BBB O   
538  C CB  . THR A 65  ? 0.659 0.644 0.647 0.067  0.031  -0.002 64  THR BBB CB  
539  O OG1 . THR A 65  ? 0.645 0.624 0.614 0.058  0.028  -0.005 64  THR BBB OG1 
540  C CG2 . THR A 65  ? 0.652 0.623 0.650 0.070  0.040  -0.010 64  THR BBB CG2 
541  N N   . ALA A 66  ? 0.716 0.749 0.680 0.057  0.003  -0.007 65  ALA BBB N   
542  C CA  . ALA A 66  ? 0.721 0.780 0.690 0.044  -0.008 -0.027 65  ALA BBB CA  
543  C C   . ALA A 66  ? 0.725 0.758 0.721 0.033  -0.005 -0.033 65  ALA BBB C   
544  O O   . ALA A 66  ? 0.746 0.804 0.764 0.022  -0.013 -0.037 65  ALA BBB O   
545  C CB  . ALA A 66  ? 0.745 0.862 0.719 0.044  -0.020 -0.011 65  ALA BBB CB  
546  N N   . GLY A 67  ? 0.728 0.725 0.726 0.035  0.005  -0.026 66  GLY BBB N   
547  C CA  . GLY A 67  ? 0.750 0.734 0.774 0.024  0.009  -0.014 66  GLY BBB CA  
548  C C   . GLY A 67  ? 0.738 0.751 0.772 0.022  0.016  0.001  66  GLY BBB C   
549  O O   . GLY A 67  ? 0.764 0.786 0.825 0.008  0.019  0.014  66  GLY BBB O   
550  N N   . ARG A 68  ? 0.740 0.771 0.765 0.035  0.020  0.001  67  ARG BBB N   
551  C CA  . ARG A 68  ? 0.760 0.823 0.806 0.039  0.031  0.007  67  ARG BBB CA  
552  C C   . ARG A 68  ? 0.744 0.807 0.774 0.043  0.048  0.001  67  ARG BBB C   
553  O O   . ARG A 68  ? 0.715 0.761 0.738 0.055  0.050  -0.010 67  ARG BBB O   
554  C CB  . ARG A 68  ? 0.799 0.883 0.869 0.052  0.025  0.009  67  ARG BBB CB  
555  C CG  . ARG A 68  ? 0.815 0.926 0.893 0.043  0.005  0.012  67  ARG BBB CG  
556  C CD  . ARG A 68  ? 0.888 1.047 1.005 0.054  -0.001 0.029  67  ARG BBB CD  
557  N NE  . ARG A 68  ? 0.941 1.130 1.100 0.051  0.009  0.031  67  ARG BBB NE  
558  C CZ  . ARG A 68  ? 0.961 1.195 1.173 0.065  0.009  0.046  67  ARG BBB CZ  
559  N NH1 . ARG A 68  ? 0.960 1.213 1.195 0.083  -0.002 0.070  67  ARG BBB NH1 
560  N NH2 . ARG A 68  ? 0.961 1.229 1.212 0.061  0.023  0.044  67  ARG BBB NH2 
561  N N   . PRO A 69  ? 0.916 0.762 0.732 -0.021 0.011  -0.019 68  PRO BBB N   
562  C CA  . PRO A 69  ? 0.882 0.739 0.717 -0.010 0.017  -0.014 68  PRO BBB CA  
563  C C   . PRO A 69  ? 0.830 0.732 0.693 -0.002 0.025  -0.010 68  PRO BBB C   
564  O O   . PRO A 69  ? 0.799 0.705 0.674 0.013  0.031  -0.011 68  PRO BBB O   
565  C CB  . PRO A 69  ? 0.913 0.759 0.736 -0.032 0.010  -0.006 68  PRO BBB CB  
566  C CG  . PRO A 69  ? 0.956 0.772 0.754 -0.049 -0.001 -0.009 68  PRO BBB CG  
567  C CD  . PRO A 69  ? 0.946 0.778 0.746 -0.046 -0.000 -0.015 68  PRO BBB CD  
568  N N   . GLU A 70  ? 0.825 0.761 0.703 -0.011 0.022  -0.008 69  GLU BBB N   
569  C CA  . GLU A 70  ? 0.824 0.803 0.736 -0.002 0.027  -0.007 69  GLU BBB CA  
570  C C   . GLU A 70  ? 0.812 0.784 0.723 0.018  0.028  -0.008 69  GLU BBB C   
571  O O   . GLU A 70  ? 0.807 0.801 0.742 0.029  0.033  -0.007 69  GLU BBB O   
572  C CB  . GLU A 70  ? 0.849 0.863 0.790 -0.014 0.017  -0.007 69  GLU BBB CB  
573  C CG  . GLU A 70  ? 0.907 0.908 0.833 -0.019 -0.003 -0.005 69  GLU BBB CG  
574  C CD  . GLU A 70  ? 0.980 0.956 0.877 -0.041 -0.013 -0.006 69  GLU BBB CD  
575  O OE1 . GLU A 70  ? 0.992 0.936 0.862 -0.046 -0.004 -0.008 69  GLU BBB OE1 
576  O OE2 . GLU A 70  ? 1.053 1.036 0.954 -0.053 -0.033 -0.004 69  GLU BBB OE2 
577  N N   . PHE A 71  ? 0.808 0.749 0.689 0.019  0.026  -0.011 70  PHE BBB N   
578  C CA  . PHE A 71  ? 0.784 0.713 0.656 0.032  0.034  -0.013 70  PHE BBB CA  
579  C C   . PHE A 71  ? 0.758 0.682 0.644 0.045  0.048  -0.017 70  PHE BBB C   
580  O O   . PHE A 71  ? 0.752 0.681 0.647 0.055  0.056  -0.016 70  PHE BBB O   
581  C CB  . PHE A 71  ? 0.836 0.731 0.665 0.023  0.034  -0.018 70  PHE BBB CB  
582  C CG  . PHE A 71  ? 0.853 0.745 0.660 0.009  0.012  -0.011 70  PHE BBB CG  
583  C CD1 . PHE A 71  ? 0.834 0.762 0.677 0.009  -0.007 -0.002 70  PHE BBB CD1 
584  C CD2 . PHE A 71  ? 0.925 0.777 0.679 -0.006 0.008  -0.017 70  PHE BBB CD2 
585  C CE1 . PHE A 71  ? 0.877 0.804 0.711 -0.003 -0.034 0.004  70  PHE BBB CE1 
586  C CE2 . PHE A 71  ? 0.968 0.811 0.696 -0.022 -0.019 -0.009 70  PHE BBB CE2 
587  C CZ  . PHE A 71  ? 0.939 0.822 0.712 -0.020 -0.044 0.003  70  PHE BBB CZ  
588  N N   . LEU A 72  ? 0.769 0.681 0.659 0.044  0.048  -0.019 71  LEU BBB N   
589  C CA  . LEU A 72  ? 0.772 0.679 0.682 0.056  0.052  -0.021 71  LEU BBB CA  
590  C C   . LEU A 72  ? 0.732 0.665 0.659 0.059  0.051  -0.015 71  LEU BBB C   
591  O O   . LEU A 72  ? 0.767 0.705 0.710 0.070  0.056  -0.016 71  LEU BBB O   
592  C CB  . LEU A 72  ? 0.789 0.669 0.696 0.053  0.042  -0.022 71  LEU BBB CB  
593  C CG  . LEU A 72  ? 0.775 0.646 0.707 0.065  0.035  -0.022 71  LEU BBB CG  
594  C CD1 . LEU A 72  ? 0.772 0.647 0.736 0.081  0.049  -0.033 71  LEU BBB CD1 
595  C CD2 . LEU A 72  ? 0.826 0.661 0.750 0.061  0.016  -0.018 71  LEU BBB CD2 
596  N N   . THR A 73  ? 0.732 0.680 0.655 0.048  0.048  -0.010 72  THR BBB N   
597  C CA  . THR A 73  ? 0.694 0.664 0.629 0.048  0.053  -0.009 72  THR BBB CA  
598  C C   . THR A 73  ? 0.663 0.650 0.617 0.062  0.057  -0.011 72  THR BBB C   
599  O O   . THR A 73  ? 0.641 0.628 0.603 0.070  0.060  -0.012 72  THR BBB O   
600  C CB  . THR A 73  ? 0.699 0.687 0.633 0.031  0.056  -0.010 72  THR BBB CB  
601  O OG1 . THR A 73  ? 0.733 0.692 0.638 0.016  0.051  -0.006 72  THR BBB OG1 
602  C CG2 . THR A 73  ? 0.694 0.706 0.643 0.031  0.068  -0.015 72  THR BBB CG2 
603  N N   . ARG A 74  ? 0.686 0.679 0.641 0.062  0.052  -0.009 73  ARG BBB N   
604  C CA  . ARG A 74  ? 0.696 0.696 0.661 0.071  0.049  -0.006 73  ARG BBB CA  
605  C C   . ARG A 74  ? 0.684 0.665 0.640 0.079  0.057  -0.007 73  ARG BBB C   
606  O O   . ARG A 74  ? 0.653 0.637 0.622 0.087  0.058  -0.005 73  ARG BBB O   
607  C CB  . ARG A 74  ? 0.732 0.728 0.685 0.065  0.035  -0.002 73  ARG BBB CB  
608  C CG  . ARG A 74  ? 0.735 0.740 0.706 0.073  0.020  0.004  73  ARG BBB CG  
609  C CD  . ARG A 74  ? 0.712 0.756 0.733 0.076  0.015  -0.000 73  ARG BBB CD  
610  N NE  . ARG A 74  ? 0.737 0.794 0.762 0.061  0.008  -0.001 73  ARG BBB NE  
611  C CZ  . ARG A 74  ? 0.762 0.813 0.779 0.053  -0.016 0.005  73  ARG BBB CZ  
612  N NH1 . ARG A 74  ? 0.802 0.831 0.803 0.058  -0.037 0.014  73  ARG BBB NH1 
613  N NH2 . ARG A 74  ? 0.778 0.841 0.800 0.037  -0.021 0.003  73  ARG BBB NH2 
614  N N   . LEU A 75  ? 0.690 0.650 0.630 0.076  0.063  -0.010 74  LEU BBB N   
615  C CA  . LEU A 75  ? 0.718 0.666 0.661 0.080  0.076  -0.014 74  LEU BBB CA  
616  C C   . LEU A 75  ? 0.699 0.656 0.670 0.087  0.076  -0.015 74  LEU BBB C   
617  O O   . LEU A 75  ? 0.723 0.679 0.705 0.091  0.083  -0.016 74  LEU BBB O   
618  C CB  . LEU A 75  ? 0.747 0.676 0.678 0.075  0.086  -0.023 74  LEU BBB CB  
619  C CG  . LEU A 75  ? 0.793 0.702 0.681 0.064  0.088  -0.024 74  LEU BBB CG  
620  C CD1 . LEU A 75  ? 0.839 0.726 0.714 0.060  0.099  -0.038 74  LEU BBB CD1 
621  C CD2 . LEU A 75  ? 0.819 0.716 0.685 0.058  0.097  -0.021 74  LEU BBB CD2 
622  N N   . ASN A 76  ? 0.693 0.651 0.669 0.087  0.067  -0.015 75  ASN BBB N   
623  C CA  . ASN A 76  ? 0.688 0.646 0.678 0.089  0.061  -0.015 75  ASN BBB CA  
624  C C   . ASN A 76  ? 0.666 0.635 0.656 0.091  0.063  -0.014 75  ASN BBB C   
625  O O   . ASN A 76  ? 0.684 0.650 0.687 0.095  0.062  -0.015 75  ASN BBB O   
626  C CB  . ASN A 76  ? 0.720 0.665 0.696 0.082  0.048  -0.013 75  ASN BBB CB  
627  C CG  . ASN A 76  ? 0.773 0.699 0.758 0.084  0.041  -0.015 75  ASN BBB CG  
628  O OD1 . ASN A 76  ? 0.796 0.723 0.807 0.093  0.048  -0.022 75  ASN BBB OD1 
629  N ND2 . ASN A 76  ? 0.791 0.697 0.755 0.075  0.028  -0.010 75  ASN BBB ND2 
630  N N   . GLU A 77  ? 0.656 0.638 0.641 0.090  0.065  -0.013 76  GLU BBB N   
631  C CA  . GLU A 77  ? 0.653 0.646 0.649 0.095  0.068  -0.016 76  GLU BBB CA  
632  C C   . GLU A 77  ? 0.671 0.657 0.674 0.103  0.067  -0.013 76  GLU BBB C   
633  O O   . GLU A 77  ? 0.674 0.655 0.684 0.108  0.068  -0.015 76  GLU BBB O   
634  C CB  . GLU A 77  ? 0.645 0.658 0.650 0.093  0.070  -0.019 76  GLU BBB CB  
635  C CG  . GLU A 77  ? 0.650 0.671 0.645 0.080  0.076  -0.024 76  GLU BBB CG  
636  C CD  . GLU A 77  ? 0.652 0.700 0.667 0.074  0.080  -0.027 76  GLU BBB CD  
637  O OE1 . GLU A 77  ? 0.659 0.717 0.693 0.081  0.069  -0.023 76  GLU BBB OE1 
638  O OE2 . GLU A 77  ? 0.650 0.707 0.660 0.060  0.092  -0.034 76  GLU BBB OE2 
639  N N   . MET A 78  ? 0.690 0.668 0.682 0.101  0.066  -0.007 77  MET BBB N   
640  C CA  . MET A 78  ? 0.697 0.659 0.680 0.101  0.067  -0.002 77  MET BBB CA  
641  C C   . MET A 78  ? 0.688 0.643 0.681 0.099  0.076  -0.004 77  MET BBB C   
642  O O   . MET A 78  ? 0.698 0.643 0.694 0.100  0.075  -0.002 77  MET BBB O   
643  C CB  . MET A 78  ? 0.769 0.716 0.724 0.091  0.069  0.002  77  MET BBB CB  
644  C CG  . MET A 78  ? 0.795 0.741 0.738 0.090  0.051  0.009  77  MET BBB CG  
645  S SD  . MET A 78  ? 0.909 0.825 0.800 0.074  0.051  0.013  77  MET BBB SD  
646  C CE  . MET A 78  ? 0.902 0.783 0.761 0.066  0.053  0.023  77  MET BBB CE  
647  N N   A HIS A 79  ? 0.661 0.621 0.665 0.097  0.082  -0.010 78  HIS BBB N   
648  N N   B HIS A 79  ? 0.691 0.650 0.694 0.097  0.082  -0.010 78  HIS BBB N   
649  C CA  A HIS A 79  ? 0.659 0.619 0.688 0.096  0.087  -0.014 78  HIS BBB CA  
650  C CA  B HIS A 79  ? 0.708 0.667 0.737 0.096  0.087  -0.014 78  HIS BBB CA  
651  C C   A HIS A 79  ? 0.670 0.629 0.708 0.099  0.076  -0.014 78  HIS BBB C   
652  C C   B HIS A 79  ? 0.698 0.657 0.736 0.099  0.076  -0.014 78  HIS BBB C   
653  O O   A HIS A 79  ? 0.671 0.627 0.726 0.096  0.077  -0.015 78  HIS BBB O   
654  O O   B HIS A 79  ? 0.698 0.654 0.752 0.096  0.077  -0.015 78  HIS BBB O   
655  C CB  A HIS A 79  ? 0.643 0.607 0.693 0.097  0.088  -0.021 78  HIS BBB CB  
656  C CB  B HIS A 79  ? 0.729 0.693 0.778 0.097  0.088  -0.021 78  HIS BBB CB  
657  C CG  A HIS A 79  ? 0.641 0.603 0.697 0.092  0.108  -0.029 78  HIS BBB CG  
658  C CG  B HIS A 79  ? 0.746 0.717 0.838 0.097  0.091  -0.027 78  HIS BBB CG  
659  N ND1 A HIS A 79  ? 0.637 0.590 0.667 0.090  0.115  -0.032 78  HIS BBB ND1 
660  N ND1 B HIS A 79  ? 0.768 0.740 0.878 0.097  0.076  -0.026 78  HIS BBB ND1 
661  C CD2 A HIS A 79  ? 0.644 0.611 0.728 0.087  0.127  -0.037 78  HIS BBB CD2 
662  C CD2 B HIS A 79  ? 0.778 0.756 0.904 0.095  0.107  -0.038 78  HIS BBB CD2 
663  C CE1 A HIS A 79  ? 0.664 0.613 0.699 0.084  0.139  -0.043 78  HIS BBB CE1 
664  C CE1 B HIS A 79  ? 0.766 0.748 0.925 0.096  0.079  -0.032 78  HIS BBB CE1 
665  N NE2 A HIS A 79  ? 0.664 0.624 0.735 0.082  0.149  -0.046 78  HIS BBB NE2 
666  N NE2 B HIS A 79  ? 0.787 0.777 0.961 0.096  0.101  -0.041 78  HIS BBB NE2 
667  N N   . ALA A 80  ? 0.678 0.639 0.704 0.101  0.067  -0.015 79  ALA BBB N   
668  C CA  . ALA A 80  ? 0.688 0.642 0.710 0.100  0.060  -0.019 79  ALA BBB CA  
669  C C   . ALA A 80  ? 0.704 0.652 0.726 0.105  0.064  -0.020 79  ALA BBB C   
670  O O   . ALA A 80  ? 0.733 0.668 0.757 0.104  0.061  -0.022 79  ALA BBB O   
671  C CB  . ALA A 80  ? 0.686 0.640 0.687 0.096  0.058  -0.022 79  ALA BBB CB  
672  N N   . ALA A 81  ? 0.696 0.649 0.716 0.111  0.067  -0.016 80  ALA BBB N   
673  C CA  . ALA A 81  ? 0.716 0.659 0.740 0.120  0.064  -0.017 80  ALA BBB CA  
674  C C   . ALA A 81  ? 0.737 0.659 0.755 0.117  0.060  -0.006 80  ALA BBB C   
675  O O   . ALA A 81  ? 0.751 0.655 0.773 0.123  0.053  -0.006 80  ALA BBB O   
676  C CB  . ALA A 81  ? 0.716 0.677 0.751 0.127  0.062  -0.019 80  ALA BBB CB  
677  N N   . GLU A 82  ? 0.757 0.677 0.763 0.107  0.065  0.001  81  GLU BBB N   
678  C CA  . GLU A 82  ? 0.819 0.712 0.802 0.098  0.065  0.012  81  GLU BBB CA  
679  C C   . GLU A 82  ? 0.840 0.728 0.825 0.083  0.081  0.011  81  GLU BBB C   
680  O O   . GLU A 82  ? 0.819 0.720 0.808 0.076  0.096  0.007  81  GLU BBB O   
681  C CB  . GLU A 82  ? 0.841 0.729 0.797 0.093  0.062  0.019  81  GLU BBB CB  
682  C CG  . GLU A 82  ? 0.842 0.740 0.807 0.106  0.043  0.021  81  GLU BBB CG  
683  C CD  . GLU A 82  ? 0.889 0.763 0.857 0.115  0.021  0.029  81  GLU BBB CD  
684  O OE1 . GLU A 82  ? 0.913 0.750 0.855 0.105  0.018  0.039  81  GLU BBB OE1 
685  O OE2 . GLU A 82  ? 0.878 0.769 0.879 0.130  0.008  0.024  81  GLU BBB OE2 
686  N N   . PRO A 83  ? 0.878 0.909 1.058 0.041  0.068  0.025  82  PRO BBB N   
687  C CA  . PRO A 83  ? 0.890 0.924 1.057 0.041  0.071  0.020  82  PRO BBB CA  
688  C C   . PRO A 83  ? 0.917 0.937 1.063 0.039  0.067  0.026  82  PRO BBB C   
689  O O   . PRO A 83  ? 0.916 0.939 1.052 0.038  0.071  0.020  82  PRO BBB O   
690  C CB  . PRO A 83  ? 0.889 0.925 1.076 0.037  0.079  0.015  82  PRO BBB CB  
691  C CG  . PRO A 83  ? 0.876 0.915 1.081 0.039  0.081  0.015  82  PRO BBB CG  
692  C CD  . PRO A 83  ? 0.875 0.908 1.081 0.040  0.073  0.024  82  PRO BBB CD  
693  N N   . GLN A 84  ? 0.951 0.954 1.091 0.040  0.057  0.036  83  GLN BBB N   
694  C CA  . GLN A 84  ? 1.013 0.993 1.121 0.042  0.050  0.043  83  GLN BBB CA  
695  C C   . GLN A 84  ? 1.012 0.997 1.107 0.040  0.047  0.041  83  GLN BBB C   
696  O O   . GLN A 84  ? 1.054 1.022 1.120 0.039  0.050  0.044  83  GLN BBB O   
697  C CB  . GLN A 84  ? 1.066 1.031 1.170 0.050  0.032  0.050  83  GLN BBB CB  
698  C CG  . GLN A 84  ? 1.147 1.076 1.203 0.059  0.023  0.057  83  GLN BBB CG  
699  C CD  . GLN A 84  ? 1.194 1.109 1.242 0.075  -0.003 0.059  83  GLN BBB CD  
700  O OE1 . GLN A 84  ? 1.161 1.080 1.233 0.082  -0.008 0.059  83  GLN BBB OE1 
701  N NE2 . GLN A 84  ? 1.240 1.140 1.258 0.084  -0.024 0.057  83  GLN BBB NE2 
702  N N   . MET A 85  ? 0.973 0.973 1.085 0.040  0.045  0.037  84  MET BBB N   
703  C CA  . MET A 85  ? 0.962 0.960 1.059 0.039  0.047  0.036  84  MET BBB CA  
704  C C   . MET A 85  ? 0.964 0.965 1.044 0.042  0.056  0.033  84  MET BBB C   
705  O O   . MET A 85  ? 0.949 0.943 1.010 0.042  0.057  0.033  84  MET BBB O   
706  C CB  . MET A 85  ? 0.957 0.959 1.074 0.038  0.053  0.031  84  MET BBB CB  
707  C CG  . MET A 85  ? 0.959 0.950 1.063 0.036  0.060  0.029  84  MET BBB CG  
708  S SD  . MET A 85  ? 0.964 0.954 1.083 0.030  0.042  0.023  84  MET BBB SD  
709  C CE  . MET A 85  ? 1.014 0.988 1.112 0.026  0.058  0.020  84  MET BBB CE  
710  N N   . ARG A 86  ? 0.982 0.998 1.074 0.047  0.062  0.026  85  ARG BBB N   
711  C CA  . ARG A 86  ? 1.031 1.058 1.117 0.055  0.065  0.014  85  ARG BBB CA  
712  C C   . ARG A 86  ? 1.062 1.091 1.154 0.049  0.070  0.009  85  ARG BBB C   
713  O O   . ARG A 86  ? 1.083 1.118 1.171 0.053  0.071  0.000  85  ARG BBB O   
714  C CB  . ARG A 86  ? 1.038 1.082 1.138 0.064  0.064  0.003  85  ARG BBB CB  
715  C CG  . ARG A 86  ? 1.054 1.083 1.138 0.071  0.067  0.009  85  ARG BBB CG  
716  C CD  . ARG A 86  ? 1.077 1.110 1.151 0.087  0.066  -0.003 85  ARG BBB CD  
717  N NE  . ARG A 86  ? 1.066 1.113 1.169 0.080  0.067  -0.010 85  ARG BBB NE  
718  C CZ  . ARG A 86  ? 1.069 1.106 1.184 0.072  0.075  -0.001 85  ARG BBB CZ  
719  N NH1 . ARG A 86  ? 1.074 1.091 1.184 0.068  0.084  0.010  85  ARG BBB NH1 
720  N NH2 . ARG A 86  ? 1.030 1.078 1.170 0.067  0.077  -0.008 85  ARG BBB NH2 
721  N N   . GLU A 87  ? 1.087 1.104 1.186 0.039  0.075  0.014  86  GLU BBB N   
722  C CA  . GLU A 87  ? 1.141 1.140 1.235 0.032  0.091  0.011  86  GLU BBB CA  
723  C C   . GLU A 87  ? 1.113 1.087 1.172 0.031  0.089  0.021  86  GLU BBB C   
724  O O   . GLU A 87  ? 1.124 1.097 1.183 0.029  0.102  0.012  86  GLU BBB O   
725  C CB  . GLU A 87  ? 1.227 1.201 1.318 0.027  0.099  0.019  86  GLU BBB CB  
726  C CG  . GLU A 87  ? 1.317 1.257 1.394 0.020  0.126  0.017  86  GLU BBB CG  
727  C CD  . GLU A 87  ? 1.356 1.316 1.475 0.012  0.149  -0.009 86  GLU BBB CD  
728  O OE1 . GLU A 87  ? 1.366 1.362 1.528 0.012  0.146  -0.026 86  GLU BBB OE1 
729  O OE2 . GLU A 87  ? 1.398 1.338 1.511 0.006  0.170  -0.015 86  GLU BBB OE2 
730  N N   . GLN A 88  ? 1.089 1.048 1.125 0.033  0.075  0.035  87  GLN BBB N   
731  C CA  . GLN A 88  ? 1.113 1.047 1.113 0.034  0.069  0.042  87  GLN BBB CA  
732  C C   . GLN A 88  ? 1.072 1.018 1.071 0.034  0.072  0.036  87  GLN BBB C   
733  O O   . GLN A 88  ? 1.087 1.013 1.062 0.031  0.081  0.037  87  GLN BBB O   
734  C CB  . GLN A 88  ? 1.165 1.097 1.163 0.037  0.047  0.047  87  GLN BBB CB  
735  C CG  . GLN A 88  ? 1.241 1.151 1.206 0.039  0.034  0.049  87  GLN BBB CG  
736  C CD  . GLN A 88  ? 1.306 1.228 1.291 0.042  0.011  0.044  87  GLN BBB CD  
737  O OE1 . GLN A 88  ? 1.322 1.268 1.340 0.037  0.013  0.037  87  GLN BBB OE1 
738  N NE2 . GLN A 88  ? 1.352 1.255 1.317 0.053  -0.010 0.044  87  GLN BBB NE2 
739  N N   . THR A 89  ? 0.981 0.952 0.999 0.039  0.069  0.032  88  THR BBB N   
740  C CA  . THR A 89  ? 0.930 0.903 0.937 0.045  0.071  0.030  88  THR BBB CA  
741  C C   . THR A 89  ? 0.910 0.902 0.929 0.055  0.076  0.017  88  THR BBB C   
742  O O   . THR A 89  ? 0.928 0.916 0.934 0.060  0.080  0.014  88  THR BBB O   
743  C CB  . THR A 89  ? 0.919 0.891 0.925 0.049  0.068  0.033  88  THR BBB CB  
744  O OG1 . THR A 89  ? 0.874 0.860 0.893 0.058  0.069  0.028  88  THR BBB OG1 
745  C CG2 . THR A 89  ? 0.911 0.875 0.924 0.040  0.061  0.036  88  THR BBB CG2 
746  N N   . GLY A 90  ? 1.636 0.630 0.825 -0.079 0.196  -0.020 89  GLY BBB N   
747  C CA  . GLY A 90  ? 1.628 0.637 0.847 -0.114 0.191  -0.015 89  GLY BBB CA  
748  C C   . GLY A 90  ? 1.570 0.633 0.838 -0.098 0.187  -0.019 89  GLY BBB C   
749  O O   . GLY A 90  ? 1.544 0.630 0.847 -0.129 0.178  -0.010 89  GLY BBB O   
750  N N   . VAL A 91  ? 1.524 0.614 0.801 -0.056 0.190  -0.026 90  VAL BBB N   
751  C CA  . VAL A 91  ? 1.467 0.607 0.785 -0.036 0.189  -0.029 90  VAL BBB CA  
752  C C   . VAL A 91  ? 1.558 0.618 0.796 -0.016 0.178  -0.031 90  VAL BBB C   
753  O O   . VAL A 91  ? 1.586 0.588 0.758 0.023  0.183  -0.028 90  VAL BBB O   
754  C CB  . VAL A 91  ? 1.392 0.594 0.752 -0.002 0.195  -0.024 90  VAL BBB CB  
755  C CG1 . VAL A 91  ? 1.352 0.607 0.754 0.019  0.194  -0.024 90  VAL BBB CG1 
756  C CG2 . VAL A 91  ? 1.359 0.599 0.757 -0.024 0.204  -0.023 90  VAL BBB CG2 
757  N N   . THR A 92  ? 1.588 0.634 0.821 -0.041 0.164  -0.033 91  THR BBB N   
758  C CA  . THR A 92  ? 1.717 0.654 0.842 -0.030 0.151  -0.036 91  THR BBB CA  
759  C C   . THR A 92  ? 1.670 0.646 0.820 0.008  0.162  -0.039 91  THR BBB C   
760  O O   . THR A 92  ? 1.561 0.650 0.818 0.005  0.168  -0.038 91  THR BBB O   
761  C CB  . THR A 92  ? 1.795 0.671 0.879 -0.096 0.117  -0.029 91  THR BBB CB  
762  O OG1 . THR A 92  ? 1.712 0.689 0.903 -0.129 0.109  -0.020 91  THR BBB OG1 
763  C CG2 . THR A 92  ? 1.830 0.677 0.898 -0.138 0.107  -0.019 91  THR BBB CG2 
764  N N   . PRO A 93  ? 1.774 0.648 0.815 0.046  0.168  -0.041 92  PRO BBB N   
765  C CA  . PRO A 93  ? 1.746 0.652 0.804 0.084  0.183  -0.040 92  PRO BBB CA  
766  C C   . PRO A 93  ? 1.684 0.637 0.798 0.034  0.159  -0.044 92  PRO BBB C   
767  O O   . PRO A 93  ? 1.598 0.640 0.788 0.053  0.170  -0.043 92  PRO BBB O   
768  C CB  . PRO A 93  ? 1.922 0.665 0.814 0.129  0.198  -0.039 92  PRO BBB CB  
769  C CG  . PRO A 93  ? 2.041 0.648 0.815 0.087  0.172  -0.045 92  PRO BBB CG  
770  C CD  . PRO A 93  ? 1.933 0.641 0.814 0.058  0.166  -0.042 92  PRO BBB CD  
771  N N   . GLU A 94  ? 1.751 0.648 0.828 -0.031 0.123  -0.043 93  GLU BBB N   
772  C CA  . GLU A 94  ? 1.711 0.664 0.856 -0.086 0.094  -0.035 93  GLU BBB CA  
773  C C   . GLU A 94  ? 1.523 0.641 0.833 -0.089 0.111  -0.031 93  GLU BBB C   
774  O O   . GLU A 94  ? 1.448 0.638 0.829 -0.093 0.108  -0.029 93  GLU BBB O   
775  C CB  . GLU A 94  ? 1.827 0.711 0.925 -0.162 0.049  -0.018 93  GLU BBB CB  
776  C CG  . GLU A 94  ? 2.047 0.735 0.950 -0.176 0.021  -0.021 93  GLU BBB CG  
777  C CD  . GLU A 94  ? 2.187 0.750 0.964 -0.151 0.033  -0.029 93  GLU BBB CD  
778  O OE1 . GLU A 94  ? 2.124 0.753 0.970 -0.149 0.048  -0.027 93  GLU BBB OE1 
779  O OE2 . GLU A 94  ? 2.409 0.792 1.003 -0.133 0.029  -0.037 93  GLU BBB OE2 
780  N N   . MET A 95  ? 1.447 0.604 0.798 -0.085 0.127  -0.029 94  MET BBB N   
781  C CA  . MET A 95  ? 1.323 0.599 0.794 -0.087 0.147  -0.025 94  MET BBB CA  
782  C C   . MET A 95  ? 1.232 0.568 0.742 -0.042 0.166  -0.034 94  MET BBB C   
783  O O   . MET A 95  ? 1.120 0.534 0.708 -0.047 0.171  -0.032 94  MET BBB O   
784  C CB  . MET A 95  ? 1.322 0.590 0.789 -0.091 0.160  -0.022 94  MET BBB CB  
785  C CG  . MET A 95  ? 1.249 0.601 0.807 -0.102 0.182  -0.013 94  MET BBB CG  
786  S SD  . MET A 95  ? 1.271 0.592 0.802 -0.109 0.201  -0.009 94  MET BBB SD  
787  C CE  . MET A 95  ? 1.323 0.608 0.841 -0.162 0.181  0.016  94  MET BBB CE  
788  N N   . ILE A 96  ? 1.275 0.576 0.732 0.002  0.175  -0.038 95  ILE BBB N   
789  C CA  . ILE A 96  ? 1.226 0.593 0.726 0.042  0.189  -0.033 95  ILE BBB CA  
790  C C   . ILE A 96  ? 1.201 0.594 0.723 0.043  0.184  -0.036 95  ILE BBB C   
791  O O   . ILE A 96  ? 1.121 0.595 0.715 0.047  0.188  -0.033 95  ILE BBB O   
792  C CB  . ILE A 96  ? 1.283 0.614 0.730 0.093  0.202  -0.021 95  ILE BBB CB  
793  C CG1 . ILE A 96  ? 1.287 0.616 0.732 0.088  0.201  -0.015 95  ILE BBB CG1 
794  C CG2 . ILE A 96  ? 1.244 0.647 0.738 0.133  0.214  -0.003 95  ILE BBB CG2 
795  C CD1 . ILE A 96  ? 1.367 0.663 0.767 0.138  0.213  0.005  95  ILE BBB CD1 
796  N N   . ASP A 97  ? 1.300 0.611 0.749 0.034  0.173  -0.041 96  ASP BBB N   
797  C CA  . ASP A 97  ? 1.282 0.594 0.729 0.032  0.165  -0.043 96  ASP BBB CA  
798  C C   . ASP A 97  ? 1.179 0.573 0.723 -0.012 0.150  -0.041 96  ASP BBB C   
799  O O   . ASP A 97  ? 1.133 0.589 0.731 -0.004 0.153  -0.041 96  ASP BBB O   
800  C CB  . ASP A 97  ? 1.466 0.639 0.781 0.025  0.151  -0.046 96  ASP BBB CB  
801  C CG  . ASP A 97  ? 1.520 0.679 0.815 0.027  0.144  -0.048 96  ASP BBB CG  
802  O OD1 . ASP A 97  ? 1.514 0.704 0.818 0.079  0.173  -0.046 96  ASP BBB OD1 
803  O OD2 . ASP A 97  ? 1.556 0.685 0.838 -0.026 0.109  -0.046 96  ASP BBB OD2 
804  N N   . PHE A 98  ? 1.164 0.560 0.732 -0.055 0.137  -0.033 97  PHE BBB N   
805  C CA  . PHE A 98  ? 1.089 0.567 0.756 -0.089 0.133  -0.019 97  PHE BBB CA  
806  C C   . PHE A 98  ? 0.971 0.531 0.711 -0.063 0.160  -0.024 97  PHE BBB C   
807  O O   . PHE A 98  ? 0.905 0.521 0.702 -0.063 0.161  -0.021 97  PHE BBB O   
808  C CB  . PHE A 98  ? 1.144 0.617 0.828 -0.130 0.124  0.001  97  PHE BBB CB  
809  C CG  . PHE A 98  ? 1.104 0.670 0.900 -0.149 0.136  0.026  97  PHE BBB CG  
810  C CD1 . PHE A 98  ? 1.107 0.715 0.958 -0.176 0.114  0.049  97  PHE BBB CD1 
811  C CD2 . PHE A 98  ? 1.063 0.671 0.905 -0.136 0.172  0.031  97  PHE BBB CD2 
812  C CE1 . PHE A 98  ? 1.049 0.750 1.011 -0.184 0.132  0.081  97  PHE BBB CE1 
813  C CE2 . PHE A 98  ? 1.028 0.710 0.963 -0.142 0.195  0.060  97  PHE BBB CE2 
814  C CZ  . PHE A 98  ? 1.021 0.757 1.023 -0.162 0.177  0.087  97  PHE BBB CZ  
815  N N   . ILE A 99  ? 0.956 0.511 0.681 -0.043 0.177  -0.030 98  ILE BBB N   
816  C CA  . ILE A 99  ? 0.904 0.507 0.665 -0.028 0.194  -0.032 98  ILE BBB CA  
817  C C   . ILE A 99  ? 0.858 0.495 0.631 -0.006 0.189  -0.035 98  ILE BBB C   
818  O O   . ILE A 99  ? 0.823 0.504 0.637 -0.008 0.193  -0.034 98  ILE BBB O   
819  C CB  . ILE A 99  ? 0.926 0.499 0.650 -0.021 0.203  -0.033 98  ILE BBB CB  
820  C CG1 . ILE A 99  ? 0.955 0.503 0.676 -0.044 0.215  -0.027 98  ILE BBB CG1 
821  C CG2 . ILE A 99  ? 0.906 0.505 0.639 -0.013 0.207  -0.031 98  ILE BBB CG2 
822  C CD1 . ILE A 99  ? 0.933 0.518 0.706 -0.054 0.239  -0.017 98  ILE BBB CD1 
823  N N   . THR A 100 ? 0.896 0.505 0.627 0.018  0.184  -0.035 99  THR BBB N   
824  C CA  . THR A 100 ? 0.879 0.525 0.623 0.044  0.185  -0.029 99  THR BBB CA  
825  C C   . THR A 100 ? 0.828 0.502 0.608 0.029  0.178  -0.034 99  THR BBB C   
826  O O   . THR A 100 ? 0.777 0.507 0.601 0.032  0.178  -0.029 99  THR BBB O   
827  C CB  . THR A 100 ? 0.958 0.555 0.639 0.083  0.194  -0.022 99  THR BBB CB  
828  O OG1 . THR A 100 ? 1.023 0.605 0.683 0.099  0.200  -0.011 99  THR BBB OG1 
829  C CG2 . THR A 100 ? 0.956 0.597 0.656 0.116  0.204  -0.006 99  THR BBB CG2 
830  N N   . ARG A 101 ? 0.858 0.493 0.620 0.006  0.166  -0.038 100 ARG BBB N   
831  C CA  . ARG A 101 ? 0.840 0.499 0.636 -0.014 0.153  -0.037 100 ARG BBB CA  
832  C C   . ARG A 101 ? 0.774 0.500 0.651 -0.030 0.160  -0.031 100 ARG BBB C   
833  O O   . ARG A 101 ? 0.735 0.502 0.649 -0.027 0.159  -0.030 100 ARG BBB O   
834  C CB  . ARG A 101 ? 0.925 0.515 0.669 -0.043 0.128  -0.033 100 ARG BBB CB  
835  C CG  . ARG A 101 ? 1.032 0.526 0.665 -0.021 0.126  -0.040 100 ARG BBB CG  
836  C CD  . ARG A 101 ? 1.136 0.531 0.685 -0.060 0.092  -0.036 100 ARG BBB CD  
837  N NE  . ARG A 101 ? 1.209 0.551 0.721 -0.087 0.079  -0.030 100 ARG BBB NE  
838  C CZ  . ARG A 101 ? 1.195 0.570 0.763 -0.139 0.055  -0.010 100 ARG BBB CZ  
839  N NH1 . ARG A 101 ? 1.127 0.590 0.797 -0.165 0.042  0.009  100 ARG BBB NH1 
840  N NH2 . ARG A 101 ? 1.246 0.568 0.772 -0.163 0.044  -0.002 100 ARG BBB NH2 
841  N N   . ALA A 102 ? 0.760 0.486 0.653 -0.041 0.171  -0.025 101 ALA BBB N   
842  C CA  . ALA A 102 ? 0.716 0.485 0.666 -0.045 0.192  -0.015 101 ALA BBB CA  
843  C C   . ALA A 102 ? 0.692 0.470 0.631 -0.026 0.202  -0.025 101 ALA BBB C   
844  O O   . ALA A 102 ? 0.670 0.470 0.638 -0.024 0.213  -0.021 101 ALA BBB O   
845  C CB  . ALA A 102 ? 0.739 0.493 0.692 -0.054 0.211  -0.004 101 ALA BBB CB  
846  N N   . PHE A 103 ? 0.694 0.453 0.591 -0.015 0.197  -0.032 102 PHE BBB N   
847  C CA  . PHE A 103 ? 0.703 0.470 0.586 -0.010 0.194  -0.030 102 PHE BBB CA  
848  C C   . PHE A 103 ? 0.667 0.476 0.578 -0.006 0.182  -0.028 102 PHE BBB C   
849  O O   . PHE A 103 ? 0.710 0.525 0.623 -0.012 0.181  -0.026 102 PHE BBB O   
850  C CB  . PHE A 103 ? 0.724 0.479 0.573 -0.003 0.184  -0.023 102 PHE BBB CB  
851  C CG  . PHE A 103 ? 0.747 0.505 0.578 -0.013 0.170  -0.010 102 PHE BBB CG  
852  C CD1 . PHE A 103 ? 0.786 0.497 0.579 -0.031 0.176  -0.014 102 PHE BBB CD1 
853  C CD2 . PHE A 103 ? 0.744 0.545 0.588 -0.006 0.150  0.012  102 PHE BBB CD2 
854  C CE1 . PHE A 103 ? 0.831 0.518 0.580 -0.051 0.154  -0.000 102 PHE BBB CE1 
855  C CE2 . PHE A 103 ? 0.766 0.572 0.595 -0.028 0.125  0.035  102 PHE BBB CE2 
856  C CZ  . PHE A 103 ? 0.817 0.556 0.588 -0.056 0.122  0.026  102 PHE BBB CZ  
857  N N   . ALA A 104 ? 0.686 0.506 0.603 0.005  0.175  -0.029 103 ALA BBB N   
858  C CA  . ALA A 104 ? 0.653 0.505 0.590 0.011  0.167  -0.027 103 ALA BBB CA  
859  C C   . ALA A 104 ? 0.639 0.504 0.610 -0.005 0.168  -0.030 103 ALA BBB C   
860  O O   . ALA A 104 ? 0.631 0.520 0.617 -0.006 0.164  -0.028 103 ALA BBB O   
861  C CB  . ALA A 104 ? 0.679 0.507 0.586 0.026  0.165  -0.028 103 ALA BBB CB  
862  N N   . GLU A 105 ? 0.665 0.518 0.653 -0.016 0.173  -0.029 104 GLU BBB N   
863  C CA  . GLU A 105 ? 0.654 0.531 0.691 -0.025 0.179  -0.019 104 GLU BBB CA  
864  C C   . GLU A 105 ? 0.666 0.536 0.698 -0.016 0.201  -0.019 104 GLU BBB C   
865  O O   . GLU A 105 ? 0.690 0.575 0.746 -0.013 0.206  -0.013 104 GLU BBB O   
866  C CB  . GLU A 105 ? 0.671 0.551 0.741 -0.040 0.181  -0.002 104 GLU BBB CB  
867  C CG  . GLU A 105 ? 0.713 0.576 0.768 -0.061 0.149  0.001  104 GLU BBB CG  
868  C CD  . GLU A 105 ? 0.700 0.574 0.765 -0.070 0.125  0.005  104 GLU BBB CD  
869  O OE1 . GLU A 105 ? 0.673 0.587 0.783 -0.063 0.133  0.010  104 GLU BBB OE1 
870  O OE2 . GLU A 105 ? 0.800 0.627 0.813 -0.085 0.099  0.002  104 GLU BBB OE2 
871  N N   . SER A 106 ? 0.696 0.529 0.684 -0.014 0.212  -0.023 105 SER BBB N   
872  C CA  . SER A 106 ? 0.732 0.520 0.676 -0.010 0.232  -0.022 105 SER BBB CA  
873  C C   . SER A 106 ? 0.709 0.496 0.628 -0.016 0.210  -0.026 105 SER BBB C   
874  O O   . SER A 106 ? 0.767 0.516 0.655 -0.014 0.223  -0.024 105 SER BBB O   
875  C CB  . SER A 106 ? 0.790 0.523 0.674 -0.013 0.242  -0.025 105 SER BBB CB  
876  O OG  . SER A 106 ? 0.822 0.553 0.673 -0.024 0.212  -0.027 105 SER BBB OG  
877  N N   . LYS A 107 ? 0.670 0.494 0.599 -0.022 0.182  -0.025 106 LYS BBB N   
878  C CA  . LYS A 107 ? 0.684 0.527 0.606 -0.032 0.159  -0.018 106 LYS BBB CA  
879  C C   . LYS A 107 ? 0.622 0.497 0.585 -0.027 0.159  -0.021 106 LYS BBB C   
880  O O   . LYS A 107 ? 0.615 0.475 0.559 -0.034 0.154  -0.019 106 LYS BBB O   
881  C CB  . LYS A 107 ? 0.678 0.566 0.612 -0.032 0.137  -0.004 106 LYS BBB CB  
882  C CG  . LYS A 107 ? 0.724 0.590 0.627 -0.038 0.132  0.006  106 LYS BBB CG  
883  C CD  . LYS A 107 ? 0.778 0.576 0.612 -0.064 0.122  0.010  106 LYS BBB CD  
884  C CE  . LYS A 107 ? 0.836 0.609 0.635 -0.074 0.110  0.022  106 LYS BBB CE  
885  N NZ  . LYS A 107 ? 0.932 0.600 0.637 -0.094 0.115  0.015  106 LYS BBB NZ  
886  N N   . LEU A 108 ? 0.594 0.502 0.600 -0.018 0.161  -0.024 107 LEU BBB N   
887  C CA  . LEU A 108 ? 0.569 0.503 0.610 -0.017 0.155  -0.024 107 LEU BBB CA  
888  C C   . LEU A 108 ? 0.600 0.522 0.659 -0.015 0.172  -0.020 107 LEU BBB C   
889  O O   . LEU A 108 ? 0.591 0.525 0.663 -0.015 0.165  -0.017 107 LEU BBB O   
890  C CB  . LEU A 108 ? 0.568 0.508 0.624 -0.016 0.147  -0.025 107 LEU BBB CB  
891  C CG  . LEU A 108 ? 0.558 0.496 0.583 -0.006 0.141  -0.027 107 LEU BBB CG  
892  C CD1 . LEU A 108 ? 0.585 0.485 0.583 -0.007 0.136  -0.030 107 LEU BBB CD1 
893  C CD2 . LEU A 108 ? 0.562 0.524 0.587 0.000  0.133  -0.023 107 LEU BBB CD2 
894  N N   . ALA A 109 ? 0.620 0.515 0.675 -0.008 0.198  -0.014 108 ALA BBB N   
895  C CA  . ALA A 109 ? 0.635 0.518 0.707 0.008  0.228  0.000  108 ALA BBB CA  
896  C C   . ALA A 109 ? 0.702 0.527 0.707 0.012  0.234  -0.006 108 ALA BBB C   
897  O O   . ALA A 109 ? 0.747 0.564 0.762 0.027  0.250  0.005  108 ALA BBB O   
898  C CB  . ALA A 109 ? 0.644 0.511 0.724 0.020  0.262  0.014  108 ALA BBB CB  
899  N N   . ILE A 110 ? 0.737 0.516 0.669 -0.003 0.219  -0.017 109 ILE BBB N   
900  C CA  . ILE A 110 ? 0.798 0.503 0.641 -0.014 0.210  -0.018 109 ILE BBB CA  
901  C C   . ILE A 110 ? 0.711 0.466 0.584 -0.029 0.177  -0.018 109 ILE BBB C   
902  O O   . ILE A 110 ? 0.744 0.466 0.590 -0.027 0.180  -0.016 109 ILE BBB O   
903  C CB  . ILE A 110 ? 0.874 0.515 0.631 -0.038 0.194  -0.020 109 ILE BBB CB  
904  C CG1 . ILE A 110 ? 0.962 0.529 0.666 -0.020 0.234  -0.021 109 ILE BBB CG1 
905  C CG2 . ILE A 110 ? 0.953 0.520 0.615 -0.066 0.165  -0.015 109 ILE BBB CG2 
906  C CD1 . ILE A 110 ? 1.031 0.550 0.667 -0.045 0.213  -0.022 109 ILE BBB CD1 
907  N N   . TRP A 111 ? 0.671 0.499 0.593 -0.040 0.150  -0.017 110 TRP BBB N   
908  C CA  . TRP A 111 ? 0.637 0.514 0.584 -0.051 0.124  -0.011 110 TRP BBB CA  
909  C C   . TRP A 111 ? 0.617 0.513 0.605 -0.039 0.132  -0.014 110 TRP BBB C   
910  O O   . TRP A 111 ? 0.615 0.519 0.597 -0.049 0.115  -0.011 110 TRP BBB O   
911  C CB  . TRP A 111 ? 0.586 0.529 0.573 -0.050 0.111  -0.005 110 TRP BBB CB  
912  C CG  . TRP A 111 ? 0.620 0.568 0.582 -0.066 0.093  0.013  110 TRP BBB CG  
913  C CD1 . TRP A 111 ? 0.665 0.582 0.578 -0.097 0.067  0.031  110 TRP BBB CD1 
914  C CD2 . TRP A 111 ? 0.589 0.575 0.574 -0.055 0.093  0.024  110 TRP BBB CD2 
915  N NE1 . TRP A 111 ? 0.678 0.626 0.595 -0.110 0.048  0.056  110 TRP BBB NE1 
916  C CE2 . TRP A 111 ? 0.627 0.620 0.591 -0.079 0.068  0.053  110 TRP BBB CE2 
917  C CE3 . TRP A 111 ? 0.571 0.577 0.582 -0.029 0.111  0.016  110 TRP BBB CE3 
918  C CZ2 . TRP A 111 ? 0.634 0.670 0.622 -0.071 0.064  0.077  110 TRP BBB CZ2 
919  C CZ3 . TRP A 111 ? 0.586 0.615 0.602 -0.017 0.111  0.034  110 TRP BBB CZ3 
920  C CH2 . TRP A 111 ? 0.603 0.656 0.617 -0.035 0.091  0.066  110 TRP BBB CH2 
921  N N   . ALA A 112 ? 0.615 0.521 0.646 -0.021 0.154  -0.015 111 ALA BBB N   
922  C CA  . ALA A 112 ? 0.593 0.527 0.677 -0.012 0.157  -0.007 111 ALA BBB CA  
923  C C   . ALA A 112 ? 0.629 0.518 0.680 -0.002 0.169  -0.002 111 ALA BBB C   
924  O O   . ALA A 112 ? 0.662 0.577 0.749 0.001  0.163  0.006  111 ALA BBB O   
925  C CB  . ALA A 112 ? 0.593 0.549 0.732 -0.001 0.175  0.007  111 ALA BBB CB  
926  N N   . ARG A 113 ? 0.676 0.487 0.646 0.000  0.185  -0.005 112 ARG BBB N   
927  C CA  . ARG A 113 ? 0.769 0.498 0.668 0.011  0.201  -0.001 112 ARG BBB CA  
928  C C   . ARG A 113 ? 0.753 0.455 0.590 -0.023 0.161  -0.007 112 ARG BBB C   
929  O O   . ARG A 113 ? 0.822 0.440 0.581 -0.021 0.167  -0.005 112 ARG BBB O   
930  C CB  . ARG A 113 ? 0.906 0.529 0.715 0.031  0.241  0.000  112 ARG BBB CB  
931  C CG  . ARG A 113 ? 0.938 0.591 0.813 0.069  0.289  0.018  112 ARG BBB CG  
932  C CD  . ARG A 113 ? 1.094 0.631 0.871 0.100  0.343  0.024  112 ARG BBB CD  
933  N NE  . ARG A 113 ? 1.124 0.642 0.871 0.086  0.343  0.015  112 ARG BBB NE  
934  C CZ  . ARG A 113 ? 1.269 0.672 0.881 0.066  0.333  0.001  112 ARG BBB CZ  
935  N NH1 . ARG A 113 ? 1.371 0.660 0.857 0.051  0.319  -0.005 112 ARG BBB NH1 
936  N NH2 . ARG A 113 ? 1.271 0.667 0.867 0.055  0.332  -0.005 112 ARG BBB NH2 
937  N N   . TYR A 114 ? 0.702 0.466 0.567 -0.051 0.126  -0.008 113 TYR BBB N   
938  C CA  . TYR A 114 ? 0.714 0.473 0.536 -0.088 0.086  0.000  113 TYR BBB CA  
939  C C   . TYR A 114 ? 0.623 0.482 0.524 -0.093 0.066  0.006  113 TYR BBB C   
940  O O   . TYR A 114 ? 0.661 0.526 0.543 -0.117 0.040  0.018  113 TYR BBB O   
941  C CB  . TYR A 114 ? 0.758 0.491 0.528 -0.117 0.064  0.010  113 TYR BBB CB  
942  C CG  . TYR A 114 ? 0.868 0.469 0.523 -0.118 0.081  0.005  113 TYR BBB CG  
943  C CD1 . TYR A 114 ? 0.996 0.480 0.528 -0.145 0.062  0.011  113 TYR BBB CD1 
944  C CD2 . TYR A 114 ? 0.888 0.465 0.544 -0.089 0.118  -0.005 113 TYR BBB CD2 
945  C CE1 . TYR A 114 ? 1.143 0.472 0.536 -0.143 0.081  0.005  113 TYR BBB CE1 
946  C CE2 . TYR A 114 ? 1.029 0.468 0.564 -0.083 0.142  -0.009 113 TYR BBB CE2 
947  C CZ  . TYR A 114 ? 1.149 0.456 0.544 -0.108 0.126  -0.005 113 TYR BBB CZ  
948  O OH  . TYR A 114 ? 1.353 0.496 0.599 -0.099 0.153  -0.008 113 TYR BBB OH  
949  N N   . LEU A 115 ? 0.573 0.495 0.546 -0.073 0.078  -0.000 114 LEU BBB N   
950  C CA  . LEU A 115 ? 0.517 0.507 0.538 -0.071 0.067  0.004  114 LEU BBB CA  
951  C C   . LEU A 115 ? 0.502 0.496 0.555 -0.059 0.072  -0.003 114 LEU BBB C   
952  O O   . LEU A 115 ? 0.505 0.480 0.575 -0.045 0.089  -0.006 114 LEU BBB O   
953  C CB  . LEU A 115 ? 0.485 0.513 0.533 -0.059 0.075  0.004  114 LEU BBB CB  
954  C CG  . LEU A 115 ? 0.506 0.543 0.537 -0.069 0.068  0.019  114 LEU BBB CG  
955  C CD1 . LEU A 115 ? 0.499 0.564 0.553 -0.048 0.082  0.020  114 LEU BBB CD1 
956  C CD2 . LEU A 115 ? 0.513 0.584 0.540 -0.093 0.044  0.048  114 LEU BBB CD2 
957  N N   . ASN A 116 ? 0.479 0.503 0.546 -0.063 0.058  0.000  115 ASN BBB N   
958  C CA  . ASN A 116 ? 0.482 0.511 0.577 -0.058 0.054  -0.002 115 ASN BBB CA  
959  C C   . ASN A 116 ? 0.481 0.519 0.592 -0.052 0.056  -0.006 115 ASN BBB C   
960  O O   . ASN A 116 ? 0.513 0.554 0.611 -0.046 0.065  -0.008 115 ASN BBB O   
961  C CB  . ASN A 116 ? 0.470 0.509 0.555 -0.068 0.038  0.002  115 ASN BBB CB  
962  C CG  . ASN A 116 ? 0.452 0.520 0.525 -0.067 0.037  0.008  115 ASN BBB CG  
963  O OD1 . ASN A 116 ? 0.459 0.528 0.528 -0.054 0.048  0.006  115 ASN BBB OD1 
964  N ND2 . ASN A 116 ? 0.468 0.553 0.530 -0.078 0.029  0.021  115 ASN BBB ND2 
965  N N   . ALA A 117 ? 0.498 0.532 0.631 -0.056 0.044  -0.002 116 ALA BBB N   
966  C CA  . ALA A 117 ? 0.495 0.516 0.628 -0.062 0.036  -0.000 116 ALA BBB CA  
967  C C   . ALA A 117 ? 0.505 0.501 0.578 -0.056 0.038  -0.010 116 ALA BBB C   
968  O O   . ALA A 117 ? 0.534 0.507 0.584 -0.052 0.043  -0.013 116 ALA BBB O   
969  C CB  . ALA A 117 ? 0.516 0.537 0.677 -0.079 0.009  0.016  116 ALA BBB CB  
970  N N   . GLU A 118 ? 0.498 0.493 0.543 -0.053 0.037  -0.009 117 GLU BBB N   
971  C CA  . GLU A 118 ? 0.558 0.526 0.541 -0.035 0.052  -0.009 117 GLU BBB CA  
972  C C   . GLU A 118 ? 0.553 0.551 0.544 -0.014 0.078  -0.004 117 GLU BBB C   
973  O O   . GLU A 118 ? 0.606 0.570 0.555 0.005  0.094  -0.004 117 GLU BBB O   
974  C CB  . GLU A 118 ? 0.588 0.560 0.551 -0.033 0.052  -0.003 117 GLU BBB CB  
975  C CG  . GLU A 118 ? 0.670 0.596 0.557 -0.008 0.076  0.003  117 GLU BBB CG  
976  C CD  . GLU A 118 ? 0.703 0.633 0.567 -0.003 0.082  0.014  117 GLU BBB CD  
977  O OE1 . GLU A 118 ? 0.755 0.628 0.573 -0.019 0.061  0.006  117 GLU BBB OE1 
978  O OE2 . GLU A 118 ? 0.713 0.707 0.609 0.013  0.103  0.035  117 GLU BBB OE2 
979  N N   . GLU A 119 ? 0.506 0.557 0.541 -0.020 0.078  0.005  118 GLU BBB N   
980  C CA  . GLU A 119 ? 0.506 0.593 0.554 -0.010 0.092  0.019  118 GLU BBB CA  
981  C C   . GLU A 119 ? 0.514 0.575 0.558 -0.005 0.098  0.007  118 GLU BBB C   
982  O O   . GLU A 119 ? 0.523 0.589 0.555 0.015  0.114  0.017  118 GLU BBB O   
983  C CB  . GLU A 119 ? 0.505 0.626 0.578 -0.032 0.077  0.032  118 GLU BBB CB  
984  C CG  . GLU A 119 ? 0.495 0.650 0.573 -0.041 0.069  0.052  118 GLU BBB CG  
985  C CD  . GLU A 119 ? 0.511 0.665 0.588 -0.075 0.045  0.059  118 GLU BBB CD  
986  O OE1 . GLU A 119 ? 0.528 0.633 0.588 -0.083 0.039  0.039  118 GLU BBB OE1 
987  O OE2 . GLU A 119 ? 0.492 0.687 0.577 -0.091 0.032  0.090  118 GLU BBB OE2 
988  N N   . LEU A 120 ? 0.499 0.537 0.557 -0.020 0.088  -0.007 119 LEU BBB N   
989  C CA  . LEU A 120 ? 0.504 0.522 0.564 -0.018 0.094  -0.015 119 LEU BBB CA  
990  C C   . LEU A 120 ? 0.563 0.538 0.581 -0.010 0.095  -0.019 119 LEU BBB C   
991  O O   . LEU A 120 ? 0.582 0.542 0.584 -0.000 0.106  -0.020 119 LEU BBB O   
992  C CB  . LEU A 120 ? 0.486 0.500 0.580 -0.031 0.090  -0.017 119 LEU BBB CB  
993  C CG  . LEU A 120 ? 0.496 0.497 0.599 -0.030 0.101  -0.018 119 LEU BBB CG  
994  C CD1 . LEU A 120 ? 0.499 0.498 0.587 -0.025 0.115  -0.019 119 LEU BBB CD1 
995  C CD2 . LEU A 120 ? 0.494 0.502 0.643 -0.037 0.102  -0.006 119 LEU BBB CD2 
996  N N   . ALA A 121 ? 0.608 0.550 0.596 -0.017 0.082  -0.021 120 ALA BBB N   
997  C CA  . ALA A 121 ? 0.670 0.534 0.582 -0.016 0.077  -0.024 120 ALA BBB CA  
998  C C   . ALA A 121 ? 0.702 0.544 0.558 0.023  0.110  -0.020 120 ALA BBB C   
999  O O   . ALA A 121 ? 0.749 0.528 0.545 0.034  0.119  -0.024 120 ALA BBB O   
1000 C CB  . ALA A 121 ? 0.720 0.539 0.594 -0.036 0.052  -0.023 120 ALA BBB CB  
1001 N N   . PHE A 122 ? 0.562 0.608 0.478 0.004  0.002  -0.045 121 PHE BBB N   
1002 C CA  . PHE A 122 ? 0.562 0.609 0.499 -0.008 0.022  -0.044 121 PHE BBB CA  
1003 C C   . PHE A 122 ? 0.538 0.615 0.524 -0.014 0.018  -0.045 121 PHE BBB C   
1004 O O   . PHE A 122 ? 0.530 0.615 0.532 -0.013 0.023  -0.049 121 PHE BBB O   
1005 C CB  . PHE A 122 ? 0.591 0.618 0.515 -0.018 0.039  -0.033 121 PHE BBB CB  
1006 C CG  . PHE A 122 ? 0.603 0.655 0.558 -0.026 0.064  -0.030 121 PHE BBB CG  
1007 C CD1 . PHE A 122 ? 0.559 0.648 0.569 -0.034 0.064  -0.027 121 PHE BBB CD1 
1008 C CD2 . PHE A 122 ? 0.646 0.688 0.571 -0.019 0.086  -0.031 121 PHE BBB CD2 
1009 C CE1 . PHE A 122 ? 0.572 0.700 0.619 -0.034 0.086  -0.023 121 PHE BBB CE1 
1010 C CE2 . PHE A 122 ? 0.656 0.733 0.612 -0.016 0.113  -0.027 121 PHE BBB CE2 
1011 C CZ  . PHE A 122 ? 0.615 0.742 0.638 -0.022 0.113  -0.023 121 PHE BBB CZ  
1012 N N   . THR A 123 ? 0.513 0.594 0.507 -0.014 0.008  -0.041 122 THR BBB N   
1013 C CA  . THR A 123 ? 0.500 0.599 0.528 -0.019 0.002  -0.041 122 THR BBB CA  
1014 C C   . THR A 123 ? 0.508 0.626 0.545 -0.017 -0.005 -0.045 122 THR BBB C   
1015 O O   . THR A 123 ? 0.487 0.608 0.543 -0.022 -0.006 -0.045 122 THR BBB O   
1016 C CB  . THR A 123 ? 0.494 0.576 0.509 -0.017 -0.009 -0.038 122 THR BBB CB  
1017 O OG1 . THR A 123 ? 0.515 0.573 0.521 -0.031 -0.005 -0.031 122 THR BBB OG1 
1018 C CG2 . THR A 123 ? 0.472 0.565 0.507 -0.020 -0.018 -0.038 122 THR BBB CG2 
1019 N N   A ARG A 124 ? 0.534 0.665 0.557 -0.013 -0.012 -0.046 123 ARG BBB N   
1020 N N   B ARG A 124 ? 0.506 0.637 0.529 -0.013 -0.012 -0.046 123 ARG BBB N   
1021 C CA  A ARG A 124 ? 0.551 0.706 0.584 -0.024 -0.020 -0.046 123 ARG BBB CA  
1022 C CA  B ARG A 124 ? 0.504 0.659 0.537 -0.024 -0.020 -0.046 123 ARG BBB CA  
1023 C C   A ARG A 124 ? 0.571 0.696 0.593 -0.035 -0.020 -0.051 123 ARG BBB C   
1024 C C   B ARG A 124 ? 0.531 0.657 0.554 -0.035 -0.020 -0.051 123 ARG BBB C   
1025 O O   A ARG A 124 ? 0.600 0.717 0.625 -0.047 -0.025 -0.049 123 ARG BBB O   
1026 O O   B ARG A 124 ? 0.560 0.677 0.585 -0.047 -0.025 -0.049 123 ARG BBB O   
1027 C CB  A ARG A 124 ? 0.579 0.770 0.609 -0.021 -0.029 -0.044 123 ARG BBB CB  
1028 C CB  B ARG A 124 ? 0.507 0.698 0.536 -0.021 -0.030 -0.044 123 ARG BBB CB  
1029 C CG  A ARG A 124 ? 0.608 0.827 0.649 -0.045 -0.041 -0.041 123 ARG BBB CG  
1030 C CG  B ARG A 124 ? 0.509 0.730 0.552 -0.046 -0.040 -0.041 123 ARG BBB CG  
1031 C CD  A ARG A 124 ? 0.629 0.916 0.688 -0.043 -0.051 -0.036 123 ARG BBB CD  
1032 C CD  B ARG A 124 ? 0.508 0.790 0.564 -0.045 -0.053 -0.036 123 ARG BBB CD  
1033 N NE  A ARG A 124 ? 0.639 0.985 0.726 -0.041 -0.043 -0.026 123 ARG BBB NE  
1034 N NE  B ARG A 124 ? 0.494 0.836 0.573 -0.026 -0.045 -0.030 123 ARG BBB NE  
1035 C CZ  A ARG A 124 ? 0.647 1.020 0.735 -0.006 -0.034 -0.026 123 ARG BBB CZ  
1036 C CZ  B ARG A 124 ? 0.466 0.845 0.566 -0.040 -0.037 -0.021 123 ARG BBB CZ  
1037 N NH1 A ARG A 124 ? 0.668 1.008 0.729 0.025  -0.036 -0.033 123 ARG BBB NH1 
1038 N NH1 B ARG A 124 ? 0.462 0.893 0.574 -0.014 -0.026 -0.016 123 ARG BBB NH1 
1039 N NH2 A ARG A 124 ? 0.637 1.064 0.743 -0.002 -0.023 -0.017 123 ARG BBB NH2 
1040 N NH2 B ARG A 124 ? 0.464 0.820 0.563 -0.077 -0.040 -0.016 123 ARG BBB NH2 
1041 N N   A GLN A 125 ? 0.588 0.688 0.588 -0.027 -0.013 -0.056 124 GLN BBB N   
1042 N N   B GLN A 125 ? 0.557 0.658 0.557 -0.027 -0.013 -0.056 124 GLN BBB N   
1043 C CA  A GLN A 125 ? 0.630 0.690 0.601 -0.027 -0.011 -0.063 124 GLN BBB CA  
1044 C CA  B GLN A 125 ? 0.606 0.667 0.578 -0.027 -0.011 -0.063 124 GLN BBB CA  
1045 C C   A GLN A 125 ? 0.629 0.679 0.616 -0.017 0.000  -0.064 124 GLN BBB C   
1046 C C   B GLN A 125 ? 0.615 0.665 0.602 -0.017 0.000  -0.064 124 GLN BBB C   
1047 O O   A GLN A 125 ? 0.696 0.710 0.661 -0.015 -0.006 -0.069 124 GLN BBB O   
1048 O O   B GLN A 125 ? 0.682 0.696 0.647 -0.015 -0.006 -0.069 124 GLN BBB O   
1049 C CB  A GLN A 125 ? 0.677 0.715 0.611 -0.017 -0.003 -0.067 124 GLN BBB CB  
1050 C CB  B GLN A 125 ? 0.650 0.688 0.584 -0.017 -0.003 -0.068 124 GLN BBB CB  
1051 C CG  A GLN A 125 ? 0.743 0.732 0.634 -0.006 0.005  -0.077 124 GLN BBB CG  
1052 C CG  B GLN A 125 ? 0.713 0.702 0.605 -0.006 0.006  -0.077 124 GLN BBB CG  
1053 C CD  A GLN A 125 ? 0.798 0.756 0.635 0.002  0.010  -0.081 124 GLN BBB CD  
1054 C CD  B GLN A 125 ? 0.765 0.710 0.618 -0.018 -0.017 -0.085 124 GLN BBB CD  
1055 O OE1 A GLN A 125 ? 0.859 0.773 0.648 0.017  0.022  -0.089 124 GLN BBB OE1 
1056 O OE1 B GLN A 125 ? 0.816 0.709 0.630 -0.004 -0.013 -0.094 124 GLN BBB OE1 
1057 N NE2 A GLN A 125 ? 0.789 0.764 0.624 -0.004 -0.000 -0.076 124 GLN BBB NE2 
1058 N NE2 B GLN A 125 ? 0.752 0.717 0.613 -0.044 -0.043 -0.081 124 GLN BBB NE2 
1059 N N   . HIS A 126 ? 0.581 0.658 0.602 -0.010 0.013  -0.059 125 HIS BBB N   
1060 C CA  . HIS A 126 ? 0.575 0.662 0.622 0.005  0.025  -0.058 125 HIS BBB CA  
1061 C C   . HIS A 126 ? 0.537 0.640 0.617 0.001  0.011  -0.053 125 HIS BBB C   
1062 O O   . HIS A 126 ? 0.544 0.664 0.652 0.015  0.014  -0.051 125 HIS BBB O   
1063 C CB  . HIS A 126 ? 0.564 0.676 0.626 0.008  0.047  -0.053 125 HIS BBB CB  
1064 C CG  . HIS A 126 ? 0.623 0.710 0.640 0.018  0.064  -0.058 125 HIS BBB CG  
1065 N ND1 . HIS A 126 ? 0.660 0.724 0.651 0.042  0.075  -0.067 125 HIS BBB ND1 
1066 C CD2 . HIS A 126 ? 0.638 0.707 0.619 0.011  0.069  -0.056 125 HIS BBB CD2 
1067 C CE1 . HIS A 126 ? 0.718 0.753 0.658 0.047  0.088  -0.071 125 HIS BBB CE1 
1068 N NE2 . HIS A 126 ? 0.689 0.728 0.624 0.027  0.084  -0.063 125 HIS BBB NE2 
1069 N N   . TYR A 127 ? 0.569 0.623 0.665 -0.006 0.028  -0.062 126 TYR BBB N   
1070 C CA  . TYR A 127 ? 0.597 0.649 0.680 -0.022 0.032  -0.053 126 TYR BBB CA  
1071 C C   . TYR A 127 ? 0.627 0.635 0.694 -0.040 0.017  -0.040 126 TYR BBB C   
1072 O O   . TYR A 127 ? 0.644 0.632 0.698 -0.040 0.016  -0.032 126 TYR BBB O   
1073 C CB  . TYR A 127 ? 0.604 0.717 0.691 -0.034 0.042  -0.058 126 TYR BBB CB  
1074 C CG  . TYR A 127 ? 0.643 0.781 0.713 -0.049 0.048  -0.051 126 TYR BBB CG  
1075 C CD1 . TYR A 127 ? 0.704 0.835 0.759 -0.088 0.041  -0.027 126 TYR BBB CD1 
1076 C CD2 . TYR A 127 ? 0.649 0.819 0.712 -0.022 0.053  -0.069 126 TYR BBB CD2 
1077 C CE1 . TYR A 127 ? 0.724 0.894 0.760 -0.105 0.048  -0.016 126 TYR BBB CE1 
1078 C CE2 . TYR A 127 ? 0.699 0.910 0.743 -0.030 0.059  -0.067 126 TYR BBB CE2 
1079 C CZ  . TYR A 127 ? 0.713 0.931 0.744 -0.073 0.060  -0.038 126 TYR BBB CZ  
1080 O OH  . TYR A 127 ? 0.772 1.042 0.780 -0.082 0.066  -0.031 126 TYR BBB OH  
1081 N N   . PHE A 128 ? 0.654 0.638 0.716 -0.055 0.000  -0.037 127 PHE BBB N   
1082 C CA  . PHE A 128 ? 0.730 0.651 0.767 -0.076 -0.028 -0.024 127 PHE BBB CA  
1083 C C   . PHE A 128 ? 0.737 0.608 0.764 -0.038 -0.049 -0.038 127 PHE BBB C   
1084 O O   . PHE A 128 ? 0.813 0.623 0.815 -0.042 -0.078 -0.032 127 PHE BBB O   
1085 C CB  . PHE A 128 ? 0.771 0.681 0.804 -0.115 -0.050 -0.013 127 PHE BBB CB  
1086 C CG  . PHE A 128 ? 0.785 0.776 0.829 -0.155 -0.029 0.004  127 PHE BBB CG  
1087 C CD1 . PHE A 128 ? 0.817 0.824 0.841 -0.194 -0.029 0.033  127 PHE BBB CD1 
1088 C CD2 . PHE A 128 ? 0.744 0.811 0.815 -0.149 -0.010 -0.010 127 PHE BBB CD2 
1089 C CE1 . PHE A 128 ? 0.813 0.928 0.847 -0.225 -0.008 0.046  127 PHE BBB CE1 
1090 C CE2 . PHE A 128 ? 0.748 0.915 0.830 -0.175 0.009  -0.000 127 PHE BBB CE2 
1091 C CZ  . PHE A 128 ? 0.775 0.976 0.839 -0.213 0.012  0.027  127 PHE BBB CZ  
1092 N N   . ASP A 129 ? 0.700 0.605 0.744 -0.002 -0.037 -0.055 128 ASP BBB N   
1093 C CA  . ASP A 129 ? 0.730 0.627 0.768 0.041  -0.055 -0.074 128 ASP BBB CA  
1094 C C   . ASP A 129 ? 0.756 0.624 0.778 0.054  -0.070 -0.071 128 ASP BBB C   
1095 O O   . ASP A 129 ? 0.832 0.649 0.830 0.078  -0.107 -0.087 128 ASP BBB O   
1096 C CB  . ASP A 129 ? 0.702 0.672 0.763 0.066  -0.032 -0.080 128 ASP BBB CB  
1097 C CG  . ASP A 129 ? 0.685 0.679 0.756 0.070  -0.027 -0.090 128 ASP BBB CG  
1098 O OD1 . ASP A 129 ? 0.757 0.719 0.824 0.049  -0.039 -0.093 128 ASP BBB OD1 
1099 O OD2 . ASP A 129 ? 0.667 0.718 0.749 0.088  -0.014 -0.090 128 ASP BBB OD2 
1100 N N   . ARG A 130 ? 0.715 0.610 0.745 0.042  -0.049 -0.055 129 ARG BBB N   
1101 C CA  . ARG A 130 ? 0.729 0.612 0.747 0.054  -0.060 -0.051 129 ARG BBB CA  
1102 C C   . ARG A 130 ? 0.744 0.600 0.749 0.017  -0.054 -0.030 129 ARG BBB C   
1103 O O   . ARG A 130 ? 0.765 0.626 0.766 0.021  -0.054 -0.024 129 ARG BBB O   
1104 C CB  . ARG A 130 ? 0.680 0.639 0.723 0.074  -0.043 -0.052 129 ARG BBB CB  
1105 C CG  . ARG A 130 ? 0.683 0.698 0.736 0.111  -0.045 -0.070 129 ARG BBB CG  
1106 C CD  . ARG A 130 ? 0.669 0.781 0.744 0.125  -0.034 -0.062 129 ARG BBB CD  
1107 N NE  . ARG A 130 ? 0.696 0.818 0.764 0.145  -0.050 -0.067 129 ARG BBB NE  
1108 C CZ  . ARG A 130 ? 0.701 0.914 0.790 0.148  -0.043 -0.055 129 ARG BBB CZ  
1109 N NH1 . ARG A 130 ? 0.669 0.963 0.782 0.125  -0.024 -0.032 129 ARG BBB NH1 
1110 N NH2 . ARG A 130 ? 0.721 0.945 0.805 0.169  -0.059 -0.063 129 ARG BBB NH2 
1111 N N   . LEU A 131 ? 0.780 0.619 0.777 -0.018 -0.052 -0.018 130 LEU BBB N   
1112 C CA  . LEU A 131 ? 0.804 0.647 0.786 -0.054 -0.043 0.002  130 LEU BBB CA  
1113 C C   . LEU A 131 ? 0.874 0.664 0.824 -0.057 -0.069 0.016  130 LEU BBB C   
1114 O O   . LEU A 131 ? 0.872 0.681 0.813 -0.068 -0.058 0.027  130 LEU BBB O   
1115 C CB  . LEU A 131 ? 0.839 0.692 0.816 -0.093 -0.043 0.016  130 LEU BBB CB  
1116 C CG  . LEU A 131 ? 0.845 0.744 0.809 -0.129 -0.028 0.037  130 LEU BBB CG  
1117 C CD1 . LEU A 131 ? 0.796 0.758 0.776 -0.105 0.002  0.018  130 LEU BBB CD1 
1118 C CD2 . LEU A 131 ? 0.883 0.818 0.846 -0.175 -0.030 0.056  130 LEU BBB CD2 
1119 N N   . MET A 132 ? 0.975 0.697 0.905 -0.043 -0.107 0.012  131 MET BBB N   
1120 C CA  . MET A 132 ? 1.068 0.718 0.958 -0.046 -0.145 0.027  131 MET BBB CA  
1121 C C   . MET A 132 ? 1.001 0.676 0.897 -0.010 -0.140 0.016  131 MET BBB C   
1122 O O   . MET A 132 ? 1.040 0.673 0.905 -0.016 -0.162 0.031  131 MET BBB O   
1123 C CB  . MET A 132 ? 1.202 0.756 1.063 -0.029 -0.201 0.017  131 MET BBB CB  
1124 C CG  . MET A 132 ? 1.319 0.826 1.164 -0.081 -0.223 0.039  131 MET BBB CG  
1125 S SD  . MET A 132 ? 1.455 0.959 1.269 -0.164 -0.225 0.098  131 MET BBB SD  
1126 C CE  . MET A 132 ? 1.579 0.947 1.346 -0.211 -0.304 0.126  131 MET BBB CE  
1127 N N   . GLU A 133 ? 0.916 0.661 0.849 0.021  -0.115 -0.005 132 GLU BBB N   
1128 C CA  . GLU A 133 ? 0.903 0.689 0.848 0.049  -0.112 -0.012 132 GLU BBB CA  
1129 C C   . GLU A 133 ? 0.858 0.678 0.811 0.022  -0.087 0.003  132 GLU BBB C   
1130 O O   . GLU A 133 ? 0.839 0.688 0.800 0.035  -0.091 0.001  132 GLU BBB O   
1131 C CB  . GLU A 133 ? 0.869 0.731 0.850 0.084  -0.101 -0.032 132 GLU BBB CB  
1132 C CG  . GLU A 133 ? 0.920 0.764 0.891 0.127  -0.129 -0.058 132 GLU BBB CG  
1133 C CD  . GLU A 133 ? 0.913 0.862 0.916 0.164  -0.115 -0.076 132 GLU BBB CD  
1134 O OE1 . GLU A 133 ? 0.912 0.941 0.936 0.174  -0.107 -0.073 132 GLU BBB OE1 
1135 O OE2 . GLU A 133 ? 0.929 0.892 0.937 0.176  -0.112 -0.090 132 GLU BBB OE2 
1136 N N   . TRP A 134 ? 0.840 0.664 0.789 -0.011 -0.067 0.013  133 TRP BBB N   
1137 C CA  . TRP A 134 ? 0.816 0.673 0.768 -0.025 -0.049 0.015  133 TRP BBB CA  
1138 C C   . TRP A 134 ? 0.837 0.674 0.756 -0.033 -0.062 0.027  133 TRP BBB C   
1139 O O   . TRP A 134 ? 0.843 0.699 0.766 -0.027 -0.062 0.022  133 TRP BBB O   
1140 C CB  . TRP A 134 ? 0.784 0.667 0.739 -0.042 -0.028 0.013  133 TRP BBB CB  
1141 C CG  . TRP A 134 ? 0.717 0.626 0.703 -0.030 -0.015 -0.001 133 TRP BBB CG  
1142 C CD1 . TRP A 134 ? 0.713 0.627 0.715 -0.027 -0.010 -0.005 133 TRP BBB CD1 
1143 C CD2 . TRP A 134 ? 0.691 0.615 0.693 -0.022 -0.015 -0.008 133 TRP BBB CD2 
1144 N NE1 . TRP A 134 ? 0.695 0.632 0.719 -0.017 -0.003 -0.013 133 TRP BBB NE1 
1145 C CE2 . TRP A 134 ? 0.677 0.615 0.700 -0.017 -0.008 -0.012 133 TRP BBB CE2 
1146 C CE3 . TRP A 134 ? 0.722 0.641 0.717 -0.023 -0.026 -0.010 133 TRP BBB CE3 
1147 C CZ2 . TRP A 134 ? 0.674 0.615 0.710 -0.016 -0.015 -0.012 133 TRP BBB CZ2 
1148 C CZ3 . TRP A 134 ? 0.725 0.642 0.733 -0.023 -0.036 -0.012 133 TRP BBB CZ3 
1149 C CH2 . TRP A 134 ? 0.695 0.621 0.723 -0.022 -0.032 -0.011 133 TRP BBB CH2 
1150 N N   . PRO A 135 ? 0.872 0.669 0.756 -0.052 -0.078 0.046  134 PRO BBB N   
1151 C CA  . PRO A 135 ? 0.904 0.685 0.751 -0.063 -0.092 0.063  134 PRO BBB CA  
1152 C C   . PRO A 135 ? 0.925 0.695 0.776 -0.032 -0.111 0.053  134 PRO BBB C   
1153 O O   . PRO A 135 ? 0.920 0.712 0.763 -0.033 -0.109 0.053  134 PRO BBB O   
1154 C CB  . PRO A 135 ? 0.975 0.699 0.784 -0.092 -0.117 0.092  134 PRO BBB CB  
1155 C CG  . PRO A 135 ? 0.945 0.685 0.772 -0.111 -0.103 0.092  134 PRO BBB CG  
1156 C CD  . PRO A 135 ? 0.886 0.649 0.758 -0.072 -0.088 0.058  134 PRO BBB CD  
1157 N N   . ALA A 136 ? 0.941 0.690 0.805 -0.001 -0.131 0.042  135 ALA BBB N   
1158 C CA  . ALA A 136 ? 0.949 0.715 0.823 0.035  -0.151 0.030  135 ALA BBB CA  
1159 C C   . ALA A 136 ? 0.874 0.716 0.788 0.032  -0.128 0.021  135 ALA BBB C   
1160 O O   . ALA A 136 ? 0.886 0.747 0.799 0.037  -0.138 0.022  135 ALA BBB O   
1161 C CB  . ALA A 136 ? 0.965 0.722 0.848 0.077  -0.174 0.010  135 ALA BBB CB  
1162 N N   . LEU A 137 ? 0.852 0.728 0.797 0.022  -0.103 0.016  136 LEU BBB N   
1163 C CA  . LEU A 137 ? 0.804 0.732 0.781 0.011  -0.093 0.014  136 LEU BBB CA  
1164 C C   . LEU A 137 ? 0.804 0.711 0.757 -0.008 -0.094 0.015  136 LEU BBB C   
1165 O O   . LEU A 137 ? 0.828 0.754 0.789 -0.012 -0.107 0.015  136 LEU BBB O   
1166 C CB  . LEU A 137 ? 0.781 0.733 0.786 0.004  -0.075 0.012  136 LEU BBB CB  
1167 C CG  . LEU A 137 ? 0.773 0.752 0.800 -0.017 -0.077 0.018  136 LEU BBB CG  
1168 C CD1 . LEU A 137 ? 0.781 0.820 0.833 -0.019 -0.092 0.028  136 LEU BBB CD1 
1169 C CD2 . LEU A 137 ? 0.771 0.761 0.816 -0.024 -0.064 0.020  136 LEU BBB CD2 
1170 N N   . VAL A 138 ? 0.804 0.686 0.730 -0.019 -0.082 0.015  137 VAL BBB N   
1171 C CA  . VAL A 138 ? 0.836 0.717 0.733 -0.026 -0.081 0.009  137 VAL BBB CA  
1172 C C   . VAL A 138 ? 0.873 0.745 0.743 -0.024 -0.100 0.016  137 VAL BBB C   
1173 O O   . VAL A 138 ? 0.898 0.777 0.760 -0.023 -0.111 0.005  137 VAL BBB O   
1174 C CB  . VAL A 138 ? 0.843 0.734 0.717 -0.035 -0.063 0.008  137 VAL BBB CB  
1175 C CG1 . VAL A 138 ? 0.878 0.793 0.716 -0.033 -0.063 -0.003 137 VAL BBB CG1 
1176 C CG2 . VAL A 138 ? 0.811 0.714 0.713 -0.032 -0.048 -0.004 137 VAL BBB CG2 
1177 N N   . ALA A 139 ? 0.923 0.772 0.778 -0.020 -0.111 0.031  138 ALA BBB N   
1178 C CA  . ALA A 139 ? 0.963 0.797 0.790 -0.013 -0.135 0.040  138 ALA BBB CA  
1179 C C   . ALA A 139 ? 0.940 0.805 0.799 0.000  -0.149 0.028  138 ALA BBB C   
1180 O O   . ALA A 139 ? 0.968 0.838 0.809 -0.001 -0.162 0.026  138 ALA BBB O   
1181 C CB  . ALA A 139 ? 1.012 0.798 0.816 -0.006 -0.155 0.057  138 ALA BBB CB  
1182 N N   . ASP A 140 ? 0.921 0.819 0.825 0.011  -0.147 0.023  139 ASP BBB N   
1183 C CA  . ASP A 140 ? 0.917 0.873 0.859 0.015  -0.161 0.020  139 ASP BBB CA  
1184 C C   . ASP A 140 ? 0.913 0.874 0.864 -0.013 -0.164 0.017  139 ASP BBB C   
1185 O O   . ASP A 140 ? 0.942 0.928 0.902 -0.021 -0.186 0.018  139 ASP BBB O   
1186 C CB  . ASP A 140 ? 0.897 0.912 0.882 0.029  -0.156 0.019  139 ASP BBB CB  
1187 C CG  . ASP A 140 ? 0.951 0.954 0.922 0.071  -0.168 0.011  139 ASP BBB CG  
1188 O OD1 . ASP A 140 ? 1.040 0.981 0.968 0.082  -0.186 0.013  139 ASP BBB OD1 
1189 O OD2 . ASP A 140 ? 0.905 0.958 0.904 0.093  -0.163 0.002  139 ASP BBB OD2 
1190 N N   . LEU A 141 ? 0.907 0.842 0.854 -0.025 -0.149 0.012  140 LEU BBB N   
1191 C CA  . LEU A 141 ? 0.927 0.839 0.869 -0.042 -0.163 0.001  140 LEU BBB CA  
1192 C C   . LEU A 141 ? 0.993 0.881 0.890 -0.034 -0.178 -0.013 140 LEU BBB C   
1193 O O   . LEU A 141 ? 1.024 0.900 0.920 -0.043 -0.207 -0.022 140 LEU BBB O   
1194 C CB  . LEU A 141 ? 0.900 0.789 0.839 -0.042 -0.147 -0.008 140 LEU BBB CB  
1195 C CG  . LEU A 141 ? 0.859 0.769 0.838 -0.053 -0.138 0.005  140 LEU BBB CG  
1196 C CD1 . LEU A 141 ? 0.852 0.738 0.823 -0.046 -0.122 -0.006 140 LEU BBB CD1 
1197 C CD2 . LEU A 141 ? 0.872 0.794 0.878 -0.082 -0.167 0.020  140 LEU BBB CD2 
1198 N N   . HIS A 142 ? 1.038 0.920 0.898 -0.021 -0.162 -0.012 141 HIS BBB N   
1199 C CA  . HIS A 142 ? 1.105 0.983 0.915 -0.013 -0.172 -0.020 141 HIS BBB CA  
1200 C C   . HIS A 142 ? 1.140 1.024 0.952 -0.013 -0.199 -0.014 141 HIS BBB C   
1201 O O   . HIS A 142 ? 1.205 1.084 0.993 -0.010 -0.221 -0.030 141 HIS BBB O   
1202 C CB  . HIS A 142 ? 1.112 0.994 0.882 -0.013 -0.151 -0.005 141 HIS BBB CB  
1203 C CG  . HIS A 142 ? 1.126 1.032 0.874 -0.011 -0.131 -0.019 141 HIS BBB CG  
1204 N ND1 . HIS A 142 ? 1.188 1.126 0.889 0.000  -0.133 -0.035 141 HIS BBB ND1 
1205 C CD2 . HIS A 142 ? 1.094 1.011 0.859 -0.014 -0.109 -0.022 141 HIS BBB CD2 
1206 C CE1 . HIS A 142 ? 1.161 1.139 0.853 0.008  -0.113 -0.050 141 HIS BBB CE1 
1207 N NE2 . HIS A 142 ? 1.106 1.068 0.839 -0.002 -0.099 -0.041 141 HIS BBB NE2 
1208 N N   . ARG A 143 ? 1.022 1.026 1.016 -0.050 -0.044 -0.018 142 ARG BBB N   
1209 C CA  . ARG A 143 ? 1.071 1.058 1.041 -0.038 -0.031 -0.023 142 ARG BBB CA  
1210 C C   . ARG A 143 ? 1.078 1.075 1.061 -0.028 -0.028 -0.027 142 ARG BBB C   
1211 O O   . ARG A 143 ? 1.066 1.075 1.061 -0.021 -0.025 -0.032 142 ARG BBB O   
1212 C CB  . ARG A 143 ? 1.145 1.090 1.077 -0.041 -0.027 -0.023 142 ARG BBB CB  
1213 C CG  . ARG A 143 ? 1.191 1.131 1.126 -0.023 -0.015 -0.023 142 ARG BBB CG  
1214 C CD  . ARG A 143 ? 1.272 1.165 1.178 -0.017 0.002  -0.022 142 ARG BBB CD  
1215 N NE  . ARG A 143 ? 1.355 1.203 1.216 -0.030 0.002  -0.022 142 ARG BBB NE  
1216 C CZ  . ARG A 143 ? 1.459 1.256 1.269 -0.047 0.002  -0.027 142 ARG BBB CZ  
1217 N NH1 . ARG A 143 ? 1.486 1.262 1.270 -0.049 0.004  -0.031 142 ARG BBB NH1 
1218 N NH2 . ARG A 143 ? 1.512 1.267 1.285 -0.065 0.000  -0.028 142 ARG BBB NH2 
1219 N N   . ALA A 144 ? 1.105 1.085 1.077 -0.029 -0.030 -0.026 143 ALA BBB N   
1220 C CA  . ALA A 144 ? 1.113 1.087 1.090 -0.023 -0.020 -0.028 143 ALA BBB CA  
1221 C C   . ALA A 144 ? 1.097 1.097 1.106 -0.019 -0.019 -0.032 143 ALA BBB C   
1222 O O   . ALA A 144 ? 1.113 1.113 1.134 -0.018 -0.010 -0.040 143 ALA BBB O   
1223 C CB  . ALA A 144 ? 1.156 1.091 1.094 -0.025 -0.024 -0.021 143 ALA BBB CB  
1224 N N   . CYS A 145 ? 1.114 1.132 1.139 -0.017 -0.025 -0.028 144 CYS BBB N   
1225 C CA  . CYS A 145 ? 1.169 1.197 1.215 -0.010 -0.014 -0.031 144 CYS BBB CA  
1226 C C   . CYS A 145 ? 1.212 1.237 1.241 -0.013 -0.006 -0.043 144 CYS BBB C   
1227 O O   . CYS A 145 ? 1.226 1.237 1.246 -0.013 0.000  -0.054 144 CYS BBB O   
1228 C CB  . CYS A 145 ? 1.173 1.223 1.256 -0.005 -0.015 -0.021 144 CYS BBB CB  
1229 S SG  . CYS A 145 ? 1.199 1.247 1.313 0.014  0.008  -0.020 144 CYS BBB SG  
1230 N N   . ARG A 146 ? 1.242 1.271 1.258 -0.017 -0.009 -0.040 145 ARG BBB N   
1231 C CA  . ARG A 146 ? 1.313 1.327 1.294 -0.018 -0.008 -0.046 145 ARG BBB CA  
1232 C C   . ARG A 146 ? 1.319 1.332 1.296 -0.019 -0.029 -0.052 145 ARG BBB C   
1233 O O   . ARG A 146 ? 1.377 1.376 1.328 -0.021 -0.039 -0.062 145 ARG BBB O   
1234 C CB  . ARG A 146 ? 1.375 1.382 1.340 -0.021 -0.004 -0.036 145 ARG BBB CB  
1235 C CG  . ARG A 146 ? 1.425 1.431 1.399 -0.024 0.023  -0.032 145 ARG BBB CG  
1236 C CD  . ARG A 146 ? 1.482 1.469 1.431 -0.032 0.034  -0.024 145 ARG BBB CD  
1237 N NE  . ARG A 146 ? 1.476 1.475 1.450 -0.042 0.021  -0.017 145 ARG BBB NE  
1238 C CZ  . ARG A 146 ? 1.469 1.447 1.414 -0.041 0.006  -0.015 145 ARG BBB CZ  
1239 N NH1 . ARG A 146 ? 1.482 1.442 1.392 -0.027 -0.005 -0.016 145 ARG BBB NH1 
1240 N NH2 . ARG A 146 ? 1.443 1.414 1.396 -0.054 0.000  -0.012 145 ARG BBB NH2 
1241 N N   . GLU A 147 ? 1.281 1.306 1.284 -0.017 -0.033 -0.048 146 GLU BBB N   
1242 C CA  . GLU A 147 ? 1.256 1.295 1.290 -0.016 -0.045 -0.051 146 GLU BBB CA  
1243 C C   . GLU A 147 ? 1.262 1.303 1.322 -0.025 -0.037 -0.061 146 GLU BBB C   
1244 O O   . GLU A 147 ? 1.259 1.316 1.364 -0.028 -0.036 -0.063 146 GLU BBB O   
1245 C CB  . GLU A 147 ? 1.238 1.276 1.288 -0.009 -0.035 -0.042 146 GLU BBB CB  
1246 C CG  . GLU A 147 ? 1.250 1.273 1.272 -0.001 -0.041 -0.033 146 GLU BBB CG  
1247 C CD  . GLU A 147 ? 1.267 1.275 1.298 0.009  -0.025 -0.026 146 GLU BBB CD  
1248 O OE1 . GLU A 147 ? 1.238 1.247 1.297 0.010  -0.007 -0.028 146 GLU BBB OE1 
1249 O OE2 . GLU A 147 ? 1.305 1.288 1.307 0.015  -0.024 -0.018 146 GLU BBB OE2 
1250 N N   . LYS A 148 ? 1.291 1.317 1.332 -0.028 -0.028 -0.066 147 LYS BBB N   
1251 C CA  . LYS A 148 ? 1.306 1.316 1.357 -0.036 -0.016 -0.075 147 LYS BBB CA  
1252 C C   . LYS A 148 ? 1.274 1.288 1.362 -0.041 -0.004 -0.072 147 LYS BBB C   
1253 O O   . LYS A 148 ? 1.268 1.283 1.386 -0.055 -0.001 -0.083 147 LYS BBB O   
1254 C CB  . LYS A 148 ? 1.348 1.344 1.383 -0.048 -0.029 -0.092 147 LYS BBB CB  
1255 C CG  . LYS A 148 ? 1.406 1.380 1.385 -0.043 -0.031 -0.095 147 LYS BBB CG  
1256 C CD  . LYS A 148 ? 1.479 1.405 1.409 -0.053 -0.026 -0.114 147 LYS BBB CD  
1257 C CE  . LYS A 148 ? 1.533 1.424 1.401 -0.043 -0.008 -0.114 147 LYS BBB CE  
1258 N NZ  . LYS A 148 ? 1.626 1.450 1.430 -0.050 0.011  -0.133 147 LYS BBB NZ  
1259 N N   . ARG A 149 ? 1.254 1.352 1.319 0.038  0.031  0.006  148 ARG BBB N   
1260 C CA  . ARG A 149 ? 1.243 1.343 1.311 0.037  0.027  0.003  148 ARG BBB CA  
1261 C C   . ARG A 149 ? 1.157 1.259 1.235 0.016  0.015  -0.010 148 ARG BBB C   
1262 O O   . ARG A 149 ? 1.154 1.243 1.237 0.007  0.011  -0.017 148 ARG BBB O   
1263 C CB  . ARG A 149 ? 1.310 1.375 1.376 0.041  0.040  0.004  148 ARG BBB CB  
1264 C CG  . ARG A 149 ? 1.410 1.459 1.470 0.064  0.056  0.019  148 ARG BBB CG  
1265 C CD  . ARG A 149 ? 1.473 1.482 1.534 0.064  0.071  0.012  148 ARG BBB CD  
1266 N NE  . ARG A 149 ? 1.488 1.517 1.553 0.074  0.071  0.010  148 ARG BBB NE  
1267 C CZ  . ARG A 149 ? 1.519 1.552 1.584 0.102  0.082  0.022  148 ARG BBB CZ  
1268 N NH1 . ARG A 149 ? 1.538 1.553 1.598 0.122  0.093  0.043  148 ARG BBB NH1 
1269 N NH2 . ARG A 149 ? 1.537 1.595 1.607 0.109  0.081  0.016  148 ARG BBB NH2 
1270 N N   . ASP A 150 ? 1.106 1.224 1.186 0.010  0.009  -0.011 149 ASP BBB N   
1271 C CA  . ASP A 150 ? 1.066 1.183 1.155 -0.009 -0.001 -0.017 149 ASP BBB CA  
1272 C C   . ASP A 150 ? 1.017 1.110 1.107 -0.015 -0.001 -0.017 149 ASP BBB C   
1273 O O   . ASP A 150 ? 1.022 1.119 1.108 -0.012 0.004  -0.016 149 ASP BBB O   
1274 C CB  . ASP A 150 ? 1.082 1.231 1.171 -0.016 -0.005 -0.017 149 ASP BBB CB  
1275 C CG  . ASP A 150 ? 1.114 1.257 1.213 -0.037 -0.013 -0.020 149 ASP BBB CG  
1276 O OD1 . ASP A 150 ? 1.123 1.238 1.230 -0.042 -0.016 -0.023 149 ASP BBB OD1 
1277 O OD2 . ASP A 150 ? 1.168 1.332 1.265 -0.048 -0.015 -0.019 149 ASP BBB OD2 
1278 N N   . PRO A 151 ? 0.979 1.055 1.077 -0.022 -0.006 -0.019 150 PRO BBB N   
1279 C CA  . PRO A 151 ? 0.972 1.042 1.072 -0.028 -0.007 -0.017 150 PRO BBB CA  
1280 C C   . PRO A 151 ? 0.950 1.039 1.049 -0.037 -0.012 -0.010 150 PRO BBB C   
1281 O O   . PRO A 151 ? 0.939 1.038 1.036 -0.041 -0.009 -0.012 150 PRO BBB O   
1282 C CB  . PRO A 151 ? 0.984 1.044 1.097 -0.031 -0.015 -0.017 150 PRO BBB CB  
1283 C CG  . PRO A 151 ? 0.990 1.044 1.106 -0.025 -0.012 -0.026 150 PRO BBB CG  
1284 C CD  . PRO A 151 ? 0.989 1.058 1.096 -0.023 -0.009 -0.025 150 PRO BBB CD  
1285 N N   . ALA A 152 ? 0.958 1.059 1.059 -0.043 -0.017 -0.006 151 ALA BBB N   
1286 C CA  . ALA A 152 ? 0.957 1.080 1.056 -0.055 -0.021 0.003  151 ALA BBB CA  
1287 C C   . ALA A 152 ? 0.966 1.116 1.055 -0.050 -0.014 -0.003 151 ALA BBB C   
1288 O O   . ALA A 152 ? 0.937 1.114 1.024 -0.060 -0.016 0.000  151 ALA BBB O   
1289 C CB  . ALA A 152 ? 0.960 1.080 1.065 -0.067 -0.026 0.008  151 ALA BBB CB  
1290 N N   . SER A 153 ? 1.002 1.147 1.088 -0.034 -0.006 -0.011 152 SER BBB N   
1291 C CA  . SER A 153 ? 1.032 1.198 1.113 -0.021 0.003  -0.016 152 SER BBB CA  
1292 C C   . SER A 153 ? 1.062 1.231 1.142 -0.025 0.009  -0.023 152 SER BBB C   
1293 O O   . SER A 153 ? 1.110 1.266 1.191 -0.034 0.008  -0.025 152 SER BBB O   
1294 C CB  . SER A 153 ? 1.025 1.178 1.103 0.000  0.012  -0.015 152 SER BBB CB  
1295 O OG  . SER A 153 ? 1.034 1.150 1.112 0.004  0.019  -0.018 152 SER BBB OG  
1296 N N   . PRO A 154 ? 1.096 1.289 1.175 -0.017 0.017  -0.031 153 PRO BBB N   
1297 C CA  . PRO A 154 ? 1.093 1.291 1.174 -0.021 0.027  -0.045 153 PRO BBB CA  
1298 C C   . PRO A 154 ? 1.091 1.245 1.173 -0.013 0.041  -0.055 153 PRO BBB C   
1299 O O   . PRO A 154 ? 1.111 1.268 1.195 -0.026 0.047  -0.068 153 PRO BBB O   
1300 C CB  . PRO A 154 ? 1.100 1.329 1.182 -0.008 0.035  -0.054 153 PRO BBB CB  
1301 C CG  . PRO A 154 ? 1.087 1.346 1.167 -0.009 0.023  -0.041 153 PRO BBB CG  
1302 C CD  . PRO A 154 ? 1.091 1.317 1.169 -0.007 0.017  -0.029 153 PRO BBB CD  
1303 N N   . GLU A 155 ? 0.970 1.142 1.246 0.026  -0.069 -0.041 154 GLU BBB N   
1304 C CA  . GLU A 155 ? 0.974 1.123 1.242 0.031  -0.080 -0.034 154 GLU BBB CA  
1305 C C   . GLU A 155 ? 0.921 1.059 1.165 0.025  -0.072 -0.018 154 GLU BBB C   
1306 O O   . GLU A 155 ? 0.887 1.017 1.122 0.024  -0.073 -0.012 154 GLU BBB O   
1307 C CB  . GLU A 155 ? 1.024 1.156 1.297 0.035  -0.099 -0.031 154 GLU BBB CB  
1308 C CG  . GLU A 155 ? 1.085 1.225 1.392 0.044  -0.113 -0.051 154 GLU BBB CG  
1309 C CD  . GLU A 155 ? 1.115 1.268 1.431 0.044  -0.109 -0.059 154 GLU BBB CD  
1310 O OE1 . GLU A 155 ? 1.112 1.274 1.412 0.037  -0.093 -0.052 154 GLU BBB OE1 
1311 O OE2 . GLU A 155 ? 1.162 1.316 1.505 0.052  -0.126 -0.074 154 GLU BBB OE2 
1312 N N   . GLY A 156 ? 0.866 1.005 1.104 0.020  -0.066 -0.013 155 GLY BBB N   
1313 C CA  . GLY A 156 ? 0.848 0.983 1.075 0.016  -0.061 -0.007 155 GLY BBB CA  
1314 C C   . GLY A 156 ? 0.824 0.960 1.050 0.012  -0.055 -0.003 155 GLY BBB C   
1315 O O   . GLY A 156 ? 0.814 0.944 1.032 0.012  -0.054 0.001  155 GLY BBB O   
1316 N N   . GLN A 157 ? 0.801 0.950 1.034 0.007  -0.052 -0.005 156 GLN BBB N   
1317 C CA  . GLN A 157 ? 0.817 0.974 1.046 -0.004 -0.048 0.001  156 GLN BBB CA  
1318 C C   . GLN A 157 ? 0.808 0.972 1.035 -0.001 -0.044 -0.005 156 GLN BBB C   
1319 O O   . GLN A 157 ? 0.821 0.985 1.039 -0.009 -0.041 0.002  156 GLN BBB O   
1320 C CB  . GLN A 157 ? 0.822 1.001 1.055 -0.020 -0.047 0.001  156 GLN BBB CB  
1321 C CG  . GLN A 157 ? 0.831 0.998 1.067 -0.027 -0.056 0.011  156 GLN BBB CG  
1322 C CD  . GLN A 157 ? 0.849 0.994 1.085 -0.030 -0.066 0.023  156 GLN BBB CD  
1323 O OE1 . GLN A 157 ? 0.891 1.037 1.122 -0.046 -0.071 0.036  156 GLN BBB OE1 
1324 N NE2 . GLN A 157 ? 0.846 0.974 1.090 -0.015 -0.070 0.017  156 GLN BBB NE2 
1325 N N   . GLN A 158 ? 0.814 0.981 1.050 0.009  -0.047 -0.016 157 GLN BBB N   
1326 C CA  . GLN A 158 ? 0.826 0.993 1.066 0.015  -0.049 -0.024 157 GLN BBB CA  
1327 C C   . GLN A 158 ? 0.796 0.939 1.019 0.017  -0.052 -0.010 157 GLN BBB C   
1328 O O   . GLN A 158 ? 0.795 0.939 1.015 0.017  -0.049 -0.009 157 GLN BBB O   
1329 C CB  . GLN A 158 ? 0.855 1.024 1.118 0.026  -0.062 -0.040 157 GLN BBB CB  
1330 C CG  . GLN A 158 ? 0.891 1.098 1.180 0.027  -0.059 -0.066 157 GLN BBB CG  
1331 C CD  . GLN A 158 ? 0.932 1.139 1.254 0.040  -0.076 -0.087 157 GLN BBB CD  
1332 O OE1 . GLN A 158 ? 0.937 1.121 1.257 0.044  -0.088 -0.077 157 GLN BBB OE1 
1333 N NE2 . GLN A 158 ? 0.953 1.190 1.309 0.046  -0.081 -0.118 157 GLN BBB NE2 
1334 N N   . LEU A 159 ? 0.768 0.897 0.982 0.018  -0.056 -0.001 158 LEU BBB N   
1335 C CA  . LEU A 159 ? 0.778 0.894 0.975 0.016  -0.057 0.007  158 LEU BBB CA  
1336 C C   . LEU A 159 ? 0.716 0.834 0.911 0.012  -0.049 0.010  158 LEU BBB C   
1337 O O   . LEU A 159 ? 0.693 0.807 0.880 0.012  -0.047 0.014  158 LEU BBB O   
1338 C CB  . LEU A 159 ? 0.792 0.907 0.983 0.013  -0.062 0.009  158 LEU BBB CB  
1339 C CG  . LEU A 159 ? 0.833 0.940 1.022 0.012  -0.077 0.012  158 LEU BBB CG  
1340 C CD1 . LEU A 159 ? 0.853 0.964 1.028 0.001  -0.083 0.017  158 LEU BBB CD1 
1341 C CD2 . LEU A 159 ? 0.844 0.938 1.030 0.011  -0.088 0.018  158 LEU BBB CD2 
1342 N N   . ALA A 160 ? 0.685 0.806 0.888 0.009  -0.048 0.010  159 ALA BBB N   
1343 C CA  . ALA A 160 ? 0.687 0.804 0.893 0.004  -0.049 0.015  159 ALA BBB CA  
1344 C C   . ALA A 160 ? 0.679 0.799 0.879 -0.003 -0.046 0.022  159 ALA BBB C   
1345 O O   . ALA A 160 ? 0.680 0.792 0.878 -0.004 -0.048 0.026  159 ALA BBB O   
1346 C CB  . ALA A 160 ? 0.685 0.802 0.904 -0.002 -0.056 0.017  159 ALA BBB CB  
1347 N N   . GLN A 161 ? 0.675 0.812 0.875 -0.007 -0.041 0.018  160 GLN BBB N   
1348 C CA  . GLN A 161 ? 0.698 0.850 0.893 -0.016 -0.035 0.018  160 GLN BBB CA  
1349 C C   . GLN A 161 ? 0.671 0.815 0.862 -0.006 -0.033 0.015  160 GLN BBB C   
1350 O O   . GLN A 161 ? 0.665 0.811 0.849 -0.012 -0.031 0.020  160 GLN BBB O   
1351 C CB  . GLN A 161 ? 0.731 0.916 0.934 -0.023 -0.030 0.005  160 GLN BBB CB  
1352 C CG  . GLN A 161 ? 0.790 0.991 0.993 -0.041 -0.032 0.011  160 GLN BBB CG  
1353 C CD  . GLN A 161 ? 0.849 1.060 1.038 -0.067 -0.034 0.027  160 GLN BBB CD  
1354 O OE1 . GLN A 161 ? 0.879 1.085 1.060 -0.070 -0.033 0.033  160 GLN BBB OE1 
1355 N NE2 . GLN A 161 ? 0.906 1.133 1.092 -0.090 -0.039 0.035  160 GLN BBB NE2 
1356 N N   . ARG A 162 ? 0.645 0.780 0.839 0.006  -0.037 0.009  161 ARG BBB N   
1357 C CA  . ARG A 162 ? 0.649 0.772 0.838 0.013  -0.041 0.010  161 ARG BBB CA  
1358 C C   . ARG A 162 ? 0.627 0.738 0.802 0.010  -0.039 0.020  161 ARG BBB C   
1359 O O   . ARG A 162 ? 0.608 0.716 0.777 0.010  -0.037 0.023  161 ARG BBB O   
1360 C CB  . ARG A 162 ? 0.656 0.769 0.850 0.019  -0.053 0.008  161 ARG BBB CB  
1361 C CG  . ARG A 162 ? 0.679 0.802 0.896 0.026  -0.061 -0.008 161 ARG BBB CG  
1362 C CD  . ARG A 162 ? 0.698 0.803 0.923 0.031  -0.081 -0.007 161 ARG BBB CD  
1363 N NE  . ARG A 162 ? 0.709 0.792 0.919 0.027  -0.093 0.007  161 ARG BBB NE  
1364 C CZ  . ARG A 162 ? 0.737 0.803 0.938 0.020  -0.112 0.020  161 ARG BBB CZ  
1365 N NH1 . ARG A 162 ? 0.772 0.838 0.978 0.019  -0.120 0.019  161 ARG BBB NH1 
1366 N NH2 . ARG A 162 ? 0.743 0.794 0.927 0.011  -0.124 0.035  161 ARG BBB NH2 
1367 N N   . TRP A 163 ? 0.598 0.705 0.773 0.009  -0.040 0.021  162 TRP BBB N   
1368 C CA  . TRP A 163 ? 0.596 0.700 0.769 0.008  -0.040 0.021  162 TRP BBB CA  
1369 C C   . TRP A 163 ? 0.606 0.707 0.783 0.004  -0.040 0.027  162 TRP BBB C   
1370 O O   . TRP A 163 ? 0.592 0.689 0.764 0.005  -0.039 0.028  162 TRP BBB O   
1371 C CB  . TRP A 163 ? 0.588 0.698 0.772 0.009  -0.044 0.013  162 TRP BBB CB  
1372 C CG  . TRP A 163 ? 0.585 0.696 0.780 0.010  -0.047 0.005  162 TRP BBB CG  
1373 C CD1 . TRP A 163 ? 0.591 0.716 0.783 0.009  -0.044 -0.006 162 TRP BBB CD1 
1374 C CD2 . TRP A 163 ? 0.577 0.678 0.791 0.010  -0.056 0.006  162 TRP BBB CD2 
1375 N NE1 . TRP A 163 ? 0.601 0.727 0.815 0.012  -0.050 -0.018 162 TRP BBB NE1 
1376 C CE2 . TRP A 163 ? 0.587 0.694 0.816 0.014  -0.061 -0.009 162 TRP BBB CE2 
1377 C CE3 . TRP A 163 ? 0.592 0.681 0.813 0.003  -0.065 0.018  162 TRP BBB CE3 
1378 C CZ2 . TRP A 163 ? 0.597 0.691 0.854 0.015  -0.077 -0.012 162 TRP BBB CZ2 
1379 C CZ3 . TRP A 163 ? 0.601 0.676 0.843 0.000  -0.083 0.020  162 TRP BBB CZ3 
1380 C CH2 . TRP A 163 ? 0.606 0.680 0.868 0.008  -0.091 0.005  162 TRP BBB CH2 
1381 N N   . LEU A 164 ? 0.555 0.611 0.771 0.060  -0.060 0.003  163 LEU BBB N   
1382 C CA  . LEU A 164 ? 0.555 0.642 0.766 0.054  -0.032 0.006  163 LEU BBB CA  
1383 C C   . LEU A 164 ? 0.544 0.654 0.755 0.066  -0.009 -0.007 163 LEU BBB C   
1384 O O   . LEU A 164 ? 0.573 0.676 0.748 0.065  0.007  -0.006 163 LEU BBB O   
1385 C CB  . LEU A 164 ? 0.562 0.694 0.822 0.037  -0.030 0.018  163 LEU BBB CB  
1386 C CG  . LEU A 164 ? 0.559 0.719 0.807 0.022  -0.006 0.029  163 LEU BBB CG  
1387 C CD1 . LEU A 164 ? 0.580 0.679 0.770 0.017  -0.023 0.036  163 LEU BBB CD1 
1388 C CD2 . LEU A 164 ? 0.576 0.802 0.878 -0.003 -0.002 0.050  163 LEU BBB CD2 
1389 N N   . ALA A 165 ? 0.528 0.658 0.777 0.081  -0.014 -0.022 164 ALA BBB N   
1390 C CA  . ALA A 165 ? 0.538 0.677 0.783 0.100  -0.005 -0.042 164 ALA BBB CA  
1391 C C   . ALA A 165 ? 0.557 0.642 0.753 0.095  -0.018 -0.035 164 ALA BBB C   
1392 O O   . ALA A 165 ? 0.564 0.648 0.736 0.097  -0.006 -0.037 164 ALA BBB O   
1393 C CB  . ALA A 165 ? 0.537 0.698 0.832 0.125  -0.021 -0.065 164 ALA BBB CB  
1394 N N   . LEU A 166 ? 0.572 0.619 0.752 0.087  -0.044 -0.022 165 LEU BBB N   
1395 C CA  . LEU A 166 ? 0.590 0.604 0.728 0.075  -0.057 -0.007 165 LEU BBB CA  
1396 C C   . LEU A 166 ? 0.578 0.610 0.685 0.065  -0.030 0.006  165 LEU BBB C   
1397 O O   . LEU A 166 ? 0.580 0.613 0.671 0.060  -0.026 0.012  165 LEU BBB O   
1398 C CB  . LEU A 166 ? 0.623 0.603 0.746 0.063  -0.089 0.008  165 LEU BBB CB  
1399 C CG  . LEU A 166 ? 0.662 0.608 0.812 0.072  -0.131 -0.003 165 LEU BBB CG  
1400 C CD1 . LEU A 166 ? 0.727 0.629 0.846 0.051  -0.168 0.021  165 LEU BBB CD1 
1401 C CD2 . LEU A 166 ? 0.706 0.637 0.862 0.082  -0.147 -0.015 165 LEU BBB CD2 
1402 N N   . PHE A 167 ? 0.593 0.632 0.692 0.066  -0.020 0.007  166 PHE BBB N   
1403 C CA  . PHE A 167 ? 0.573 0.622 0.644 0.066  -0.002 0.010  166 PHE BBB CA  
1404 C C   . PHE A 167 ? 0.573 0.638 0.653 0.066  0.015  0.006  166 PHE BBB C   
1405 O O   . PHE A 167 ? 0.603 0.675 0.666 0.065  0.022  0.011  166 PHE BBB O   
1406 C CB  . PHE A 167 ? 0.581 0.618 0.646 0.071  -0.010 0.007  166 PHE BBB CB  
1407 C CG  . PHE A 167 ? 0.582 0.618 0.622 0.078  -0.004 0.004  166 PHE BBB CG  
1408 C CD1 . PHE A 167 ? 0.592 0.636 0.596 0.092  -0.000 0.001  166 PHE BBB CD1 
1409 C CD2 . PHE A 167 ? 0.602 0.635 0.654 0.072  -0.003 0.004  166 PHE BBB CD2 
1410 C CE1 . PHE A 167 ? 0.632 0.676 0.619 0.109  -0.001 -0.009 166 PHE BBB CE1 
1411 C CE2 . PHE A 167 ? 0.648 0.667 0.675 0.080  -0.010 0.000  166 PHE BBB CE2 
1412 C CZ  . PHE A 167 ? 0.646 0.668 0.644 0.103  -0.010 -0.010 166 PHE BBB CZ  
1413 N N   . GLN A 168 ? 0.566 0.643 0.670 0.066  0.021  -0.002 167 GLN BBB N   
1414 C CA  . GLN A 168 ? 0.565 0.656 0.664 0.064  0.037  -0.005 167 GLN BBB CA  
1415 C C   . GLN A 168 ? 0.581 0.663 0.671 0.070  0.035  -0.010 167 GLN BBB C   
1416 O O   . GLN A 168 ? 0.595 0.674 0.666 0.068  0.042  -0.010 167 GLN BBB O   
1417 C CB  . GLN A 168 ? 0.561 0.685 0.686 0.061  0.049  -0.008 167 GLN BBB CB  
1418 C CG  . GLN A 168 ? 0.590 0.714 0.720 0.044  0.043  0.008  167 GLN BBB CG  
1419 C CD  . GLN A 168 ? 0.601 0.778 0.763 0.030  0.055  0.015  167 GLN BBB CD  
1420 O OE1 . GLN A 168 ? 0.601 0.824 0.792 0.042  0.071  0.002  167 GLN BBB OE1 
1421 N NE2 . GLN A 168 ? 0.622 0.796 0.781 0.004  0.045  0.038  167 GLN BBB NE2 
1422 N N   . SER A 169 ? 0.594 0.660 0.693 0.075  0.016  -0.014 168 SER BBB N   
1423 C CA  . SER A 169 ? 0.604 0.645 0.691 0.077  -0.003 -0.016 168 SER BBB CA  
1424 C C   . SER A 169 ? 0.600 0.640 0.669 0.060  -0.004 0.007  168 SER BBB C   
1425 O O   . SER A 169 ? 0.641 0.664 0.701 0.058  -0.016 0.007  168 SER BBB O   
1426 C CB  . SER A 169 ? 0.629 0.642 0.729 0.082  -0.037 -0.020 168 SER BBB CB  
1427 O OG  . SER A 169 ? 0.663 0.665 0.754 0.061  -0.053 0.007  168 SER BBB OG  
1428 N N   . TYR A 170 ? 0.576 0.638 0.642 0.053  0.007  0.021  169 TYR BBB N   
1429 C CA  . TYR A 170 ? 0.581 0.666 0.641 0.044  0.011  0.039  169 TYR BBB CA  
1430 C C   . TYR A 170 ? 0.553 0.655 0.607 0.055  0.028  0.031  169 TYR BBB C   
1431 O O   . TYR A 170 ? 0.564 0.681 0.621 0.053  0.029  0.038  169 TYR BBB O   
1432 C CB  . TYR A 170 ? 0.601 0.712 0.658 0.030  0.005  0.062  169 TYR BBB CB  
1433 C CG  . TYR A 170 ? 0.620 0.748 0.662 0.041  0.017  0.057  169 TYR BBB CG  
1434 C CD1 . TYR A 170 ? 0.614 0.771 0.647 0.059  0.035  0.048  169 TYR BBB CD1 
1435 C CD2 . TYR A 170 ? 0.632 0.741 0.666 0.036  0.004  0.060  169 TYR BBB CD2 
1436 C CE1 . TYR A 170 ? 0.627 0.791 0.636 0.075  0.038  0.038  169 TYR BBB CE1 
1437 C CE2 . TYR A 170 ? 0.646 0.761 0.656 0.046  0.009  0.055  169 TYR BBB CE2 
1438 C CZ  . TYR A 170 ? 0.652 0.794 0.646 0.067  0.027  0.043  169 TYR BBB CZ  
1439 O OH  . TYR A 170 ? 0.661 0.798 0.621 0.083  0.024  0.033  169 TYR BBB OH  
1440 N N   . ALA A 171 ? 0.549 0.642 0.598 0.064  0.035  0.019  170 ALA BBB N   
1441 C CA  . ALA A 171 ? 0.557 0.646 0.596 0.073  0.036  0.012  170 ALA BBB CA  
1442 C C   . ALA A 171 ? 0.555 0.626 0.589 0.064  0.037  0.010  170 ALA BBB C   
1443 O O   . ALA A 171 ? 0.584 0.644 0.607 0.066  0.029  0.011  170 ALA BBB O   
1444 C CB  . ALA A 171 ? 0.576 0.653 0.608 0.081  0.029  0.006  170 ALA BBB CB  
1445 N N   . GLY A 172 ? 0.535 0.605 0.573 0.058  0.043  0.007  171 GLY BBB N   
1446 C CA  . GLY A 172 ? 0.561 0.629 0.586 0.048  0.050  0.007  171 GLY BBB CA  
1447 C C   . GLY A 172 ? 0.573 0.651 0.608 0.037  0.051  0.013  171 GLY BBB C   
1448 O O   . GLY A 172 ? 0.564 0.640 0.615 0.042  0.043  0.013  171 GLY BBB O   
1449 N N   . LYS A 173 ? 0.609 0.701 0.633 0.020  0.059  0.022  172 LYS BBB N   
1450 C CA  . LYS A 173 ? 0.626 0.748 0.670 0.000  0.062  0.036  172 LYS BBB CA  
1451 C C   . LYS A 173 ? 0.619 0.710 0.643 -0.027 0.037  0.060  172 LYS BBB C   
1452 O O   . LYS A 173 ? 0.674 0.790 0.713 -0.054 0.033  0.082  172 LYS BBB O   
1453 C CB  . LYS A 173 ? 0.673 0.856 0.723 -0.002 0.092  0.032  172 LYS BBB CB  
1454 C CG  . LYS A 173 ? 0.698 0.899 0.769 0.031  0.103  0.003  172 LYS BBB CG  
1455 C CD  . LYS A 173 ? 0.748 1.025 0.843 0.041  0.129  -0.009 172 LYS BBB CD  
1456 C CE  . LYS A 173 ? 0.779 1.055 0.896 0.079  0.124  -0.043 172 LYS BBB CE  
1457 N NZ  . LYS A 173 ? 0.850 1.195 0.973 0.106  0.148  -0.070 172 LYS BBB NZ  
1458 N N   . ASP A 174 ? 0.709 0.626 0.688 -0.036 0.095  -0.037 173 ASP BBB N   
1459 C CA  . ASP A 174 ? 0.713 0.635 0.668 -0.032 0.081  -0.034 173 ASP BBB CA  
1460 C C   . ASP A 174 ? 0.641 0.605 0.648 -0.037 0.068  -0.020 173 ASP BBB C   
1461 O O   . ASP A 174 ? 0.573 0.563 0.603 -0.045 0.050  -0.022 173 ASP BBB O   
1462 C CB  . ASP A 174 ? 0.777 0.696 0.686 -0.033 0.053  -0.052 173 ASP BBB CB  
1463 C CG  . ASP A 174 ? 0.837 0.757 0.719 -0.024 0.043  -0.045 173 ASP BBB CG  
1464 O OD1 . ASP A 174 ? 0.825 0.775 0.741 -0.027 0.031  -0.038 173 ASP BBB OD1 
1465 O OD2 . ASP A 174 ? 0.986 0.869 0.809 -0.011 0.053  -0.045 173 ASP BBB OD2 
1466 N N   . ALA A 175 ? 0.624 0.588 0.647 -0.035 0.080  -0.008 174 ALA BBB N   
1467 C CA  . ALA A 175 ? 0.592 0.589 0.661 -0.044 0.069  0.001  174 ALA BBB CA  
1468 C C   . ALA A 175 ? 0.575 0.585 0.626 -0.050 0.045  -0.008 174 ALA BBB C   
1469 O O   . ALA A 175 ? 0.568 0.602 0.641 -0.060 0.029  -0.008 174 ALA BBB O   
1470 C CB  . ALA A 175 ? 0.600 0.589 0.692 -0.041 0.091  0.011  174 ALA BBB CB  
1471 N N   . GLN A 176 ? 0.587 0.580 0.596 -0.043 0.042  -0.015 175 GLN BBB N   
1472 C CA  . GLN A 176 ? 0.600 0.603 0.601 -0.045 0.026  -0.021 175 GLN BBB CA  
1473 C C   . GLN A 176 ? 0.581 0.600 0.594 -0.052 0.010  -0.028 175 GLN BBB C   
1474 O O   . GLN A 176 ? 0.557 0.587 0.583 -0.059 0.005  -0.028 175 GLN BBB O   
1475 C CB  . GLN A 176 ? 0.648 0.631 0.609 -0.031 0.027  -0.020 175 GLN BBB CB  
1476 C CG  . GLN A 176 ? 0.672 0.663 0.635 -0.028 0.017  -0.018 175 GLN BBB CG  
1477 C CD  . GLN A 176 ? 0.726 0.699 0.649 -0.008 0.017  -0.010 175 GLN BBB CD  
1478 O OE1 . GLN A 176 ? 0.762 0.709 0.650 0.002  0.032  -0.004 175 GLN BBB OE1 
1479 N NE2 . GLN A 176 ? 0.726 0.712 0.655 -0.002 0.003  -0.006 175 GLN BBB NE2 
1480 N N   . THR A 177 ? 0.565 0.579 0.572 -0.050 0.008  -0.035 176 THR BBB N   
1481 C CA  . THR A 177 ? 0.543 0.568 0.571 -0.056 0.001  -0.043 176 THR BBB CA  
1482 C C   . THR A 177 ? 0.534 0.571 0.585 -0.062 0.006  -0.031 176 THR BBB C   
1483 O O   . THR A 177 ? 0.523 0.566 0.583 -0.065 0.002  -0.032 176 THR BBB O   
1484 C CB  . THR A 177 ? 0.569 0.580 0.588 -0.056 0.004  -0.055 176 THR BBB CB  
1485 O OG1 . THR A 177 ? 0.595 0.594 0.578 -0.052 -0.009 -0.066 176 THR BBB OG1 
1486 C CG2 . THR A 177 ? 0.565 0.583 0.614 -0.064 0.003  -0.063 176 THR BBB CG2 
1487 N N   . GLN A 178 ? 0.531 0.570 0.594 -0.061 0.014  -0.020 177 GLN BBB N   
1488 C CA  . GLN A 178 ? 0.522 0.578 0.607 -0.064 0.010  -0.007 177 GLN BBB CA  
1489 C C   . GLN A 178 ? 0.512 0.574 0.583 -0.072 -0.003 -0.008 177 GLN BBB C   
1490 O O   . GLN A 178 ? 0.503 0.569 0.569 -0.075 -0.009 -0.003 177 GLN BBB O   
1491 C CB  . GLN A 178 ? 0.541 0.606 0.655 -0.061 0.018  0.008  177 GLN BBB CB  
1492 C CG  . GLN A 178 ? 0.563 0.654 0.704 -0.064 0.003  0.025  177 GLN BBB CG  
1493 C CD  . GLN A 178 ? 0.570 0.677 0.762 -0.060 0.011  0.042  177 GLN BBB CD  
1494 O OE1 . GLN A 178 ? 0.574 0.664 0.779 -0.051 0.037  0.046  177 GLN BBB OE1 
1495 N NE2 . GLN A 178 ? 0.567 0.703 0.789 -0.068 -0.010 0.052  177 GLN BBB NE2 
1496 N N   . GLN A 179 ? 0.523 0.579 0.585 -0.075 -0.002 -0.015 178 GLN BBB N   
1497 C CA  . GLN A 179 ? 0.544 0.596 0.590 -0.085 -0.008 -0.020 178 GLN BBB CA  
1498 C C   . GLN A 179 ? 0.543 0.584 0.573 -0.083 -0.004 -0.025 178 GLN BBB C   
1499 O O   . GLN A 179 ? 0.558 0.588 0.568 -0.091 -0.004 -0.028 178 GLN BBB O   
1500 C CB  . GLN A 179 ? 0.579 0.623 0.626 -0.087 0.001  -0.024 178 GLN BBB CB  
1501 C CG  . GLN A 179 ? 0.634 0.688 0.710 -0.091 0.002  -0.018 178 GLN BBB CG  
1502 C CD  . GLN A 179 ? 0.665 0.738 0.755 -0.106 -0.018 -0.017 178 GLN BBB CD  
1503 O OE1 . GLN A 179 ? 0.727 0.792 0.792 -0.118 -0.026 -0.027 178 GLN BBB OE1 
1504 N NE2 . GLN A 179 ? 0.689 0.785 0.812 -0.103 -0.026 -0.004 178 GLN BBB NE2 
1505 N N   . LYS A 180 ? 0.526 0.566 0.564 -0.075 -0.001 -0.028 179 LYS BBB N   
1506 C CA  . LYS A 180 ? 0.537 0.571 0.581 -0.073 0.005  -0.032 179 LYS BBB CA  
1507 C C   . LYS A 180 ? 0.539 0.569 0.584 -0.075 0.011  -0.027 179 LYS BBB C   
1508 O O   . LYS A 180 ? 0.542 0.556 0.578 -0.076 0.023  -0.027 179 LYS BBB O   
1509 C CB  . LYS A 180 ? 0.536 0.578 0.599 -0.067 -0.001 -0.038 179 LYS BBB CB  
1510 C CG  . LYS A 180 ? 0.557 0.599 0.611 -0.060 -0.006 -0.038 179 LYS BBB CG  
1511 C CD  . LYS A 180 ? 0.577 0.630 0.647 -0.053 -0.021 -0.043 179 LYS BBB CD  
1512 C CE  . LYS A 180 ? 0.600 0.650 0.643 -0.042 -0.031 -0.040 179 LYS BBB CE  
1513 N NZ  . LYS A 180 ? 0.613 0.679 0.669 -0.036 -0.055 -0.045 179 LYS BBB NZ  
1514 N N   . PHE A 181 ? 0.519 0.557 0.571 -0.073 0.008  -0.021 180 PHE BBB N   
1515 C CA  . PHE A 181 ? 0.541 0.573 0.592 -0.070 0.017  -0.011 180 PHE BBB CA  
1516 C C   . PHE A 181 ? 0.576 0.601 0.588 -0.073 0.009  -0.002 180 PHE BBB C   
1517 O O   . PHE A 181 ? 0.601 0.605 0.587 -0.071 0.020  0.003  180 PHE BBB O   
1518 C CB  . PHE A 181 ? 0.536 0.576 0.608 -0.064 0.020  -0.003 180 PHE BBB CB  
1519 C CG  . PHE A 181 ? 0.528 0.562 0.628 -0.063 0.032  -0.014 180 PHE BBB CG  
1520 C CD1 . PHE A 181 ? 0.538 0.559 0.655 -0.060 0.051  -0.012 180 PHE BBB CD1 
1521 C CD2 . PHE A 181 ? 0.511 0.546 0.615 -0.065 0.026  -0.029 180 PHE BBB CD2 
1522 C CE1 . PHE A 181 ? 0.535 0.551 0.686 -0.064 0.062  -0.028 180 PHE BBB CE1 
1523 C CE2 . PHE A 181 ? 0.508 0.536 0.632 -0.069 0.032  -0.045 180 PHE BBB CE2 
1524 C CZ  . PHE A 181 ? 0.530 0.550 0.682 -0.070 0.049  -0.046 180 PHE BBB CZ  
1525 N N   . ARG A 182 ? 0.569 0.607 0.575 -0.080 -0.008 -0.003 181 ARG BBB N   
1526 C CA  . ARG A 182 ? 0.622 0.656 0.591 -0.090 -0.023 -0.002 181 ARG BBB CA  
1527 C C   . ARG A 182 ? 0.655 0.655 0.584 -0.095 -0.009 -0.014 181 ARG BBB C   
1528 O O   . ARG A 182 ? 0.710 0.686 0.590 -0.097 -0.007 -0.010 181 ARG BBB O   
1529 C CB  . ARG A 182 ? 0.626 0.679 0.613 -0.100 -0.040 -0.006 181 ARG BBB CB  
1530 C CG  . ARG A 182 ? 0.682 0.738 0.640 -0.114 -0.064 -0.009 181 ARG BBB CG  
1531 C CD  . ARG A 182 ? 0.695 0.764 0.684 -0.128 -0.071 -0.019 181 ARG BBB CD  
1532 N NE  . ARG A 182 ? 0.780 0.865 0.763 -0.145 -0.103 -0.022 181 ARG BBB NE  
1533 C CZ  . ARG A 182 ? 0.791 0.892 0.811 -0.161 -0.115 -0.032 181 ARG BBB CZ  
1534 N NH1 . ARG A 182 ? 0.776 0.874 0.835 -0.160 -0.090 -0.037 181 ARG BBB NH1 
1535 N NH2 . ARG A 182 ? 0.837 0.958 0.855 -0.179 -0.151 -0.036 181 ARG BBB NH2 
1536 N N   . TYR A 183 ? 0.632 0.625 0.577 -0.097 0.004  -0.025 182 TYR BBB N   
1537 C CA  . TYR A 183 ? 0.656 0.616 0.578 -0.100 0.025  -0.033 182 TYR BBB CA  
1538 C C   . TYR A 183 ? 0.680 0.617 0.593 -0.091 0.048  -0.027 182 TYR BBB C   
1539 O O   . TYR A 183 ? 0.739 0.637 0.604 -0.095 0.064  -0.029 182 TYR BBB O   
1540 C CB  . TYR A 183 ? 0.637 0.602 0.593 -0.096 0.034  -0.038 182 TYR BBB CB  
1541 C CG  . TYR A 183 ? 0.648 0.581 0.594 -0.097 0.061  -0.043 182 TYR BBB CG  
1542 C CD1 . TYR A 183 ? 0.701 0.600 0.601 -0.110 0.071  -0.053 182 TYR BBB CD1 
1543 C CD2 . TYR A 183 ? 0.624 0.562 0.613 -0.085 0.076  -0.037 182 TYR BBB CD2 
1544 C CE1 . TYR A 183 ? 0.736 0.597 0.627 -0.110 0.104  -0.057 182 TYR BBB CE1 
1545 C CE2 . TYR A 183 ? 0.666 0.575 0.659 -0.083 0.106  -0.037 182 TYR BBB CE2 
1546 C CZ  . TYR A 183 ? 0.713 0.579 0.655 -0.095 0.124  -0.046 182 TYR BBB CZ  
1547 O OH  . TYR A 183 ? 0.786 0.617 0.732 -0.092 0.162  -0.045 182 TYR BBB OH  
1548 N N   . ALA A 184 ? 0.622 0.619 0.628 0.005  0.034  -0.046 183 ALA BBB N   
1549 C CA  . ALA A 184 ? 0.624 0.609 0.620 0.005  0.028  -0.044 183 ALA BBB CA  
1550 C C   . ALA A 184 ? 0.646 0.633 0.650 0.010  0.021  -0.042 183 ALA BBB C   
1551 O O   . ALA A 184 ? 0.659 0.638 0.653 0.008  0.017  -0.039 183 ALA BBB O   
1552 C CB  . ALA A 184 ? 0.633 0.591 0.602 0.000  0.028  -0.045 183 ALA BBB CB  
1553 N N   . MET A 185 ? 0.689 0.688 0.716 0.016  0.020  -0.039 184 MET BBB N   
1554 C CA  . MET A 185 ? 0.757 0.760 0.796 0.016  0.006  -0.030 184 MET BBB CA  
1555 C C   . MET A 185 ? 0.757 0.748 0.775 -0.003 -0.010 -0.026 184 MET BBB C   
1556 O O   . MET A 185 ? 0.809 0.774 0.800 -0.010 -0.020 -0.025 184 MET BBB O   
1557 C CB  . MET A 185 ? 0.806 0.840 0.893 0.028  0.008  -0.012 184 MET BBB CB  
1558 C CG  . MET A 185 ? 0.921 0.935 1.005 0.054  0.030  -0.014 184 MET BBB CG  
1559 S SD  . MET A 185 ? 1.109 1.163 1.262 0.078  0.032  0.021  184 MET BBB SD  
1560 C CE  . MET A 185 ? 1.055 1.181 1.273 0.060  0.020  0.050  184 MET BBB CE  
1561 N N   . GLU A 186 ? 0.748 0.743 0.763 -0.014 -0.011 -0.023 185 GLU BBB N   
1562 C CA  . GLU A 186 ? 0.784 0.737 0.748 -0.036 -0.025 -0.020 185 GLU BBB CA  
1563 C C   . GLU A 186 ? 0.809 0.711 0.717 -0.026 -0.006 -0.032 185 GLU BBB C   
1564 O O   . GLU A 186 ? 0.896 0.740 0.743 -0.037 -0.010 -0.030 185 GLU BBB O   
1565 C CB  . GLU A 186 ? 0.804 0.764 0.767 -0.049 -0.027 -0.016 185 GLU BBB CB  
1566 C CG  . GLU A 186 ? 0.813 0.827 0.833 -0.065 -0.046 0.009  185 GLU BBB CG  
1567 C CD  . GLU A 186 ? 0.838 0.875 0.872 -0.076 -0.042 0.016  185 GLU BBB CD  
1568 O OE1 . GLU A 186 ? 0.828 0.831 0.821 -0.072 -0.028 -0.003 185 GLU BBB OE1 
1569 O OE2 . GLU A 186 ? 0.854 0.948 0.947 -0.090 -0.055 0.047  185 GLU BBB OE2 
1570 N N   . GLN A 187 ? 0.770 0.691 0.698 -0.007 0.016  -0.036 186 GLN BBB N   
1571 C CA  . GLN A 187 ? 0.804 0.699 0.706 0.010  0.041  -0.032 186 GLN BBB CA  
1572 C C   . GLN A 187 ? 0.804 0.705 0.713 0.017  0.047  -0.027 186 GLN BBB C   
1573 O O   . GLN A 187 ? 0.805 0.680 0.689 0.031  0.072  -0.016 186 GLN BBB O   
1574 C CB  . GLN A 187 ? 0.776 0.704 0.712 0.020  0.053  -0.026 186 GLN BBB CB  
1575 C CG  . GLN A 187 ? 0.820 0.734 0.741 0.015  0.052  -0.030 186 GLN BBB CG  
1576 C CD  . GLN A 187 ? 0.898 0.739 0.748 0.017  0.064  -0.030 186 GLN BBB CD  
1577 O OE1 . GLN A 187 ? 0.914 0.722 0.739 0.041  0.094  -0.020 186 GLN BBB OE1 
1578 N NE2 . GLN A 187 ? 0.925 0.734 0.736 -0.010 0.042  -0.037 186 GLN BBB NE2 
1579 N N   . GLU A 188 ? 0.785 0.716 0.725 0.010  0.029  -0.029 187 GLU BBB N   
1580 C CA  . GLU A 188 ? 0.790 0.730 0.738 0.011  0.028  -0.022 187 GLU BBB CA  
1581 C C   . GLU A 188 ? 0.788 0.715 0.728 0.003  0.008  -0.028 187 GLU BBB C   
1582 O O   . GLU A 188 ? 0.781 0.721 0.742 0.004  -0.002 -0.031 187 GLU BBB O   
1583 C CB  . GLU A 188 ? 0.805 0.778 0.784 0.008  0.023  -0.016 187 GLU BBB CB  
1584 C CG  . GLU A 188 ? 0.841 0.837 0.840 0.011  0.034  -0.001 187 GLU BBB CG  
1585 C CD  . GLU A 188 ? 0.859 0.876 0.878 0.021  0.053  0.029  187 GLU BBB CD  
1586 O OE1 . GLU A 188 ? 0.933 0.936 0.938 0.026  0.063  0.032  187 GLU BBB OE1 
1587 O OE2 . GLU A 188 ? 0.846 0.896 0.899 0.024  0.058  0.053  187 GLU BBB OE2 
1588 N N   . PRO A 189 ? 0.818 0.704 0.717 -0.005 0.003  -0.028 188 PRO BBB N   
1589 C CA  . PRO A 189 ? 0.825 0.701 0.720 -0.015 -0.022 -0.025 188 PRO BBB CA  
1590 C C   . PRO A 189 ? 0.790 0.677 0.700 -0.010 -0.023 -0.024 188 PRO BBB C   
1591 O O   . PRO A 189 ? 0.813 0.702 0.736 -0.010 -0.041 -0.021 188 PRO BBB O   
1592 C CB  . PRO A 189 ? 0.908 0.717 0.729 -0.030 -0.023 -0.023 188 PRO BBB CB  
1593 C CG  . PRO A 189 ? 0.940 0.716 0.721 -0.027 -0.001 -0.026 188 PRO BBB CG  
1594 C CD  . PRO A 189 ? 0.875 0.707 0.713 -0.004 0.023  -0.027 188 PRO BBB CD  
1595 N N   . HIS A 190 ? 0.792 0.687 0.700 -0.007 -0.006 -0.019 189 HIS BBB N   
1596 C CA  . HIS A 190 ? 0.834 0.732 0.743 -0.013 -0.014 -0.013 189 HIS BBB CA  
1597 C C   . HIS A 190 ? 0.815 0.714 0.736 -0.012 -0.027 -0.019 189 HIS BBB C   
1598 O O   . HIS A 190 ? 0.858 0.734 0.758 -0.019 -0.038 -0.016 189 HIS BBB O   
1599 C CB  . HIS A 190 ? 0.879 0.803 0.800 -0.016 0.005  0.008  189 HIS BBB CB  
1600 C CG  . HIS A 190 ? 0.953 0.858 0.850 -0.007 0.033  0.018  189 HIS BBB CG  
1601 N ND1 . HIS A 190 ? 1.020 0.867 0.861 -0.009 0.032  0.004  189 HIS BBB ND1 
1602 C CD2 . HIS A 190 ? 0.980 0.907 0.892 0.005  0.067  0.044  189 HIS BBB CD2 
1603 C CE1 . HIS A 190 ? 1.073 0.887 0.875 0.001  0.068  0.015  189 HIS BBB CE1 
1604 N NE2 . HIS A 190 ? 1.056 0.925 0.909 0.016  0.096  0.041  189 HIS BBB NE2 
1605 N N   . LEU A 191 ? 0.768 0.679 0.707 -0.003 -0.022 -0.026 190 LEU BBB N   
1606 C CA  . LEU A 191 ? 0.788 0.678 0.719 0.006  -0.021 -0.032 190 LEU BBB CA  
1607 C C   . LEU A 191 ? 0.827 0.699 0.762 0.021  -0.026 -0.030 190 LEU BBB C   
1608 O O   . LEU A 191 ? 0.894 0.723 0.799 0.031  -0.022 -0.031 190 LEU BBB O   
1609 C CB  . LEU A 191 ? 0.741 0.649 0.692 0.015  -0.007 -0.037 190 LEU BBB CB  
1610 C CG  . LEU A 191 ? 0.739 0.647 0.675 0.001  -0.005 -0.036 190 LEU BBB CG  
1611 C CD1 . LEU A 191 ? 0.718 0.646 0.673 0.007  0.008  -0.041 190 LEU BBB CD1 
1612 C CD2 . LEU A 191 ? 0.779 0.631 0.658 -0.012 -0.011 -0.035 190 LEU BBB CD2 
1613 N N   A MET A 192 ? 0.833 0.726 0.793 0.021  -0.037 -0.022 191 MET BBB N   
1614 N N   B MET A 192 ? 0.829 0.723 0.789 0.021  -0.037 -0.022 191 MET BBB N   
1615 C CA  A MET A 192 ? 0.868 0.761 0.851 0.033  -0.050 -0.007 191 MET BBB CA  
1616 C CA  B MET A 192 ? 0.861 0.755 0.845 0.033  -0.050 -0.007 191 MET BBB CA  
1617 C C   A MET A 192 ? 0.888 0.741 0.834 0.026  -0.064 -0.007 191 MET BBB C   
1618 C C   B MET A 192 ? 0.884 0.738 0.831 0.026  -0.064 -0.007 191 MET BBB C   
1619 O O   A MET A 192 ? 0.912 0.756 0.874 0.042  -0.071 0.007  191 MET BBB O   
1620 O O   B MET A 192 ? 0.909 0.752 0.870 0.042  -0.071 0.007  191 MET BBB O   
1621 C CB  A MET A 192 ? 0.891 0.814 0.903 0.019  -0.070 0.008  191 MET BBB CB  
1622 C CB  B MET A 192 ? 0.880 0.802 0.890 0.018  -0.071 0.008  191 MET BBB CB  
1623 C CG  A MET A 192 ? 0.890 0.852 0.937 0.020  -0.061 0.012  191 MET BBB CG  
1624 C CG  B MET A 192 ? 0.877 0.841 0.929 0.020  -0.066 0.017  191 MET BBB CG  
1625 S SD  A MET A 192 ? 0.917 0.892 0.994 0.056  -0.024 0.010  191 MET BBB SD  
1626 S SD  B MET A 192 ? 0.913 0.913 1.014 0.000  -0.104 0.058  191 MET BBB SD  
1627 C CE  A MET A 192 ? 0.940 0.937 1.078 0.086  -0.024 0.046  191 MET BBB CE  
1628 C CE  B MET A 192 ? 0.913 0.968 1.105 0.046  -0.081 0.088  191 MET BBB CE  
1629 N N   . LYS A 193 ? 0.977 0.782 0.871 0.102  0.018  0.184  192 LYS BBB N   
1630 C CA  . LYS A 193 ? 0.937 0.789 0.852 0.102  -0.016 0.186  192 LYS BBB CA  
1631 C C   . LYS A 193 ? 0.905 0.782 0.819 0.090  -0.048 0.184  192 LYS BBB C   
1632 O O   . LYS A 193 ? 0.925 0.801 0.822 0.092  -0.056 0.200  192 LYS BBB O   
1633 C CB  . LYS A 193 ? 0.954 0.824 0.877 0.125  -0.015 0.221  192 LYS BBB CB  
1634 C CG  . LYS A 193 ? 0.987 0.831 0.908 0.138  0.015  0.221  192 LYS BBB CG  
1635 C CD  . LYS A 193 ? 1.042 0.895 0.969 0.169  0.029  0.262  192 LYS BBB CD  
1636 C CE  . LYS A 193 ? 1.068 0.913 1.001 0.183  0.047  0.269  192 LYS BBB CE  
1637 N NZ  . LYS A 193 ? 1.112 0.987 1.067 0.215  0.057  0.313  192 LYS BBB NZ  
1638 N N   . GLY A 194 ? 0.881 0.774 0.802 0.081  -0.063 0.162  193 GLY BBB N   
1639 C CA  . GLY A 194 ? 0.870 0.774 0.782 0.071  -0.087 0.159  193 GLY BBB CA  
1640 C C   . GLY A 194 ? 0.859 0.744 0.757 0.061  -0.082 0.145  193 GLY BBB C   
1641 O O   . GLY A 194 ? 0.883 0.764 0.759 0.054  -0.097 0.151  193 GLY BBB O   
1642 N N   . THR A 195 ? 0.854 0.725 0.763 0.058  -0.059 0.125  194 THR BBB N   
1643 C CA  . THR A 195 ? 0.864 0.715 0.768 0.048  -0.044 0.109  194 THR BBB CA  
1644 C C   . THR A 195 ? 0.861 0.740 0.800 0.043  -0.042 0.072  194 THR BBB C   
1645 O O   . THR A 195 ? 0.887 0.760 0.836 0.035  -0.026 0.057  194 THR BBB O   
1646 C CB  . THR A 195 ? 0.915 0.724 0.809 0.047  -0.008 0.115  194 THR BBB CB  
1647 O OG1 . THR A 195 ? 0.885 0.695 0.811 0.040  0.016  0.092  194 THR BBB OG1 
1648 C CG2 . THR A 195 ? 0.935 0.727 0.794 0.064  -0.012 0.153  194 THR BBB CG2 
1649 N N   . TRP A 196 ? 0.821 0.732 0.776 0.050  -0.058 0.058  195 TRP BBB N   
1650 C CA  . TRP A 196 ? 0.812 0.766 0.801 0.053  -0.067 0.020  195 TRP BBB CA  
1651 C C   . TRP A 196 ? 0.870 0.830 0.903 0.031  -0.039 -0.014 195 TRP BBB C   
1652 O O   . TRP A 196 ? 0.849 0.857 0.926 0.027  -0.044 -0.049 195 TRP BBB O   
1653 C CB  . TRP A 196 ? 0.768 0.737 0.749 0.064  -0.080 0.019  195 TRP BBB CB  
1654 C CG  . TRP A 196 ? 0.729 0.694 0.670 0.085  -0.103 0.037  195 TRP BBB CG  
1655 C CD1 . TRP A 196 ? 0.725 0.717 0.659 0.111  -0.121 0.024  195 TRP BBB CD1 
1656 C CD2 . TRP A 196 ? 0.710 0.640 0.612 0.083  -0.106 0.070  195 TRP BBB CD2 
1657 N NE1 . TRP A 196 ? 0.733 0.694 0.619 0.125  -0.126 0.049  195 TRP BBB NE1 
1658 C CE2 . TRP A 196 ? 0.721 0.649 0.595 0.104  -0.118 0.075  195 TRP BBB CE2 
1659 C CE3 . TRP A 196 ? 0.720 0.622 0.607 0.067  -0.101 0.095  195 TRP BBB CE3 
1660 C CZ2 . TRP A 196 ? 0.737 0.633 0.578 0.100  -0.118 0.100  195 TRP BBB CZ2 
1661 C CZ3 . TRP A 196 ? 0.730 0.619 0.592 0.064  -0.112 0.117  195 TRP BBB CZ3 
1662 C CH2 . TRP A 196 ? 0.741 0.626 0.585 0.076  -0.117 0.118  195 TRP BBB CH2 
1663 N N   . MET A 197 ? 0.988 0.903 1.012 0.019  -0.009 -0.003 196 MET BBB N   
1664 C CA  . MET A 197 ? 1.082 0.979 1.140 -0.007 0.033  -0.033 196 MET BBB CA  
1665 C C   . MET A 197 ? 1.125 1.016 1.186 -0.014 0.040  -0.052 196 MET BBB C   
1666 O O   . MET A 197 ? 1.175 1.015 1.198 -0.005 0.057  -0.022 196 MET BBB O   
1667 C CB  . MET A 197 ? 1.142 0.970 1.167 -0.009 0.073  -0.003 196 MET BBB CB  
1668 C CG  . MET A 197 ? 1.223 1.027 1.281 -0.035 0.123  -0.031 196 MET BBB CG  
1669 S SD  . MET A 197 ? 1.204 1.054 1.303 -0.039 0.117  -0.050 196 MET BBB SD  
1670 C CE  . MET A 197 ? 1.247 1.020 1.263 -0.018 0.129  0.003  196 MET BBB CE  
1671 N N   . THR A 198 ? 1.168 1.111 1.270 -0.026 0.023  -0.099 197 THR BBB N   
1672 C CA  . THR A 198 ? 1.233 1.167 1.334 -0.038 0.030  -0.129 197 THR BBB CA  
1673 C C   . THR A 198 ? 1.307 1.192 1.431 -0.076 0.088  -0.155 197 THR BBB C   
1674 O O   . THR A 198 ? 1.302 1.193 1.465 -0.095 0.113  -0.166 197 THR BBB O   
1675 C CB  . THR A 198 ? 1.243 1.253 1.368 -0.033 -0.016 -0.173 197 THR BBB CB  
1676 O OG1 . THR A 198 ? 1.352 1.336 1.454 -0.042 -0.011 -0.197 197 THR BBB OG1 
1677 C CG2 . THR A 198 ? 1.230 1.315 1.432 -0.056 -0.023 -0.223 197 THR BBB CG2 
1678 N N   . SER A 199 ? 1.116 1.162 1.199 -0.035 0.063  -0.017 198 SER BBB N   
1679 C CA  . SER A 199 ? 1.089 1.133 1.169 -0.024 0.051  -0.026 198 SER BBB CA  
1680 C C   . SER A 199 ? 1.070 1.095 1.129 -0.023 0.039  -0.023 198 SER BBB C   
1681 O O   . SER A 199 ? 1.054 1.074 1.117 -0.022 0.027  -0.026 198 SER BBB O   
1682 C CB  . SER A 199 ? 1.112 1.162 1.183 -0.013 0.059  -0.033 198 SER BBB CB  
1683 O OG  . SER A 199 ? 1.116 1.195 1.215 -0.009 0.067  -0.036 198 SER BBB OG  
1684 N N   . GLU A 200 ? 1.083 1.103 1.122 -0.024 0.043  -0.014 199 GLU BBB N   
1685 C CA  . GLU A 200 ? 1.122 1.139 1.145 -0.023 0.032  -0.007 199 GLU BBB CA  
1686 C C   . GLU A 200 ? 1.097 1.111 1.135 -0.023 0.026  -0.001 199 GLU BBB C   
1687 O O   . GLU A 200 ? 1.073 1.092 1.112 -0.024 0.013  -0.002 199 GLU BBB O   
1688 C CB  . GLU A 200 ? 1.199 1.217 1.200 -0.020 0.039  0.006  199 GLU BBB CB  
1689 C CG  . GLU A 200 ? 1.257 1.288 1.241 -0.018 0.027  0.014  199 GLU BBB CG  
1690 C CD  . GLU A 200 ? 1.342 1.379 1.303 -0.010 0.033  0.031  199 GLU BBB CD  
1691 O OE1 . GLU A 200 ? 1.399 1.426 1.351 -0.010 0.048  0.033  199 GLU BBB OE1 
1692 O OE2 . GLU A 200 ? 1.361 1.416 1.314 -0.004 0.024  0.044  199 GLU BBB OE2 
1693 N N   . VAL A 201 ? 1.064 1.069 1.110 -0.025 0.035  0.003  200 VAL BBB N   
1694 C CA  . VAL A 201 ? 1.016 1.010 1.067 -0.023 0.033  0.007  200 VAL BBB CA  
1695 C C   . VAL A 201 ? 0.960 0.959 1.028 -0.028 0.024  -0.004 200 VAL BBB C   
1696 O O   . VAL A 201 ? 0.911 0.910 0.980 -0.024 0.017  -0.002 200 VAL BBB O   
1697 C CB  . VAL A 201 ? 1.039 1.008 1.083 -0.026 0.048  0.013  200 VAL BBB CB  
1698 C CG1 . VAL A 201 ? 1.054 1.003 1.097 -0.025 0.048  0.012  200 VAL BBB CG1 
1699 C CG2 . VAL A 201 ? 1.062 1.021 1.085 -0.018 0.058  0.029  200 VAL BBB CG2 
1700 N N   . LEU A 202 ? 0.936 0.944 1.017 -0.033 0.025  -0.013 201 LEU BBB N   
1701 C CA  . LEU A 202 ? 0.921 0.940 1.018 -0.034 0.015  -0.021 201 LEU BBB CA  
1702 C C   . LEU A 202 ? 0.915 0.931 1.005 -0.028 0.004  -0.021 201 LEU BBB C   
1703 O O   . LEU A 202 ? 0.918 0.932 1.010 -0.028 -0.003 -0.020 201 LEU BBB O   
1704 C CB  . LEU A 202 ? 0.943 0.981 1.057 -0.034 0.019  -0.028 201 LEU BBB CB  
1705 C CG  . LEU A 202 ? 0.963 1.016 1.092 -0.030 0.009  -0.032 201 LEU BBB CG  
1706 C CD1 . LEU A 202 ? 0.979 1.035 1.114 -0.041 0.004  -0.034 201 LEU BBB CD1 
1707 C CD2 . LEU A 202 ? 0.952 1.033 1.099 -0.024 0.014  -0.036 201 LEU BBB CD2 
1708 N N   . SER A 203 ? 0.913 0.926 0.990 -0.026 0.005  -0.022 202 SER BBB N   
1709 C CA  . SER A 203 ? 0.925 0.931 0.989 -0.027 -0.005 -0.023 202 SER BBB CA  
1710 C C   . SER A 203 ? 0.888 0.900 0.951 -0.032 -0.012 -0.014 202 SER BBB C   
1711 O O   . SER A 203 ? 0.892 0.902 0.956 -0.035 -0.019 -0.014 202 SER BBB O   
1712 C CB  . SER A 203 ? 0.960 0.960 1.004 -0.029 -0.002 -0.028 202 SER BBB CB  
1713 O OG  . SER A 203 ? 1.049 1.035 1.075 -0.036 -0.012 -0.032 202 SER BBB OG  
1714 N N   . TRP A 204 ? 0.850 0.872 0.910 -0.029 -0.007 -0.005 203 TRP BBB N   
1715 C CA  . TRP A 204 ? 0.839 0.875 0.900 -0.026 -0.010 0.007  203 TRP BBB CA  
1716 C C   . TRP A 204 ? 0.820 0.851 0.892 -0.024 -0.010 0.006  203 TRP BBB C   
1717 O O   . TRP A 204 ? 0.831 0.873 0.905 -0.025 -0.015 0.011  203 TRP BBB O   
1718 C CB  . TRP A 204 ? 0.874 0.915 0.928 -0.016 -0.002 0.019  203 TRP BBB CB  
1719 C CG  . TRP A 204 ? 0.884 0.947 0.940 -0.007 -0.004 0.033  203 TRP BBB CG  
1720 C CD1 . TRP A 204 ? 0.890 0.989 0.945 -0.007 -0.012 0.044  203 TRP BBB CD1 
1721 C CD2 . TRP A 204 ? 0.895 0.952 0.956 0.004  0.003  0.038  203 TRP BBB CD2 
1722 N NE1 . TRP A 204 ? 0.921 1.043 0.984 0.005  -0.009 0.057  203 TRP BBB NE1 
1723 C CE2 . TRP A 204 ? 0.917 1.010 0.981 0.014  0.001  0.054  203 TRP BBB CE2 
1724 C CE3 . TRP A 204 ? 0.894 0.923 0.954 0.005  0.011  0.030  203 TRP BBB CE3 
1725 C CZ2 . TRP A 204 ? 0.930 1.027 0.996 0.030  0.009  0.062  203 TRP BBB CZ2 
1726 C CZ3 . TRP A 204 ? 0.901 0.927 0.958 0.018  0.017  0.036  203 TRP BBB CZ3 
1727 C CH2 . TRP A 204 ? 0.916 0.975 0.976 0.032  0.018  0.052  203 TRP BBB CH2 
1728 N N   . LEU A 205 ? 0.797 0.813 0.872 -0.022 -0.003 -0.000 204 LEU BBB N   
1729 C CA  . LEU A 205 ? 0.803 0.812 0.881 -0.022 -0.003 -0.003 204 LEU BBB CA  
1730 C C   . LEU A 205 ? 0.790 0.804 0.874 -0.026 -0.014 -0.007 204 LEU BBB C   
1731 O O   . LEU A 205 ? 0.754 0.772 0.836 -0.024 -0.016 -0.003 204 LEU BBB O   
1732 C CB  . LEU A 205 ? 0.809 0.805 0.889 -0.027 0.004  -0.011 204 LEU BBB CB  
1733 C CG  . LEU A 205 ? 0.813 0.804 0.892 -0.031 0.001  -0.018 204 LEU BBB CG  
1734 C CD1 . LEU A 205 ? 0.812 0.790 0.875 -0.023 0.006  -0.013 204 LEU BBB CD1 
1735 C CD2 . LEU A 205 ? 0.841 0.824 0.922 -0.044 0.006  -0.027 204 LEU BBB CD2 
1736 N N   . GLN A 206 ? 0.807 0.820 0.894 -0.028 -0.017 -0.012 205 GLN BBB N   
1737 C CA  . GLN A 206 ? 0.851 0.860 0.938 -0.028 -0.025 -0.014 205 GLN BBB CA  
1738 C C   . GLN A 206 ? 0.837 0.845 0.916 -0.034 -0.030 -0.006 205 GLN BBB C   
1739 O O   . GLN A 206 ? 0.852 0.857 0.929 -0.034 -0.034 -0.002 205 GLN BBB O   
1740 C CB  . GLN A 206 ? 0.906 0.906 0.992 -0.024 -0.024 -0.020 205 GLN BBB CB  
1741 C CG  . GLN A 206 ? 0.949 0.948 1.041 -0.015 -0.027 -0.022 205 GLN BBB CG  
1742 C CD  . GLN A 206 ? 0.916 0.940 1.026 -0.013 -0.026 -0.025 205 GLN BBB CD  
1743 O OE1 . GLN A 206 ? 0.978 1.013 1.097 -0.013 -0.018 -0.029 205 GLN BBB OE1 
1744 N NE2 . GLN A 206 ? 0.920 0.954 1.034 -0.013 -0.032 -0.023 205 GLN BBB NE2 
1745 N N   . GLN A 207 ? 0.847 0.863 0.921 -0.040 -0.030 -0.003 206 GLN BBB N   
1746 C CA  . GLN A 207 ? 0.860 0.887 0.929 -0.051 -0.035 0.006  206 GLN BBB CA  
1747 C C   . GLN A 207 ? 0.844 0.890 0.921 -0.046 -0.032 0.015  206 GLN BBB C   
1748 O O   . GLN A 207 ? 0.825 0.875 0.901 -0.053 -0.035 0.021  206 GLN BBB O   
1749 C CB  . GLN A 207 ? 0.896 0.940 0.960 -0.058 -0.037 0.008  206 GLN BBB CB  
1750 C CG  . GLN A 207 ? 0.927 0.948 0.975 -0.065 -0.040 -0.004 206 GLN BBB CG  
1751 C CD  . GLN A 207 ? 0.973 1.010 1.009 -0.075 -0.044 -0.003 206 GLN BBB CD  
1752 O OE1 . GLN A 207 ? 1.016 1.043 1.040 -0.071 -0.040 -0.010 206 GLN BBB OE1 
1753 N NE2 . GLN A 207 ? 0.987 1.056 1.026 -0.088 -0.051 0.006  206 GLN BBB NE2 
1754 N N   . ALA A 208 ? 0.814 0.868 0.895 -0.033 -0.025 0.017  207 ALA BBB N   
1755 C CA  . ALA A 208 ? 0.801 0.867 0.883 -0.023 -0.018 0.025  207 ALA BBB CA  
1756 C C   . ALA A 208 ? 0.798 0.851 0.876 -0.023 -0.019 0.021  207 ALA BBB C   
1757 O O   . ALA A 208 ? 0.819 0.885 0.895 -0.022 -0.017 0.029  207 ALA BBB O   
1758 C CB  . ALA A 208 ? 0.802 0.858 0.879 -0.009 -0.007 0.025  207 ALA BBB CB  
1759 N N   . ILE A 209 ? 0.788 0.821 0.865 -0.025 -0.022 0.010  208 ILE BBB N   
1760 C CA  . ILE A 209 ? 0.790 0.817 0.861 -0.024 -0.026 0.006  208 ILE BBB CA  
1761 C C   . ILE A 209 ? 0.793 0.818 0.861 -0.031 -0.033 0.014  208 ILE BBB C   
1762 O O   . ILE A 209 ? 0.790 0.818 0.850 -0.030 -0.033 0.020  208 ILE BBB O   
1763 C CB  . ILE A 209 ? 0.787 0.805 0.862 -0.024 -0.030 -0.005 208 ILE BBB CB  
1764 C CG1 . ILE A 209 ? 0.790 0.802 0.863 -0.025 -0.022 -0.012 208 ILE BBB CG1 
1765 C CG2 . ILE A 209 ? 0.800 0.821 0.871 -0.023 -0.037 -0.005 208 ILE BBB CG2 
1766 C CD1 . ILE A 209 ? 0.773 0.788 0.856 -0.030 -0.024 -0.021 208 ILE BBB CD1 
1767 N N   . GLY A 210 ? 0.824 0.841 0.894 -0.038 -0.036 0.014  209 GLY BBB N   
1768 C CA  . GLY A 210 ? 0.879 0.882 0.939 -0.048 -0.041 0.021  209 GLY BBB CA  
1769 C C   . GLY A 210 ? 0.909 0.933 0.969 -0.057 -0.038 0.033  209 GLY BBB C   
1770 O O   . GLY A 210 ? 0.964 0.980 1.015 -0.060 -0.038 0.041  209 GLY BBB O   
1771 N N   . VAL A 211 ? 0.908 0.962 0.978 -0.059 -0.034 0.037  210 VAL BBB N   
1772 C CA  . VAL A 211 ? 0.928 1.018 1.005 -0.065 -0.030 0.051  210 VAL BBB CA  
1773 C C   . VAL A 211 ? 0.966 1.059 1.037 -0.051 -0.023 0.055  210 VAL BBB C   
1774 O O   . VAL A 211 ? 1.029 1.132 1.095 -0.059 -0.020 0.066  210 VAL BBB O   
1775 C CB  . VAL A 211 ? 0.902 1.030 0.992 -0.061 -0.027 0.056  210 VAL BBB CB  
1776 C CG1 . VAL A 211 ? 0.898 1.073 0.998 -0.059 -0.020 0.072  210 VAL BBB CG1 
1777 C CG2 . VAL A 211 ? 0.894 1.024 0.985 -0.078 -0.036 0.053  210 VAL BBB CG2 
1778 N N   . MET A 212 ? 0.967 1.049 1.034 -0.034 -0.019 0.045  211 MET BBB N   
1779 C CA  . MET A 212 ? 0.959 1.039 1.012 -0.021 -0.011 0.044  211 MET BBB CA  
1780 C C   . MET A 212 ? 0.986 1.052 1.026 -0.027 -0.017 0.046  211 MET BBB C   
1781 O O   . MET A 212 ? 1.023 1.101 1.052 -0.024 -0.011 0.054  211 MET BBB O   
1782 C CB  . MET A 212 ? 0.942 1.000 0.988 -0.011 -0.009 0.029  211 MET BBB CB  
1783 C CG  . MET A 212 ? 0.961 1.011 0.986 -0.001 -0.001 0.024  211 MET BBB CG  
1784 S SD  . MET A 212 ? 0.966 0.982 0.976 0.002  0.002  0.004  211 MET BBB SD  
1785 C CE  . MET A 212 ? 0.933 0.948 0.957 -0.012 -0.016 -0.003 211 MET BBB CE  
1786 N N   . MET A 213 ? 1.024 1.068 1.063 -0.032 -0.028 0.041  212 MET BBB N   
1787 C CA  . MET A 213 ? 1.115 1.144 1.139 -0.031 -0.034 0.046  212 MET BBB CA  
1788 C C   . MET A 213 ? 1.185 1.214 1.202 -0.043 -0.031 0.063  212 MET BBB C   
1789 O O   . MET A 213 ? 1.162 1.190 1.163 -0.040 -0.030 0.072  212 MET BBB O   
1790 C CB  . MET A 213 ? 1.122 1.131 1.150 -0.028 -0.043 0.040  212 MET BBB CB  
1791 C CG  . MET A 213 ? 1.108 1.122 1.147 -0.021 -0.046 0.025  212 MET BBB CG  
1792 S SD  . MET A 213 ? 1.102 1.127 1.130 -0.014 -0.053 0.019  212 MET BBB SD  
1793 C CE  . MET A 213 ? 1.149 1.181 1.162 -0.015 -0.043 0.016  212 MET BBB CE  
1794 N N   . ARG A 214 ? 1.275 1.307 1.303 -0.058 -0.030 0.067  213 ARG BBB N   
1795 C CA  . ARG A 214 ? 1.351 1.378 1.372 -0.078 -0.028 0.082  213 ARG BBB CA  
1796 C C   . ARG A 214 ? 1.365 1.436 1.393 -0.083 -0.018 0.095  213 ARG BBB C   
1797 O O   . ARG A 214 ? 1.448 1.517 1.464 -0.096 -0.014 0.110  213 ARG BBB O   
1798 C CB  . ARG A 214 ? 1.380 1.394 1.406 -0.098 -0.033 0.078  213 ARG BBB CB  
1799 C CG  . ARG A 214 ? 1.461 1.419 1.469 -0.097 -0.038 0.072  213 ARG BBB CG  
1800 C CD  . ARG A 214 ? 1.503 1.451 1.518 -0.093 -0.042 0.056  213 ARG BBB CD  
1801 N NE  . ARG A 214 ? 1.540 1.506 1.562 -0.116 -0.044 0.054  213 ARG BBB NE  
1802 C CZ  . ARG A 214 ? 1.523 1.482 1.545 -0.118 -0.047 0.042  213 ARG BBB CZ  
1803 N NH1 . ARG A 214 ? 1.485 1.421 1.504 -0.099 -0.047 0.030  213 ARG BBB NH1 
1804 N NH2 . ARG A 214 ? 1.539 1.522 1.565 -0.141 -0.050 0.042  213 ARG BBB NH2 
1805 N N   . GLN A 215 ? 1.521 1.514 1.518 0.041  0.008  0.082  214 GLN BBB N   
1806 C CA  . GLN A 215 ? 1.549 1.520 1.561 0.022  -0.006 0.069  214 GLN BBB CA  
1807 C C   . GLN A 215 ? 1.559 1.507 1.625 -0.003 -0.011 0.059  214 GLN BBB C   
1808 O O   . GLN A 215 ? 1.562 1.509 1.708 -0.004 -0.004 0.076  214 GLN BBB O   
1809 C CB  . GLN A 215 ? 1.564 1.558 1.580 0.046  0.005  0.104  214 GLN BBB CB  
1810 C CG  . GLN A 215 ? 1.613 1.653 1.556 0.093  -0.009 0.089  214 GLN BBB CG  
1811 C CD  . GLN A 215 ? 1.643 1.712 1.578 0.124  -0.007 0.120  214 GLN BBB CD  
1812 O OE1 . GLN A 215 ? 1.613 1.656 1.614 0.100  0.005  0.152  214 GLN BBB OE1 
1813 N NE2 . GLN A 215 ? 1.707 1.838 1.567 0.189  -0.028 0.102  214 GLN BBB NE2 
1814 N N   . ALA A 216 ? 1.597 1.538 1.638 -0.011 -0.023 0.033  215 ALA BBB N   
1815 C CA  . ALA A 216 ? 1.605 1.553 1.657 -0.006 -0.038 0.008  215 ALA BBB CA  
1816 C C   . ALA A 216 ? 1.613 1.564 1.659 -0.002 -0.043 0.007  215 ALA BBB C   
1817 O O   . ALA A 216 ? 1.629 1.598 1.697 0.014  -0.067 -0.024 215 ALA BBB O   
1818 C CB  . ALA A 216 ? 1.596 1.547 1.731 -0.003 -0.054 -0.017 215 ALA BBB CB  
1819 N N   . GLN A 217 ? 1.588 1.531 1.617 -0.009 -0.030 0.028  216 GLN BBB N   
1820 C CA  . GLN A 217 ? 1.578 1.524 1.610 -0.007 -0.032 0.032  216 GLN BBB CA  
1821 C C   . GLN A 217 ? 1.591 1.551 1.605 0.007  -0.027 0.050  216 GLN BBB C   
1822 O O   . GLN A 217 ? 1.573 1.529 1.614 0.003  -0.012 0.069  216 GLN BBB O   
1823 C CB  . GLN A 217 ? 1.572 1.514 1.613 -0.009 -0.022 0.035  216 GLN BBB CB  
1824 C CG  . GLN A 217 ? 1.565 1.507 1.628 -0.009 -0.024 0.036  216 GLN BBB CG  
1825 C CD  . GLN A 217 ? 1.551 1.506 1.623 0.001  -0.016 0.025  216 GLN BBB CD  
1826 O OE1 . GLN A 217 ? 1.533 1.504 1.600 0.014  0.002  0.039  216 GLN BBB OE1 
1827 N NE2 . GLN A 217 ? 1.535 1.494 1.640 0.006  -0.027 0.001  216 GLN BBB NE2 
1828 N N   . GLY B 1   ? 1.289 1.253 1.261 0.022  -0.077 -0.100 0   GLY CCC N   
1829 C CA  . GLY B 1   ? 1.292 1.258 1.248 0.026  -0.073 -0.083 0   GLY CCC CA  
1830 C C   . GLY B 1   ? 1.291 1.229 1.243 0.025  -0.070 -0.067 0   GLY CCC C   
1831 O O   . GLY B 1   ? 1.258 1.173 1.216 0.022  -0.072 -0.069 0   GLY CCC O   
1832 N N   . MET B 2   ? 1.296 1.234 1.236 0.026  -0.063 -0.052 1   MET CCC N   
1833 C CA  . MET B 2   ? 1.276 1.187 1.211 0.024  -0.057 -0.039 1   MET CCC CA  
1834 C C   . MET B 2   ? 1.228 1.124 1.163 0.019  -0.056 -0.042 1   MET CCC C   
1835 O O   . MET B 2   ? 1.194 1.074 1.133 0.015  -0.058 -0.042 1   MET CCC O   
1836 C CB  . MET B 2   ? 1.306 1.218 1.232 0.028  -0.046 -0.023 1   MET CCC CB  
1837 C CG  . MET B 2   ? 1.335 1.220 1.257 0.025  -0.037 -0.013 1   MET CCC CG  
1838 S SD  . MET B 2   ? 1.391 1.273 1.307 0.033  -0.019 0.008  1   MET CCC SD  
1839 C CE  . MET B 2   ? 1.376 1.262 1.287 0.030  -0.011 0.008  1   MET CCC CE  
1840 N N   . TYR B 3   ? 1.181 1.087 1.112 0.018  -0.053 -0.045 2   TYR CCC N   
1841 C CA  . TYR B 3   ? 1.157 1.058 1.086 0.012  -0.052 -0.048 2   TYR CCC CA  
1842 C C   . TYR B 3   ? 1.143 1.046 1.084 0.014  -0.061 -0.056 2   TYR CCC C   
1843 O O   . TYR B 3   ? 1.096 0.997 1.038 0.010  -0.060 -0.054 2   TYR CCC O   
1844 C CB  . TYR B 3   ? 1.174 1.089 1.097 0.011  -0.047 -0.049 2   TYR CCC CB  
1845 C CG  . TYR B 3   ? 1.223 1.129 1.137 0.007  -0.033 -0.038 2   TYR CCC CG  
1846 C CD1 . TYR B 3   ? 1.249 1.160 1.160 0.014  -0.027 -0.027 2   TYR CCC CD1 
1847 C CD2 . TYR B 3   ? 1.249 1.142 1.158 -0.004 -0.023 -0.038 2   TYR CCC CD2 
1848 C CE1 . TYR B 3   ? 1.268 1.166 1.173 0.012  -0.010 -0.014 2   TYR CCC CE1 
1849 C CE2 . TYR B 3   ? 1.283 1.162 1.187 -0.009 -0.006 -0.030 2   TYR CCC CE2 
1850 C CZ  . TYR B 3   ? 1.301 1.179 1.204 0.000  0.001  -0.017 2   TYR CCC CZ  
1851 O OH  . TYR B 3   ? 1.363 1.222 1.263 -0.002 0.021  -0.005 2   TYR CCC OH  
1852 N N   . ASP B 4   ? 1.183 1.091 1.133 0.020  -0.067 -0.063 3   ASP CCC N   
1853 C CA  . ASP B 4   ? 1.205 1.110 1.171 0.024  -0.071 -0.070 3   ASP CCC CA  
1854 C C   . ASP B 4   ? 1.167 1.054 1.139 0.022  -0.073 -0.063 3   ASP CCC C   
1855 O O   . ASP B 4   ? 1.163 1.046 1.144 0.025  -0.073 -0.060 3   ASP CCC O   
1856 C CB  . ASP B 4   ? 1.234 1.148 1.209 0.027  -0.074 -0.085 3   ASP CCC CB  
1857 C CG  . ASP B 4   ? 1.243 1.180 1.213 0.029  -0.073 -0.092 3   ASP CCC CG  
1858 O OD1 . ASP B 4   ? 1.278 1.220 1.250 0.032  -0.073 -0.094 3   ASP CCC OD1 
1859 O OD2 . ASP B 4   ? 1.243 1.197 1.207 0.029  -0.073 -0.095 3   ASP CCC OD2 
1860 N N   . ARG B 5   ? 1.146 1.025 1.113 0.019  -0.072 -0.058 4   ARG CCC N   
1861 C CA  . ARG B 5   ? 1.153 1.017 1.125 0.017  -0.073 -0.051 4   ARG CCC CA  
1862 C C   . ARG B 5   ? 1.104 0.966 1.069 0.013  -0.070 -0.041 4   ARG CCC C   
1863 O O   . ARG B 5   ? 1.091 0.948 1.062 0.012  -0.071 -0.035 4   ARG CCC O   
1864 C CB  . ARG B 5   ? 1.209 1.071 1.179 0.016  -0.073 -0.049 4   ARG CCC CB  
1865 C CG  . ARG B 5   ? 1.256 1.127 1.236 0.017  -0.076 -0.062 4   ARG CCC CG  
1866 C CD  . ARG B 5   ? 1.283 1.158 1.262 0.014  -0.077 -0.060 4   ARG CCC CD  
1867 N NE  . ARG B 5   ? 1.303 1.195 1.269 0.017  -0.074 -0.054 4   ARG CCC NE  
1868 C CZ  . ARG B 5   ? 1.312 1.196 1.267 0.018  -0.069 -0.039 4   ARG CCC CZ  
1869 N NH1 . ARG B 5   ? 1.286 1.150 1.241 0.015  -0.068 -0.032 4   ARG CCC NH1 
1870 N NH2 . ARG B 5   ? 1.329 1.229 1.276 0.023  -0.064 -0.031 4   ARG CCC NH2 
1871 N N   . TRP B 6   ? 1.036 0.905 0.989 0.009  -0.065 -0.041 5   TRP CCC N   
1872 C CA  . TRP B 6   ? 0.987 0.855 0.931 0.000  -0.058 -0.037 5   TRP CCC CA  
1873 C C   . TRP B 6   ? 0.962 0.849 0.907 -0.003 -0.058 -0.039 5   TRP CCC C   
1874 O O   . TRP B 6   ? 0.953 0.847 0.895 -0.011 -0.055 -0.037 5   TRP CCC O   
1875 C CB  . TRP B 6   ? 0.957 0.816 0.889 -0.004 -0.048 -0.036 5   TRP CCC CB  
1876 C CG  . TRP B 6   ? 0.944 0.790 0.876 -0.002 -0.046 -0.029 5   TRP CCC CG  
1877 C CD1 . TRP B 6   ? 0.944 0.789 0.877 0.005  -0.048 -0.026 5   TRP CCC CD1 
1878 C CD2 . TRP B 6   ? 0.936 0.771 0.866 -0.009 -0.040 -0.026 5   TRP CCC CD2 
1879 N NE1 . TRP B 6   ? 0.938 0.772 0.870 0.005  -0.044 -0.019 5   TRP CCC NE1 
1880 C CE2 . TRP B 6   ? 0.926 0.752 0.856 -0.003 -0.039 -0.019 5   TRP CCC CE2 
1881 C CE3 . TRP B 6   ? 0.909 0.747 0.836 -0.019 -0.036 -0.029 5   TRP CCC CE3 
1882 C CZ2 . TRP B 6   ? 0.907 0.723 0.836 -0.006 -0.034 -0.015 5   TRP CCC CZ2 
1883 C CZ3 . TRP B 6   ? 0.911 0.741 0.837 -0.023 -0.030 -0.027 5   TRP CCC CZ3 
1884 C CH2 . TRP B 6   ? 0.908 0.724 0.835 -0.016 -0.029 -0.020 5   TRP CCC CH2 
1885 N N   . PHE B 7   ? 0.958 0.856 0.906 0.002  -0.061 -0.044 6   PHE CCC N   
1886 C CA  . PHE B 7   ? 0.942 0.864 0.890 0.001  -0.061 -0.046 6   PHE CCC CA  
1887 C C   . PHE B 7   ? 0.944 0.872 0.906 0.014  -0.067 -0.045 6   PHE CCC C   
1888 O O   . PHE B 7   ? 0.976 0.892 0.945 0.020  -0.069 -0.049 6   PHE CCC O   
1889 C CB  . PHE B 7   ? 0.915 0.845 0.852 -0.006 -0.055 -0.052 6   PHE CCC CB  
1890 C CG  . PHE B 7   ? 0.901 0.819 0.826 -0.019 -0.044 -0.053 6   PHE CCC CG  
1891 C CD1 . PHE B 7   ? 0.890 0.787 0.811 -0.017 -0.039 -0.050 6   PHE CCC CD1 
1892 C CD2 . PHE B 7   ? 0.883 0.816 0.803 -0.032 -0.036 -0.057 6   PHE CCC CD2 
1893 C CE1 . PHE B 7   ? 0.891 0.773 0.804 -0.027 -0.025 -0.049 6   PHE CCC CE1 
1894 C CE2 . PHE B 7   ? 0.889 0.808 0.801 -0.046 -0.022 -0.061 6   PHE CCC CE2 
1895 C CZ  . PHE B 7   ? 0.892 0.782 0.801 -0.042 -0.016 -0.055 6   PHE CCC CZ  
1896 N N   . SER B 8   ? 0.885 0.876 0.903 -0.023 0.041  -0.064 7   SER CCC N   
1897 C CA  . SER B 8   ? 0.939 0.919 0.965 -0.024 0.047  -0.061 7   SER CCC CA  
1898 C C   . SER B 8   ? 0.980 0.967 1.011 -0.015 0.048  -0.059 7   SER CCC C   
1899 O O   . SER B 8   ? 0.975 0.971 0.999 -0.010 0.040  -0.054 7   SER CCC O   
1900 C CB  . SER B 8   ? 0.935 0.897 0.959 -0.029 0.045  -0.043 7   SER CCC CB  
1901 O OG  . SER B 8   ? 0.920 0.888 0.943 -0.026 0.035  -0.026 7   SER CCC OG  
1902 N N   . GLN B 9   ? 1.051 1.026 1.090 -0.013 0.060  -0.062 8   GLN CCC N   
1903 C CA  . GLN B 9   ? 1.087 1.063 1.130 -0.006 0.069  -0.063 8   GLN CCC CA  
1904 C C   . GLN B 9   ? 1.050 1.038 1.108 0.002  0.062  -0.042 8   GLN CCC C   
1905 O O   . GLN B 9   ? 1.026 1.024 1.080 0.004  0.062  -0.043 8   GLN CCC O   
1906 C CB  . GLN B 9   ? 1.163 1.115 1.210 -0.005 0.091  -0.071 8   GLN CCC CB  
1907 C CG  . GLN B 9   ? 1.232 1.174 1.255 -0.021 0.098  -0.095 8   GLN CCC CG  
1908 C CD  . GLN B 9   ? 1.273 1.236 1.277 -0.029 0.088  -0.107 8   GLN CCC CD  
1909 O OE1 . GLN B 9   ? 1.298 1.284 1.296 -0.038 0.073  -0.113 8   GLN CCC OE1 
1910 N NE2 . GLN B 9   ? 1.296 1.256 1.292 -0.026 0.095  -0.107 8   GLN CCC NE2 
1911 N N   . GLN B 10  ? 1.061 1.048 1.134 0.004  0.056  -0.024 9   GLN CCC N   
1912 C CA  . GLN B 10  ? 1.088 1.093 1.177 0.005  0.045  -0.000 9   GLN CCC CA  
1913 C C   . GLN B 10  ? 1.067 1.081 1.131 -0.005 0.033  -0.002 9   GLN CCC C   
1914 O O   . GLN B 10  ? 1.064 1.094 1.134 -0.007 0.030  0.007  9   GLN CCC O   
1915 C CB  . GLN B 10  ? 1.139 1.141 1.238 0.003  0.035  0.021  9   GLN CCC CB  
1916 C CG  . GLN B 10  ? 1.194 1.224 1.317 0.002  0.020  0.049  9   GLN CCC CG  
1917 C CD  . GLN B 10  ? 1.261 1.290 1.392 -0.002 0.005  0.075  9   GLN CCC CD  
1918 O OE1 . GLN B 10  ? 1.317 1.315 1.433 -0.003 0.009  0.072  9   GLN CCC OE1 
1919 N NE2 . GLN B 10  ? 1.265 1.327 1.416 -0.008 -0.013 0.103  9   GLN CCC NE2 
1920 N N   . GLU B 11  ? 1.026 1.027 1.063 -0.012 0.028  -0.012 10  GLU CCC N   
1921 C CA  . GLU B 11  ? 1.002 0.999 1.012 -0.019 0.021  -0.014 10  GLU CCC CA  
1922 C C   . GLU B 11  ? 0.995 0.996 0.997 -0.011 0.025  -0.024 10  GLU CCC C   
1923 O O   . GLU B 11  ? 0.987 0.984 0.971 -0.016 0.021  -0.019 10  GLU CCC O   
1924 C CB  . GLU B 11  ? 0.971 0.954 0.964 -0.023 0.022  -0.024 10  GLU CCC CB  
1925 C CG  . GLU B 11  ? 0.960 0.930 0.942 -0.038 0.018  -0.013 10  GLU CCC CG  
1926 C CD  . GLU B 11  ? 0.966 0.919 0.932 -0.044 0.026  -0.026 10  GLU CCC CD  
1927 O OE1 . GLU B 11  ? 0.942 0.904 0.920 -0.034 0.034  -0.041 10  GLU CCC OE1 
1928 O OE2 . GLU B 11  ? 0.978 0.911 0.919 -0.062 0.026  -0.020 10  GLU CCC OE2 
1929 N N   . LEU B 12  ? 0.990 0.994 0.998 -0.005 0.031  -0.038 11  LEU CCC N   
1930 C CA  . LEU B 12  ? 1.028 1.034 1.020 -0.002 0.032  -0.046 11  LEU CCC CA  
1931 C C   . LEU B 12  ? 1.062 1.070 1.054 -0.004 0.039  -0.041 11  LEU CCC C   
1932 O O   . LEU B 12  ? 1.083 1.086 1.050 -0.006 0.037  -0.043 11  LEU CCC O   
1933 C CB  . LEU B 12  ? 1.038 1.049 1.032 -0.003 0.036  -0.062 11  LEU CCC CB  
1934 C CG  . LEU B 12  ? 1.035 1.056 1.030 -0.003 0.027  -0.069 11  LEU CCC CG  
1935 C CD1 . LEU B 12  ? 1.040 1.070 1.037 -0.012 0.031  -0.084 11  LEU CCC CD1 
1936 C CD2 . LEU B 12  ? 1.025 1.051 1.006 0.005  0.015  -0.064 11  LEU CCC CD2 
1937 N N   . GLN B 13  ? 1.101 1.116 1.121 -0.003 0.047  -0.032 12  GLN CCC N   
1938 C CA  . GLN B 13  ? 1.156 1.183 1.189 -0.004 0.058  -0.026 12  GLN CCC CA  
1939 C C   . GLN B 13  ? 1.134 1.167 1.155 -0.014 0.047  -0.013 12  GLN CCC C   
1940 O O   . GLN B 13  ? 1.129 1.167 1.144 -0.020 0.055  -0.012 12  GLN CCC O   
1941 C CB  . GLN B 13  ? 1.202 1.242 1.281 0.005  0.070  -0.017 12  GLN CCC CB  
1942 C CG  . GLN B 13  ? 1.258 1.280 1.341 0.012  0.091  -0.033 12  GLN CCC CG  
1943 C CD  . GLN B 13  ? 1.315 1.341 1.444 0.026  0.110  -0.023 12  GLN CCC CD  
1944 O OE1 . GLN B 13  ? 1.347 1.371 1.499 0.035  0.106  -0.011 12  GLN CCC OE1 
1945 N NE2 . GLN B 13  ? 1.337 1.368 1.481 0.030  0.134  -0.028 12  GLN CCC NE2 
1946 N N   . VAL B 14  ? 1.125 1.154 1.137 -0.021 0.033  -0.004 13  VAL CCC N   
1947 C CA  . VAL B 14  ? 1.126 1.153 1.118 -0.037 0.024  0.008  13  VAL CCC CA  
1948 C C   . VAL B 14  ? 1.112 1.106 1.057 -0.040 0.022  -0.000 13  VAL CCC C   
1949 O O   . VAL B 14  ? 1.141 1.122 1.058 -0.054 0.021  0.005  13  VAL CCC O   
1950 C CB  . VAL B 14  ? 1.163 1.197 1.164 -0.048 0.012  0.022  13  VAL CCC CB  
1951 C CG1 . VAL B 14  ? 1.194 1.225 1.168 -0.073 0.003  0.033  13  VAL CCC CG1 
1952 C CG2 . VAL B 14  ? 1.166 1.231 1.218 -0.040 0.012  0.035  13  VAL CCC CG2 
1953 N N   . LEU B 15  ? 1.077 1.057 1.013 -0.026 0.021  -0.011 14  LEU CCC N   
1954 C CA  . LEU B 15  ? 1.089 1.041 0.992 -0.021 0.019  -0.015 14  LEU CCC CA  
1955 C C   . LEU B 15  ? 1.131 1.072 1.009 -0.017 0.020  -0.015 14  LEU CCC C   
1956 O O   . LEU B 15  ? 1.103 1.055 0.987 -0.009 0.019  -0.022 14  LEU CCC O   
1957 C CB  . LEU B 15  ? 1.075 1.032 0.993 -0.006 0.018  -0.024 14  LEU CCC CB  
1958 C CG  . LEU B 15  ? 1.079 1.016 0.979 0.007  0.016  -0.025 14  LEU CCC CG  
1959 C CD1 . LEU B 15  ? 1.098 1.001 0.974 -0.001 0.024  -0.022 14  LEU CCC CD1 
1960 C CD2 . LEU B 15  ? 1.069 1.029 0.996 0.019  0.014  -0.034 14  LEU CCC CD2 
1961 N N   . PRO B 16  ? 1.189 1.102 1.032 -0.028 0.022  -0.008 15  PRO CCC N   
1962 C CA  . PRO B 16  ? 1.242 1.136 1.051 -0.027 0.023  -0.007 15  PRO CCC CA  
1963 C C   . PRO B 16  ? 1.295 1.181 1.096 -0.006 0.014  -0.008 15  PRO CCC C   
1964 O O   . PRO B 16  ? 1.334 1.221 1.118 -0.007 0.011  -0.008 15  PRO CCC O   
1965 C CB  . PRO B 16  ? 1.288 1.141 1.055 -0.041 0.028  0.001  15  PRO CCC CB  
1966 C CG  . PRO B 16  ? 1.260 1.129 1.044 -0.060 0.029  0.003  15  PRO CCC CG  
1967 C CD  . PRO B 16  ? 1.222 1.116 1.045 -0.046 0.024  -0.002 15  PRO CCC CD  
1968 N N   . PHE B 17  ? 1.314 1.199 1.128 0.010  0.010  -0.008 16  PHE CCC N   
1969 C CA  . PHE B 17  ? 1.335 1.225 1.154 0.031  -0.001 -0.005 16  PHE CCC CA  
1970 C C   . PHE B 17  ? 1.331 1.262 1.172 0.030  -0.010 -0.013 16  PHE CCC C   
1971 O O   . PHE B 17  ? 1.367 1.308 1.203 0.040  -0.025 -0.008 16  PHE CCC O   
1972 C CB  . PHE B 17  ? 1.346 1.233 1.186 0.048  0.002  -0.005 16  PHE CCC CB  
1973 C CG  . PHE B 17  ? 1.397 1.233 1.207 0.060  0.011  0.004  16  PHE CCC CG  
1974 C CD1 . PHE B 17  ? 1.449 1.261 1.231 0.074  0.003  0.019  16  PHE CCC CD1 
1975 C CD2 . PHE B 17  ? 1.415 1.221 1.217 0.055  0.028  0.000  16  PHE CCC CD2 
1976 C CE1 . PHE B 17  ? 1.508 1.263 1.260 0.087  0.015  0.029  16  PHE CCC CE1 
1977 C CE2 . PHE B 17  ? 1.473 1.220 1.240 0.064  0.042  0.007  16  PHE CCC CE2 
1978 C CZ  . PHE B 17  ? 1.513 1.234 1.257 0.082  0.036  0.022  16  PHE CCC CZ  
1979 N N   . ALA B 18  ? 1.329 1.280 1.191 0.017  -0.002 -0.024 17  ALA CCC N   
1980 C CA  . ALA B 18  ? 1.351 1.328 1.227 0.010  -0.003 -0.035 17  ALA CCC CA  
1981 C C   . ALA B 18  ? 1.416 1.384 1.256 -0.001 -0.003 -0.036 17  ALA CCC C   
1982 O O   . ALA B 18  ? 1.430 1.410 1.259 -0.005 -0.013 -0.040 17  ALA CCC O   
1983 C CB  . ALA B 18  ? 1.320 1.308 1.225 0.003  0.010  -0.044 17  ALA CCC CB  
1984 N N   . GLU B 19  ? 1.423 1.405 1.398 -0.016 0.023  0.020  18  GLU CCC N   
1985 C CA  . GLU B 19  ? 1.430 1.418 1.421 -0.009 0.026  0.013  18  GLU CCC CA  
1986 C C   . GLU B 19  ? 1.411 1.411 1.394 -0.007 0.029  0.005  18  GLU CCC C   
1987 O O   . GLU B 19  ? 1.423 1.424 1.393 -0.008 0.028  0.006  18  GLU CCC O   
1988 C CB  . GLU B 19  ? 1.467 1.457 1.478 -0.004 0.020  0.025  18  GLU CCC CB  
1989 C CG  . GLU B 19  ? 1.507 1.488 1.539 -0.001 0.021  0.035  18  GLU CCC CG  
1990 C CD  . GLU B 19  ? 1.534 1.519 1.602 0.013  0.029  0.048  18  GLU CCC CD  
1991 O OE1 . GLU B 19  ? 1.507 1.506 1.589 0.016  0.030  0.053  18  GLU CCC OE1 
1992 O OE2 . GLU B 19  ? 1.548 1.522 1.632 0.021  0.039  0.055  18  GLU CCC OE2 
1993 N N   . GLN B 20  ? 1.384 1.385 1.367 -0.003 0.033  -0.004 19  GLN CCC N   
1994 C CA  . GLN B 20  ? 1.353 1.365 1.331 0.001  0.035  -0.009 19  GLN CCC CA  
1995 C C   . GLN B 20  ? 1.321 1.336 1.306 0.009  0.038  -0.004 19  GLN CCC C   
1996 O O   . GLN B 20  ? 1.319 1.328 1.317 0.014  0.042  0.004  19  GLN CCC O   
1997 C CB  . GLN B 20  ? 1.364 1.368 1.331 0.001  0.031  -0.017 19  GLN CCC CB  
1998 C CG  . GLN B 20  ? 1.352 1.364 1.330 -0.010 0.022  -0.015 19  GLN CCC CG  
1999 C CD  . GLN B 20  ? 1.323 1.359 1.315 -0.009 0.027  -0.009 19  GLN CCC CD  
2000 O OE1 . GLN B 20  ? 1.285 1.328 1.272 -0.003 0.029  -0.010 19  GLN CCC OE1 
2001 N NE2 . GLN B 20  ? 1.309 1.357 1.320 -0.014 0.032  0.002  19  GLN CCC NE2 
2002 N N   . ASP B 21  ? 1.271 1.294 1.254 0.009  0.037  -0.003 20  ASP CCC N   
2003 C CA  . ASP B 21  ? 1.281 1.308 1.278 0.013  0.036  0.005  20  ASP CCC CA  
2004 C C   . ASP B 21  ? 1.291 1.323 1.279 0.015  0.038  0.001  20  ASP CCC C   
2005 O O   . ASP B 21  ? 1.277 1.305 1.252 0.012  0.035  -0.003 20  ASP CCC O   
2006 C CB  . ASP B 21  ? 1.295 1.314 1.299 0.004  0.021  0.015  20  ASP CCC CB  
2007 C CG  . ASP B 21  ? 1.295 1.317 1.327 0.003  0.011  0.030  20  ASP CCC CG  
2008 O OD1 . ASP B 21  ? 1.316 1.338 1.344 0.003  0.011  0.028  20  ASP CCC OD1 
2009 O OD2 . ASP B 21  ? 1.304 1.329 1.368 -0.000 0.003  0.047  20  ASP CCC OD2 
2010 N N   . GLU B 22  ? 1.317 1.355 1.311 0.023  0.045  0.004  21  GLU CCC N   
2011 C CA  . GLU B 22  ? 1.354 1.397 1.340 0.027  0.048  0.002  21  GLU CCC CA  
2012 C C   . GLU B 22  ? 1.368 1.407 1.360 0.023  0.041  0.006  21  GLU CCC C   
2013 O O   . GLU B 22  ? 1.348 1.387 1.329 0.025  0.042  0.001  21  GLU CCC O   
2014 C CB  . GLU B 22  ? 1.337 1.380 1.324 0.038  0.060  0.010  21  GLU CCC CB  
2015 C CG  . GLU B 22  ? 1.363 1.389 1.322 0.046  0.069  0.004  21  GLU CCC CG  
2016 C CD  . GLU B 22  ? 1.363 1.377 1.308 0.062  0.089  0.014  21  GLU CCC CD  
2017 O OE1 . GLU B 22  ? 1.324 1.349 1.282 0.065  0.094  0.025  21  GLU CCC OE1 
2018 O OE2 . GLU B 22  ? 1.364 1.354 1.284 0.072  0.103  0.012  21  GLU CCC OE2 
2019 N N   . GLN B 23  ? 1.385 1.419 1.395 0.018  0.032  0.016  22  GLN CCC N   
2020 C CA  . GLN B 23  ? 1.416 1.432 1.424 0.010  0.017  0.020  22  GLN CCC CA  
2021 C C   . GLN B 23  ? 1.424 1.413 1.390 0.007  0.013  0.007  22  GLN CCC C   
2022 O O   . GLN B 23  ? 1.438 1.409 1.383 0.011  0.015  0.002  22  GLN CCC O   
2023 C CB  . GLN B 23  ? 1.444 1.458 1.486 0.001  0.001  0.038  22  GLN CCC CB  
2024 C CG  . GLN B 23  ? 1.494 1.484 1.539 -0.011 -0.024 0.046  22  GLN CCC CG  
2025 C CD  . GLN B 23  ? 1.517 1.523 1.626 -0.019 -0.036 0.075  22  GLN CCC CD  
2026 O OE1 . GLN B 23  ? 1.487 1.510 1.633 -0.021 -0.039 0.091  22  GLN CCC OE1 
2027 N NE2 . GLN B 23  ? 1.534 1.537 1.664 -0.023 -0.042 0.086  22  GLN CCC NE2 
2028 N N   . ARG B 24  ? 1.363 1.347 1.316 0.004  0.011  0.004  23  ARG CCC N   
2029 C CA  . ARG B 24  ? 1.341 1.297 1.250 0.004  0.013  -0.004 23  ARG CCC CA  
2030 C C   . ARG B 24  ? 1.311 1.278 1.216 0.016  0.036  -0.010 23  ARG CCC C   
2031 O O   . ARG B 24  ? 1.343 1.280 1.213 0.023  0.045  -0.013 23  ARG CCC O   
2032 C CB  . ARG B 24  ? 1.325 1.280 1.230 -0.001 0.010  -0.002 23  ARG CCC CB  
2033 C CG  . ARG B 24  ? 1.337 1.263 1.194 0.002  0.020  -0.006 23  ARG CCC CG  
2034 C CD  . ARG B 24  ? 1.345 1.260 1.190 -0.005 0.011  -0.001 23  ARG CCC CD  
2035 N NE  . ARG B 24  ? 1.305 1.257 1.196 -0.006 0.015  0.003  23  ARG CCC NE  
2036 C CZ  . ARG B 24  ? 1.295 1.256 1.213 -0.012 0.001  0.011  23  ARG CCC CZ  
2037 N NH1 . ARG B 24  ? 1.280 1.225 1.200 -0.020 -0.023 0.021  23  ARG CCC NH1 
2038 N NH2 . ARG B 24  ? 1.294 1.277 1.242 -0.010 0.010  0.012  23  ARG CCC NH2 
2039 N N   . ASN B 25  ? 1.235 1.238 1.172 0.019  0.044  -0.008 24  ASN CCC N   
2040 C CA  . ASN B 25  ? 1.208 1.228 1.157 0.027  0.058  -0.007 24  ASN CCC CA  
2041 C C   . ASN B 25  ? 1.150 1.164 1.097 0.036  0.063  -0.006 24  ASN CCC C   
2042 O O   . ASN B 25  ? 1.185 1.196 1.131 0.046  0.079  -0.002 24  ASN CCC O   
2043 C CB  . ASN B 25  ? 1.224 1.273 1.199 0.024  0.053  -0.005 24  ASN CCC CB  
2044 C CG  . ASN B 25  ? 1.255 1.305 1.233 0.016  0.050  -0.006 24  ASN CCC CG  
2045 O OD1 . ASN B 25  ? 1.247 1.284 1.212 0.014  0.054  -0.005 24  ASN CCC OD1 
2046 N ND2 . ASN B 25  ? 1.284 1.341 1.268 0.012  0.041  -0.008 24  ASN CCC ND2 
2047 N N   . GLN B 26  ? 1.431 1.392 0.905 0.072  0.049  -0.110 25  GLN CCC N   
2048 C CA  . GLN B 26  ? 1.407 1.415 0.873 0.061  0.051  -0.065 25  GLN CCC CA  
2049 C C   . GLN B 26  ? 1.301 1.286 0.820 0.044  0.049  -0.031 25  GLN CCC C   
2050 O O   . GLN B 26  ? 1.266 1.245 0.789 0.031  0.037  -0.004 25  GLN CCC O   
2051 C CB  . GLN B 26  ? 1.442 1.513 0.883 0.074  0.081  -0.052 25  GLN CCC CB  
2052 C CG  . GLN B 26  ? 1.537 1.654 0.912 0.090  0.081  -0.082 25  GLN CCC CG  
2053 C CD  . GLN B 26  ? 1.564 1.678 0.910 0.081  0.050  -0.094 25  GLN CCC CD  
2054 O OE1 . GLN B 26  ? 1.616 1.719 0.946 0.082  0.034  -0.153 25  GLN CCC OE1 
2055 N NE2 . GLN B 26  ? 1.537 1.660 0.884 0.073  0.041  -0.042 25  GLN CCC NE2 
2056 N N   . THR B 27  ? 1.232 1.213 0.791 0.050  0.057  -0.035 26  THR CCC N   
2057 C CA  . THR B 27  ? 1.158 1.135 0.767 0.036  0.053  -0.018 26  THR CCC CA  
2058 C C   . THR B 27  ? 1.109 1.043 0.723 0.025  0.029  -0.018 26  THR CCC C   
2059 O O   . THR B 27  ? 1.099 1.032 0.735 0.009  0.024  -0.000 26  THR CCC O   
2060 C CB  . THR B 27  ? 1.147 1.151 0.789 0.054  0.062  -0.028 26  THR CCC CB  
2061 O OG1 . THR B 27  ? 1.151 1.212 0.793 0.065  0.085  -0.032 26  THR CCC OG1 
2062 C CG2 . THR B 27  ? 1.101 1.131 0.792 0.039  0.057  -0.020 26  THR CCC CG2 
2063 N N   . TRP B 28  ? 1.100 0.997 0.697 0.031  0.019  -0.039 27  TRP CCC N   
2064 C CA  . TRP B 28  ? 1.075 0.941 0.683 0.016  0.002  -0.040 27  TRP CCC CA  
2065 C C   . TRP B 28  ? 1.086 0.969 0.679 0.002  -0.014 -0.037 27  TRP CCC C   
2066 O O   . TRP B 28  ? 1.047 0.931 0.663 -0.009 -0.026 -0.026 27  TRP CCC O   
2067 C CB  . TRP B 28  ? 1.096 0.910 0.700 0.019  0.003  -0.061 27  TRP CCC CB  
2068 C CG  . TRP B 28  ? 1.072 0.873 0.698 0.037  0.013  -0.043 27  TRP CCC CG  
2069 C CD1 . TRP B 28  ? 1.106 0.896 0.731 0.070  0.028  -0.044 27  TRP CCC CD1 
2070 C CD2 . TRP B 28  ? 1.033 0.850 0.684 0.032  0.007  -0.019 27  TRP CCC CD2 
2071 N NE1 . TRP B 28  ? 1.103 0.905 0.748 0.088  0.029  -0.017 27  TRP CCC NE1 
2072 C CE2 . TRP B 28  ? 1.048 0.870 0.707 0.062  0.017  -0.004 27  TRP CCC CE2 
2073 C CE3 . TRP B 28  ? 0.990 0.828 0.658 0.009  -0.005 -0.012 27  TRP CCC CE3 
2074 C CZ2 . TRP B 28  ? 1.018 0.874 0.693 0.069  0.014  0.018  27  TRP CCC CZ2 
2075 C CZ3 . TRP B 28  ? 0.951 0.815 0.638 0.014  -0.006 0.004  27  TRP CCC CZ3 
2076 C CH2 . TRP B 28  ? 0.964 0.841 0.651 0.042  0.003  0.019  27  TRP CCC CH2 
2077 N N   . LEU B 29  ? 1.155 1.063 0.710 0.008  -0.013 -0.044 28  LEU CCC N   
2078 C CA  . LEU B 29  ? 1.181 1.126 0.714 0.008  -0.028 -0.031 28  LEU CCC CA  
2079 C C   . LEU B 29  ? 1.167 1.112 0.724 0.010  -0.022 0.013  28  LEU CCC C   
2080 O O   . LEU B 29  ? 1.140 1.093 0.709 0.012  -0.038 0.026  28  LEU CCC O   
2081 C CB  . LEU B 29  ? 1.264 1.252 0.743 0.022  -0.023 -0.041 28  LEU CCC CB  
2082 C CG  . LEU B 29  ? 1.305 1.353 0.748 0.033  -0.040 -0.025 28  LEU CCC CG  
2083 C CD1 . LEU B 29  ? 1.294 1.361 0.750 0.019  -0.071 -0.059 28  LEU CCC CD1 
2084 C CD2 . LEU B 29  ? 1.372 1.478 0.751 0.051  -0.033 -0.034 28  LEU CCC CD2 
2085 N N   . GLU B 30  ? 1.174 1.112 0.746 0.010  0.001  0.032  29  GLU CCC N   
2086 C CA  . GLU B 30  ? 1.186 1.110 0.791 0.005  0.015  0.066  29  GLU CCC CA  
2087 C C   . GLU B 30  ? 1.132 1.035 0.785 -0.005 0.005  0.053  29  GLU CCC C   
2088 O O   . GLU B 30  ? 1.155 1.043 0.827 -0.002 0.001  0.069  29  GLU CCC O   
2089 C CB  . GLU B 30  ? 1.235 1.167 0.853 -0.003 0.046  0.077  29  GLU CCC CB  
2090 C CG  . GLU B 30  ? 1.319 1.282 0.890 0.007  0.064  0.101  29  GLU CCC CG  
2091 C CD  . GLU B 30  ? 1.353 1.342 0.944 -0.006 0.099  0.109  29  GLU CCC CD  
2092 O OE1 . GLU B 30  ? 1.313 1.295 0.964 -0.027 0.110  0.101  29  GLU CCC OE1 
2093 O OE2 . GLU B 30  ? 1.411 1.441 0.959 0.005  0.116  0.118  29  GLU CCC OE2 
2094 N N   . LEU B 31  ? 1.073 0.980 0.742 -0.010 0.001  0.027  30  LEU CCC N   
2095 C CA  . LEU B 31  ? 1.014 0.921 0.721 -0.016 -0.006 0.014  30  LEU CCC CA  
2096 C C   . LEU B 31  ? 0.986 0.889 0.692 -0.015 -0.025 0.015  30  LEU CCC C   
2097 O O   . LEU B 31  ? 0.957 0.860 0.693 -0.015 -0.026 0.016  30  LEU CCC O   
2098 C CB  . LEU B 31  ? 0.996 0.913 0.703 -0.011 -0.006 -0.001 30  LEU CCC CB  
2099 C CG  . LEU B 31  ? 0.998 0.947 0.720 -0.006 0.009  -0.006 30  LEU CCC CG  
2100 C CD1 . LEU B 31  ? 1.009 0.968 0.725 0.015  0.008  -0.011 30  LEU CCC CD1 
2101 C CD2 . LEU B 31  ? 0.981 0.960 0.750 -0.021 0.015  -0.014 30  LEU CCC CD2 
2102 N N   . VAL B 32  ? 1.019 0.924 0.697 -0.015 -0.036 0.007  31  VAL CCC N   
2103 C CA  . VAL B 32  ? 1.033 0.956 0.719 -0.019 -0.054 0.001  31  VAL CCC CA  
2104 C C   . VAL B 32  ? 1.064 1.006 0.750 -0.002 -0.062 0.021  31  VAL CCC C   
2105 O O   . VAL B 32  ? 1.033 0.992 0.748 0.003  -0.070 0.022  31  VAL CCC O   
2106 C CB  . VAL B 32  ? 1.066 0.992 0.730 -0.032 -0.062 -0.023 31  VAL CCC CB  
2107 C CG1 . VAL B 32  ? 1.077 1.047 0.756 -0.042 -0.081 -0.034 31  VAL CCC CG1 
2108 C CG2 . VAL B 32  ? 1.058 0.946 0.729 -0.042 -0.050 -0.033 31  VAL CCC CG2 
2109 N N   . GLY B 33  ? 1.123 1.064 0.776 0.010  -0.056 0.041  32  GLY CCC N   
2110 C CA  . GLY B 33  ? 1.153 1.104 0.798 0.036  -0.058 0.077  32  GLY CCC CA  
2111 C C   . GLY B 33  ? 1.150 1.060 0.840 0.043  -0.044 0.092  32  GLY CCC C   
2112 O O   . GLY B 33  ? 1.138 1.057 0.843 0.067  -0.053 0.107  32  GLY CCC O   
2113 N N   . GLU B 34  ? 1.166 1.040 0.880 0.023  -0.023 0.084  33  GLU CCC N   
2114 C CA  . GLU B 34  ? 1.205 1.039 0.970 0.021  -0.006 0.082  33  GLU CCC CA  
2115 C C   . GLU B 34  ? 1.157 1.012 0.953 0.023  -0.021 0.050  33  GLU CCC C   
2116 O O   . GLU B 34  ? 1.187 1.018 1.017 0.038  -0.016 0.050  33  GLU CCC O   
2117 C CB  . GLU B 34  ? 1.245 1.064 1.033 -0.007 0.016  0.068  33  GLU CCC CB  
2118 C CG  . GLU B 34  ? 1.359 1.156 1.126 -0.011 0.041  0.105  33  GLU CCC CG  
2119 C CD  . GLU B 34  ? 1.401 1.203 1.202 -0.043 0.066  0.089  33  GLU CCC CD  
2120 O OE1 . GLU B 34  ? 1.399 1.194 1.254 -0.063 0.072  0.055  33  GLU CCC OE1 
2121 O OE2 . GLU B 34  ? 1.481 1.306 1.255 -0.048 0.080  0.104  33  GLU CCC OE2 
2122 N N   . ALA B 35  ? 1.085 0.981 0.873 0.010  -0.035 0.026  34  ALA CCC N   
2123 C CA  . ALA B 35  ? 1.082 1.012 0.894 0.010  -0.045 0.003  34  ALA CCC CA  
2124 C C   . ALA B 35  ? 1.102 1.058 0.921 0.034  -0.059 0.013  34  ALA CCC C   
2125 O O   . ALA B 35  ? 1.073 1.040 0.928 0.049  -0.057 -0.000 34  ALA CCC O   
2126 C CB  . ALA B 35  ? 1.023 0.980 0.819 -0.007 -0.050 -0.008 34  ALA CCC CB  
2127 N N   . GLN B 36  ? 1.059 1.075 1.062 -0.022 0.007  -0.016 35  GLN CCC N   
2128 C CA  . GLN B 36  ? 1.094 1.106 1.096 -0.026 -0.003 -0.025 35  GLN CCC CA  
2129 C C   . GLN B 36  ? 1.088 1.105 1.101 -0.021 -0.009 -0.029 35  GLN CCC C   
2130 O O   . GLN B 36  ? 1.071 1.105 1.101 -0.021 -0.016 -0.038 35  GLN CCC O   
2131 C CB  . GLN B 36  ? 1.151 1.132 1.125 -0.025 -0.006 -0.023 35  GLN CCC CB  
2132 C CG  . GLN B 36  ? 1.186 1.151 1.139 -0.034 0.000  -0.022 35  GLN CCC CG  
2133 C CD  . GLN B 36  ? 1.240 1.163 1.152 -0.034 0.000  -0.019 35  GLN CCC CD  
2134 O OE1 . GLN B 36  ? 1.266 1.165 1.161 -0.026 -0.001 -0.015 35  GLN CCC OE1 
2135 N NE2 . GLN B 36  ? 1.277 1.180 1.164 -0.047 0.004  -0.022 35  GLN CCC NE2 
2136 N N   . GLN B 37  ? 1.103 1.102 1.103 -0.018 -0.002 -0.023 36  GLN CCC N   
2137 C CA  . GLN B 37  ? 1.135 1.121 1.129 -0.015 -0.002 -0.026 36  GLN CCC CA  
2138 C C   . GLN B 37  ? 1.122 1.133 1.138 -0.020 -0.002 -0.032 36  GLN CCC C   
2139 O O   . GLN B 37  ? 1.116 1.124 1.133 -0.013 -0.010 -0.039 36  GLN CCC O   
2140 C CB  . GLN B 37  ? 1.188 1.152 1.166 -0.019 0.013  -0.021 36  GLN CCC CB  
2141 C CG  . GLN B 37  ? 1.247 1.184 1.205 -0.022 0.019  -0.024 36  GLN CCC CG  
2142 C CD  . GLN B 37  ? 1.325 1.209 1.238 -0.009 0.011  -0.025 36  GLN CCC CD  
2143 O OE1 . GLN B 37  ? 1.353 1.211 1.243 -0.004 0.009  -0.021 36  GLN CCC OE1 
2144 N NE2 . GLN B 37  ? 1.368 1.228 1.262 -0.002 0.006  -0.029 36  GLN CCC NE2 
2145 N N   . LEU B 38  ? 1.101 1.134 1.131 -0.029 0.005  -0.030 37  LEU CCC N   
2146 C CA  . LEU B 38  ? 1.052 1.099 1.091 -0.037 0.006  -0.035 37  LEU CCC CA  
2147 C C   . LEU B 38  ? 1.038 1.094 1.086 -0.035 0.002  -0.041 37  LEU CCC C   
2148 O O   . LEU B 38  ? 1.032 1.084 1.079 -0.034 0.004  -0.048 37  LEU CCC O   
2149 C CB  . LEU B 38  ? 1.051 1.121 1.100 -0.046 0.007  -0.031 37  LEU CCC CB  
2150 C CG  . LEU B 38  ? 1.061 1.137 1.116 -0.053 0.014  -0.028 37  LEU CCC CG  
2151 C CD1 . LEU B 38  ? 1.062 1.176 1.139 -0.058 0.009  -0.027 37  LEU CCC CD1 
2152 C CD2 . LEU B 38  ? 1.091 1.143 1.130 -0.063 0.021  -0.034 37  LEU CCC CD2 
2153 N N   . MET B 39  ? 1.036 1.103 1.090 -0.035 0.000  -0.041 38  MET CCC N   
2154 C CA  . MET B 39  ? 1.054 1.134 1.121 -0.038 0.002  -0.050 38  MET CCC CA  
2155 C C   . MET B 39  ? 1.093 1.179 1.175 -0.027 -0.005 -0.059 38  MET CCC C   
2156 O O   . MET B 39  ? 1.115 1.217 1.215 -0.025 -0.000 -0.069 38  MET CCC O   
2157 C CB  . MET B 39  ? 1.056 1.135 1.115 -0.046 0.005  -0.049 38  MET CCC CB  
2158 C CG  . MET B 39  ? 1.064 1.132 1.103 -0.050 0.010  -0.041 38  MET CCC CG  
2159 S SD  . MET B 39  ? 1.059 1.103 1.068 -0.053 0.015  -0.036 38  MET CCC SD  
2160 C CE  . MET B 39  ? 1.065 1.112 1.078 -0.072 0.027  -0.051 38  MET CCC CE  
2161 N N   . GLY B 40  ? 1.143 1.215 1.215 -0.018 -0.016 -0.055 39  GLY CCC N   
2162 C CA  . GLY B 40  ? 1.208 1.280 1.285 -0.001 -0.030 -0.061 39  GLY CCC CA  
2163 C C   . GLY B 40  ? 1.254 1.312 1.325 0.013  -0.027 -0.064 39  GLY CCC C   
2164 O O   . GLY B 40  ? 1.270 1.343 1.360 0.029  -0.035 -0.073 39  GLY CCC O   
2165 N N   . GLU B 41  ? 1.292 1.322 1.337 0.006  -0.017 -0.057 40  GLU CCC N   
2166 C CA  . GLU B 41  ? 1.336 1.338 1.361 0.011  -0.009 -0.060 40  GLU CCC CA  
2167 C C   . GLU B 41  ? 1.363 1.386 1.406 0.005  0.002  -0.067 40  GLU CCC C   
2168 O O   . GLU B 41  ? 1.405 1.401 1.428 0.008  0.011  -0.070 40  GLU CCC O   
2169 C CB  . GLU B 41  ? 1.345 1.315 1.337 -0.004 0.001  -0.053 40  GLU CCC CB  
2170 C CG  . GLU B 41  ? 1.372 1.307 1.335 0.001  -0.001 -0.047 40  GLU CCC CG  
2171 C CD  . GLU B 41  ? 1.398 1.310 1.338 -0.020 0.015  -0.043 40  GLU CCC CD  
2172 O OE1 . GLU B 41  ? 1.405 1.323 1.347 -0.036 0.024  -0.047 40  GLU CCC OE1 
2173 O OE2 . GLU B 41  ? 1.407 1.298 1.329 -0.022 0.019  -0.038 40  GLU CCC OE2 
2174 N N   . ARG B 42  ? 1.364 1.422 1.435 -0.007 0.005  -0.070 41  ARG CCC N   
2175 C CA  . ARG B 42  ? 1.386 1.453 1.462 -0.018 0.020  -0.076 41  ARG CCC CA  
2176 C C   . ARG B 42  ? 1.394 1.434 1.438 -0.033 0.026  -0.071 41  ARG CCC C   
2177 O O   . ARG B 42  ? 1.387 1.410 1.416 -0.036 0.037  -0.077 41  ARG CCC O   
2178 C CB  . ARG B 42  ? 1.437 1.513 1.532 -0.002 0.027  -0.088 41  ARG CCC CB  
2179 C CG  . ARG B 42  ? 1.466 1.581 1.603 0.014  0.016  -0.096 41  ARG CCC CG  
2180 C CD  . ARG B 42  ? 1.459 1.608 1.621 -0.005 0.018  -0.099 41  ARG CCC CD  
2181 N NE  . ARG B 42  ? 1.471 1.669 1.684 -0.001 0.021  -0.116 41  ARG CCC NE  
2182 C CZ  . ARG B 42  ? 1.473 1.689 1.709 -0.004 0.044  -0.128 41  ARG CCC CZ  
2183 N NH1 . ARG B 42  ? 1.496 1.674 1.697 -0.011 0.063  -0.125 41  ARG CCC NH1 
2184 N NH2 . ARG B 42  ? 1.460 1.731 1.753 -0.001 0.049  -0.145 41  ARG CCC NH2 
2185 N N   . CYS B 43  ? 1.386 1.423 1.420 -0.042 0.019  -0.062 42  CYS CCC N   
2186 C CA  . CYS B 43  ? 1.386 1.412 1.400 -0.059 0.020  -0.059 42  CYS CCC CA  
2187 C C   . CYS B 43  ? 1.332 1.366 1.340 -0.072 0.021  -0.061 42  CYS CCC C   
2188 O O   . CYS B 43  ? 1.317 1.366 1.333 -0.071 0.018  -0.058 42  CYS CCC O   
2189 C CB  . CYS B 43  ? 1.413 1.451 1.433 -0.063 0.014  -0.051 42  CYS CCC CB  
2190 S SG  . CYS B 43  ? 1.510 1.553 1.523 -0.087 0.014  -0.052 42  CYS CCC SG  
2191 N N   . PRO B 44  ? 1.276 1.316 1.221 0.031  0.048  -0.003 43  PRO CCC N   
2192 C CA  . PRO B 44  ? 1.221 1.250 1.163 0.038  0.052  0.003  43  PRO CCC CA  
2193 C C   . PRO B 44  ? 1.154 1.177 1.099 0.034  0.050  -0.004 43  PRO CCC C   
2194 O O   . PRO B 44  ? 1.140 1.163 1.081 0.027  0.044  -0.012 43  PRO CCC O   
2195 C CB  . PRO B 44  ? 1.261 1.280 1.179 0.052  0.049  0.004  43  PRO CCC CB  
2196 C CG  . PRO B 44  ? 1.283 1.306 1.203 0.048  0.045  0.004  43  PRO CCC CG  
2197 C CD  . PRO B 44  ? 1.278 1.314 1.210 0.034  0.045  0.002  43  PRO CCC CD  
2198 N N   . ALA B 45  ? 1.083 1.106 1.040 0.039  0.056  0.005  44  ALA CCC N   
2199 C CA  . ALA B 45  ? 1.056 1.074 1.021 0.035  0.055  0.000  44  ALA CCC CA  
2200 C C   . ALA B 45  ? 1.042 1.046 0.978 0.039  0.049  -0.009 44  ALA CCC C   
2201 O O   . ALA B 45  ? 1.015 1.015 0.956 0.032  0.046  -0.016 44  ALA CCC O   
2202 C CB  . ALA B 45  ? 1.054 1.080 1.043 0.045  0.067  0.022  44  ALA CCC CB  
2203 N N   . ASP B 46  ? 1.064 1.062 0.980 0.051  0.043  -0.012 45  ASP CCC N   
2204 C CA  . ASP B 46  ? 1.086 1.069 0.993 0.056  0.030  -0.025 45  ASP CCC CA  
2205 C C   . ASP B 46  ? 1.065 1.044 0.991 0.043  0.021  -0.026 45  ASP CCC C   
2206 O O   . ASP B 46  ? 1.090 1.056 1.030 0.046  0.008  -0.032 45  ASP CCC O   
2207 C CB  . ASP B 46  ? 1.109 1.091 0.998 0.084  0.020  -0.033 45  ASP CCC CB  
2208 C CG  . ASP B 46  ? 1.126 1.113 1.010 0.094  0.018  -0.033 45  ASP CCC CG  
2209 O OD1 . ASP B 46  ? 1.160 1.148 1.057 0.076  0.023  -0.024 45  ASP CCC OD1 
2210 O OD2 . ASP B 46  ? 1.170 1.166 1.035 0.124  0.010  -0.042 45  ASP CCC OD2 
2211 N N   . GLU B 47  ? 1.080 1.073 1.012 0.033  0.028  -0.017 46  GLU CCC N   
2212 C CA  . GLU B 47  ? 1.127 1.132 1.080 0.026  0.027  -0.006 46  GLU CCC CA  
2213 C C   . GLU B 47  ? 1.125 1.137 1.087 0.021  0.028  -0.004 46  GLU CCC C   
2214 O O   . GLU B 47  ? 1.124 1.139 1.073 0.019  0.032  -0.013 46  GLU CCC O   
2215 C CB  . GLU B 47  ? 1.164 1.194 1.113 0.024  0.035  0.000  46  GLU CCC CB  
2216 C CG  . GLU B 47  ? 1.211 1.256 1.181 0.026  0.035  0.019  46  GLU CCC CG  
2217 C CD  . GLU B 47  ? 1.218 1.304 1.198 0.029  0.042  0.037  46  GLU CCC CD  
2218 O OE1 . GLU B 47  ? 1.233 1.347 1.218 0.035  0.048  0.052  46  GLU CCC OE1 
2219 O OE2 . GLU B 47  ? 1.237 1.332 1.218 0.030  0.044  0.038  46  GLU CCC OE2 
2220 N N   . PRO B 48  ? 1.127 1.142 1.121 0.020  0.023  0.011  47  PRO CCC N   
2221 C CA  . PRO B 48  ? 1.094 1.119 1.099 0.017  0.026  0.018  47  PRO CCC CA  
2222 C C   . PRO B 48  ? 1.035 1.095 1.018 0.021  0.037  0.017  47  PRO CCC C   
2223 O O   . PRO B 48  ? 1.006 1.065 0.982 0.019  0.036  0.008  47  PRO CCC O   
2224 C CB  . PRO B 48  ? 1.121 1.159 1.180 0.018  0.024  0.048  47  PRO CCC CB  
2225 C CG  . PRO B 48  ? 1.143 1.153 1.226 0.019  0.008  0.040  47  PRO CCC CG  
2226 C CD  . PRO B 48  ? 1.141 1.149 1.173 0.022  0.014  0.023  47  PRO CCC CD  
2227 N N   . ARG B 49  ? 1.017 1.109 0.991 0.028  0.042  0.022  48  ARG CCC N   
2228 C CA  . ARG B 49  ? 1.026 1.158 0.981 0.040  0.045  0.010  48  ARG CCC CA  
2229 C C   . ARG B 49  ? 0.983 1.094 0.928 0.035  0.037  -0.022 48  ARG CCC C   
2230 O O   . ARG B 49  ? 0.949 1.079 0.891 0.043  0.033  -0.039 48  ARG CCC O   
2231 C CB  . ARG B 49  ? 1.063 1.236 1.011 0.055  0.049  0.018  48  ARG CCC CB  
2232 C CG  . ARG B 49  ? 1.083 1.309 1.045 0.073  0.061  0.055  48  ARG CCC CG  
2233 C CD  . ARG B 49  ? 1.103 1.378 1.051 0.093  0.065  0.060  48  ARG CCC CD  
2234 N NE  . ARG B 49  ? 1.105 1.346 1.060 0.078  0.062  0.059  48  ARG CCC NE  
2235 C CZ  . ARG B 49  ? 1.114 1.374 1.055 0.087  0.060  0.049  48  ARG CCC CZ  
2236 N NH1 . ARG B 49  ? 1.111 1.428 1.031 0.115  0.058  0.035  48  ARG CCC NH1 
2237 N NH2 . ARG B 49  ? 1.115 1.340 1.063 0.072  0.059  0.050  48  ARG CCC NH2 
2238 N N   . ALA B 50  ? 0.923 0.899 0.777 -0.013 0.097  0.075  49  ALA CCC N   
2239 C CA  . ALA B 50  ? 0.888 0.862 0.730 -0.019 0.086  0.061  49  ALA CCC CA  
2240 C C   . ALA B 50  ? 0.851 0.810 0.666 -0.031 0.075  0.048  49  ALA CCC C   
2241 O O   . ALA B 50  ? 0.833 0.804 0.639 -0.031 0.061  0.043  49  ALA CCC O   
2242 C CB  . ALA B 50  ? 0.892 0.841 0.744 -0.023 0.104  0.059  49  ALA CCC CB  
2243 N N   . ILE B 51  ? 0.848 0.782 0.656 -0.041 0.079  0.043  50  ILE CCC N   
2244 C CA  . ILE B 51  ? 0.862 0.781 0.650 -0.052 0.061  0.031  50  ILE CCC CA  
2245 C C   . ILE B 51  ? 0.839 0.789 0.649 -0.048 0.049  0.037  50  ILE CCC C   
2246 O O   . ILE B 51  ? 0.847 0.801 0.646 -0.050 0.033  0.031  50  ILE CCC O   
2247 C CB  . ILE B 51  ? 0.886 0.770 0.668 -0.063 0.063  0.021  50  ILE CCC CB  
2248 C CG1 . ILE B 51  ? 0.940 0.780 0.682 -0.066 0.078  0.012  50  ILE CCC CG1 
2249 C CG2 . ILE B 51  ? 0.906 0.785 0.688 -0.073 0.035  0.011  50  ILE CCC CG2 
2250 C CD1 . ILE B 51  ? 0.993 0.792 0.725 -0.076 0.085  0.000  50  ILE CCC CD1 
2251 N N   . ALA B 52  ? 0.812 0.779 0.650 -0.040 0.060  0.050  51  ALA CCC N   
2252 C CA  . ALA B 52  ? 0.817 0.805 0.674 -0.033 0.060  0.058  51  ALA CCC CA  
2253 C C   . ALA B 52  ? 0.795 0.801 0.629 -0.024 0.053  0.058  51  ALA CCC C   
2254 O O   . ALA B 52  ? 0.783 0.795 0.621 -0.025 0.045  0.055  51  ALA CCC O   
2255 C CB  . ALA B 52  ? 0.799 0.793 0.680 -0.021 0.083  0.076  51  ALA CCC CB  
2256 N N   . LEU B 53  ? 0.790 0.802 0.608 -0.015 0.054  0.059  52  LEU CCC N   
2257 C CA  . LEU B 53  ? 0.809 0.835 0.610 -0.008 0.042  0.053  52  LEU CCC CA  
2258 C C   . LEU B 53  ? 0.788 0.808 0.586 -0.019 0.031  0.039  52  LEU CCC C   
2259 O O   . LEU B 53  ? 0.810 0.838 0.604 -0.017 0.026  0.035  52  LEU CCC O   
2260 C CB  . LEU B 53  ? 0.821 0.855 0.624 -0.000 0.039  0.055  52  LEU CCC CB  
2261 C CG  . LEU B 53  ? 0.825 0.872 0.621 0.005  0.021  0.043  52  LEU CCC CG  
2262 C CD1 . LEU B 53  ? 0.848 0.901 0.615 0.018  0.016  0.045  52  LEU CCC CD1 
2263 C CD2 . LEU B 53  ? 0.836 0.893 0.653 0.011  0.012  0.044  52  LEU CCC CD2 
2264 N N   . ALA B 54  ? 0.757 0.759 0.552 -0.029 0.033  0.034  53  ALA CCC N   
2265 C CA  . ALA B 54  ? 0.773 0.759 0.554 -0.036 0.027  0.025  53  ALA CCC CA  
2266 C C   . ALA B 54  ? 0.795 0.781 0.576 -0.040 0.015  0.025  53  ALA CCC C   
2267 O O   . ALA B 54  ? 0.778 0.767 0.557 -0.040 0.009  0.021  53  ALA CCC O   
2268 C CB  . ALA B 54  ? 0.800 0.753 0.563 -0.042 0.036  0.022  53  ALA CCC CB  
2269 N N   . THR B 55  ? 0.837 0.822 0.631 -0.044 0.012  0.029  54  THR CCC N   
2270 C CA  . THR B 55  ? 0.870 0.857 0.684 -0.048 -0.002 0.030  54  THR CCC CA  
2271 C C   . THR B 55  ? 0.876 0.886 0.708 -0.039 0.005  0.035  54  THR CCC C   
2272 O O   . THR B 55  ? 0.876 0.888 0.714 -0.040 -0.004 0.034  54  THR CCC O   
2273 C CB  . THR B 55  ? 0.887 0.868 0.728 -0.055 -0.005 0.032  54  THR CCC CB  
2274 O OG1 . THR B 55  ? 0.969 0.919 0.778 -0.063 -0.013 0.022  54  THR CCC OG1 
2275 C CG2 . THR B 55  ? 0.897 0.886 0.781 -0.059 -0.022 0.034  54  THR CCC CG2 
2276 N N   . ARG B 56  ? 0.897 0.919 0.733 -0.029 0.021  0.042  55  ARG CCC N   
2277 C CA  . ARG B 56  ? 0.919 0.952 0.756 -0.018 0.032  0.045  55  ARG CCC CA  
2278 C C   . ARG B 56  ? 0.873 0.908 0.689 -0.017 0.025  0.033  55  ARG CCC C   
2279 O O   . ARG B 56  ? 0.886 0.923 0.711 -0.015 0.027  0.031  55  ARG CCC O   
2280 C CB  . ARG B 56  ? 0.970 1.004 0.790 -0.003 0.050  0.054  55  ARG CCC CB  
2281 C CG  . ARG B 56  ? 1.029 1.060 0.878 0.002  0.072  0.070  55  ARG CCC CG  
2282 C CD  . ARG B 56  ? 1.092 1.116 0.907 0.023  0.093  0.082  55  ARG CCC CD  
2283 N NE  . ARG B 56  ? 1.125 1.151 0.917 0.026  0.085  0.083  55  ARG CCC NE  
2284 C CZ  . ARG B 56  ? 1.157 1.183 0.904 0.040  0.078  0.082  55  ARG CCC CZ  
2285 N NH1 . ARG B 56  ? 1.188 1.209 0.894 0.053  0.077  0.076  55  ARG CCC NH1 
2286 N NH2 . ARG B 56  ? 1.139 1.170 0.886 0.041  0.070  0.085  55  ARG CCC NH2 
2287 N N   . TRP B 57  ? 0.826 0.860 0.625 -0.019 0.019  0.026  56  TRP CCC N   
2288 C CA  . TRP B 57  ? 0.813 0.849 0.608 -0.019 0.013  0.013  56  TRP CCC CA  
2289 C C   . TRP B 57  ? 0.798 0.826 0.603 -0.026 0.010  0.011  56  TRP CCC C   
2290 O O   . TRP B 57  ? 0.795 0.827 0.606 -0.023 0.012  0.005  56  TRP CCC O   
2291 C CB  . TRP B 57  ? 0.826 0.860 0.622 -0.021 0.010  0.009  56  TRP CCC CB  
2292 C CG  . TRP B 57  ? 0.836 0.872 0.645 -0.021 0.006  -0.003 56  TRP CCC CG  
2293 C CD1 . TRP B 57  ? 0.836 0.861 0.656 -0.027 0.011  -0.008 56  TRP CCC CD1 
2294 C CD2 . TRP B 57  ? 0.836 0.885 0.660 -0.016 -0.003 -0.012 56  TRP CCC CD2 
2295 N NE1 . TRP B 57  ? 0.826 0.857 0.674 -0.027 0.009  -0.020 56  TRP CCC NE1 
2296 C CE2 . TRP B 57  ? 0.828 0.875 0.682 -0.021 -0.003 -0.024 56  TRP CCC CE2 
2297 C CE3 . TRP B 57  ? 0.852 0.912 0.670 -0.007 -0.014 -0.009 56  TRP CCC CE3 
2298 C CZ2 . TRP B 57  ? 0.841 0.900 0.730 -0.019 -0.016 -0.037 56  TRP CCC CZ2 
2299 C CZ3 . TRP B 57  ? 0.862 0.934 0.705 -0.003 -0.032 -0.021 56  TRP CCC CZ3 
2300 C CH2 . TRP B 57  ? 0.855 0.927 0.738 -0.010 -0.034 -0.036 56  TRP CCC CH2 
2301 N N   A MET B 58  ? 0.794 0.806 0.594 -0.033 0.005  0.017  57  MET CCC N   
2302 N N   B MET B 58  ? 0.788 0.800 0.588 -0.033 0.005  0.017  57  MET CCC N   
2303 C CA  A MET B 58  ? 0.812 0.811 0.611 -0.036 -0.001 0.019  57  MET CCC CA  
2304 C CA  B MET B 58  ? 0.802 0.801 0.601 -0.036 -0.001 0.019  57  MET CCC CA  
2305 C C   A MET B 58  ? 0.807 0.817 0.632 -0.035 -0.006 0.025  57  MET CCC C   
2306 C C   B MET B 58  ? 0.801 0.812 0.627 -0.035 -0.006 0.025  57  MET CCC C   
2307 O O   A MET B 58  ? 0.799 0.807 0.633 -0.033 -0.005 0.026  57  MET CCC O   
2308 O O   B MET B 58  ? 0.793 0.802 0.628 -0.033 -0.005 0.026  57  MET CCC O   
2309 C CB  A MET B 58  ? 0.834 0.805 0.605 -0.042 -0.010 0.022  57  MET CCC CB  
2310 C CB  B MET B 58  ? 0.816 0.788 0.588 -0.042 -0.010 0.022  57  MET CCC CB  
2311 C CG  A MET B 58  ? 0.842 0.793 0.589 -0.042 0.004  0.018  57  MET CCC CG  
2312 C CG  B MET B 58  ? 0.819 0.770 0.566 -0.042 0.004  0.018  57  MET CCC CG  
2313 S SD  A MET B 58  ? 0.852 0.801 0.611 -0.037 0.019  0.014  57  MET CCC SD  
2314 S SD  B MET B 58  ? 0.810 0.765 0.576 -0.037 0.020  0.013  57  MET CCC SD  
2315 C CE  A MET B 58  ? 0.824 0.785 0.606 -0.037 0.032  0.007  57  MET CCC CE  
2316 C CE  B MET B 58  ? 0.836 0.765 0.580 -0.035 0.017  0.021  57  MET CCC CE  
2317 N N   . GLU B 59  ? 0.815 0.835 0.660 -0.034 -0.005 0.031  58  GLU CCC N   
2318 C CA  . GLU B 59  ? 0.841 0.872 0.728 -0.031 -0.002 0.039  58  GLU CCC CA  
2319 C C   . GLU B 59  ? 0.828 0.865 0.714 -0.023 0.017  0.034  58  GLU CCC C   
2320 O O   . GLU B 59  ? 0.806 0.844 0.720 -0.020 0.022  0.039  58  GLU CCC O   
2321 C CB  . GLU B 59  ? 0.881 0.917 0.799 -0.032 0.002  0.048  58  GLU CCC CB  
2322 C CG  . GLU B 59  ? 0.930 0.959 0.866 -0.042 -0.025 0.049  58  GLU CCC CG  
2323 C CD  . GLU B 59  ? 0.976 1.013 0.974 -0.045 -0.025 0.058  58  GLU CCC CD  
2324 O OE1 . GLU B 59  ? 0.977 1.014 0.977 -0.043 -0.007 0.059  58  GLU CCC OE1 
2325 O OE2 . GLU B 59  ? 1.016 1.059 1.067 -0.048 -0.042 0.064  58  GLU CCC OE2 
2326 N N   . GLN B 60  ? 0.807 0.844 0.661 -0.017 0.026  0.025  59  GLN CCC N   
2327 C CA  . GLN B 60  ? 0.857 0.892 0.697 -0.009 0.039  0.014  59  GLN CCC CA  
2328 C C   . GLN B 60  ? 0.845 0.878 0.694 -0.014 0.034  0.004  59  GLN CCC C   
2329 O O   . GLN B 60  ? 0.827 0.855 0.689 -0.010 0.046  0.001  59  GLN CCC O   
2330 C CB  . GLN B 60  ? 0.897 0.931 0.697 -0.002 0.038  0.004  59  GLN CCC CB  
2331 C CG  . GLN B 60  ? 0.935 0.961 0.707 0.008  0.045  -0.011 59  GLN CCC CG  
2332 C CD  . GLN B 60  ? 0.984 0.996 0.751 0.019  0.071  -0.001 59  GLN CCC CD  
2333 O OE1 . GLN B 60  ? 1.020 1.032 0.799 0.023  0.086  0.018  59  GLN CCC OE1 
2334 N NE2 . GLN B 60  ? 0.996 0.994 0.751 0.024  0.083  -0.014 59  GLN CCC NE2 
2335 N N   . LEU B 61  ? 0.805 0.835 0.649 -0.020 0.023  0.001  60  LEU CCC N   
2336 C CA  . LEU B 61  ? 0.794 0.816 0.649 -0.023 0.024  -0.004 60  LEU CCC CA  
2337 C C   . LEU B 61  ? 0.798 0.816 0.676 -0.023 0.026  0.009  60  LEU CCC C   
2338 O O   . LEU B 61  ? 0.799 0.812 0.695 -0.021 0.036  0.005  60  LEU CCC O   
2339 C CB  . LEU B 61  ? 0.794 0.806 0.639 -0.028 0.020  -0.004 60  LEU CCC CB  
2340 C CG  . LEU B 61  ? 0.796 0.813 0.645 -0.028 0.021  -0.018 60  LEU CCC CG  
2341 C CD1 . LEU B 61  ? 0.786 0.786 0.632 -0.032 0.027  -0.013 60  LEU CCC CD1 
2342 C CD2 . LEU B 61  ? 0.808 0.829 0.681 -0.027 0.025  -0.036 60  LEU CCC CD2 
2343 N N   . GLU B 62  ? 0.826 0.844 0.708 -0.024 0.014  0.024  61  GLU CCC N   
2344 C CA  . GLU B 62  ? 0.881 0.898 0.792 -0.023 0.005  0.040  61  GLU CCC CA  
2345 C C   . GLU B 62  ? 0.934 0.960 0.885 -0.017 0.024  0.041  61  GLU CCC C   
2346 O O   . GLU B 62  ? 0.915 0.938 0.892 -0.014 0.028  0.048  61  GLU CCC O   
2347 C CB  . GLU B 62  ? 0.893 0.910 0.809 -0.027 -0.017 0.050  61  GLU CCC CB  
2348 C CG  . GLU B 62  ? 0.944 0.948 0.860 -0.027 -0.044 0.062  61  GLU CCC CG  
2349 C CD  . GLU B 62  ? 0.963 0.960 0.866 -0.033 -0.072 0.063  61  GLU CCC CD  
2350 O OE1 . GLU B 62  ? 0.983 0.990 0.896 -0.038 -0.066 0.057  61  GLU CCC OE1 
2351 O OE2 . GLU B 62  ? 1.008 0.986 0.891 -0.032 -0.101 0.069  61  GLU CCC OE2 
2352 N N   . GLN B 63  ? 0.968 1.000 0.919 -0.014 0.038  0.036  62  GLN CCC N   
2353 C CA  . GLN B 63  ? 1.012 1.042 0.987 -0.007 0.065  0.036  62  GLN CCC CA  
2354 C C   . GLN B 63  ? 0.997 1.017 0.954 -0.004 0.079  0.018  62  GLN CCC C   
2355 O O   . GLN B 63  ? 1.018 1.033 1.009 -0.001 0.095  0.021  62  GLN CCC O   
2356 C CB  . GLN B 63  ? 1.082 1.111 1.041 -0.001 0.081  0.036  62  GLN CCC CB  
2357 C CG  . GLN B 63  ? 1.174 1.193 1.157 0.010  0.116  0.042  62  GLN CCC CG  
2358 C CD  . GLN B 63  ? 1.247 1.255 1.198 0.020  0.137  0.044  62  GLN CCC CD  
2359 O OE1 . GLN B 63  ? 1.278 1.288 1.269 0.022  0.149  0.062  62  GLN CCC OE1 
2360 N NE2 . GLN B 63  ? 1.281 1.273 1.160 0.026  0.140  0.026  62  GLN CCC NE2 
2361 N N   . ASP B 64  ? 0.957 0.974 0.874 -0.007 0.072  -0.001 63  ASP CCC N   
2362 C CA  . ASP B 64  ? 0.949 0.957 0.852 -0.006 0.080  -0.026 63  ASP CCC CA  
2363 C C   . ASP B 64  ? 0.908 0.912 0.842 -0.011 0.080  -0.027 63  ASP CCC C   
2364 O O   . ASP B 64  ? 0.893 0.888 0.832 -0.011 0.089  -0.049 63  ASP CCC O   
2365 C CB  . ASP B 64  ? 0.975 0.983 0.836 -0.005 0.065  -0.044 63  ASP CCC CB  
2366 C CG  . ASP B 64  ? 1.007 1.010 0.828 0.005  0.072  -0.042 63  ASP CCC CG  
2367 O OD1 . ASP B 64  ? 1.049 1.043 0.879 0.012  0.094  -0.030 63  ASP CCC OD1 
2368 O OD2 . ASP B 64  ? 1.020 1.025 0.806 0.007  0.057  -0.051 63  ASP CCC OD2 
2369 N N   . THR B 65  ? 0.894 0.903 0.799 -0.020 0.007  -0.066 64  THR CCC N   
2370 C CA  . THR B 65  ? 0.873 0.860 0.783 -0.008 0.010  -0.075 64  THR CCC CA  
2371 C C   . THR B 65  ? 0.892 0.867 0.820 0.008  0.023  -0.086 64  THR CCC C   
2372 O O   . THR B 65  ? 0.922 0.885 0.868 0.018  0.023  -0.084 64  THR CCC O   
2373 C CB  . THR B 65  ? 0.841 0.833 0.769 0.003  -0.001 -0.060 64  THR CCC CB  
2374 O OG1 . THR B 65  ? 0.793 0.793 0.737 0.014  -0.001 -0.058 64  THR CCC OG1 
2375 C CG2 . THR B 65  ? 0.841 0.845 0.769 -0.008 -0.010 -0.043 64  THR CCC CG2 
2376 N N   . ALA B 66  ? 0.877 0.862 0.811 0.009  0.033  -0.089 65  ALA CCC N   
2377 C CA  . ALA B 66  ? 0.902 0.884 0.868 0.024  0.047  -0.092 65  ALA CCC CA  
2378 C C   . ALA B 66  ? 0.883 0.874 0.877 0.037  0.031  -0.074 65  ALA CCC C   
2379 O O   . ALA B 66  ? 0.886 0.875 0.916 0.048  0.037  -0.066 65  ALA CCC O   
2380 C CB  . ALA B 66  ? 0.939 0.894 0.911 0.025  0.072  -0.109 65  ALA CCC CB  
2381 N N   . GLY B 67  ? 0.877 0.879 0.860 0.034  0.014  -0.066 66  GLY CCC N   
2382 C CA  . GLY B 67  ? 0.873 0.884 0.866 0.035  0.001  -0.055 66  GLY CCC CA  
2383 C C   . GLY B 67  ? 0.865 0.870 0.859 0.036  -0.005 -0.049 66  GLY CCC C   
2384 O O   . GLY B 67  ? 0.899 0.918 0.900 0.031  -0.017 -0.035 66  GLY CCC O   
2385 N N   . ARG B 68  ? 0.887 0.878 0.872 0.036  0.000  -0.055 67  ARG CCC N   
2386 C CA  . ARG B 68  ? 0.891 0.879 0.880 0.036  -0.006 -0.046 67  ARG CCC CA  
2387 C C   . ARG B 68  ? 0.839 0.828 0.802 0.029  -0.012 -0.048 67  ARG CCC C   
2388 O O   . ARG B 68  ? 0.800 0.783 0.752 0.026  -0.008 -0.053 67  ARG CCC O   
2389 C CB  . ARG B 68  ? 0.963 0.928 0.964 0.038  0.006  -0.052 67  ARG CCC CB  
2390 C CG  . ARG B 68  ? 1.030 0.989 1.071 0.048  0.022  -0.052 67  ARG CCC CG  
2391 C CD  . ARG B 68  ? 1.087 1.056 1.181 0.056  0.017  -0.025 67  ARG CCC CD  
2392 N NE  . ARG B 68  ? 1.167 1.115 1.313 0.067  0.043  -0.027 67  ARG CCC NE  
2393 C CZ  . ARG B 68  ? 1.241 1.156 1.405 0.068  0.059  -0.037 67  ARG CCC CZ  
2394 N NH1 . ARG B 68  ? 1.241 1.145 1.373 0.058  0.047  -0.041 67  ARG CCC NH1 
2395 N NH2 . ARG B 68  ? 1.279 1.170 1.498 0.080  0.092  -0.043 67  ARG CCC NH2 
2396 N N   . PRO B 69  ? 0.823 0.825 0.777 0.023  -0.018 -0.042 68  PRO CCC N   
2397 C CA  . PRO B 69  ? 0.819 0.821 0.756 0.019  -0.013 -0.047 68  PRO CCC CA  
2398 C C   . PRO B 69  ? 0.803 0.803 0.741 0.020  -0.013 -0.039 68  PRO CCC C   
2399 O O   . PRO B 69  ? 0.798 0.797 0.736 0.020  -0.006 -0.040 68  PRO CCC O   
2400 C CB  . PRO B 69  ? 0.847 0.861 0.766 0.006  -0.016 -0.047 68  PRO CCC CB  
2401 C CG  . PRO B 69  ? 0.847 0.873 0.777 0.002  -0.028 -0.036 68  PRO CCC CG  
2402 C CD  . PRO B 69  ? 0.825 0.844 0.787 0.016  -0.028 -0.028 68  PRO CCC CD  
2403 N N   . GLU B 70  ? 0.810 0.810 0.758 0.020  -0.021 -0.028 69  GLU CCC N   
2404 C CA  . GLU B 70  ? 0.824 0.820 0.775 0.017  -0.024 -0.019 69  GLU CCC CA  
2405 C C   . GLU B 70  ? 0.809 0.790 0.757 0.015  -0.021 -0.026 69  GLU CCC C   
2406 O O   . GLU B 70  ? 0.810 0.793 0.757 0.009  -0.025 -0.016 69  GLU CCC O   
2407 C CB  . GLU B 70  ? 0.855 0.851 0.830 0.017  -0.032 -0.004 69  GLU CCC CB  
2408 C CG  . GLU B 70  ? 0.911 0.886 0.911 0.024  -0.026 -0.010 69  GLU CCC CG  
2409 C CD  . GLU B 70  ? 0.934 0.922 0.957 0.029  -0.027 -0.002 69  GLU CCC CD  
2410 O OE1 . GLU B 70  ? 0.917 0.920 0.919 0.026  -0.030 -0.006 69  GLU CCC OE1 
2411 O OE2 . GLU B 70  ? 0.959 0.942 1.027 0.035  -0.024 0.012  69  GLU CCC OE2 
2412 N N   . PHE B 71  ? 0.783 0.756 0.728 0.015  -0.017 -0.038 70  PHE CCC N   
2413 C CA  . PHE B 71  ? 0.783 0.750 0.714 0.003  -0.017 -0.042 70  PHE CCC CA  
2414 C C   . PHE B 71  ? 0.748 0.736 0.685 0.001  -0.019 -0.029 70  PHE CCC C   
2415 O O   . PHE B 71  ? 0.780 0.775 0.713 -0.014 -0.026 -0.016 70  PHE CCC O   
2416 C CB  . PHE B 71  ? 0.814 0.769 0.736 -0.001 -0.008 -0.059 70  PHE CCC CB  
2417 C CG  . PHE B 71  ? 0.847 0.776 0.777 0.001  0.004  -0.073 70  PHE CCC CG  
2418 C CD1 . PHE B 71  ? 0.869 0.784 0.815 0.002  0.002  -0.067 70  PHE CCC CD1 
2419 C CD2 . PHE B 71  ? 0.882 0.800 0.813 0.002  0.021  -0.090 70  PHE CCC CD2 
2420 C CE1 . PHE B 71  ? 0.903 0.790 0.874 0.006  0.017  -0.077 70  PHE CCC CE1 
2421 C CE2 . PHE B 71  ? 0.915 0.805 0.868 0.007  0.041  -0.103 70  PHE CCC CE2 
2422 C CZ  . PHE B 71  ? 0.921 0.795 0.899 0.010  0.039  -0.096 70  PHE CCC CZ  
2423 N N   . LEU B 72  ? 0.774 0.636 0.673 -0.009 -0.023 -0.022 71  LEU CCC N   
2424 C CA  . LEU B 72  ? 0.786 0.635 0.680 -0.011 -0.031 -0.014 71  LEU CCC CA  
2425 C C   . LEU B 72  ? 0.762 0.604 0.662 -0.005 -0.032 -0.020 71  LEU CCC C   
2426 O O   . LEU B 72  ? 0.774 0.614 0.671 -0.004 -0.036 -0.021 71  LEU CCC O   
2427 C CB  . LEU B 72  ? 0.788 0.626 0.683 -0.013 -0.037 -0.006 71  LEU CCC CB  
2428 C CG  . LEU B 72  ? 0.790 0.612 0.688 -0.012 -0.051 -0.004 71  LEU CCC CG  
2429 C CD1 . LEU B 72  ? 0.792 0.617 0.685 -0.020 -0.060 0.007  71  LEU CCC CD1 
2430 C CD2 . LEU B 72  ? 0.817 0.626 0.722 -0.012 -0.062 -0.001 71  LEU CCC CD2 
2431 N N   . THR B 73  ? 0.743 0.586 0.653 -0.002 -0.029 -0.022 72  THR CCC N   
2432 C CA  . THR B 73  ? 0.736 0.585 0.653 0.000  -0.030 -0.023 72  THR CCC CA  
2433 C C   . THR B 73  ? 0.731 0.579 0.650 -0.001 -0.032 -0.026 72  THR CCC C   
2434 O O   . THR B 73  ? 0.724 0.575 0.641 0.000  -0.036 -0.027 72  THR CCC O   
2435 C CB  . THR B 73  ? 0.712 0.571 0.641 -0.002 -0.029 -0.018 72  THR CCC CB  
2436 O OG1 . THR B 73  ? 0.726 0.591 0.652 0.000  -0.028 -0.019 72  THR CCC OG1 
2437 C CG2 . THR B 73  ? 0.704 0.582 0.644 -0.005 -0.032 -0.013 72  THR CCC CG2 
2438 N N   . ARG B 74  ? 0.742 0.588 0.666 -0.001 -0.031 -0.032 73  ARG CCC N   
2439 C CA  . ARG B 74  ? 0.767 0.613 0.696 -0.000 -0.036 -0.041 73  ARG CCC CA  
2440 C C   . ARG B 74  ? 0.768 0.619 0.682 -0.001 -0.036 -0.042 73  ARG CCC C   
2441 O O   . ARG B 74  ? 0.787 0.637 0.702 -0.002 -0.040 -0.043 73  ARG CCC O   
2442 C CB  . ARG B 74  ? 0.774 0.622 0.714 0.003  -0.037 -0.054 73  ARG CCC CB  
2443 C CG  . ARG B 74  ? 0.791 0.634 0.749 0.006  -0.049 -0.066 73  ARG CCC CG  
2444 C CD  . ARG B 74  ? 0.776 0.605 0.760 0.002  -0.061 -0.056 73  ARG CCC CD  
2445 N NE  . ARG B 74  ? 0.764 0.590 0.760 0.004  -0.060 -0.054 73  ARG CCC NE  
2446 C CZ  . ARG B 74  ? 0.788 0.613 0.801 0.012  -0.066 -0.071 73  ARG CCC CZ  
2447 N NH1 . ARG B 74  ? 0.811 0.638 0.832 0.021  -0.074 -0.096 73  ARG CCC NH1 
2448 N NH2 . ARG B 74  ? 0.793 0.618 0.816 0.013  -0.065 -0.067 73  ARG CCC NH2 
2449 N N   . LEU B 75  ? 0.770 0.627 0.670 -0.003 -0.033 -0.039 74  LEU CCC N   
2450 C CA  . LEU B 75  ? 0.801 0.666 0.688 -0.008 -0.036 -0.035 74  LEU CCC CA  
2451 C C   . LEU B 75  ? 0.791 0.643 0.678 -0.006 -0.042 -0.027 74  LEU CCC C   
2452 O O   . LEU B 75  ? 0.810 0.667 0.694 -0.008 -0.047 -0.026 74  LEU CCC O   
2453 C CB  . LEU B 75  ? 0.829 0.709 0.707 -0.015 -0.036 -0.025 74  LEU CCC CB  
2454 C CG  . LEU B 75  ? 0.847 0.757 0.722 -0.015 -0.029 -0.036 74  LEU CCC CG  
2455 C CD1 . LEU B 75  ? 0.850 0.781 0.718 -0.025 -0.029 -0.022 74  LEU CCC CD1 
2456 C CD2 . LEU B 75  ? 0.857 0.795 0.727 -0.016 -0.030 -0.047 74  LEU CCC CD2 
2457 N N   . ASN B 76  ? 0.773 0.616 0.667 -0.003 -0.044 -0.025 75  ASN CCC N   
2458 C CA  . ASN B 76  ? 0.768 0.608 0.667 0.003  -0.051 -0.025 75  ASN CCC CA  
2459 C C   . ASN B 76  ? 0.758 0.609 0.662 0.005  -0.049 -0.029 75  ASN CCC C   
2460 O O   . ASN B 76  ? 0.735 0.588 0.639 0.007  -0.054 -0.029 75  ASN CCC O   
2461 C CB  . ASN B 76  ? 0.769 0.608 0.676 0.009  -0.053 -0.029 75  ASN CCC CB  
2462 C CG  . ASN B 76  ? 0.772 0.597 0.678 0.007  -0.061 -0.023 75  ASN CCC CG  
2463 O OD1 . ASN B 76  ? 0.766 0.584 0.667 0.000  -0.068 -0.014 75  ASN CCC OD1 
2464 N ND2 . ASN B 76  ? 0.758 0.581 0.668 0.011  -0.061 -0.027 75  ASN CCC ND2 
2465 N N   . GLU B 77  ? 0.781 0.636 0.691 0.002  -0.044 -0.029 76  GLU CCC N   
2466 C CA  . GLU B 77  ? 0.805 0.670 0.724 -0.001 -0.047 -0.027 76  GLU CCC CA  
2467 C C   . GLU B 77  ? 0.827 0.686 0.742 -0.003 -0.050 -0.031 76  GLU CCC C   
2468 O O   . GLU B 77  ? 0.837 0.705 0.755 -0.004 -0.055 -0.029 76  GLU CCC O   
2469 C CB  . GLU B 77  ? 0.799 0.666 0.733 -0.006 -0.048 -0.022 76  GLU CCC CB  
2470 C CG  . GLU B 77  ? 0.798 0.682 0.737 -0.006 -0.045 -0.015 76  GLU CCC CG  
2471 C CD  . GLU B 77  ? 0.794 0.677 0.748 -0.013 -0.048 -0.007 76  GLU CCC CD  
2472 O OE1 . GLU B 77  ? 0.817 0.680 0.779 -0.014 -0.052 -0.012 76  GLU CCC OE1 
2473 O OE2 . GLU B 77  ? 0.819 0.725 0.781 -0.018 -0.048 0.004  76  GLU CCC OE2 
2474 N N   . MET B 78  ? 0.860 0.713 0.769 -0.003 -0.049 -0.038 77  MET CCC N   
2475 C CA  . MET B 78  ? 0.889 0.748 0.793 -0.005 -0.052 -0.046 77  MET CCC CA  
2476 C C   . MET B 78  ? 0.877 0.740 0.770 -0.006 -0.054 -0.039 77  MET CCC C   
2477 O O   . MET B 78  ? 0.883 0.750 0.777 -0.008 -0.058 -0.041 77  MET CCC O   
2478 C CB  . MET B 78  ? 0.924 0.793 0.821 -0.005 -0.048 -0.056 77  MET CCC CB  
2479 C CG  . MET B 78  ? 0.955 0.821 0.867 -0.000 -0.050 -0.070 77  MET CCC CG  
2480 S SD  . MET B 78  ? 1.046 0.942 0.950 0.003  -0.045 -0.088 77  MET CCC SD  
2481 C CE  . MET B 78  ? 1.008 0.926 0.905 0.003  -0.051 -0.103 77  MET CCC CE  
2482 N N   A HIS B 79  ? 0.873 0.732 0.760 -0.006 -0.055 -0.031 78  HIS CCC N   
2483 N N   B HIS B 79  ? 0.868 0.728 0.755 -0.006 -0.055 -0.031 78  HIS CCC N   
2484 C CA  A HIS B 79  ? 0.887 0.746 0.771 -0.006 -0.063 -0.023 78  HIS CCC CA  
2485 C CA  B HIS B 79  ? 0.880 0.739 0.764 -0.006 -0.063 -0.023 78  HIS CCC CA  
2486 C C   A HIS B 79  ? 0.877 0.736 0.770 0.000  -0.067 -0.025 78  HIS CCC C   
2487 C C   B HIS B 79  ? 0.873 0.733 0.766 0.000  -0.067 -0.025 78  HIS CCC C   
2488 O O   A HIS B 79  ? 0.920 0.783 0.813 -0.000 -0.073 -0.023 78  HIS CCC O   
2489 O O   B HIS B 79  ? 0.917 0.780 0.810 -0.000 -0.073 -0.023 78  HIS CCC O   
2490 C CB  A HIS B 79  ? 0.891 0.741 0.776 -0.007 -0.069 -0.014 78  HIS CCC CB  
2491 C CB  B HIS B 79  ? 0.879 0.728 0.764 -0.007 -0.069 -0.014 78  HIS CCC CB  
2492 C CG  A HIS B 79  ? 0.903 0.744 0.795 -0.003 -0.084 -0.009 78  HIS CCC CG  
2493 C CG  B HIS B 79  ? 0.886 0.746 0.761 -0.019 -0.073 -0.002 78  HIS CCC CG  
2494 N ND1 A HIS B 79  ? 0.919 0.762 0.810 -0.012 -0.096 0.005  78  HIS CCC ND1 
2495 N ND1 B HIS B 79  ? 0.895 0.765 0.764 -0.024 -0.067 -0.001 78  HIS CCC ND1 
2496 C CD2 A HIS B 79  ? 0.916 0.753 0.822 0.009  -0.090 -0.017 78  HIS CCC CD2 
2497 C CD2 B HIS B 79  ? 0.899 0.769 0.770 -0.028 -0.083 0.011  78  HIS CCC CD2 
2498 C CE1 A HIS B 79  ? 0.933 0.764 0.838 -0.004 -0.111 0.005  78  HIS CCC CE1 
2499 C CE1 B HIS B 79  ? 0.918 0.810 0.779 -0.037 -0.072 0.013  78  HIS CCC CE1 
2500 N NE2 A HIS B 79  ? 0.935 0.764 0.849 0.010  -0.108 -0.011 78  HIS CCC NE2 
2501 N NE2 B HIS B 79  ? 0.928 0.821 0.790 -0.041 -0.083 0.022  78  HIS CCC NE2 
2502 N N   . ALA B 80  ? 0.856 0.721 0.758 0.005  -0.063 -0.029 79  ALA CCC N   
2503 C CA  . ALA B 80  ? 0.862 0.745 0.773 0.010  -0.065 -0.030 79  ALA CCC CA  
2504 C C   . ALA B 80  ? 0.874 0.764 0.786 0.003  -0.066 -0.027 79  ALA CCC C   
2505 O O   . ALA B 80  ? 0.862 0.766 0.778 0.005  -0.070 -0.027 79  ALA CCC O   
2506 C CB  . ALA B 80  ? 0.846 0.745 0.765 0.014  -0.062 -0.033 79  ALA CCC CB  
2507 N N   . ALA B 81  ? 0.882 0.764 0.796 -0.004 -0.064 -0.027 80  ALA CCC N   
2508 C CA  . ALA B 81  ? 0.904 0.790 0.828 -0.011 -0.070 -0.025 80  ALA CCC CA  
2509 C C   . ALA B 81  ? 0.941 0.818 0.857 -0.014 -0.074 -0.032 80  ALA CCC C   
2510 O O   . ALA B 81  ? 0.991 0.873 0.915 -0.019 -0.081 -0.030 80  ALA CCC O   
2511 C CB  . ALA B 81  ? 0.890 0.770 0.827 -0.016 -0.072 -0.022 80  ALA CCC CB  
2512 N N   . GLU B 82  ? 0.975 0.848 0.878 -0.012 -0.070 -0.040 81  GLU CCC N   
2513 C CA  . GLU B 82  ? 1.004 0.883 0.901 -0.014 -0.073 -0.051 81  GLU CCC CA  
2514 C C   . GLU B 82  ? 1.039 0.929 0.921 -0.016 -0.073 -0.044 81  GLU CCC C   
2515 O O   . GLU B 82  ? 1.053 0.947 0.926 -0.018 -0.071 -0.038 81  GLU CCC O   
2516 C CB  . GLU B 82  ? 1.017 0.898 0.912 -0.012 -0.070 -0.065 81  GLU CCC CB  
2517 C CG  . GLU B 82  ? 1.040 0.907 0.956 -0.010 -0.075 -0.072 81  GLU CCC CG  
2518 C CD  . GLU B 82  ? 1.055 0.914 0.989 -0.011 -0.089 -0.081 81  GLU CCC CD  
2519 O OE1 . GLU B 82  ? 1.068 0.937 0.996 -0.012 -0.093 -0.092 81  GLU CCC OE1 
2520 O OE2 . GLU B 82  ? 1.057 0.900 1.014 -0.014 -0.099 -0.076 81  GLU CCC OE2 
2521 N N   . PRO B 83  ? 1.077 0.972 0.958 -0.019 -0.079 -0.041 82  PRO CCC N   
2522 C CA  . PRO B 83  ? 1.113 1.020 0.984 -0.023 -0.083 -0.032 82  PRO CCC CA  
2523 C C   . PRO B 83  ? 1.166 1.095 1.023 -0.030 -0.081 -0.036 82  PRO CCC C   
2524 O O   . PRO B 83  ? 1.178 1.118 1.027 -0.036 -0.086 -0.020 82  PRO CCC O   
2525 C CB  . PRO B 83  ? 1.108 1.020 0.981 -0.025 -0.089 -0.033 82  PRO CCC CB  
2526 C CG  . PRO B 83  ? 1.086 0.989 0.975 -0.022 -0.089 -0.033 82  PRO CCC CG  
2527 C CD  . PRO B 83  ? 1.081 0.975 0.975 -0.020 -0.085 -0.042 82  PRO CCC CD  
2528 N N   . GLN B 84  ? 1.206 1.145 1.062 -0.028 -0.078 -0.055 83  GLN CCC N   
2529 C CA  . GLN B 84  ? 1.251 1.227 1.095 -0.032 -0.075 -0.066 83  GLN CCC CA  
2530 C C   . GLN B 84  ? 1.263 1.246 1.101 -0.035 -0.070 -0.052 83  GLN CCC C   
2531 O O   . GLN B 84  ? 1.284 1.306 1.109 -0.045 -0.070 -0.045 83  GLN CCC O   
2532 C CB  . GLN B 84  ? 1.304 1.285 1.159 -0.023 -0.076 -0.098 83  GLN CCC CB  
2533 C CG  . GLN B 84  ? 1.343 1.376 1.187 -0.023 -0.074 -0.119 83  GLN CCC CG  
2534 C CD  . GLN B 84  ? 1.375 1.410 1.236 -0.011 -0.081 -0.158 83  GLN CCC CD  
2535 O OE1 . GLN B 84  ? 1.339 1.350 1.214 -0.008 -0.092 -0.166 83  GLN CCC OE1 
2536 N NE2 . GLN B 84  ? 1.391 1.458 1.255 -0.002 -0.078 -0.182 83  GLN CCC NE2 
2537 N N   . MET B 85  ? 1.218 1.170 1.065 -0.030 -0.067 -0.048 84  MET CCC N   
2538 C CA  . MET B 85  ? 1.189 1.142 1.033 -0.033 -0.064 -0.035 84  MET CCC CA  
2539 C C   . MET B 85  ? 1.169 1.121 1.010 -0.043 -0.074 -0.008 84  MET CCC C   
2540 O O   . MET B 85  ? 1.209 1.187 1.043 -0.054 -0.077 0.007  84  MET CCC O   
2541 C CB  . MET B 85  ? 1.195 1.116 1.052 -0.024 -0.060 -0.037 84  MET CCC CB  
2542 C CG  . MET B 85  ? 1.216 1.137 1.070 -0.026 -0.057 -0.029 84  MET CCC CG  
2543 S SD  . MET B 85  ? 1.260 1.209 1.114 -0.023 -0.048 -0.049 84  MET CCC SD  
2544 C CE  . MET B 85  ? 1.271 1.225 1.121 -0.030 -0.047 -0.030 84  MET CCC CE  
2545 N N   . ARG B 86  ? 1.591 1.230 1.268 -0.150 -0.304 -0.319 85  ARG CCC N   
2546 C CA  . ARG B 86  ? 1.555 1.235 1.232 -0.147 -0.299 -0.304 85  ARG CCC CA  
2547 C C   . ARG B 86  ? 1.602 1.289 1.228 -0.125 -0.326 -0.322 85  ARG CCC C   
2548 O O   . ARG B 86  ? 1.599 1.295 1.176 -0.118 -0.323 -0.302 85  ARG CCC O   
2549 C CB  . ARG B 86  ? 1.527 1.229 1.276 -0.172 -0.304 -0.310 85  ARG CCC CB  
2550 C CG  . ARG B 86  ? 1.489 1.207 1.274 -0.201 -0.269 -0.288 85  ARG CCC CG  
2551 C CD  . ARG B 86  ? 1.505 1.181 1.290 -0.237 -0.252 -0.280 85  ARG CCC CD  
2552 N NE  . ARG B 86  ? 1.549 1.219 1.374 -0.275 -0.263 -0.305 85  ARG CCC NE  
2553 C CZ  . ARG B 86  ? 1.537 1.257 1.428 -0.316 -0.248 -0.324 85  ARG CCC CZ  
2554 N NH1 . ARG B 86  ? 1.467 1.247 1.394 -0.318 -0.225 -0.322 85  ARG CCC NH1 
2555 N NH2 . ARG B 86  ? 1.568 1.282 1.491 -0.357 -0.257 -0.350 85  ARG CCC NH2 
2556 N N   . GLU B 87  ? 1.657 1.331 1.284 -0.119 -0.355 -0.356 86  GLU CCC N   
2557 C CA  . GLU B 87  ? 1.720 1.394 1.286 -0.102 -0.385 -0.377 86  GLU CCC CA  
2558 C C   . GLU B 87  ? 1.749 1.432 1.231 -0.094 -0.360 -0.378 86  GLU CCC C   
2559 O O   . GLU B 87  ? 1.779 1.464 1.183 -0.098 -0.362 -0.364 86  GLU CCC O   
2560 C CB  . GLU B 87  ? 1.781 1.440 1.373 -0.098 -0.418 -0.418 86  GLU CCC CB  
2561 C CG  . GLU B 87  ? 1.780 1.444 1.447 -0.110 -0.448 -0.431 86  GLU CCC CG  
2562 C CD  . GLU B 87  ? 1.829 1.479 1.511 -0.104 -0.487 -0.474 86  GLU CCC CD  
2563 O OE1 . GLU B 87  ? 1.894 1.536 1.507 -0.083 -0.510 -0.493 86  GLU CCC OE1 
2564 O OE2 . GLU B 87  ? 1.841 1.486 1.598 -0.127 -0.492 -0.490 86  GLU CCC OE2 
2565 N N   . GLN B 88  ? 1.746 1.433 1.245 -0.087 -0.341 -0.399 87  GLN CCC N   
2566 C CA  . GLN B 88  ? 1.778 1.497 1.229 -0.078 -0.314 -0.423 87  GLN CCC CA  
2567 C C   . GLN B 88  ? 1.743 1.485 1.151 -0.092 -0.276 -0.387 87  GLN CCC C   
2568 O O   . GLN B 88  ? 1.787 1.558 1.115 -0.103 -0.259 -0.399 87  GLN CCC O   
2569 C CB  . GLN B 88  ? 1.781 1.489 1.290 -0.060 -0.316 -0.455 87  GLN CCC CB  
2570 C CG  . GLN B 88  ? 1.817 1.574 1.306 -0.041 -0.300 -0.511 87  GLN CCC CG  
2571 C CD  . GLN B 88  ? 1.847 1.578 1.392 -0.013 -0.336 -0.566 87  GLN CCC CD  
2572 O OE1 . GLN B 88  ? 1.855 1.563 1.407 -0.006 -0.371 -0.593 87  GLN CCC OE1 
2573 N NE2 . GLN B 88  ? 1.840 1.568 1.429 0.006  -0.335 -0.583 87  GLN CCC NE2 
2574 N N   . THR B 89  ? 1.659 1.390 1.111 -0.098 -0.263 -0.346 88  THR CCC N   
2575 C CA  . THR B 89  ? 1.616 1.368 1.045 -0.108 -0.227 -0.316 88  THR CCC CA  
2576 C C   . THR B 89  ? 1.598 1.332 0.989 -0.124 -0.237 -0.272 88  THR CCC C   
2577 O O   . THR B 89  ? 1.585 1.329 0.916 -0.140 -0.215 -0.252 88  THR CCC O   
2578 C CB  . THR B 89  ? 1.583 1.328 1.079 -0.102 -0.211 -0.303 88  THR CCC CB  
2579 O OG1 . THR B 89  ? 1.553 1.269 1.094 -0.112 -0.224 -0.274 88  THR CCC OG1 
2580 C CG2 . THR B 89  ? 1.605 1.341 1.138 -0.082 -0.221 -0.345 88  THR CCC CG2 
2581 N N   . GLY B 90  ? 1.558 1.269 0.988 -0.121 -0.272 -0.263 89  GLY CCC N   
2582 C CA  . GLY B 90  ? 1.530 1.222 0.952 -0.126 -0.296 -0.233 89  GLY CCC CA  
2583 C C   . GLY B 90  ? 1.428 1.134 0.912 -0.129 -0.272 -0.207 89  GLY CCC C   
2584 O O   . GLY B 90  ? 1.428 1.123 0.918 -0.129 -0.293 -0.188 89  GLY CCC O   
2585 N N   . VAL B 91  ? 1.339 1.061 0.864 -0.130 -0.236 -0.210 90  VAL CCC N   
2586 C CA  . VAL B 91  ? 1.269 1.001 0.845 -0.136 -0.211 -0.188 90  VAL CCC CA  
2587 C C   . VAL B 91  ? 1.243 0.981 0.896 -0.146 -0.222 -0.198 90  VAL CCC C   
2588 O O   . VAL B 91  ? 1.268 0.996 0.943 -0.154 -0.225 -0.217 90  VAL CCC O   
2589 C CB  . VAL B 91  ? 1.238 0.971 0.814 -0.134 -0.180 -0.189 90  VAL CCC CB  
2590 C CG1 . VAL B 91  ? 1.207 0.942 0.820 -0.142 -0.159 -0.165 90  VAL CCC CG1 
2591 C CG2 . VAL B 91  ? 1.260 1.011 0.776 -0.129 -0.162 -0.195 90  VAL CCC CG2 
2592 N N   . THR B 92  ? 1.220 0.979 0.915 -0.149 -0.229 -0.192 91  THR CCC N   
2593 C CA  . THR B 92  ? 1.193 0.985 0.975 -0.165 -0.231 -0.216 91  THR CCC CA  
2594 C C   . THR B 92  ? 1.170 0.979 0.979 -0.186 -0.190 -0.202 91  THR CCC C   
2595 O O   . THR B 92  ? 1.194 0.992 0.968 -0.178 -0.173 -0.174 91  THR CCC O   
2596 C CB  . THR B 92  ? 1.207 1.021 1.032 -0.148 -0.274 -0.238 91  THR CCC CB  
2597 O OG1 . THR B 92  ? 1.184 0.995 0.995 -0.136 -0.278 -0.216 91  THR CCC OG1 
2598 C CG2 . THR B 92  ? 1.276 1.058 1.055 -0.129 -0.323 -0.249 91  THR CCC CG2 
2599 N N   . PRO B 93  ? 1.163 1.001 1.030 -0.221 -0.173 -0.224 92  PRO CCC N   
2600 C CA  . PRO B 93  ? 1.132 0.984 1.010 -0.250 -0.134 -0.212 92  PRO CCC CA  
2601 C C   . PRO B 93  ? 1.077 0.968 0.986 -0.232 -0.131 -0.210 92  PRO CCC C   
2602 O O   . PRO B 93  ? 1.053 0.934 0.937 -0.238 -0.105 -0.185 92  PRO CCC O   
2603 C CB  . PRO B 93  ? 1.148 1.037 1.082 -0.302 -0.118 -0.246 92  PRO CCC CB  
2604 C CG  . PRO B 93  ? 1.187 1.058 1.125 -0.298 -0.147 -0.267 92  PRO CCC CG  
2605 C CD  . PRO B 93  ? 1.183 1.045 1.103 -0.241 -0.187 -0.263 92  PRO CCC CD  
2606 N N   . GLU B 94  ? 1.075 1.001 1.036 -0.207 -0.167 -0.238 93  GLU CCC N   
2607 C CA  . GLU B 94  ? 1.082 1.032 1.075 -0.181 -0.184 -0.242 93  GLU CCC CA  
2608 C C   . GLU B 94  ? 1.070 0.962 0.976 -0.161 -0.184 -0.190 93  GLU CCC C   
2609 O O   . GLU B 94  ? 1.029 0.928 0.941 -0.157 -0.172 -0.177 93  GLU CCC O   
2610 C CB  . GLU B 94  ? 1.137 1.103 1.185 -0.150 -0.246 -0.282 93  GLU CCC CB  
2611 C CG  . GLU B 94  ? 1.153 1.203 1.317 -0.167 -0.248 -0.352 93  GLU CCC CG  
2612 C CD  . GLU B 94  ? 1.209 1.256 1.374 -0.185 -0.252 -0.369 93  GLU CCC CD  
2613 O OE1 . GLU B 94  ? 1.271 1.249 1.355 -0.169 -0.275 -0.337 93  GLU CCC OE1 
2614 O OE2 . GLU B 94  ? 1.229 1.347 1.477 -0.221 -0.229 -0.420 93  GLU CCC OE2 
2615 N N   . MET B 95  ? 1.110 0.953 0.942 -0.152 -0.196 -0.168 94  MET CCC N   
2616 C CA  . MET B 95  ? 1.123 0.923 0.870 -0.142 -0.192 -0.130 94  MET CCC CA  
2617 C C   . MET B 95  ? 1.074 0.876 0.808 -0.154 -0.145 -0.110 94  MET CCC C   
2618 O O   . MET B 95  ? 1.018 0.815 0.732 -0.150 -0.134 -0.088 94  MET CCC O   
2619 C CB  . MET B 95  ? 1.180 0.947 0.858 -0.139 -0.208 -0.127 94  MET CCC CB  
2620 C CG  . MET B 95  ? 1.236 0.971 0.826 -0.139 -0.209 -0.099 94  MET CCC CG  
2621 S SD  . MET B 95  ? 1.382 1.081 0.887 -0.140 -0.246 -0.107 94  MET CCC SD  
2622 C CE  . MET B 95  ? 1.383 1.107 0.874 -0.145 -0.201 -0.125 94  MET CCC CE  
2623 N N   . ILE B 96  ? 1.047 0.846 0.789 -0.169 -0.126 -0.119 95  ILE CCC N   
2624 C CA  . ILE B 96  ? 1.019 0.800 0.742 -0.179 -0.097 -0.103 95  ILE CCC CA  
2625 C C   . ILE B 96  ? 0.961 0.765 0.716 -0.189 -0.079 -0.096 95  ILE CCC C   
2626 O O   . ILE B 96  ? 0.918 0.712 0.652 -0.183 -0.064 -0.077 95  ILE CCC O   
2627 C CB  . ILE B 96  ? 1.052 0.801 0.768 -0.198 -0.097 -0.113 95  ILE CCC CB  
2628 C CG1 . ILE B 96  ? 1.099 0.825 0.785 -0.180 -0.117 -0.126 95  ILE CCC CG1 
2629 C CG2 . ILE B 96  ? 1.052 0.764 0.745 -0.212 -0.082 -0.097 95  ILE CCC CG2 
2630 C CD1 . ILE B 96  ? 1.166 0.848 0.846 -0.196 -0.130 -0.139 95  ILE CCC CD1 
2631 N N   . ASP B 97  ? 0.957 0.803 0.769 -0.203 -0.081 -0.119 96  ASP CCC N   
2632 C CA  . ASP B 97  ? 0.930 0.816 0.783 -0.215 -0.062 -0.127 96  ASP CCC CA  
2633 C C   . ASP B 97  ? 0.907 0.795 0.763 -0.183 -0.077 -0.113 96  ASP CCC C   
2634 O O   . ASP B 97  ? 0.887 0.778 0.739 -0.185 -0.058 -0.100 96  ASP CCC O   
2635 C CB  . ASP B 97  ? 0.940 0.890 0.871 -0.237 -0.060 -0.174 96  ASP CCC CB  
2636 C CG  . ASP B 97  ? 0.961 0.964 0.933 -0.257 -0.031 -0.193 96  ASP CCC CG  
2637 O OD1 . ASP B 97  ? 0.992 0.974 0.918 -0.292 0.002  -0.174 96  ASP CCC OD1 
2638 O OD2 . ASP B 97  ? 0.992 1.049 1.035 -0.235 -0.050 -0.226 96  ASP CCC OD2 
2639 N N   . PHE B 98  ? 0.910 0.786 0.762 -0.160 -0.115 -0.115 97  PHE CCC N   
2640 C CA  . PHE B 98  ? 0.913 0.768 0.747 -0.138 -0.141 -0.096 97  PHE CCC CA  
2641 C C   . PHE B 98  ? 0.887 0.713 0.658 -0.142 -0.113 -0.059 97  PHE CCC C   
2642 O O   . PHE B 98  ? 0.843 0.671 0.620 -0.139 -0.106 -0.046 97  PHE CCC O   
2643 C CB  . PHE B 98  ? 0.989 0.809 0.798 -0.123 -0.194 -0.098 97  PHE CCC CB  
2644 C CG  . PHE B 98  ? 1.046 0.815 0.801 -0.115 -0.226 -0.068 97  PHE CCC CG  
2645 C CD1 . PHE B 98  ? 1.066 0.835 0.868 -0.099 -0.258 -0.078 97  PHE CCC CD1 
2646 C CD2 . PHE B 98  ? 1.124 0.844 0.778 -0.128 -0.223 -0.034 97  PHE CCC CD2 
2647 C CE1 . PHE B 98  ? 1.146 0.849 0.888 -0.098 -0.295 -0.046 97  PHE CCC CE1 
2648 C CE2 . PHE B 98  ? 1.198 0.862 0.786 -0.136 -0.251 -0.003 97  PHE CCC CE2 
2649 C CZ  . PHE B 98  ? 1.213 0.860 0.841 -0.121 -0.290 -0.005 97  PHE CCC CZ  
2650 N N   . ILE B 99  ? 0.888 0.695 0.609 -0.147 -0.100 -0.051 98  ILE CCC N   
2651 C CA  . ILE B 99  ? 0.904 0.700 0.581 -0.148 -0.075 -0.034 98  ILE CCC CA  
2652 C C   . ILE B 99  ? 0.862 0.667 0.566 -0.150 -0.050 -0.032 98  ILE CCC C   
2653 O O   . ILE B 99  ? 0.873 0.679 0.569 -0.146 -0.038 -0.020 98  ILE CCC O   
2654 C CB  . ILE B 99  ? 0.944 0.732 0.584 -0.149 -0.071 -0.045 98  ILE CCC CB  
2655 C CG1 . ILE B 99  ? 0.997 0.771 0.586 -0.153 -0.094 -0.043 98  ILE CCC CG1 
2656 C CG2 . ILE B 99  ? 0.945 0.740 0.571 -0.145 -0.047 -0.049 98  ILE CCC CG2 
2657 C CD1 . ILE B 99  ? 1.043 0.805 0.579 -0.166 -0.093 -0.021 98  ILE CCC CD1 
2658 N N   . THR B 100 ? 0.856 0.662 0.584 -0.162 -0.045 -0.043 99  THR CCC N   
2659 C CA  . THR B 100 ? 0.846 0.643 0.574 -0.174 -0.026 -0.038 99  THR CCC CA  
2660 C C   . THR B 100 ? 0.833 0.658 0.590 -0.171 -0.020 -0.034 99  THR CCC C   
2661 O O   . THR B 100 ? 0.818 0.631 0.561 -0.166 -0.010 -0.022 99  THR CCC O   
2662 C CB  . THR B 100 ? 0.870 0.657 0.600 -0.205 -0.021 -0.050 99  THR CCC CB  
2663 O OG1 . THR B 100 ? 0.903 0.654 0.605 -0.204 -0.035 -0.053 99  THR CCC OG1 
2664 C CG2 . THR B 100 ? 0.892 0.654 0.596 -0.230 -0.006 -0.040 99  THR CCC CG2 
2665 N N   . ARG B 101 ? 0.830 0.689 0.632 -0.169 -0.031 -0.050 100 ARG CCC N   
2666 C CA  . ARG B 101 ? 0.806 0.694 0.648 -0.161 -0.034 -0.056 100 ARG CCC CA  
2667 C C   . ARG B 101 ? 0.796 0.658 0.613 -0.142 -0.048 -0.031 100 ARG CCC C   
2668 O O   . ARG B 101 ? 0.760 0.626 0.585 -0.139 -0.039 -0.024 100 ARG CCC O   
2669 C CB  . ARG B 101 ? 0.822 0.754 0.731 -0.158 -0.055 -0.095 100 ARG CCC CB  
2670 C CG  . ARG B 101 ? 0.857 0.837 0.801 -0.191 -0.027 -0.129 100 ARG CCC CG  
2671 C CD  . ARG B 101 ? 0.860 0.912 0.896 -0.189 -0.043 -0.188 100 ARG CCC CD  
2672 N NE  . ARG B 101 ? 0.926 0.969 0.978 -0.174 -0.079 -0.199 100 ARG CCC NE  
2673 C CZ  . ARG B 101 ? 0.933 0.954 1.004 -0.137 -0.135 -0.204 100 ARG CCC CZ  
2674 N NH1 . ARG B 101 ? 0.935 0.940 1.015 -0.111 -0.163 -0.197 100 ARG CCC NH1 
2675 N NH2 . ARG B 101 ? 0.959 0.965 1.031 -0.127 -0.168 -0.214 100 ARG CCC NH2 
2676 N N   . ALA B 102 ? 0.811 0.646 0.591 -0.137 -0.066 -0.017 101 ALA CCC N   
2677 C CA  . ALA B 102 ? 0.835 0.643 0.574 -0.137 -0.073 0.008  101 ALA CCC CA  
2678 C C   . ALA B 102 ? 0.816 0.632 0.538 -0.141 -0.039 0.015  101 ALA CCC C   
2679 O O   . ALA B 102 ? 0.804 0.617 0.524 -0.143 -0.035 0.027  101 ALA CCC O   
2680 C CB  . ALA B 102 ? 0.894 0.671 0.577 -0.145 -0.095 0.018  101 ALA CCC CB  
2681 N N   . PHE B 103 ? 0.823 0.642 0.538 -0.141 -0.023 0.005  102 PHE CCC N   
2682 C CA  . PHE B 103 ? 0.830 0.652 0.540 -0.136 -0.004 -0.000 102 PHE CCC CA  
2683 C C   . PHE B 103 ? 0.830 0.651 0.564 -0.131 0.000  0.004  102 PHE CCC C   
2684 O O   . PHE B 103 ? 0.874 0.702 0.615 -0.125 0.007  0.004  102 PHE CCC O   
2685 C CB  . PHE B 103 ? 0.853 0.661 0.551 -0.132 -0.006 -0.017 102 PHE CCC CB  
2686 C CG  . PHE B 103 ? 0.868 0.676 0.570 -0.117 -0.003 -0.035 102 PHE CCC CG  
2687 C CD1 . PHE B 103 ? 0.895 0.741 0.602 -0.117 0.011  -0.050 102 PHE CCC CD1 
2688 C CD2 . PHE B 103 ? 0.913 0.681 0.612 -0.109 -0.019 -0.043 102 PHE CCC CD2 
2689 C CE1 . PHE B 103 ? 0.914 0.776 0.646 -0.099 0.011  -0.083 102 PHE CCC CE1 
2690 C CE2 . PHE B 103 ? 0.947 0.709 0.660 -0.087 -0.032 -0.068 102 PHE CCC CE2 
2691 C CZ  . PHE B 103 ? 0.917 0.735 0.657 -0.078 -0.016 -0.094 102 PHE CCC CZ  
2692 N N   . ALA B 104 ? 0.802 0.622 0.550 -0.139 -0.001 0.001  103 ALA CCC N   
2693 C CA  . ALA B 104 ? 0.780 0.604 0.542 -0.142 0.005  0.001  103 ALA CCC CA  
2694 C C   . ALA B 104 ? 0.757 0.600 0.547 -0.131 0.000  0.006  103 ALA CCC C   
2695 O O   . ALA B 104 ? 0.723 0.564 0.516 -0.125 0.005  0.009  103 ALA CCC O   
2696 C CB  . ALA B 104 ? 0.789 0.628 0.563 -0.163 0.012  -0.014 103 ALA CCC CB  
2697 N N   . GLU B 105 ? 0.750 0.600 0.554 -0.129 -0.017 0.007  104 GLU CCC N   
2698 C CA  . GLU B 105 ? 0.775 0.621 0.596 -0.122 -0.035 0.015  104 GLU CCC CA  
2699 C C   . GLU B 105 ? 0.775 0.609 0.568 -0.128 -0.024 0.032  104 GLU CCC C   
2700 O O   . GLU B 105 ? 0.813 0.646 0.621 -0.126 -0.028 0.037  104 GLU CCC O   
2701 C CB  . GLU B 105 ? 0.828 0.655 0.650 -0.120 -0.073 0.015  104 GLU CCC CB  
2702 C CG  . GLU B 105 ? 0.836 0.694 0.715 -0.110 -0.089 -0.018 104 GLU CCC CG  
2703 C CD  . GLU B 105 ? 0.837 0.732 0.778 -0.099 -0.091 -0.047 104 GLU CCC CD  
2704 O OE1 . GLU B 105 ? 0.852 0.734 0.793 -0.094 -0.094 -0.035 104 GLU CCC OE1 
2705 O OE2 . GLU B 105 ? 0.865 0.810 0.858 -0.100 -0.087 -0.088 104 GLU CCC OE2 
2706 N N   . SER B 106 ? 0.797 0.631 0.557 -0.136 -0.009 0.033  105 SER CCC N   
2707 C CA  . SER B 106 ? 0.835 0.681 0.581 -0.147 0.009  0.033  105 SER CCC CA  
2708 C C   . SER B 106 ? 0.804 0.665 0.585 -0.131 0.018  0.020  105 SER CCC C   
2709 O O   . SER B 106 ? 0.811 0.686 0.605 -0.137 0.026  0.019  105 SER CCC O   
2710 C CB  . SER B 106 ? 0.866 0.726 0.583 -0.157 0.024  0.020  105 SER CCC CB  
2711 O OG  . SER B 106 ? 0.858 0.727 0.594 -0.136 0.028  -0.003 105 SER CCC OG  
2712 N N   . LYS B 107 ? 0.773 0.623 0.560 -0.116 0.015  0.012  106 LYS CCC N   
2713 C CA  . LYS B 107 ? 0.758 0.602 0.560 -0.101 0.012  0.003  106 LYS CCC CA  
2714 C C   . LYS B 107 ? 0.730 0.577 0.551 -0.101 0.008  0.011  106 LYS CCC C   
2715 O O   . LYS B 107 ? 0.678 0.532 0.518 -0.093 0.007  0.006  106 LYS CCC O   
2716 C CB  . LYS B 107 ? 0.825 0.633 0.599 -0.097 0.002  -0.002 106 LYS CCC CB  
2717 C CG  . LYS B 107 ? 0.851 0.647 0.610 -0.093 -0.004 -0.015 106 LYS CCC CG  
2718 C CD  . LYS B 107 ? 0.859 0.683 0.645 -0.078 -0.003 -0.043 106 LYS CCC CD  
2719 C CE  . LYS B 107 ? 0.891 0.712 0.671 -0.069 -0.012 -0.067 106 LYS CCC CE  
2720 N NZ  . LYS B 107 ? 0.905 0.789 0.717 -0.069 0.006  -0.101 106 LYS CCC NZ  
2721 N N   . LEU B 108 ? 0.738 0.588 0.563 -0.107 0.004  0.014  107 LEU CCC N   
2722 C CA  . LEU B 108 ? 0.715 0.578 0.569 -0.104 -0.002 0.007  107 LEU CCC CA  
2723 C C   . LEU B 108 ? 0.710 0.573 0.588 -0.100 -0.016 0.016  107 LEU CCC C   
2724 O O   . LEU B 108 ? 0.736 0.606 0.639 -0.092 -0.022 0.009  107 LEU CCC O   
2725 C CB  . LEU B 108 ? 0.713 0.596 0.586 -0.110 -0.006 -0.008 107 LEU CCC CB  
2726 C CG  . LEU B 108 ? 0.730 0.616 0.576 -0.128 0.012  -0.019 107 LEU CCC CG  
2727 C CD1 . LEU B 108 ? 0.714 0.632 0.587 -0.139 0.013  -0.041 107 LEU CCC CD1 
2728 C CD2 . LEU B 108 ? 0.756 0.645 0.589 -0.137 0.023  -0.029 107 LEU CCC CD2 
2729 N N   . ALA B 109 ? 0.724 0.573 0.583 -0.112 -0.021 0.031  108 ALA CCC N   
2730 C CA  . ALA B 109 ? 0.748 0.579 0.607 -0.124 -0.036 0.046  108 ALA CCC CA  
2731 C C   . ALA B 109 ? 0.743 0.592 0.615 -0.126 -0.018 0.041  108 ALA CCC C   
2732 O O   . ALA B 109 ? 0.788 0.626 0.678 -0.131 -0.032 0.046  108 ALA CCC O   
2733 C CB  . ALA B 109 ? 0.812 0.616 0.622 -0.149 -0.044 0.065  108 ALA CCC CB  
2734 N N   . ILE B 110 ? 0.714 0.585 0.584 -0.122 0.004  0.027  109 ILE CCC N   
2735 C CA  . ILE B 110 ? 0.682 0.578 0.581 -0.117 0.014  0.008  109 ILE CCC CA  
2736 C C   . ILE B 110 ? 0.668 0.556 0.588 -0.091 0.000  0.001  109 ILE CCC C   
2737 O O   . ILE B 110 ? 0.645 0.540 0.595 -0.089 -0.006 -0.004 109 ILE CCC O   
2738 C CB  . ILE B 110 ? 0.674 0.596 0.573 -0.112 0.029  -0.017 109 ILE CCC CB  
2739 C CG1 . ILE B 110 ? 0.704 0.650 0.581 -0.145 0.050  -0.018 109 ILE CCC CG1 
2740 C CG2 . ILE B 110 ? 0.662 0.608 0.606 -0.093 0.025  -0.049 109 ILE CCC CG2 
2741 C CD1 . ILE B 110 ? 0.721 0.696 0.601 -0.138 0.062  -0.050 109 ILE CCC CD1 
2742 N N   . TRP B 111 ? 0.672 0.542 0.570 -0.080 -0.004 -0.001 110 TRP CCC N   
2743 C CA  . TRP B 111 ? 0.659 0.516 0.554 -0.067 -0.014 -0.009 110 TRP CCC CA  
2744 C C   . TRP B 111 ? 0.647 0.517 0.572 -0.066 -0.021 -0.010 110 TRP CCC C   
2745 O O   . TRP B 111 ? 0.676 0.545 0.608 -0.056 -0.029 -0.021 110 TRP CCC O   
2746 C CB  . TRP B 111 ? 0.665 0.498 0.513 -0.074 -0.012 -0.007 110 TRP CCC CB  
2747 C CG  . TRP B 111 ? 0.693 0.492 0.507 -0.067 -0.022 -0.010 110 TRP CCC CG  
2748 C CD1 . TRP B 111 ? 0.715 0.501 0.541 -0.047 -0.041 -0.026 110 TRP CCC CD1 
2749 C CD2 . TRP B 111 ? 0.724 0.491 0.493 -0.080 -0.023 -0.005 110 TRP CCC CD2 
2750 N NE1 . TRP B 111 ? 0.760 0.502 0.551 -0.041 -0.061 -0.032 110 TRP CCC NE1 
2751 C CE2 . TRP B 111 ? 0.767 0.492 0.517 -0.063 -0.049 -0.015 110 TRP CCC CE2 
2752 C CE3 . TRP B 111 ? 0.731 0.502 0.480 -0.102 -0.009 0.003  110 TRP CCC CE3 
2753 C CZ2 . TRP B 111 ? 0.828 0.503 0.532 -0.069 -0.065 -0.012 110 TRP CCC CZ2 
2754 C CZ3 . TRP B 111 ? 0.787 0.516 0.490 -0.114 -0.016 0.007  110 TRP CCC CZ3 
2755 C CH2 . TRP B 111 ? 0.844 0.520 0.521 -0.098 -0.045 0.002  110 TRP CCC CH2 
2756 N N   . ALA B 112 ? 0.630 0.505 0.571 -0.074 -0.027 -0.002 111 ALA CCC N   
2757 C CA  . ALA B 112 ? 0.650 0.529 0.628 -0.067 -0.048 -0.010 111 ALA CCC CA  
2758 C C   . ALA B 112 ? 0.663 0.536 0.666 -0.065 -0.058 -0.009 111 ALA CCC C   
2759 O O   . ALA B 112 ? 0.650 0.526 0.686 -0.053 -0.078 -0.023 111 ALA CCC O   
2760 C CB  . ALA B 112 ? 0.678 0.542 0.661 -0.073 -0.069 -0.002 111 ALA CCC CB  
2761 N N   A ARG B 113 ? 0.676 0.549 0.671 -0.076 -0.045 -0.000 112 ARG CCC N   
2762 N N   B ARG B 113 ? 0.671 0.545 0.666 -0.076 -0.045 -0.000 112 ARG CCC N   
2763 C CA  A ARG B 113 ? 0.681 0.560 0.706 -0.081 -0.049 -0.005 112 ARG CCC CA  
2764 C CA  B ARG B 113 ? 0.672 0.551 0.698 -0.081 -0.050 -0.005 112 ARG CCC CA  
2765 C C   A ARG B 113 ? 0.665 0.559 0.706 -0.057 -0.049 -0.028 112 ARG CCC C   
2766 C C   B ARG B 113 ? 0.654 0.547 0.695 -0.056 -0.051 -0.028 112 ARG CCC C   
2767 O O   A ARG B 113 ? 0.674 0.579 0.750 -0.057 -0.055 -0.039 112 ARG CCC O   
2768 O O   B ARG B 113 ? 0.634 0.532 0.710 -0.051 -0.062 -0.039 112 ARG CCC O   
2769 C CB  A ARG B 113 ? 0.708 0.599 0.726 -0.113 -0.030 0.002  112 ARG CCC CB  
2770 C CB  B ARG B 113 ? 0.698 0.590 0.718 -0.112 -0.030 0.001  112 ARG CCC CB  
2771 C CG  A ARG B 113 ? 0.762 0.621 0.743 -0.148 -0.037 0.030  112 ARG CCC CG  
2772 C CG  B ARG B 113 ? 0.754 0.612 0.740 -0.148 -0.039 0.030  112 ARG CCC CG  
2773 C CD  A ARG B 113 ? 0.802 0.677 0.768 -0.196 -0.012 0.033  112 ARG CCC CD  
2774 C CD  B ARG B 113 ? 0.791 0.669 0.761 -0.194 -0.012 0.031  112 ARG CCC CD  
2775 N NE  A ARG B 113 ? 0.797 0.718 0.754 -0.203 0.022  0.014  112 ARG CCC NE  
2776 N NE  B ARG B 113 ? 0.797 0.702 0.739 -0.202 0.015  0.024  112 ARG CCC NE  
2777 C CZ  A ARG B 113 ? 0.807 0.719 0.718 -0.211 0.029  0.025  112 ARG CCC CZ  
2778 C CZ  B ARG B 113 ? 0.767 0.732 0.736 -0.202 0.045  -0.011 112 ARG CCC CZ  
2779 N NH1 A ARG B 113 ? 0.813 0.669 0.683 -0.210 0.002  0.055  112 ARG CCC NH1 
2780 N NH1 B ARG B 113 ? 0.736 0.742 0.763 -0.194 0.050  -0.043 112 ARG CCC NH1 
2781 N NH2 A ARG B 113 ? 0.804 0.764 0.717 -0.215 0.058  -0.002 112 ARG CCC NH2 
2782 N NH2 B ARG B 113 ? 0.781 0.765 0.725 -0.206 0.063  -0.021 112 ARG CCC NH2 
2783 N N   . TYR B 114 ? 0.653 0.539 0.661 -0.043 -0.046 -0.034 113 TYR CCC N   
2784 C CA  . TYR B 114 ? 0.668 0.542 0.665 -0.023 -0.059 -0.052 113 TYR CCC CA  
2785 C C   . TYR B 114 ? 0.712 0.568 0.669 -0.020 -0.064 -0.055 113 TYR CCC C   
2786 O O   . TYR B 114 ? 0.797 0.635 0.738 -0.008 -0.082 -0.067 113 TYR CCC O   
2787 C CB  . TYR B 114 ? 0.690 0.553 0.667 -0.017 -0.060 -0.058 113 TYR CCC CB  
2788 C CG  . TYR B 114 ? 0.672 0.575 0.699 -0.023 -0.049 -0.073 113 TYR CCC CG  
2789 C CD1 . TYR B 114 ? 0.676 0.598 0.697 -0.048 -0.025 -0.061 113 TYR CCC CD1 
2790 C CD2 . TYR B 114 ? 0.675 0.602 0.753 -0.009 -0.061 -0.106 113 TYR CCC CD2 
2791 C CE1 . TYR B 114 ? 0.678 0.647 0.735 -0.066 -0.006 -0.080 113 TYR CCC CE1 
2792 C CE2 . TYR B 114 ? 0.682 0.666 0.812 -0.024 -0.041 -0.131 113 TYR CCC CE2 
2793 C CZ  . TYR B 114 ? 0.670 0.677 0.785 -0.057 -0.010 -0.118 113 TYR CCC CZ  
2794 O OH  . TYR B 114 ? 0.694 0.766 0.851 -0.084 0.016  -0.149 113 TYR CCC OH  
2795 N N   . LEU B 115 ? 0.696 0.561 0.637 -0.034 -0.051 -0.050 114 LEU CCC N   
2796 C CA  . LEU B 115 ? 0.718 0.586 0.620 -0.044 -0.044 -0.064 114 LEU CCC CA  
2797 C C   . LEU B 115 ? 0.690 0.601 0.647 -0.039 -0.047 -0.087 114 LEU CCC C   
2798 O O   . LEU B 115 ? 0.702 0.624 0.711 -0.033 -0.056 -0.083 114 LEU CCC O   
2799 C CB  . LEU B 115 ? 0.730 0.592 0.588 -0.067 -0.026 -0.056 114 LEU CCC CB  
2800 C CG  . LEU B 115 ? 0.747 0.558 0.551 -0.070 -0.032 -0.037 114 LEU CCC CG  
2801 C CD1 . LEU B 115 ? 0.784 0.589 0.547 -0.097 -0.015 -0.030 114 LEU CCC CD1 
2802 C CD2 . LEU B 115 ? 0.813 0.568 0.556 -0.066 -0.056 -0.037 114 LEU CCC CD2 
2803 N N   . ASN B 116 ? 0.708 0.636 0.647 -0.044 -0.042 -0.115 115 ASN CCC N   
2804 C CA  . ASN B 116 ? 0.677 0.661 0.676 -0.038 -0.045 -0.155 115 ASN CCC CA  
2805 C C   . ASN B 116 ? 0.693 0.718 0.706 -0.054 -0.026 -0.174 115 ASN CCC C   
2806 O O   . ASN B 116 ? 0.694 0.699 0.654 -0.076 -0.008 -0.152 115 ASN CCC O   
2807 C CB  . ASN B 116 ? 0.700 0.703 0.678 -0.041 -0.042 -0.188 115 ASN CCC CB  
2808 C CG  . ASN B 116 ? 0.751 0.750 0.630 -0.081 -0.012 -0.195 115 ASN CCC CG  
2809 O OD1 . ASN B 116 ? 0.778 0.794 0.633 -0.110 0.013  -0.197 115 ASN CCC OD1 
2810 N ND2 . ASN B 116 ? 0.800 0.768 0.611 -0.090 -0.018 -0.197 115 ASN CCC ND2 
2811 N N   . ALA B 117 ? 0.661 0.664 0.832 -0.037 0.031  -0.031 116 ALA CCC N   
2812 C CA  . ALA B 117 ? 0.668 0.680 0.839 -0.036 0.039  -0.022 116 ALA CCC CA  
2813 C C   . ALA B 117 ? 0.681 0.698 0.823 -0.033 0.049  -0.029 116 ALA CCC C   
2814 O O   . ALA B 117 ? 0.667 0.695 0.808 -0.035 0.052  -0.018 116 ALA CCC O   
2815 C CB  . ALA B 117 ? 0.670 0.675 0.871 -0.030 0.037  -0.027 116 ALA CCC CB  
2816 N N   . GLU B 118 ? 0.713 0.714 0.827 -0.029 0.051  -0.045 117 GLU CCC N   
2817 C CA  . GLU B 118 ? 0.761 0.757 0.840 -0.027 0.066  -0.051 117 GLU CCC CA  
2818 C C   . GLU B 118 ? 0.730 0.735 0.790 -0.033 0.061  -0.040 117 GLU CCC C   
2819 O O   . GLU B 118 ? 0.703 0.720 0.761 -0.035 0.072  -0.034 117 GLU CCC O   
2820 C CB  . GLU B 118 ? 0.851 0.811 0.884 -0.023 0.068  -0.069 117 GLU CCC CB  
2821 C CG  . GLU B 118 ? 0.942 0.887 0.986 -0.017 0.081  -0.084 117 GLU CCC CG  
2822 C CD  . GLU B 118 ? 1.027 0.969 1.106 -0.014 0.063  -0.088 117 GLU CCC CD  
2823 O OE1 . GLU B 118 ? 1.016 0.962 1.105 -0.018 0.040  -0.082 117 GLU CCC OE1 
2824 O OE2 . GLU B 118 ? 1.092 1.028 1.194 -0.009 0.074  -0.099 117 GLU CCC OE2 
2825 N N   . GLU B 119 ? 0.705 0.707 0.761 -0.035 0.045  -0.041 118 GLU CCC N   
2826 C CA  . GLU B 119 ? 0.702 0.711 0.748 -0.039 0.041  -0.034 118 GLU CCC CA  
2827 C C   . GLU B 119 ? 0.659 0.690 0.723 -0.044 0.049  -0.020 118 GLU CCC C   
2828 O O   . GLU B 119 ? 0.650 0.687 0.699 -0.046 0.053  -0.015 118 GLU CCC O   
2829 C CB  . GLU B 119 ? 0.715 0.717 0.778 -0.040 0.023  -0.039 118 GLU CCC CB  
2830 C CG  . GLU B 119 ? 0.755 0.725 0.790 -0.035 0.003  -0.054 118 GLU CCC CG  
2831 C CD  . GLU B 119 ? 0.776 0.740 0.850 -0.035 -0.022 -0.061 118 GLU CCC CD  
2832 O OE1 . GLU B 119 ? 0.741 0.724 0.868 -0.039 -0.016 -0.057 118 GLU CCC OE1 
2833 O OE2 . GLU B 119 ? 0.817 0.754 0.873 -0.033 -0.049 -0.070 118 GLU CCC OE2 
2834 N N   . LEU B 120 ? 0.632 0.668 0.722 -0.046 0.050  -0.012 119 LEU CCC N   
2835 C CA  . LEU B 120 ? 0.621 0.662 0.710 -0.052 0.053  0.003  119 LEU CCC CA  
2836 C C   . LEU B 120 ? 0.615 0.661 0.702 -0.050 0.053  0.006  119 LEU CCC C   
2837 O O   . LEU B 120 ? 0.608 0.656 0.682 -0.053 0.051  0.014  119 LEU CCC O   
2838 C CB  . LEU B 120 ? 0.600 0.633 0.706 -0.055 0.052  0.011  119 LEU CCC CB  
2839 C CG  . LEU B 120 ? 0.610 0.632 0.696 -0.063 0.054  0.027  119 LEU CCC CG  
2840 C CD1 . LEU B 120 ? 0.616 0.634 0.683 -0.069 0.067  0.028  119 LEU CCC CD1 
2841 C CD2 . LEU B 120 ? 0.633 0.637 0.728 -0.066 0.050  0.038  119 LEU CCC CD2 
2842 N N   . ALA B 121 ? 0.613 0.660 0.719 -0.044 0.055  -0.001 120 ALA CCC N   
2843 C CA  . ALA B 121 ? 0.624 0.678 0.750 -0.042 0.058  0.001  120 ALA CCC CA  
2844 C C   . ALA B 121 ? 0.619 0.678 0.725 -0.044 0.067  -0.002 120 ALA CCC C   
2845 O O   . ALA B 121 ? 0.637 0.703 0.757 -0.046 0.063  0.005  120 ALA CCC O   
2846 C CB  . ALA B 121 ? 0.623 0.675 0.780 -0.035 0.067  -0.010 120 ALA CCC CB  
2847 N N   . PHE B 122 ? 0.623 0.673 0.697 -0.043 0.075  -0.010 121 PHE CCC N   
2848 C CA  . PHE B 122 ? 0.641 0.688 0.689 -0.046 0.082  -0.011 121 PHE CCC CA  
2849 C C   . PHE B 122 ? 0.620 0.675 0.663 -0.051 0.070  -0.002 121 PHE CCC C   
2850 O O   . PHE B 122 ? 0.612 0.673 0.659 -0.053 0.072  0.002  121 PHE CCC O   
2851 C CB  . PHE B 122 ? 0.665 0.688 0.670 -0.044 0.083  -0.021 121 PHE CCC CB  
2852 C CG  . PHE B 122 ? 0.684 0.694 0.654 -0.047 0.088  -0.019 121 PHE CCC CG  
2853 C CD1 . PHE B 122 ? 0.673 0.687 0.636 -0.050 0.074  -0.014 121 PHE CCC CD1 
2854 C CD2 . PHE B 122 ? 0.709 0.700 0.657 -0.048 0.111  -0.024 121 PHE CCC CD2 
2855 C CE1 . PHE B 122 ? 0.701 0.701 0.635 -0.053 0.077  -0.012 121 PHE CCC CE1 
2856 C CE2 . PHE B 122 ? 0.732 0.705 0.643 -0.053 0.117  -0.020 121 PHE CCC CE2 
2857 C CZ  . PHE B 122 ? 0.716 0.693 0.621 -0.055 0.098  -0.013 121 PHE CCC CZ  
2858 N N   . THR B 123 ? 0.586 0.640 0.624 -0.052 0.062  -0.000 122 THR CCC N   
2859 C CA  . THR B 123 ? 0.569 0.625 0.596 -0.056 0.058  0.005  122 THR CCC CA  
2860 C C   . THR B 123 ? 0.572 0.628 0.602 -0.059 0.052  0.015  122 THR CCC C   
2861 O O   . THR B 123 ? 0.573 0.628 0.590 -0.062 0.048  0.017  122 THR CCC O   
2862 C CB  . THR B 123 ? 0.547 0.600 0.579 -0.058 0.058  0.003  122 THR CCC CB  
2863 O OG1 . THR B 123 ? 0.549 0.597 0.580 -0.054 0.053  -0.007 122 THR CCC OG1 
2864 C CG2 . THR B 123 ? 0.573 0.623 0.594 -0.063 0.063  0.005  122 THR CCC CG2 
2865 N N   . ARG B 124 ? 0.593 0.646 0.638 -0.058 0.046  0.020  123 ARG CCC N   
2866 C CA  . ARG B 124 ? 0.650 0.693 0.697 -0.061 0.029  0.029  123 ARG CCC CA  
2867 C C   . ARG B 124 ? 0.632 0.686 0.703 -0.060 0.025  0.027  123 ARG CCC C   
2868 O O   . ARG B 124 ? 0.647 0.692 0.707 -0.063 0.009  0.032  123 ARG CCC O   
2869 C CB  . ARG B 124 ? 0.663 0.698 0.731 -0.059 0.019  0.035  123 ARG CCC CB  
2870 C CG  . ARG B 124 ? 0.703 0.724 0.781 -0.060 -0.008 0.045  123 ARG CCC CG  
2871 C CD  . ARG B 124 ? 0.759 0.766 0.858 -0.057 -0.023 0.052  123 ARG CCC CD  
2872 N NE  . ARG B 124 ? 0.828 0.809 0.879 -0.063 -0.020 0.061  123 ARG CCC NE  
2873 C CZ  . ARG B 124 ? 0.882 0.826 0.875 -0.071 -0.032 0.074  123 ARG CCC CZ  
2874 N NH1 . ARG B 124 ? 0.880 0.807 0.856 -0.072 -0.056 0.077  123 ARG CCC NH1 
2875 N NH2 . ARG B 124 ? 0.908 0.826 0.859 -0.078 -0.018 0.081  123 ARG CCC NH2 
2876 N N   . GLN B 125 ? 0.651 0.719 0.751 -0.056 0.040  0.020  124 GLN CCC N   
2877 C CA  . GLN B 125 ? 0.698 0.777 0.833 -0.056 0.045  0.017  124 GLN CCC CA  
2878 C C   . GLN B 125 ? 0.678 0.756 0.787 -0.061 0.047  0.018  124 GLN CCC C   
2879 O O   . GLN B 125 ? 0.704 0.784 0.837 -0.064 0.037  0.021  124 GLN CCC O   
2880 C CB  . GLN B 125 ? 0.772 0.855 0.929 -0.053 0.072  0.008  124 GLN CCC CB  
2881 C CG  . GLN B 125 ? 0.847 0.937 1.038 -0.055 0.092  0.005  124 GLN CCC CG  
2882 C CD  . GLN B 125 ? 0.914 1.016 1.182 -0.054 0.079  0.006  124 GLN CCC CD  
2883 O OE1 . GLN B 125 ? 1.013 1.120 1.329 -0.049 0.082  0.002  124 GLN CCC OE1 
2884 N NE2 . GLN B 125 ? 0.937 1.043 1.223 -0.059 0.062  0.012  124 GLN CCC NE2 
2885 N N   . HIS B 126 ? 0.647 0.719 0.715 -0.061 0.056  0.015  125 HIS CCC N   
2886 C CA  . HIS B 126 ? 0.628 0.697 0.676 -0.064 0.060  0.014  125 HIS CCC CA  
2887 C C   . HIS B 126 ? 0.636 0.699 0.659 -0.066 0.047  0.015  125 HIS CCC C   
2888 O O   . HIS B 126 ? 0.627 0.687 0.639 -0.068 0.047  0.014  125 HIS CCC O   
2889 C CB  . HIS B 126 ? 0.615 0.673 0.638 -0.063 0.075  0.008  125 HIS CCC CB  
2890 C CG  . HIS B 126 ? 0.631 0.686 0.667 -0.062 0.096  0.006  125 HIS CCC CG  
2891 N ND1 . HIS B 126 ? 0.655 0.710 0.711 -0.067 0.112  0.008  125 HIS CCC ND1 
2892 C CD2 . HIS B 126 ? 0.651 0.697 0.682 -0.058 0.109  -0.001 125 HIS CCC CD2 
2893 C CE1 . HIS B 126 ? 0.653 0.701 0.718 -0.066 0.138  0.002  125 HIS CCC CE1 
2894 N NE2 . HIS B 126 ? 0.661 0.701 0.707 -0.061 0.136  -0.004 125 HIS CCC NE2 
2895 N N   . TYR B 127 ? 0.635 0.692 0.647 -0.067 0.039  0.017  126 TYR CCC N   
2896 C CA  . TYR B 127 ? 0.649 0.694 0.631 -0.069 0.037  0.016  126 TYR CCC CA  
2897 C C   . TYR B 127 ? 0.626 0.663 0.600 -0.072 0.026  0.016  126 TYR CCC C   
2898 O O   . TYR B 127 ? 0.609 0.642 0.567 -0.073 0.030  0.010  126 TYR CCC O   
2899 C CB  . TYR B 127 ? 0.704 0.733 0.667 -0.071 0.034  0.021  126 TYR CCC CB  
2900 C CG  . TYR B 127 ? 0.767 0.774 0.690 -0.076 0.041  0.018  126 TYR CCC CG  
2901 C CD1 . TYR B 127 ? 0.804 0.816 0.732 -0.076 0.062  0.011  126 TYR CCC CD1 
2902 C CD2 . TYR B 127 ? 0.822 0.801 0.706 -0.080 0.028  0.021  126 TYR CCC CD2 
2903 C CE1 . TYR B 127 ? 0.871 0.862 0.771 -0.080 0.078  0.006  126 TYR CCC CE1 
2904 C CE2 . TYR B 127 ? 0.895 0.847 0.733 -0.084 0.042  0.016  126 TYR CCC CE2 
2905 C CZ  . TYR B 127 ? 0.914 0.874 0.763 -0.084 0.071  0.008  126 TYR CCC CZ  
2906 O OH  . TYR B 127 ? 0.986 0.918 0.797 -0.089 0.093  0.000  126 TYR CCC OH  
2907 N N   . PHE B 128 ? 0.616 0.654 0.611 -0.074 0.010  0.020  127 PHE CCC N   
2908 C CA  . PHE B 128 ? 0.679 0.706 0.672 -0.077 -0.008 0.020  127 PHE CCC CA  
2909 C C   . PHE B 128 ? 0.648 0.689 0.671 -0.078 -0.001 0.018  127 PHE CCC C   
2910 O O   . PHE B 128 ? 0.676 0.708 0.698 -0.081 -0.015 0.016  127 PHE CCC O   
2911 C CB  . PHE B 128 ? 0.725 0.741 0.737 -0.078 -0.036 0.025  127 PHE CCC CB  
2912 C CG  . PHE B 128 ? 0.788 0.778 0.760 -0.078 -0.048 0.031  127 PHE CCC CG  
2913 C CD1 . PHE B 128 ? 0.861 0.812 0.765 -0.082 -0.057 0.030  127 PHE CCC CD1 
2914 C CD2 . PHE B 128 ? 0.811 0.810 0.808 -0.075 -0.045 0.036  127 PHE CCC CD2 
2915 C CE1 . PHE B 128 ? 0.919 0.837 0.775 -0.084 -0.063 0.037  127 PHE CCC CE1 
2916 C CE2 . PHE B 128 ? 0.856 0.827 0.814 -0.076 -0.054 0.043  127 PHE CCC CE2 
2917 C CZ  . PHE B 128 ? 0.898 0.826 0.783 -0.081 -0.063 0.045  127 PHE CCC CZ  
2918 N N   . ASP B 129 ? 0.621 0.677 0.663 -0.077 0.019  0.018  128 ASP CCC N   
2919 C CA  . ASP B 129 ? 0.608 0.669 0.671 -0.080 0.031  0.020  128 ASP CCC CA  
2920 C C   . ASP B 129 ? 0.607 0.658 0.652 -0.082 0.024  0.018  128 ASP CCC C   
2921 O O   . ASP B 129 ? 0.607 0.658 0.680 -0.087 0.018  0.020  128 ASP CCC O   
2922 C CB  . ASP B 129 ? 0.621 0.681 0.670 -0.078 0.055  0.019  128 ASP CCC CB  
2923 C CG  . ASP B 129 ? 0.631 0.698 0.707 -0.076 0.069  0.019  128 ASP CCC CG  
2924 O OD1 . ASP B 129 ? 0.632 0.708 0.743 -0.075 0.057  0.020  128 ASP CCC OD1 
2925 O OD2 . ASP B 129 ? 0.678 0.736 0.734 -0.075 0.089  0.017  128 ASP CCC OD2 
2926 N N   . ARG B 130 ? 0.594 0.638 0.606 -0.080 0.024  0.013  129 ARG CCC N   
2927 C CA  . ARG B 130 ? 0.600 0.633 0.600 -0.080 0.019  0.008  129 ARG CCC CA  
2928 C C   . ARG B 130 ? 0.615 0.638 0.591 -0.078 0.013  -0.001 129 ARG CCC C   
2929 O O   . ARG B 130 ? 0.624 0.640 0.594 -0.077 0.014  -0.008 129 ARG CCC O   
2930 C CB  . ARG B 130 ? 0.607 0.635 0.596 -0.078 0.027  0.009  129 ARG CCC CB  
2931 C CG  . ARG B 130 ? 0.644 0.667 0.635 -0.082 0.039  0.018  129 ARG CCC CG  
2932 C CD  . ARG B 130 ? 0.676 0.676 0.638 -0.082 0.040  0.021  129 ARG CCC CD  
2933 N NE  . ARG B 130 ? 0.691 0.679 0.654 -0.084 0.027  0.021  129 ARG CCC NE  
2934 C CZ  . ARG B 130 ? 0.739 0.703 0.681 -0.082 0.016  0.023  129 ARG CCC CZ  
2935 N NH1 . ARG B 130 ? 0.777 0.721 0.687 -0.080 0.014  0.025  129 ARG CCC NH1 
2936 N NH2 . ARG B 130 ? 0.782 0.735 0.732 -0.083 0.003  0.023  129 ARG CCC NH2 
2937 N N   . LEU B 131 ? 0.750 0.929 0.883 0.099  -0.102 -0.202 130 LEU CCC N   
2938 C CA  . LEU B 131 ? 0.784 0.939 0.853 0.125  -0.121 -0.194 130 LEU CCC CA  
2939 C C   . LEU B 131 ? 0.746 0.957 0.870 0.105  -0.145 -0.222 130 LEU CCC C   
2940 O O   . LEU B 131 ? 0.750 0.920 0.830 0.097  -0.143 -0.206 130 LEU CCC O   
2941 C CB  . LEU B 131 ? 0.867 1.028 0.878 0.205  -0.137 -0.196 130 LEU CCC CB  
2942 C CG  . LEU B 131 ? 0.952 1.056 0.858 0.250  -0.143 -0.181 130 LEU CCC CG  
2943 C CD1 . LEU B 131 ? 0.985 0.973 0.820 0.213  -0.094 -0.143 130 LEU CCC CD1 
2944 C CD2 . LEU B 131 ? 1.057 1.152 0.881 0.349  -0.155 -0.179 130 LEU CCC CD2 
2945 N N   . MET B 132 ? 0.723 1.020 0.943 0.094  -0.159 -0.266 131 MET CCC N   
2946 C CA  . MET B 132 ? 0.722 1.070 0.995 0.074  -0.176 -0.308 131 MET CCC CA  
2947 C C   . MET B 132 ? 0.677 0.965 0.948 0.021  -0.144 -0.287 131 MET CCC C   
2948 O O   . MET B 132 ? 0.687 0.981 0.965 0.009  -0.150 -0.307 131 MET CCC O   
2949 C CB  . MET B 132 ? 0.736 1.193 1.132 0.061  -0.185 -0.373 131 MET CCC CB  
2950 C CG  . MET B 132 ? 0.799 1.355 1.208 0.127  -0.238 -0.411 131 MET CCC CG  
2951 S SD  . MET B 132 ? 0.878 1.598 1.440 0.105  -0.272 -0.518 131 MET CCC SD  
2952 C CE  . MET B 132 ? 0.870 1.525 1.396 0.054  -0.263 -0.527 131 MET CCC CE  
2953 N N   . GLU B 133 ? 0.667 0.898 0.921 -0.003 -0.111 -0.251 132 GLU CCC N   
2954 C CA  . GLU B 133 ? 0.660 0.841 0.904 -0.036 -0.082 -0.231 132 GLU CCC CA  
2955 C C   . GLU B 133 ? 0.657 0.801 0.838 -0.027 -0.091 -0.195 132 GLU CCC C   
2956 O O   . GLU B 133 ? 0.683 0.800 0.854 -0.039 -0.075 -0.179 132 GLU CCC O   
2957 C CB  . GLU B 133 ? 0.671 0.811 0.911 -0.053 -0.049 -0.214 132 GLU CCC CB  
2958 C CG  . GLU B 133 ? 0.683 0.846 0.994 -0.069 -0.020 -0.249 132 GLU CCC CG  
2959 C CD  . GLU B 133 ? 0.727 0.820 1.008 -0.081 0.024  -0.227 132 GLU CCC CD  
2960 O OE1 . GLU B 133 ? 0.780 0.808 1.005 -0.084 0.045  -0.201 132 GLU CCC OE1 
2961 O OE2 . GLU B 133 ? 0.731 0.830 1.031 -0.077 0.038  -0.232 132 GLU CCC OE2 
2962 N N   . TRP B 134 ? 0.648 0.787 0.785 -0.002 -0.108 -0.184 133 TRP CCC N   
2963 C CA  . TRP B 134 ? 0.648 0.753 0.742 -0.003 -0.101 -0.156 133 TRP CCC CA  
2964 C C   . TRP B 134 ? 0.668 0.772 0.761 0.002  -0.101 -0.158 133 TRP CCC C   
2965 O O   . TRP B 134 ? 0.659 0.756 0.755 -0.009 -0.089 -0.139 133 TRP CCC O   
2966 C CB  . TRP B 134 ? 0.668 0.737 0.705 0.019  -0.095 -0.145 133 TRP CCC CB  
2967 C CG  . TRP B 134 ? 0.648 0.691 0.671 0.001  -0.080 -0.134 133 TRP CCC CG  
2968 C CD1 . TRP B 134 ? 0.658 0.690 0.667 0.015  -0.076 -0.137 133 TRP CCC CD1 
2969 C CD2 . TRP B 134 ? 0.634 0.666 0.659 -0.034 -0.067 -0.125 133 TRP CCC CD2 
2970 N NE1 . TRP B 134 ? 0.669 0.664 0.656 -0.012 -0.057 -0.128 133 TRP CCC NE1 
2971 C CE2 . TRP B 134 ? 0.656 0.657 0.655 -0.045 -0.055 -0.125 133 TRP CCC CE2 
2972 C CE3 . TRP B 134 ? 0.624 0.679 0.674 -0.055 -0.066 -0.121 133 TRP CCC CE3 
2973 C CZ2 . TRP B 134 ? 0.668 0.660 0.661 -0.080 -0.048 -0.128 133 TRP CCC CZ2 
2974 C CZ3 . TRP B 134 ? 0.627 0.693 0.686 -0.086 -0.063 -0.126 133 TRP CCC CZ3 
2975 C CH2 . TRP B 134 ? 0.657 0.692 0.685 -0.101 -0.056 -0.133 133 TRP CCC CH2 
2976 N N   . PRO B 135 ? 0.703 0.821 0.790 0.022  -0.117 -0.184 134 PRO CCC N   
2977 C CA  . PRO B 135 ? 0.748 0.849 0.819 0.026  -0.113 -0.188 134 PRO CCC CA  
2978 C C   . PRO B 135 ? 0.764 0.859 0.869 0.000  -0.089 -0.181 134 PRO CCC C   
2979 O O   . PRO B 135 ? 0.781 0.853 0.869 0.005  -0.073 -0.158 134 PRO CCC O   
2980 C CB  . PRO B 135 ? 0.764 0.896 0.833 0.047  -0.142 -0.233 134 PRO CCC CB  
2981 C CG  . PRO B 135 ? 0.766 0.919 0.817 0.078  -0.164 -0.236 134 PRO CCC CG  
2982 C CD  . PRO B 135 ? 0.717 0.870 0.807 0.048  -0.143 -0.215 134 PRO CCC CD  
2983 N N   . ALA B 136 ? 0.762 0.867 0.908 -0.022 -0.079 -0.199 135 ALA CCC N   
2984 C CA  . ALA B 136 ? 0.782 0.849 0.932 -0.035 -0.043 -0.189 135 ALA CCC CA  
2985 C C   . ALA B 136 ? 0.769 0.828 0.897 -0.021 -0.039 -0.144 135 ALA CCC C   
2986 O O   . ALA B 136 ? 0.806 0.843 0.916 -0.006 -0.020 -0.124 135 ALA CCC O   
2987 C CB  . ALA B 136 ? 0.779 0.839 0.967 -0.061 -0.018 -0.216 135 ALA CCC CB  
2988 N N   . LEU B 137 ? 0.743 0.825 0.872 -0.023 -0.056 -0.133 136 LEU CCC N   
2989 C CA  . LEU B 137 ? 0.739 0.835 0.857 -0.014 -0.062 -0.106 136 LEU CCC CA  
2990 C C   . LEU B 137 ? 0.728 0.851 0.857 -0.006 -0.066 -0.097 136 LEU CCC C   
2991 O O   . LEU B 137 ? 0.759 0.905 0.896 0.011  -0.063 -0.081 136 LEU CCC O   
2992 C CB  . LEU B 137 ? 0.718 0.825 0.832 -0.027 -0.077 -0.108 136 LEU CCC CB  
2993 C CG  . LEU B 137 ? 0.726 0.867 0.838 -0.026 -0.092 -0.098 136 LEU CCC CG  
2994 C CD1 . LEU B 137 ? 0.770 0.910 0.858 0.003  -0.091 -0.083 136 LEU CCC CD1 
2995 C CD2 . LEU B 137 ? 0.734 0.870 0.831 -0.046 -0.101 -0.107 136 LEU CCC CD2 
2996 N N   . VAL B 138 ? 0.722 0.838 0.844 -0.011 -0.068 -0.105 137 VAL CCC N   
2997 C CA  . VAL B 138 ? 0.743 0.863 0.869 -0.006 -0.054 -0.097 137 VAL CCC CA  
2998 C C   . VAL B 138 ? 0.772 0.882 0.898 0.013  -0.038 -0.089 137 VAL CCC C   
2999 O O   . VAL B 138 ? 0.758 0.895 0.912 0.021  -0.024 -0.076 137 VAL CCC O   
3000 C CB  . VAL B 138 ? 0.777 0.855 0.862 -0.002 -0.045 -0.104 137 VAL CCC CB  
3001 C CG1 . VAL B 138 ? 0.823 0.876 0.898 0.005  -0.012 -0.095 137 VAL CCC CG1 
3002 C CG2 . VAL B 138 ? 0.781 0.853 0.857 -0.018 -0.047 -0.108 137 VAL CCC CG2 
3003 N N   . ALA B 139 ? 0.805 0.880 0.907 0.018  -0.037 -0.101 138 ALA CCC N   
3004 C CA  . ALA B 139 ? 0.867 0.908 0.953 0.033  -0.013 -0.097 138 ALA CCC CA  
3005 C C   . ALA B 139 ? 0.891 0.949 0.992 0.052  0.001  -0.071 138 ALA CCC C   
3006 O O   . ALA B 139 ? 0.926 0.988 1.031 0.077  0.021  -0.052 138 ALA CCC O   
3007 C CB  . ALA B 139 ? 0.898 0.903 0.966 0.021  -0.010 -0.129 138 ALA CCC CB  
3008 N N   . ASP B 140 ? 0.891 0.956 0.992 0.051  -0.007 -0.068 139 ASP CCC N   
3009 C CA  . ASP B 140 ? 0.943 1.013 1.029 0.087  0.002  -0.042 139 ASP CCC CA  
3010 C C   . ASP B 140 ? 0.920 1.085 1.053 0.105  -0.024 -0.032 139 ASP CCC C   
3011 O O   . ASP B 140 ? 0.962 1.152 1.095 0.151  -0.017 -0.012 139 ASP CCC O   
3012 C CB  . ASP B 140 ? 0.975 1.014 1.030 0.085  0.003  -0.043 139 ASP CCC CB  
3013 C CG  . ASP B 140 ? 1.046 1.001 1.077 0.062  0.042  -0.063 139 ASP CCC CG  
3014 O OD1 . ASP B 140 ? 1.116 1.038 1.148 0.051  0.065  -0.078 139 ASP CCC OD1 
3015 O OD2 . ASP B 140 ? 1.082 1.003 1.096 0.052  0.055  -0.068 139 ASP CCC OD2 
3016 N N   . LEU B 141 ? 0.865 1.078 1.038 0.070  -0.048 -0.049 140 LEU CCC N   
3017 C CA  . LEU B 141 ? 0.851 1.160 1.092 0.066  -0.062 -0.056 140 LEU CCC CA  
3018 C C   . LEU B 141 ? 0.883 1.204 1.159 0.078  -0.032 -0.049 140 LEU CCC C   
3019 O O   . LEU B 141 ? 0.895 1.306 1.234 0.100  -0.036 -0.050 140 LEU CCC O   
3020 C CB  . LEU B 141 ? 0.819 1.137 1.078 0.018  -0.071 -0.080 140 LEU CCC CB  
3021 C CG  . LEU B 141 ? 0.810 1.132 1.045 0.005  -0.100 -0.090 140 LEU CCC CG  
3022 C CD1 . LEU B 141 ? 0.793 1.093 1.029 -0.039 -0.094 -0.109 140 LEU CCC CD1 
3023 C CD2 . LEU B 141 ? 0.826 1.238 1.087 0.027  -0.134 -0.097 140 LEU CCC CD2 
3024 N N   . HIS B 142 ? 0.915 1.154 1.150 0.069  -0.004 -0.047 141 HIS CCC N   
3025 C CA  . HIS B 142 ? 0.970 1.187 1.210 0.084  0.035  -0.037 141 HIS CCC CA  
3026 C C   . HIS B 142 ? 1.032 1.251 1.265 0.133  0.049  -0.015 141 HIS CCC C   
3027 O O   . HIS B 142 ? 1.039 1.305 1.322 0.156  0.072  -0.006 141 HIS CCC O   
3028 C CB  . HIS B 142 ? 0.998 1.115 1.166 0.074  0.052  -0.044 141 HIS CCC CB  
3029 C CG  . HIS B 142 ? 1.011 1.107 1.173 0.053  0.067  -0.054 141 HIS CCC CG  
3030 N ND1 . HIS B 142 ? 1.066 1.132 1.228 0.060  0.114  -0.048 141 HIS CCC ND1 
3031 C CD2 . HIS B 142 ? 1.005 1.086 1.147 0.031  0.053  -0.067 141 HIS CCC CD2 
3032 C CE1 . HIS B 142 ? 1.111 1.133 1.244 0.043  0.134  -0.056 141 HIS CCC CE1 
3033 N NE2 . HIS B 142 ? 1.064 1.095 1.182 0.028  0.095  -0.067 141 HIS CCC NE2 
3034 N N   . ARG B 143 ? 1.084 1.247 1.257 0.150  0.047  -0.007 142 ARG CCC N   
3035 C CA  . ARG B 143 ? 1.170 1.299 1.305 0.204  0.075  0.019  142 ARG CCC CA  
3036 C C   . ARG B 143 ? 1.169 1.409 1.354 0.253  0.050  0.033  142 ARG CCC C   
3037 O O   . ARG B 143 ? 1.187 1.459 1.390 0.305  0.071  0.053  142 ARG CCC O   
3038 C CB  . ARG B 143 ? 1.233 1.258 1.287 0.203  0.093  0.019  142 ARG CCC CB  
3039 C CG  . ARG B 143 ? 1.363 1.311 1.352 0.259  0.144  0.047  142 ARG CCC CG  
3040 C CD  . ARG B 143 ? 1.458 1.272 1.366 0.244  0.190  0.038  142 ARG CCC CD  
3041 N NE  . ARG B 143 ? 1.461 1.275 1.359 0.230  0.172  0.031  142 ARG CCC NE  
3042 C CZ  . ARG B 143 ? 1.445 1.239 1.359 0.169  0.165  -0.005 142 ARG CCC CZ  
3043 N NH1 . ARG B 143 ? 1.453 1.243 1.354 0.165  0.157  -0.005 142 ARG CCC NH1 
3044 N NH2 . ARG B 143 ? 1.416 1.199 1.355 0.119  0.165  -0.042 142 ARG CCC NH2 
3045 N N   . ALA B 144 ? 1.067 1.273 1.302 -0.038 0.041  -0.016 143 ALA CCC N   
3046 C CA  . ALA B 144 ? 1.116 1.318 1.321 -0.045 0.045  -0.013 143 ALA CCC CA  
3047 C C   . ALA B 144 ? 1.137 1.349 1.339 -0.039 0.033  -0.006 143 ALA CCC C   
3048 O O   . ALA B 144 ? 1.168 1.387 1.348 -0.036 0.027  -0.003 143 ALA CCC O   
3049 C CB  . ALA B 144 ? 1.126 1.326 1.337 -0.057 0.060  -0.028 143 ALA CCC CB  
3050 N N   . CYS B 145 ? 1.165 1.373 1.383 -0.036 0.032  -0.007 144 CYS CCC N   
3051 C CA  . CYS B 145 ? 1.185 1.395 1.396 -0.039 0.031  -0.006 144 CYS CCC CA  
3052 C C   . CYS B 145 ? 1.206 1.422 1.413 -0.032 0.025  0.002  144 CYS CCC C   
3053 O O   . CYS B 145 ? 1.179 1.420 1.389 -0.035 0.025  -0.003 144 CYS CCC O   
3054 C CB  . CYS B 145 ? 1.198 1.376 1.406 -0.039 0.034  -0.009 144 CYS CCC CB  
3055 S SG  . CYS B 145 ? 1.228 1.394 1.415 -0.059 0.049  -0.018 144 CYS CCC SG  
3056 N N   . ARG B 146 ? 1.249 1.447 1.452 -0.024 0.019  0.011  145 ARG CCC N   
3057 C CA  . ARG B 146 ? 1.275 1.467 1.467 -0.017 0.017  0.019  145 ARG CCC CA  
3058 C C   . ARG B 146 ? 1.300 1.509 1.486 -0.009 0.014  0.022  145 ARG CCC C   
3059 O O   . ARG B 146 ? 1.319 1.540 1.505 -0.002 0.013  0.021  145 ARG CCC O   
3060 C CB  . ARG B 146 ? 1.286 1.451 1.472 -0.013 0.009  0.025  145 ARG CCC CB  
3061 C CG  . ARG B 146 ? 1.298 1.449 1.466 -0.009 0.008  0.034  145 ARG CCC CG  
3062 C CD  . ARG B 146 ? 1.307 1.447 1.475 -0.008 -0.000 0.035  145 ARG CCC CD  
3063 N NE  . ARG B 146 ? 1.319 1.451 1.499 -0.005 -0.014 0.028  145 ARG CCC NE  
3064 C CZ  . ARG B 146 ? 1.305 1.454 1.513 -0.003 -0.022 0.017  145 ARG CCC CZ  
3065 N NH1 . ARG B 146 ? 1.285 1.454 1.507 -0.013 -0.012 0.010  145 ARG CCC NH1 
3066 N NH2 . ARG B 146 ? 1.310 1.453 1.533 0.009  -0.040 0.009  145 ARG CCC NH2 
3067 N N   . GLU B 147 ? 1.314 1.518 1.490 -0.009 0.013  0.022  146 GLU CCC N   
3068 C CA  . GLU B 147 ? 1.346 1.540 1.490 0.001  0.009  0.026  146 GLU CCC CA  
3069 C C   . GLU B 147 ? 1.392 1.609 1.534 0.006  -0.001 0.018  146 GLU CCC C   
3070 O O   . GLU B 147 ? 1.422 1.620 1.525 0.016  -0.009 0.021  146 GLU CCC O   
3071 C CB  . GLU B 147 ? 1.346 1.508 1.463 -0.009 0.019  0.026  146 GLU CCC CB  
3072 C CG  . GLU B 147 ? 1.337 1.483 1.457 -0.014 0.025  0.028  146 GLU CCC CG  
3073 C CD  . GLU B 147 ? 1.362 1.481 1.459 -0.031 0.042  0.021  146 GLU CCC CD  
3074 O OE1 . GLU B 147 ? 1.384 1.480 1.446 -0.038 0.050  0.018  146 GLU CCC OE1 
3075 O OE2 . GLU B 147 ? 1.345 1.462 1.454 -0.041 0.047  0.016  146 GLU CCC OE2 
3076 N N   . LYS B 148 ? 1.442 1.692 1.617 -0.003 0.001  0.008  147 LYS CCC N   
3077 C CA  . LYS B 148 ? 1.496 1.782 1.681 -0.005 -0.008 -0.006 147 LYS CCC CA  
3078 C C   . LYS B 148 ? 1.554 1.821 1.698 0.000  -0.020 -0.005 147 LYS CCC C   
3079 O O   . LYS B 148 ? 1.589 1.875 1.722 0.017  -0.041 -0.011 147 LYS CCC O   
3080 C CB  . LYS B 148 ? 1.513 1.841 1.724 0.009  -0.018 -0.016 147 LYS CCC CB  
3081 C CG  . LYS B 148 ? 1.516 1.847 1.752 0.000  -0.000 -0.018 147 LYS CCC CG  
3082 C CD  . LYS B 148 ? 1.516 1.903 1.794 -0.002 0.003  -0.042 147 LYS CCC CD  
3083 C CE  . LYS B 148 ? 1.537 1.960 1.831 0.030  -0.018 -0.050 147 LYS CCC CE  
3084 N NZ  . LYS B 148 ? 1.557 1.938 1.823 0.051  -0.019 -0.031 147 LYS CCC NZ  
3085 N N   . ARG B 149 ? 1.543 1.615 1.606 0.087  0.007  0.013  148 ARG CCC N   
3086 C CA  . ARG B 149 ? 1.533 1.589 1.612 0.073  0.009  0.022  148 ARG CCC CA  
3087 C C   . ARG B 149 ? 1.474 1.536 1.543 0.065  0.014  0.039  148 ARG CCC C   
3088 O O   . ARG B 149 ? 1.421 1.494 1.480 0.066  0.015  0.044  148 ARG CCC O   
3089 C CB  . ARG B 149 ? 1.567 1.611 1.658 0.067  0.005  0.014  148 ARG CCC CB  
3090 C CG  . ARG B 149 ? 1.619 1.656 1.734 0.075  -0.003 -0.007 148 ARG CCC CG  
3091 C CD  . ARG B 149 ? 1.635 1.656 1.787 0.067  -0.003 -0.003 148 ARG CCC CD  
3092 N NE  . ARG B 149 ? 1.676 1.690 1.863 0.073  -0.013 -0.027 148 ARG CCC NE  
3093 C CZ  . ARG B 149 ? 1.697 1.710 1.890 0.075  -0.022 -0.044 148 ARG CCC CZ  
3094 N NH1 . ARG B 149 ? 1.689 1.705 1.852 0.068  -0.019 -0.037 148 ARG CCC NH1 
3095 N NH2 . ARG B 149 ? 1.697 1.705 1.931 0.083  -0.034 -0.070 148 ARG CCC NH2 
3096 N N   . ASP B 150 ? 1.465 1.522 1.541 0.060  0.016  0.048  149 ASP CCC N   
3097 C CA  . ASP B 150 ? 1.423 1.489 1.494 0.056  0.017  0.058  149 ASP CCC CA  
3098 C C   . ASP B 150 ? 1.354 1.419 1.422 0.049  0.013  0.057  149 ASP CCC C   
3099 O O   . ASP B 150 ? 1.324 1.382 1.396 0.048  0.014  0.057  149 ASP CCC O   
3100 C CB  . ASP B 150 ? 1.428 1.497 1.505 0.059  0.020  0.067  149 ASP CCC CB  
3101 C CG  . ASP B 150 ? 1.431 1.514 1.505 0.059  0.017  0.071  149 ASP CCC CG  
3102 O OD1 . ASP B 150 ? 1.383 1.472 1.460 0.056  0.013  0.068  149 ASP CCC OD1 
3103 O OD2 . ASP B 150 ? 1.470 1.561 1.545 0.065  0.018  0.076  149 ASP CCC OD2 
3104 N N   . PRO B 151 ? 1.298 1.370 1.365 0.046  0.010  0.057  150 PRO CCC N   
3105 C CA  . PRO B 151 ? 1.272 1.344 1.340 0.040  0.006  0.054  150 PRO CCC CA  
3106 C C   . PRO B 151 ? 1.260 1.337 1.327 0.043  0.003  0.055  150 PRO CCC C   
3107 O O   . PRO B 151 ? 1.256 1.331 1.319 0.041  0.002  0.053  150 PRO CCC O   
3108 C CB  . PRO B 151 ? 1.278 1.361 1.358 0.038  0.003  0.056  150 PRO CCC CB  
3109 C CG  . PRO B 151 ? 1.296 1.383 1.377 0.043  0.009  0.063  150 PRO CCC CG  
3110 C CD  . PRO B 151 ? 1.300 1.382 1.372 0.048  0.012  0.062  150 PRO CCC CD  
3111 N N   . ALA B 152 ? 1.249 1.335 1.317 0.049  0.004  0.059  151 ALA CCC N   
3112 C CA  . ALA B 152 ? 1.255 1.355 1.320 0.059  0.002  0.062  151 ALA CCC CA  
3113 C C   . ALA B 152 ? 1.254 1.350 1.318 0.064  0.012  0.074  151 ALA CCC C   
3114 O O   . ALA B 152 ? 1.239 1.351 1.298 0.076  0.014  0.082  151 ALA CCC O   
3115 C CB  . ALA B 152 ? 1.262 1.376 1.330 0.066  -0.002 0.060  151 ALA CCC CB  
3116 N N   . SER B 153 ? 1.269 1.348 1.341 0.059  0.018  0.076  152 SER CCC N   
3117 C CA  . SER B 153 ? 1.315 1.388 1.405 0.062  0.027  0.088  152 SER CCC CA  
3118 C C   . SER B 153 ? 1.343 1.417 1.435 0.063  0.029  0.094  152 SER CCC C   
3119 O O   . SER B 153 ? 1.328 1.403 1.407 0.058  0.022  0.084  152 SER CCC O   
3120 C CB  . SER B 153 ? 1.319 1.374 1.424 0.057  0.027  0.080  152 SER CCC CB  
3121 O OG  . SER B 153 ? 1.338 1.386 1.474 0.060  0.034  0.090  152 SER CCC OG  
3122 N N   . PRO B 154 ? 1.377 1.453 1.491 0.070  0.039  0.112  153 PRO CCC N   
3123 C CA  . PRO B 154 ? 1.384 1.462 1.508 0.070  0.043  0.120  153 PRO CCC CA  
3124 C C   . PRO B 154 ? 1.378 1.434 1.511 0.057  0.037  0.104  153 PRO CCC C   
3125 O O   . PRO B 154 ? 1.352 1.409 1.478 0.054  0.035  0.102  153 PRO CCC O   
3126 C CB  . PRO B 154 ? 1.395 1.478 1.554 0.081  0.058  0.147  153 PRO CCC CB  
3127 C CG  . PRO B 154 ? 1.400 1.495 1.555 0.090  0.062  0.155  153 PRO CCC CG  
3128 C CD  . PRO B 154 ? 1.392 1.473 1.529 0.078  0.050  0.129  153 PRO CCC CD  
3129 N N   . GLU B 155 ? 1.368 1.408 1.517 0.051  0.033  0.090  154 GLU CCC N   
3130 C CA  . GLU B 155 ? 1.353 1.376 1.511 0.043  0.025  0.071  154 GLU CCC CA  
3131 C C   . GLU B 155 ? 1.307 1.333 1.428 0.038  0.017  0.057  154 GLU CCC C   
3132 O O   . GLU B 155 ? 1.310 1.330 1.429 0.033  0.012  0.047  154 GLU CCC O   
3133 C CB  . GLU B 155 ? 1.390 1.402 1.580 0.044  0.021  0.059  154 GLU CCC CB  
3134 C CG  . GLU B 155 ? 1.437 1.452 1.611 0.048  0.019  0.052  154 GLU CCC CG  
3135 C CD  . GLU B 155 ? 1.469 1.488 1.663 0.053  0.027  0.068  154 GLU CCC CD  
3136 O OE1 . GLU B 155 ? 1.499 1.526 1.697 0.057  0.037  0.091  154 GLU CCC OE1 
3137 O OE2 . GLU B 155 ? 1.456 1.471 1.658 0.057  0.024  0.059  154 GLU CCC OE2 
3138 N N   . GLY B 156 ? 1.241 1.276 1.341 0.040  0.015  0.057  155 GLY CCC N   
3139 C CA  . GLY B 156 ? 1.194 1.236 1.272 0.036  0.010  0.049  155 GLY CCC CA  
3140 C C   . GLY B 156 ? 1.143 1.191 1.212 0.034  0.008  0.052  155 GLY CCC C   
3141 O O   . GLY B 156 ? 1.129 1.176 1.191 0.028  0.003  0.045  155 GLY CCC O   
3142 N N   . GLN B 157 ? 1.102 1.159 1.172 0.040  0.011  0.063  156 GLN CCC N   
3143 C CA  . GLN B 157 ? 1.069 1.139 1.130 0.043  0.008  0.064  156 GLN CCC CA  
3144 C C   . GLN B 157 ? 1.039 1.100 1.107 0.039  0.011  0.066  156 GLN CCC C   
3145 O O   . GLN B 157 ? 1.038 1.104 1.096 0.038  0.006  0.062  156 GLN CCC O   
3146 C CB  . GLN B 157 ? 1.062 1.153 1.118 0.058  0.012  0.075  156 GLN CCC CB  
3147 C CG  . GLN B 157 ? 1.048 1.152 1.097 0.064  0.005  0.068  156 GLN CCC CG  
3148 C CD  . GLN B 157 ? 1.021 1.128 1.069 0.058  -0.008 0.051  156 GLN CCC CD  
3149 O OE1 . GLN B 157 ? 1.039 1.161 1.082 0.065  -0.016 0.043  156 GLN CCC OE1 
3150 N NE2 . GLN B 157 ? 1.005 1.100 1.060 0.047  -0.010 0.045  156 GLN CCC NE2 
3151 N N   . GLN B 158 ? 1.032 1.080 1.121 0.037  0.017  0.071  157 GLN CCC N   
3152 C CA  . GLN B 158 ? 1.051 1.088 1.156 0.033  0.018  0.071  157 GLN CCC CA  
3153 C C   . GLN B 158 ? 0.994 1.021 1.086 0.023  0.009  0.052  157 GLN CCC C   
3154 O O   . GLN B 158 ? 0.967 0.992 1.057 0.020  0.007  0.050  157 GLN CCC O   
3155 C CB  . GLN B 158 ? 1.098 1.124 1.243 0.033  0.024  0.077  157 GLN CCC CB  
3156 C CG  . GLN B 158 ? 1.135 1.171 1.306 0.042  0.037  0.105  157 GLN CCC CG  
3157 C CD  . GLN B 158 ? 1.167 1.192 1.394 0.043  0.043  0.113  157 GLN CCC CD  
3158 O OE1 . GLN B 158 ? 1.165 1.188 1.430 0.044  0.049  0.127  157 GLN CCC OE1 
3159 N NE2 . GLN B 158 ? 1.172 1.190 1.411 0.043  0.040  0.106  157 GLN CCC NE2 
3160 N N   . LEU B 159 ? 0.964 0.989 1.049 0.022  0.005  0.041  158 LEU CCC N   
3161 C CA  . LEU B 159 ? 0.945 0.968 1.017 0.019  -0.001 0.028  158 LEU CCC CA  
3162 C C   . LEU B 159 ? 0.906 0.938 0.962 0.015  -0.004 0.030  158 LEU CCC C   
3163 O O   . LEU B 159 ? 0.893 0.923 0.945 0.011  -0.007 0.025  158 LEU CCC O   
3164 C CB  . LEU B 159 ? 0.956 0.982 1.024 0.024  -0.003 0.021  158 LEU CCC CB  
3165 C CG  . LEU B 159 ? 0.965 0.984 1.052 0.029  -0.005 0.010  158 LEU CCC CG  
3166 C CD1 . LEU B 159 ? 0.981 1.008 1.057 0.038  -0.007 0.001  158 LEU CCC CD1 
3167 C CD2 . LEU B 159 ? 0.978 0.989 1.080 0.028  -0.010 -0.002 158 LEU CCC CD2 
3168 N N   . ALA B 160 ? 0.883 0.925 0.936 0.018  -0.004 0.035  159 ALA CCC N   
3169 C CA  . ALA B 160 ? 0.870 0.922 0.921 0.016  -0.010 0.033  159 ALA CCC CA  
3170 C C   . ALA B 160 ? 0.854 0.907 0.900 0.016  -0.012 0.032  159 ALA CCC C   
3171 O O   . ALA B 160 ? 0.846 0.900 0.893 0.011  -0.017 0.026  159 ALA CCC O   
3172 C CB  . ALA B 160 ? 0.890 0.954 0.943 0.022  -0.012 0.034  159 ALA CCC CB  
3173 N N   A GLN B 161 ? 0.844 0.899 0.891 0.021  -0.007 0.040  160 GLN CCC N   
3174 N N   B GLN B 161 ? 0.849 0.904 0.895 0.022  -0.007 0.040  160 GLN CCC N   
3175 C CA  A GLN B 161 ? 0.831 0.891 0.874 0.025  -0.007 0.043  160 GLN CCC CA  
3176 C CA  B GLN B 161 ? 0.838 0.898 0.882 0.025  -0.006 0.043  160 GLN CCC CA  
3177 C C   A GLN B 161 ? 0.808 0.853 0.856 0.015  -0.006 0.039  160 GLN CCC C   
3178 C C   B GLN B 161 ? 0.812 0.857 0.860 0.015  -0.006 0.039  160 GLN CCC C   
3179 O O   A GLN B 161 ? 0.782 0.829 0.824 0.013  -0.010 0.036  160 GLN CCC O   
3180 O O   B GLN B 161 ? 0.785 0.833 0.827 0.014  -0.010 0.036  160 GLN CCC O   
3181 C CB  A GLN B 161 ? 0.847 0.917 0.896 0.036  0.003  0.061  160 GLN CCC CB  
3182 C CB  B GLN B 161 ? 0.860 0.929 0.910 0.036  0.003  0.061  160 GLN CCC CB  
3183 C CG  A GLN B 161 ? 0.862 0.955 0.902 0.052  0.003  0.065  160 GLN CCC CG  
3184 C CG  B GLN B 161 ? 0.880 0.972 0.922 0.052  0.004  0.067  160 GLN CCC CG  
3185 C CD  A GLN B 161 ? 0.858 0.974 0.883 0.064  -0.005 0.058  160 GLN CCC CD  
3186 C CD  B GLN B 161 ? 0.884 0.984 0.939 0.063  0.018  0.090  160 GLN CCC CD  
3187 O OE1 A GLN B 161 ? 0.839 0.952 0.861 0.059  -0.011 0.050  160 GLN CCC OE1 
3188 O OE1 B GLN B 161 ? 0.885 0.973 0.961 0.059  0.027  0.103  160 GLN CCC OE1 
3189 N NE2 A GLN B 161 ? 0.857 1.000 0.873 0.083  -0.008 0.059  160 GLN CCC NE2 
3190 N NE2 B GLN B 161 ? 0.889 1.011 0.936 0.079  0.019  0.097  160 GLN CCC NE2 
3191 N N   . ARG B 162 ? 0.803 0.834 0.861 0.011  -0.004 0.037  161 ARG CCC N   
3192 C CA  . ARG B 162 ? 0.798 0.818 0.862 0.005  -0.006 0.028  161 ARG CCC CA  
3193 C C   . ARG B 162 ? 0.758 0.779 0.806 0.000  -0.012 0.019  161 ARG CCC C   
3194 O O   . ARG B 162 ? 0.712 0.732 0.758 -0.004 -0.014 0.016  161 ARG CCC O   
3195 C CB  . ARG B 162 ? 0.818 0.828 0.900 0.006  -0.006 0.022  161 ARG CCC CB  
3196 C CG  . ARG B 162 ? 0.840 0.843 0.953 0.008  -0.001 0.031  161 ARG CCC CG  
3197 C CD  . ARG B 162 ? 0.850 0.844 0.991 0.010  -0.004 0.019  161 ARG CCC CD  
3198 N NE  . ARG B 162 ? 0.848 0.839 0.987 0.010  -0.014 -0.003 161 ARG CCC NE  
3199 C CZ  . ARG B 162 ? 0.858 0.849 1.004 0.017  -0.022 -0.022 161 ARG CCC CZ  
3200 N NH1 . ARG B 162 ? 0.877 0.868 1.033 0.022  -0.021 -0.023 161 ARG CCC NH1 
3201 N NH2 . ARG B 162 ? 0.846 0.839 0.986 0.021  -0.031 -0.043 161 ARG CCC NH2 
3202 N N   . TRP B 163 ? 0.741 0.769 0.785 0.002  -0.012 0.019  162 TRP CCC N   
3203 C CA  . TRP B 163 ? 0.748 0.782 0.790 -0.001 -0.015 0.018  162 TRP CCC CA  
3204 C C   . TRP B 163 ? 0.722 0.760 0.766 -0.004 -0.020 0.017  162 TRP CCC C   
3205 O O   . TRP B 163 ? 0.711 0.747 0.755 -0.008 -0.021 0.015  162 TRP CCC O   
3206 C CB  . TRP B 163 ? 0.770 0.812 0.817 0.003  -0.013 0.023  162 TRP CCC CB  
3207 C CG  . TRP B 163 ? 0.783 0.834 0.842 0.000  -0.014 0.027  162 TRP CCC CG  
3208 C CD1 . TRP B 163 ? 0.786 0.842 0.845 0.003  -0.010 0.032  162 TRP CCC CD1 
3209 C CD2 . TRP B 163 ? 0.783 0.839 0.860 -0.003 -0.020 0.026  162 TRP CCC CD2 
3210 N NE1 . TRP B 163 ? 0.791 0.854 0.873 -0.000 -0.011 0.040  162 TRP CCC NE1 
3211 C CE2 . TRP B 163 ? 0.790 0.852 0.887 -0.005 -0.019 0.033  162 TRP CCC CE2 
3212 C CE3 . TRP B 163 ? 0.786 0.846 0.868 -0.002 -0.028 0.019  162 TRP CCC CE3 
3213 C CZ2 . TRP B 163 ? 0.785 0.852 0.915 -0.008 -0.026 0.032  162 TRP CCC CZ2 
3214 C CZ3 . TRP B 163 ? 0.796 0.864 0.904 -0.003 -0.037 0.013  162 TRP CCC CZ3 
3215 C CH2 . TRP B 163 ? 0.790 0.860 0.926 -0.007 -0.036 0.019  162 TRP CCC CH2 
3216 N N   . LEU B 164 ? 0.713 0.758 0.758 -0.000 -0.022 0.017  163 LEU CCC N   
3217 C CA  . LEU B 164 ? 0.720 0.774 0.768 0.001  -0.030 0.011  163 LEU CCC CA  
3218 C C   . LEU B 164 ? 0.695 0.744 0.735 -0.001 -0.030 0.010  163 LEU CCC C   
3219 O O   . LEU B 164 ? 0.691 0.742 0.737 -0.004 -0.036 0.004  163 LEU CCC O   
3220 C CB  . LEU B 164 ? 0.761 0.831 0.807 0.013  -0.034 0.010  163 LEU CCC CB  
3221 C CG  . LEU B 164 ? 0.785 0.871 0.834 0.021  -0.046 -0.002 163 LEU CCC CG  
3222 C CD1 . LEU B 164 ? 0.803 0.891 0.880 0.015  -0.056 -0.014 163 LEU CCC CD1 
3223 C CD2 . LEU B 164 ? 0.789 0.897 0.828 0.039  -0.048 -0.003 163 LEU CCC CD2 
3224 N N   . ALA B 165 ? 0.687 0.730 0.722 0.000  -0.023 0.017  164 ALA CCC N   
3225 C CA  . ALA B 165 ? 0.679 0.718 0.712 -0.002 -0.021 0.019  164 ALA CCC CA  
3226 C C   . ALA B 165 ? 0.662 0.691 0.695 -0.011 -0.024 0.012  164 ALA CCC C   
3227 O O   . ALA B 165 ? 0.658 0.687 0.688 -0.013 -0.027 0.009  164 ALA CCC O   
3228 C CB  . ALA B 165 ? 0.681 0.716 0.722 0.002  -0.013 0.029  164 ALA CCC CB  
3229 N N   . LEU B 166 ? 0.667 0.690 0.702 -0.013 -0.022 0.010  165 LEU CCC N   
3230 C CA  . LEU B 166 ? 0.676 0.696 0.708 -0.016 -0.023 0.005  165 LEU CCC CA  
3231 C C   . LEU B 166 ? 0.656 0.683 0.692 -0.018 -0.025 0.007  165 LEU CCC C   
3232 O O   . LEU B 166 ? 0.635 0.661 0.671 -0.022 -0.027 0.005  165 LEU CCC O   
3233 C CB  . LEU B 166 ? 0.696 0.716 0.728 -0.011 -0.021 0.001  165 LEU CCC CB  
3234 C CG  . LEU B 166 ? 0.708 0.719 0.748 -0.008 -0.022 -0.006 165 LEU CCC CG  
3235 C CD1 . LEU B 166 ? 0.733 0.748 0.771 0.001  -0.024 -0.017 165 LEU CCC CD1 
3236 C CD2 . LEU B 166 ? 0.709 0.713 0.755 -0.012 -0.024 -0.010 165 LEU CCC CD2 
3237 N N   . PHE B 167 ? 0.701 0.500 0.667 -0.076 0.029  -0.008 166 PHE CCC N   
3238 C CA  . PHE B 167 ? 0.700 0.527 0.633 -0.071 0.024  -0.008 166 PHE CCC CA  
3239 C C   . PHE B 167 ? 0.701 0.541 0.593 -0.075 0.017  0.013  166 PHE CCC C   
3240 O O   . PHE B 167 ? 0.686 0.546 0.558 -0.079 0.020  0.004  166 PHE CCC O   
3241 C CB  . PHE B 167 ? 0.712 0.539 0.675 -0.055 0.015  -0.003 166 PHE CCC CB  
3242 C CG  . PHE B 167 ? 0.718 0.571 0.650 -0.051 0.008  -0.000 166 PHE CCC CG  
3243 C CD1 . PHE B 167 ? 0.708 0.581 0.631 -0.055 0.016  -0.023 166 PHE CCC CD1 
3244 C CD2 . PHE B 167 ? 0.742 0.604 0.654 -0.049 -0.007 0.025  166 PHE CCC CD2 
3245 C CE1 . PHE B 167 ? 0.705 0.597 0.611 -0.052 0.010  -0.019 166 PHE CCC CE1 
3246 C CE2 . PHE B 167 ? 0.741 0.626 0.632 -0.048 -0.011 0.019  166 PHE CCC CE2 
3247 C CZ  . PHE B 167 ? 0.723 0.619 0.616 -0.048 -0.002 -0.002 166 PHE CCC CZ  
3248 N N   . GLN B 168 ? 0.737 0.571 0.624 -0.076 0.009  0.041  167 GLN CCC N   
3249 C CA  . GLN B 168 ? 0.767 0.621 0.615 -0.085 0.009  0.052  167 GLN CCC CA  
3250 C C   . GLN B 168 ? 0.751 0.608 0.591 -0.096 0.023  0.042  167 GLN CCC C   
3251 O O   . GLN B 168 ? 0.762 0.641 0.587 -0.101 0.030  0.036  167 GLN CCC O   
3252 C CB  . GLN B 168 ? 0.817 0.673 0.654 -0.093 -0.003 0.088  167 GLN CCC CB  
3253 C CG  . GLN B 168 ? 0.857 0.726 0.698 -0.087 -0.021 0.103  167 GLN CCC CG  
3254 C CD  . GLN B 168 ? 0.921 0.803 0.749 -0.102 -0.040 0.149  167 GLN CCC CD  
3255 O OE1 . GLN B 168 ? 0.949 0.819 0.783 -0.114 -0.040 0.175  167 GLN CCC OE1 
3256 N NE2 . GLN B 168 ? 0.940 0.851 0.749 -0.107 -0.057 0.164  167 GLN CCC NE2 
3257 N N   . SER B 169 ? 0.762 0.602 0.623 -0.101 0.027  0.037  168 SER CCC N   
3258 C CA  . SER B 169 ? 0.778 0.626 0.638 -0.113 0.036  0.031  168 SER CCC CA  
3259 C C   . SER B 169 ? 0.763 0.636 0.625 -0.112 0.036  0.016  168 SER CCC C   
3260 O O   . SER B 169 ? 0.793 0.683 0.664 -0.119 0.042  0.018  168 SER CCC O   
3261 C CB  . SER B 169 ? 0.779 0.608 0.662 -0.123 0.039  0.025  168 SER CCC CB  
3262 O OG  . SER B 169 ? 0.783 0.616 0.675 -0.125 0.040  -0.000 168 SER CCC OG  
3263 N N   . TYR B 170 ? 0.715 0.594 0.578 -0.104 0.031  0.007  169 TYR CCC N   
3264 C CA  . TYR B 170 ? 0.697 0.602 0.569 -0.106 0.027  0.004  169 TYR CCC CA  
3265 C C   . TYR B 170 ? 0.698 0.609 0.571 -0.094 0.026  0.003  169 TYR CCC C   
3266 O O   . TYR B 170 ? 0.672 0.599 0.568 -0.094 0.026  0.005  169 TYR CCC O   
3267 C CB  . TYR B 170 ? 0.717 0.634 0.588 -0.117 0.022  -0.004 169 TYR CCC CB  
3268 C CG  . TYR B 170 ? 0.697 0.610 0.561 -0.112 0.024  -0.017 169 TYR CCC CG  
3269 C CD1 . TYR B 170 ? 0.695 0.619 0.561 -0.103 0.020  -0.015 169 TYR CCC CD1 
3270 C CD2 . TYR B 170 ? 0.719 0.620 0.587 -0.118 0.032  -0.038 169 TYR CCC CD2 
3271 C CE1 . TYR B 170 ? 0.700 0.626 0.567 -0.100 0.023  -0.028 169 TYR CCC CE1 
3272 C CE2 . TYR B 170 ? 0.724 0.625 0.601 -0.113 0.038  -0.056 169 TYR CCC CE2 
3273 C CZ  . TYR B 170 ? 0.725 0.641 0.599 -0.104 0.033  -0.050 169 TYR CCC CZ  
3274 O OH  . TYR B 170 ? 0.731 0.652 0.620 -0.101 0.041  -0.069 169 TYR CCC OH  
3275 N N   . ALA B 171 ? 0.706 0.606 0.564 -0.085 0.024  0.002  170 ALA CCC N   
3276 C CA  . ALA B 171 ? 0.687 0.596 0.544 -0.078 0.021  -0.003 170 ALA CCC CA  
3277 C C   . ALA B 171 ? 0.716 0.634 0.561 -0.083 0.029  -0.006 170 ALA CCC C   
3278 O O   . ALA B 171 ? 0.718 0.651 0.574 -0.083 0.033  -0.020 170 ALA CCC O   
3279 C CB  . ALA B 171 ? 0.715 0.617 0.567 -0.069 0.013  -0.001 170 ALA CCC CB  
3280 N N   . GLY B 172 ? 0.721 0.635 0.548 -0.091 0.033  0.005  171 GLY CCC N   
3281 C CA  . GLY B 172 ? 0.734 0.667 0.535 -0.105 0.041  0.002  171 GLY CCC CA  
3282 C C   . GLY B 172 ? 0.760 0.698 0.531 -0.109 0.025  0.020  171 GLY CCC C   
3283 O O   . GLY B 172 ? 0.756 0.677 0.541 -0.096 0.010  0.034  171 GLY CCC O   
3284 N N   . LYS B 173 ? 0.815 0.782 0.550 -0.130 0.029  0.022  172 LYS CCC N   
3285 C CA  . LYS B 173 ? 0.881 0.863 0.584 -0.143 0.008  0.055  172 LYS CCC CA  
3286 C C   . LYS B 173 ? 0.869 0.887 0.547 -0.155 0.004  0.037  172 LYS CCC C   
3287 O O   . LYS B 173 ? 0.912 0.958 0.557 -0.174 -0.016 0.066  172 LYS CCC O   
3288 C CB  . LYS B 173 ? 0.942 0.938 0.614 -0.168 0.012  0.082  172 LYS CCC CB  
3289 C CG  . LYS B 173 ? 0.954 0.912 0.658 -0.158 0.014  0.102  172 LYS CCC CG  
3290 C CD  . LYS B 173 ? 1.003 0.966 0.690 -0.181 0.006  0.147  172 LYS CCC CD  
3291 C CE  . LYS B 173 ? 1.002 0.918 0.741 -0.165 -0.002 0.169  172 LYS CCC CE  
3292 N NZ  . LYS B 173 ? 1.038 0.953 0.773 -0.188 0.001  0.204  172 LYS CCC NZ  
3293 N N   . ASP B 174 ? 0.847 0.868 0.546 -0.147 0.018  -0.005 173 ASP CCC N   
3294 C CA  . ASP B 174 ? 0.869 0.921 0.553 -0.159 0.014  -0.028 173 ASP CCC CA  
3295 C C   . ASP B 174 ? 0.829 0.868 0.534 -0.140 -0.013 -0.007 173 ASP CCC C   
3296 O O   . ASP B 174 ? 0.780 0.787 0.527 -0.114 -0.013 -0.009 173 ASP CCC O   
3297 C CB  . ASP B 174 ? 0.865 0.922 0.582 -0.159 0.042  -0.082 173 ASP CCC CB  
3298 C CG  . ASP B 174 ? 0.904 0.991 0.613 -0.175 0.043  -0.116 173 ASP CCC CG  
3299 O OD1 . ASP B 174 ? 0.907 0.981 0.643 -0.159 0.027  -0.113 173 ASP CCC OD1 
3300 O OD2 . ASP B 174 ? 0.980 1.108 0.657 -0.207 0.061  -0.148 173 ASP CCC OD2 
3301 N N   . ALA B 175 ? 0.875 0.945 0.553 -0.155 -0.037 0.013  174 ALA CCC N   
3302 C CA  . ALA B 175 ? 0.893 0.959 0.600 -0.139 -0.066 0.038  174 ALA CCC CA  
3303 C C   . ALA B 175 ? 0.864 0.918 0.608 -0.122 -0.057 0.003  174 ALA CCC C   
3304 O O   . ALA B 175 ? 0.846 0.878 0.632 -0.098 -0.065 0.015  174 ALA CCC O   
3305 C CB  . ALA B 175 ? 0.912 1.027 0.585 -0.166 -0.095 0.067  174 ALA CCC CB  
3306 N N   . GLN B 176 ? 0.861 0.931 0.598 -0.135 -0.038 -0.040 175 GLN CCC N   
3307 C CA  . GLN B 176 ? 0.858 0.919 0.638 -0.123 -0.031 -0.069 175 GLN CCC CA  
3308 C C   . GLN B 176 ? 0.820 0.842 0.641 -0.099 -0.018 -0.068 175 GLN CCC C   
3309 O O   . GLN B 176 ? 0.788 0.799 0.642 -0.084 -0.024 -0.062 175 GLN CCC O   
3310 C CB  . GLN B 176 ? 0.907 0.995 0.682 -0.147 -0.013 -0.118 175 GLN CCC CB  
3311 C CG  . GLN B 176 ? 0.973 1.109 0.710 -0.176 -0.032 -0.123 175 GLN CCC CG  
3312 C CD  . GLN B 176 ? 1.041 1.203 0.784 -0.201 -0.011 -0.183 175 GLN CCC CD  
3313 O OE1 . GLN B 176 ? 1.121 1.270 0.892 -0.203 0.022  -0.223 175 GLN CCC OE1 
3314 N NE2 . GLN B 176 ? 1.082 1.283 0.807 -0.223 -0.029 -0.192 175 GLN CCC NE2 
3315 N N   . THR B 177 ? 0.797 0.805 0.615 -0.099 -0.001 -0.069 176 THR CCC N   
3316 C CA  . THR B 177 ? 0.751 0.731 0.603 -0.083 0.006  -0.062 176 THR CCC CA  
3317 C C   . THR B 177 ? 0.742 0.708 0.594 -0.069 -0.008 -0.035 176 THR CCC C   
3318 O O   . THR B 177 ? 0.745 0.703 0.623 -0.061 -0.007 -0.034 176 THR CCC O   
3319 C CB  . THR B 177 ? 0.757 0.732 0.607 -0.088 0.023  -0.066 176 THR CCC CB  
3320 O OG1 . THR B 177 ? 0.760 0.752 0.625 -0.101 0.042  -0.100 176 THR CCC OG1 
3321 C CG2 . THR B 177 ? 0.728 0.684 0.611 -0.077 0.025  -0.054 176 THR CCC CG2 
3322 N N   . GLN B 178 ? 0.756 0.722 0.586 -0.070 -0.019 -0.015 177 GLN CCC N   
3323 C CA  . GLN B 178 ? 0.774 0.724 0.626 -0.057 -0.028 0.004  177 GLN CCC CA  
3324 C C   . GLN B 178 ? 0.743 0.702 0.624 -0.048 -0.035 -0.003 177 GLN CCC C   
3325 O O   . GLN B 178 ? 0.723 0.673 0.630 -0.039 -0.028 -0.007 177 GLN CCC O   
3326 C CB  . GLN B 178 ? 0.817 0.765 0.660 -0.060 -0.043 0.034  177 GLN CCC CB  
3327 C CG  . GLN B 178 ? 0.861 0.804 0.675 -0.073 -0.034 0.041  177 GLN CCC CG  
3328 C CD  . GLN B 178 ? 0.905 0.848 0.715 -0.081 -0.050 0.080  177 GLN CCC CD  
3329 O OE1 . GLN B 178 ? 0.910 0.862 0.686 -0.098 -0.045 0.090  177 GLN CCC OE1 
3330 N NE2 . GLN B 178 ? 0.937 0.870 0.790 -0.068 -0.068 0.104  177 GLN CCC NE2 
3331 N N   . GLN B 179 ? 0.757 0.739 0.633 -0.054 -0.045 -0.007 178 GLN CCC N   
3332 C CA  . GLN B 179 ? 0.729 0.724 0.638 -0.048 -0.052 -0.013 178 GLN CCC CA  
3333 C C   . GLN B 179 ? 0.692 0.681 0.617 -0.047 -0.035 -0.031 178 GLN CCC C   
3334 O O   . GLN B 179 ? 0.676 0.672 0.630 -0.041 -0.034 -0.033 178 GLN CCC O   
3335 C CB  . GLN B 179 ? 0.767 0.792 0.664 -0.060 -0.068 -0.015 178 GLN CCC CB  
3336 C CG  . GLN B 179 ? 0.835 0.877 0.721 -0.066 -0.093 0.016  178 GLN CCC CG  
3337 C CD  . GLN B 179 ? 0.878 0.920 0.821 -0.048 -0.108 0.039  178 GLN CCC CD  
3338 O OE1 . GLN B 179 ? 0.842 0.862 0.823 -0.032 -0.093 0.031  178 GLN CCC OE1 
3339 N NE2 . GLN B 179 ? 0.972 1.045 0.927 -0.055 -0.138 0.067  178 GLN CCC NE2 
3340 N N   . LYS B 180 ? 0.651 0.633 0.567 -0.054 -0.024 -0.040 179 LYS CCC N   
3341 C CA  . LYS B 180 ? 0.631 0.611 0.572 -0.056 -0.014 -0.042 179 LYS CCC CA  
3342 C C   . LYS B 180 ? 0.619 0.594 0.558 -0.054 -0.009 -0.033 179 LYS CCC C   
3343 O O   . LYS B 180 ? 0.619 0.607 0.573 -0.060 -0.006 -0.030 179 LYS CCC O   
3344 C CB  . LYS B 180 ? 0.642 0.616 0.595 -0.062 -0.006 -0.049 179 LYS CCC CB  
3345 C CG  . LYS B 180 ? 0.655 0.637 0.617 -0.070 -0.003 -0.074 179 LYS CCC CG  
3346 C CD  . LYS B 180 ? 0.655 0.631 0.662 -0.074 0.011  -0.086 179 LYS CCC CD  
3347 C CE  . LYS B 180 ? 0.680 0.666 0.696 -0.086 0.023  -0.125 179 LYS CCC CE  
3348 N NZ  . LYS B 180 ? 0.690 0.668 0.779 -0.088 0.040  -0.142 179 LYS CCC NZ  
3349 N N   . PHE B 181 ? 0.633 0.595 0.552 -0.052 -0.007 -0.029 180 PHE CCC N   
3350 C CA  . PHE B 181 ? 0.612 0.573 0.530 -0.055 0.002  -0.029 180 PHE CCC CA  
3351 C C   . PHE B 181 ? 0.628 0.596 0.567 -0.050 0.005  -0.039 180 PHE CCC C   
3352 O O   . PHE B 181 ? 0.637 0.622 0.581 -0.060 0.016  -0.050 180 PHE CCC O   
3353 C CB  . PHE B 181 ? 0.641 0.582 0.543 -0.054 0.004  -0.026 180 PHE CCC CB  
3354 C CG  . PHE B 181 ? 0.616 0.556 0.508 -0.063 0.006  -0.020 180 PHE CCC CG  
3355 C CD1 . PHE B 181 ? 0.604 0.554 0.495 -0.076 0.010  -0.018 180 PHE CCC CD1 
3356 C CD2 . PHE B 181 ? 0.594 0.530 0.483 -0.062 0.005  -0.018 180 PHE CCC CD2 
3357 C CE1 . PHE B 181 ? 0.608 0.562 0.503 -0.084 0.008  -0.006 180 PHE CCC CE1 
3358 C CE2 . PHE B 181 ? 0.589 0.527 0.487 -0.068 0.010  -0.014 180 PHE CCC CE2 
3359 C CZ  . PHE B 181 ? 0.595 0.540 0.500 -0.077 0.009  -0.005 180 PHE CCC CZ  
3360 N N   . ARG B 182 ? 0.639 0.605 0.595 -0.037 -0.005 -0.036 181 ARG CCC N   
3361 C CA  . ARG B 182 ? 0.651 0.627 0.649 -0.029 -0.004 -0.044 181 ARG CCC CA  
3362 C C   . ARG B 182 ? 0.635 0.637 0.642 -0.037 0.003  -0.054 181 ARG CCC C   
3363 O O   . ARG B 182 ? 0.653 0.671 0.681 -0.042 0.020  -0.072 181 ARG CCC O   
3364 C CB  . ARG B 182 ? 0.660 0.637 0.679 -0.018 -0.025 -0.026 181 ARG CCC CB  
3365 C CG  . ARG B 182 ? 0.648 0.634 0.734 -0.006 -0.025 -0.030 181 ARG CCC CG  
3366 C CD  . ARG B 182 ? 0.653 0.657 0.765 0.001  -0.053 -0.007 181 ARG CCC CD  
3367 N NE  . ARG B 182 ? 0.642 0.669 0.726 -0.009 -0.061 -0.010 181 ARG CCC NE  
3368 C CZ  . ARG B 182 ? 0.629 0.675 0.735 -0.011 -0.052 -0.027 181 ARG CCC CZ  
3369 N NH1 . ARG B 182 ? 0.611 0.664 0.761 -0.006 -0.031 -0.045 181 ARG CCC NH1 
3370 N NH2 . ARG B 182 ? 0.628 0.691 0.715 -0.022 -0.060 -0.030 181 ARG CCC NH2 
3371 N N   . TYR B 183 ? 0.634 0.643 0.631 -0.041 -0.007 -0.046 182 TYR CCC N   
3372 C CA  . TYR B 183 ? 0.617 0.649 0.630 -0.050 -0.004 -0.049 182 TYR CCC CA  
3373 C C   . TYR B 183 ? 0.617 0.662 0.618 -0.067 0.011  -0.048 182 TYR CCC C   
3374 O O   . TYR B 183 ? 0.645 0.716 0.661 -0.078 0.023  -0.056 182 TYR CCC O   
3375 C CB  . TYR B 183 ? 0.616 0.646 0.628 -0.053 -0.016 -0.045 182 TYR CCC CB  
3376 C CG  . TYR B 183 ? 0.582 0.631 0.622 -0.063 -0.014 -0.045 182 TYR CCC CG  
3377 C CD1 . TYR B 183 ? 0.586 0.658 0.655 -0.062 -0.014 -0.051 182 TYR CCC CD1 
3378 C CD2 . TYR B 183 ? 0.590 0.636 0.642 -0.075 -0.014 -0.036 182 TYR CCC CD2 
3379 C CE1 . TYR B 183 ? 0.594 0.686 0.691 -0.073 -0.012 -0.049 182 TYR CCC CE1 
3380 C CE2 . TYR B 183 ? 0.578 0.639 0.664 -0.086 -0.014 -0.030 182 TYR CCC CE2 
3381 C CZ  . TYR B 183 ? 0.579 0.664 0.683 -0.086 -0.012 -0.037 182 TYR CCC CZ  
3382 O OH  . TYR B 183 ? 0.622 0.724 0.761 -0.100 -0.012 -0.030 182 TYR CCC OH  
3383 N N   . ALA B 184 ? 0.608 0.640 0.584 -0.074 0.010  -0.038 183 ALA CCC N   
3384 C CA  . ALA B 184 ? 0.626 0.679 0.585 -0.097 0.017  -0.028 183 ALA CCC CA  
3385 C C   . ALA B 184 ? 0.667 0.740 0.617 -0.108 0.036  -0.052 183 ALA CCC C   
3386 O O   . ALA B 184 ? 0.678 0.789 0.621 -0.133 0.046  -0.052 183 ALA CCC O   
3387 C CB  . ALA B 184 ? 0.618 0.655 0.561 -0.100 0.010  -0.013 183 ALA CCC CB  
3388 N N   . MET B 185 ? 0.701 0.754 0.658 -0.093 0.043  -0.072 184 MET CCC N   
3389 C CA  . MET B 185 ? 0.757 0.824 0.725 -0.103 0.067  -0.107 184 MET CCC CA  
3390 C C   . MET B 185 ? 0.713 0.810 0.718 -0.104 0.081  -0.125 184 MET CCC C   
3391 O O   . MET B 185 ? 0.719 0.854 0.719 -0.130 0.106  -0.151 184 MET CCC O   
3392 C CB  . MET B 185 ? 0.822 0.855 0.818 -0.082 0.069  -0.120 184 MET CCC CB  
3393 C CG  . MET B 185 ? 0.933 0.976 0.958 -0.092 0.098  -0.164 184 MET CCC CG  
3394 S SD  . MET B 185 ? 1.064 1.130 1.033 -0.132 0.114  -0.184 184 MET CCC SD  
3395 C CE  . MET B 185 ? 1.054 1.074 1.002 -0.116 0.088  -0.149 184 MET CCC CE  
3396 N N   . GLU B 186 ? 0.668 0.733 0.747 0.014  0.031  -0.027 185 GLU CCC N   
3397 C CA  . GLU B 186 ? 0.666 0.752 0.765 0.021  0.033  -0.035 185 GLU CCC CA  
3398 C C   . GLU B 186 ? 0.638 0.749 0.748 0.015  0.048  -0.030 185 GLU CCC C   
3399 O O   . GLU B 186 ? 0.642 0.776 0.761 0.019  0.055  -0.038 185 GLU CCC O   
3400 C CB  . GLU B 186 ? 0.688 0.767 0.795 0.018  0.024  -0.035 185 GLU CCC CB  
3401 C CG  . GLU B 186 ? 0.710 0.814 0.844 0.025  0.019  -0.043 185 GLU CCC CG  
3402 C CD  . GLU B 186 ? 0.731 0.822 0.865 0.016  0.009  -0.040 185 GLU CCC CD  
3403 O OE1 . GLU B 186 ? 0.734 0.819 0.862 0.003  0.018  -0.031 185 GLU CCC OE1 
3404 O OE2 . GLU B 186 ? 0.767 0.847 0.903 0.024  -0.011 -0.045 185 GLU CCC OE2 
3405 N N   . GLN B 187 ? 0.630 0.734 0.735 0.006  0.054  -0.018 186 GLN CCC N   
3406 C CA  . GLN B 187 ? 0.625 0.739 0.731 -0.003 0.064  -0.011 186 GLN CCC CA  
3407 C C   . GLN B 187 ? 0.653 0.767 0.744 -0.004 0.066  -0.006 186 GLN CCC C   
3408 O O   . GLN B 187 ? 0.651 0.771 0.734 -0.013 0.074  -0.002 186 GLN CCC O   
3409 C CB  . GLN B 187 ? 0.610 0.705 0.713 -0.009 0.065  -0.002 186 GLN CCC CB  
3410 C CG  . GLN B 187 ? 0.605 0.694 0.714 -0.013 0.062  -0.005 186 GLN CCC CG  
3411 C CD  . GLN B 187 ? 0.598 0.713 0.721 -0.019 0.064  -0.010 186 GLN CCC CD  
3412 O OE1 . GLN B 187 ? 0.650 0.778 0.772 -0.029 0.072  -0.007 186 GLN CCC OE1 
3413 N NE2 . GLN B 187 ? 0.599 0.723 0.736 -0.013 0.055  -0.019 186 GLN CCC NE2 
3414 N N   . GLU B 188 ? 0.665 0.769 0.747 0.001  0.059  -0.006 187 GLU CCC N   
3415 C CA  . GLU B 188 ? 0.703 0.802 0.769 -0.002 0.057  0.002  187 GLU CCC CA  
3416 C C   . GLU B 188 ? 0.723 0.819 0.774 0.001  0.052  -0.007 187 GLU CCC C   
3417 O O   . GLU B 188 ? 0.709 0.796 0.756 0.002  0.043  -0.005 187 GLU CCC O   
3418 C CB  . GLU B 188 ? 0.739 0.831 0.812 -0.001 0.050  0.012  187 GLU CCC CB  
3419 C CG  . GLU B 188 ? 0.781 0.866 0.864 -0.001 0.053  0.018  187 GLU CCC CG  
3420 C CD  . GLU B 188 ? 0.827 0.903 0.897 -0.007 0.052  0.028  187 GLU CCC CD  
3421 O OE1 . GLU B 188 ? 0.871 0.949 0.922 -0.014 0.052  0.030  187 GLU CCC OE1 
3422 O OE2 . GLU B 188 ? 0.845 0.907 0.917 -0.007 0.052  0.034  187 GLU CCC OE2 
3423 N N   . PRO B 189 ? 0.744 0.848 0.786 0.002  0.059  -0.016 188 PRO CCC N   
3424 C CA  . PRO B 189 ? 0.750 0.844 0.772 0.007  0.056  -0.026 188 PRO CCC CA  
3425 C C   . PRO B 189 ? 0.747 0.825 0.744 -0.002 0.046  -0.016 188 PRO CCC C   
3426 O O   . PRO B 189 ? 0.740 0.802 0.721 -0.001 0.037  -0.021 188 PRO CCC O   
3427 C CB  . PRO B 189 ? 0.782 0.891 0.798 0.007  0.071  -0.039 188 PRO CCC CB  
3428 C CG  . PRO B 189 ? 0.773 0.907 0.817 0.004  0.081  -0.038 188 PRO CCC CG  
3429 C CD  . PRO B 189 ? 0.737 0.860 0.785 -0.003 0.073  -0.020 188 PRO CCC CD  
3430 N N   . HIS B 190 ? 0.754 0.834 0.749 -0.011 0.044  -0.002 189 HIS CCC N   
3431 C CA  . HIS B 190 ? 0.795 0.865 0.772 -0.020 0.030  0.010  189 HIS CCC CA  
3432 C C   . HIS B 190 ? 0.759 0.830 0.750 -0.019 0.018  0.012  189 HIS CCC C   
3433 O O   . HIS B 190 ? 0.763 0.828 0.740 -0.027 0.005  0.018  189 HIS CCC O   
3434 C CB  . HIS B 190 ? 0.834 0.903 0.812 -0.026 0.026  0.026  189 HIS CCC CB  
3435 C CG  . HIS B 190 ? 0.910 0.971 0.857 -0.037 0.035  0.026  189 HIS CCC CG  
3436 N ND1 . HIS B 190 ? 0.957 1.002 0.885 -0.048 0.026  0.042  189 HIS CCC ND1 
3437 C CD2 . HIS B 190 ? 0.933 0.999 0.864 -0.041 0.052  0.012  189 HIS CCC CD2 
3438 C CE1 . HIS B 190 ? 0.985 1.024 0.880 -0.062 0.039  0.039  189 HIS CCC CE1 
3439 N NE2 . HIS B 190 ? 0.972 1.028 0.872 -0.058 0.057  0.019  189 HIS CCC NE2 
3440 N N   . LEU B 191 ? 0.737 0.813 0.751 -0.012 0.022  0.008  190 LEU CCC N   
3441 C CA  . LEU B 191 ? 0.732 0.809 0.754 -0.017 0.015  0.008  190 LEU CCC CA  
3442 C C   . LEU B 191 ? 0.775 0.830 0.765 -0.023 0.007  0.001  190 LEU CCC C   
3443 O O   . LEU B 191 ? 0.787 0.843 0.772 -0.035 -0.003 0.005  190 LEU CCC O   
3444 C CB  . LEU B 191 ? 0.686 0.766 0.729 -0.012 0.022  0.004  190 LEU CCC CB  
3445 C CG  . LEU B 191 ? 0.663 0.759 0.736 -0.009 0.028  0.011  190 LEU CCC CG  
3446 C CD1 . LEU B 191 ? 0.663 0.754 0.744 -0.006 0.037  0.005  190 LEU CCC CD1 
3447 C CD2 . LEU B 191 ? 0.646 0.760 0.736 -0.013 0.022  0.016  190 LEU CCC CD2 
3448 N N   . MET B 192 ? 0.833 0.891 0.903 -0.089 0.006  -0.031 191 MET CCC N   
3449 C CA  . MET B 192 ? 0.863 0.931 0.936 -0.080 0.014  -0.020 191 MET CCC CA  
3450 C C   . MET B 192 ? 0.830 0.873 0.886 -0.070 0.028  -0.018 191 MET CCC C   
3451 O O   . MET B 192 ? 0.811 0.856 0.862 -0.062 0.033  -0.013 191 MET CCC O   
3452 C CB  . MET B 192 ? 0.908 0.998 1.015 -0.082 0.016  -0.009 191 MET CCC CB  
3453 C CG  . MET B 192 ? 0.956 1.066 1.066 -0.081 -0.002 -0.008 191 MET CCC CG  
3454 S SD  . MET B 192 ? 1.079 1.216 1.234 -0.074 -0.005 0.003  191 MET CCC SD  
3455 C CE  . MET B 192 ? 1.071 1.227 1.278 -0.089 -0.004 -0.004 191 MET CCC CE  
3456 N N   . LYS B 193 ? 0.848 0.860 0.888 -0.068 0.031  -0.022 192 LYS CCC N   
3457 C CA  . LYS B 193 ? 0.883 0.858 0.896 -0.056 0.039  -0.021 192 LYS CCC CA  
3458 C C   . LYS B 193 ? 0.884 0.861 0.888 -0.046 0.030  -0.033 192 LYS CCC C   
3459 O O   . LYS B 193 ? 0.886 0.873 0.892 -0.047 0.018  -0.049 192 LYS CCC O   
3460 C CB  . LYS B 193 ? 0.943 0.871 0.926 -0.056 0.040  -0.024 192 LYS CCC CB  
3461 C CG  . LYS B 193 ? 0.983 0.894 0.970 -0.067 0.062  -0.011 192 LYS CCC CG  
3462 C CD  . LYS B 193 ? 1.058 0.925 1.017 -0.075 0.063  -0.015 192 LYS CCC CD  
3463 C CE  . LYS B 193 ? 1.122 0.912 1.015 -0.063 0.065  -0.016 192 LYS CCC CE  
3464 N NZ  . LYS B 193 ? 1.180 0.920 1.037 -0.069 0.060  -0.023 192 LYS CCC NZ  
3465 N N   . GLY B 194 ? 0.874 0.843 0.869 -0.037 0.037  -0.027 193 GLY CCC N   
3466 C CA  . GLY B 194 ? 0.858 0.827 0.849 -0.029 0.030  -0.041 193 GLY CCC CA  
3467 C C   . GLY B 194 ? 0.809 0.814 0.819 -0.039 0.032  -0.045 193 GLY CCC C   
3468 O O   . GLY B 194 ? 0.797 0.809 0.813 -0.038 0.028  -0.064 193 GLY CCC O   
3469 N N   . THR B 195 ? 0.785 0.809 0.804 -0.047 0.038  -0.030 194 THR CCC N   
3470 C CA  . THR B 195 ? 0.771 0.813 0.789 -0.056 0.039  -0.031 194 THR CCC CA  
3471 C C   . THR B 195 ? 0.765 0.804 0.776 -0.053 0.047  -0.015 194 THR CCC C   
3472 O O   . THR B 195 ? 0.777 0.818 0.775 -0.059 0.048  -0.013 194 THR CCC O   
3473 C CB  . THR B 195 ? 0.768 0.824 0.789 -0.065 0.031  -0.031 194 THR CCC CB  
3474 O OG1 . THR B 195 ? 0.739 0.802 0.774 -0.063 0.029  -0.014 194 THR CCC OG1 
3475 C CG2 . THR B 195 ? 0.769 0.824 0.795 -0.067 0.024  -0.046 194 THR CCC CG2 
3476 N N   . TRP B 196 ? 0.762 0.790 0.775 -0.042 0.052  -0.003 195 TRP CCC N   
3477 C CA  . TRP B 196 ? 0.790 0.812 0.798 -0.035 0.059  0.012  195 TRP CCC CA  
3478 C C   . TRP B 196 ? 0.829 0.869 0.848 -0.036 0.051  0.022  195 TRP CCC C   
3479 O O   . TRP B 196 ? 0.877 0.910 0.887 -0.029 0.051  0.032  195 TRP CCC O   
3480 C CB  . TRP B 196 ? 0.782 0.790 0.769 -0.037 0.063  0.007  195 TRP CCC CB  
3481 C CG  . TRP B 196 ? 0.760 0.750 0.741 -0.031 0.067  -0.002 195 TRP CCC CG  
3482 C CD1 . TRP B 196 ? 0.776 0.744 0.744 -0.021 0.073  0.007  195 TRP CCC CD1 
3483 C CD2 . TRP B 196 ? 0.735 0.722 0.722 -0.031 0.060  -0.022 195 TRP CCC CD2 
3484 N NE1 . TRP B 196 ? 0.768 0.718 0.730 -0.016 0.069  -0.007 195 TRP CCC NE1 
3485 C CE2 . TRP B 196 ? 0.745 0.706 0.719 -0.021 0.060  -0.025 195 TRP CCC CE2 
3486 C CE3 . TRP B 196 ? 0.727 0.728 0.727 -0.036 0.052  -0.039 195 TRP CCC CE3 
3487 C CZ2 . TRP B 196 ? 0.752 0.702 0.729 -0.014 0.047  -0.045 195 TRP CCC CZ2 
3488 C CZ3 . TRP B 196 ? 0.730 0.721 0.734 -0.029 0.041  -0.059 195 TRP CCC CZ3 
3489 C CH2 . TRP B 196 ? 0.766 0.732 0.759 -0.018 0.037  -0.063 195 TRP CCC CH2 
3490 N N   . MET B 197 ? 0.884 0.941 0.923 -0.042 0.043  0.019  196 MET CCC N   
3491 C CA  . MET B 197 ? 0.962 1.038 1.017 -0.042 0.028  0.024  196 MET CCC CA  
3492 C C   . MET B 197 ? 0.988 1.083 1.088 -0.038 0.031  0.029  196 MET CCC C   
3493 O O   . MET B 197 ? 1.022 1.124 1.141 -0.047 0.035  0.024  196 MET CCC O   
3494 C CB  . MET B 197 ? 1.004 1.085 1.052 -0.054 0.015  0.014  196 MET CCC CB  
3495 C CG  . MET B 197 ? 1.053 1.116 1.058 -0.060 0.015  0.008  196 MET CCC CG  
3496 S SD  . MET B 197 ? 1.138 1.181 1.108 -0.054 0.001  0.019  196 MET CCC SD  
3497 C CE  . MET B 197 ? 1.163 1.215 1.135 -0.059 -0.026 0.013  196 MET CCC CE  
3498 N N   . THR B 198 ? 1.013 1.115 1.130 -0.025 0.033  0.038  197 THR CCC N   
3499 C CA  . THR B 198 ? 1.026 1.155 1.198 -0.021 0.039  0.039  197 THR CCC CA  
3500 C C   . THR B 198 ? 1.051 1.210 1.259 -0.024 0.013  0.032  197 THR CCC C   
3501 O O   . THR B 198 ? 1.082 1.232 1.260 -0.022 -0.012 0.031  197 THR CCC O   
3502 C CB  . THR B 198 ? 1.059 1.186 1.241 -0.003 0.048  0.046  197 THR CCC CB  
3503 O OG1 . THR B 198 ? 1.094 1.215 1.256 0.008  0.025  0.050  197 THR CCC OG1 
3504 C CG2 . THR B 198 ? 1.071 1.165 1.216 0.000  0.071  0.052  197 THR CCC CG2 
3505 N N   . SER B 199 ? 1.079 1.351 1.273 -0.096 -0.025 0.085  198 SER CCC N   
3506 C CA  . SER B 199 ? 1.036 1.322 1.257 -0.096 -0.020 0.075  198 SER CCC CA  
3507 C C   . SER B 199 ? 1.013 1.311 1.222 -0.088 -0.025 0.070  198 SER CCC C   
3508 O O   . SER B 199 ? 0.965 1.290 1.190 -0.092 -0.030 0.062  198 SER CCC O   
3509 C CB  . SER B 199 ? 1.045 1.342 1.287 -0.097 -0.008 0.081  198 SER CCC CB  
3510 O OG  . SER B 199 ? 1.045 1.323 1.300 -0.102 0.004  0.086  198 SER CCC OG  
3511 N N   . GLU B 200 ? 1.035 1.307 1.207 -0.075 -0.019 0.078  199 GLU CCC N   
3512 C CA  . GLU B 200 ? 1.073 1.335 1.218 -0.055 -0.011 0.083  199 GLU CCC CA  
3513 C C   . GLU B 200 ? 1.058 1.319 1.203 -0.064 -0.021 0.077  199 GLU CCC C   
3514 O O   . GLU B 200 ? 1.030 1.329 1.189 -0.049 -0.019 0.080  199 GLU CCC O   
3515 C CB  . GLU B 200 ? 1.166 1.354 1.240 -0.040 0.006  0.088  199 GLU CCC CB  
3516 C CG  . GLU B 200 ? 1.239 1.401 1.273 -0.002 0.033  0.103  199 GLU CCC CG  
3517 C CD  . GLU B 200 ? 1.363 1.411 1.296 0.017  0.060  0.104  199 GLU CCC CD  
3518 O OE1 . GLU B 200 ? 1.393 1.406 1.293 0.006  0.057  0.096  199 GLU CCC OE1 
3519 O OE2 . GLU B 200 ? 1.431 1.412 1.305 0.044  0.088  0.114  199 GLU CCC OE2 
3520 N N   . VAL B 201 ? 1.047 1.285 1.182 -0.086 -0.031 0.075  200 VAL CCC N   
3521 C CA  . VAL B 201 ? 1.016 1.260 1.154 -0.094 -0.038 0.081  200 VAL CCC CA  
3522 C C   . VAL B 201 ? 0.951 1.244 1.129 -0.085 -0.041 0.078  200 VAL CCC C   
3523 O O   . VAL B 201 ? 0.917 1.227 1.097 -0.073 -0.039 0.082  200 VAL CCC O   
3524 C CB  . VAL B 201 ? 1.053 1.282 1.175 -0.128 -0.051 0.091  200 VAL CCC CB  
3525 C CG1 . VAL B 201 ? 1.040 1.299 1.182 -0.137 -0.056 0.109  200 VAL CCC CG1 
3526 C CG2 . VAL B 201 ? 1.144 1.294 1.195 -0.148 -0.048 0.085  200 VAL CCC CG2 
3527 N N   . LEU B 202 ? 0.921 1.224 1.118 -0.088 -0.041 0.073  201 LEU CCC N   
3528 C CA  . LEU B 202 ? 0.929 1.242 1.136 -0.080 -0.036 0.063  201 LEU CCC CA  
3529 C C   . LEU B 202 ? 0.957 1.291 1.159 -0.079 -0.041 0.047  201 LEU CCC C   
3530 O O   . LEU B 202 ? 0.979 1.323 1.169 -0.070 -0.041 0.041  201 LEU CCC O   
3531 C CB  . LEU B 202 ? 0.936 1.227 1.148 -0.085 -0.026 0.060  201 LEU CCC CB  
3532 C CG  . LEU B 202 ? 0.971 1.229 1.164 -0.081 -0.012 0.046  201 LEU CCC CG  
3533 C CD1 . LEU B 202 ? 1.001 1.258 1.180 -0.053 0.001  0.064  201 LEU CCC CD1 
3534 C CD2 . LEU B 202 ? 1.008 1.222 1.198 -0.087 0.007  0.045  201 LEU CCC CD2 
3535 N N   . SER B 203 ? 0.970 1.323 1.182 -0.085 -0.043 0.045  202 SER CCC N   
3536 C CA  . SER B 203 ? 0.962 1.373 1.181 -0.086 -0.050 0.043  202 SER CCC CA  
3537 C C   . SER B 203 ? 0.942 1.378 1.148 -0.059 -0.048 0.055  202 SER CCC C   
3538 O O   . SER B 203 ? 0.931 1.410 1.130 -0.060 -0.058 0.047  202 SER CCC O   
3539 C CB  . SER B 203 ? 0.960 1.403 1.198 -0.084 -0.045 0.059  202 SER CCC CB  
3540 O OG  . SER B 203 ? 0.986 1.518 1.241 -0.083 -0.053 0.071  202 SER CCC OG  
3541 N N   . TRP B 204 ? 0.932 1.330 1.123 -0.040 -0.035 0.072  203 TRP CCC N   
3542 C CA  . TRP B 204 ? 0.948 1.347 1.121 -0.014 -0.025 0.089  203 TRP CCC CA  
3543 C C   . TRP B 204 ? 0.932 1.340 1.107 -0.016 -0.032 0.083  203 TRP CCC C   
3544 O O   . TRP B 204 ? 0.912 1.361 1.081 0.006  -0.029 0.091  203 TRP CCC O   
3545 C CB  . TRP B 204 ? 0.995 1.317 1.136 -0.011 -0.008 0.103  203 TRP CCC CB  
3546 C CG  . TRP B 204 ? 1.046 1.351 1.163 0.015  0.012  0.124  203 TRP CCC CG  
3547 C CD1 . TRP B 204 ? 1.104 1.398 1.193 0.055  0.040  0.147  203 TRP CCC CD1 
3548 C CD2 . TRP B 204 ? 1.065 1.365 1.185 0.009  0.011  0.133  203 TRP CCC CD2 
3549 N NE1 . TRP B 204 ? 1.145 1.417 1.215 0.073  0.059  0.168  203 TRP CCC NE1 
3550 C CE2 . TRP B 204 ? 1.110 1.387 1.202 0.042  0.039  0.159  203 TRP CCC CE2 
3551 C CE3 . TRP B 204 ? 1.052 1.370 1.196 -0.013 -0.004 0.131  203 TRP CCC CE3 
3552 C CZ2 . TRP B 204 ? 1.126 1.395 1.218 0.046  0.049  0.179  203 TRP CCC CZ2 
3553 C CZ3 . TRP B 204 ? 1.060 1.382 1.207 -0.006 0.005  0.154  203 TRP CCC CZ3 
3554 C CH2 . TRP B 204 ? 1.094 1.392 1.218 0.019  0.029  0.176  203 TRP CCC CH2 
3555 N N   . LEU B 205 ? 0.928 1.306 1.108 -0.033 -0.035 0.078  204 LEU CCC N   
3556 C CA  . LEU B 205 ? 0.927 1.313 1.105 -0.022 -0.032 0.083  204 LEU CCC CA  
3557 C C   . LEU B 205 ? 0.947 1.351 1.104 -0.016 -0.037 0.058  204 LEU CCC C   
3558 O O   . LEU B 205 ? 0.940 1.361 1.076 0.007  -0.032 0.063  204 LEU CCC O   
3559 C CB  . LEU B 205 ? 0.910 1.277 1.100 -0.034 -0.030 0.094  204 LEU CCC CB  
3560 C CG  . LEU B 205 ? 0.907 1.286 1.093 -0.010 -0.017 0.110  204 LEU CCC CG  
3561 C CD1 . LEU B 205 ? 0.903 1.314 1.097 0.005  -0.012 0.138  204 LEU CCC CD1 
3562 C CD2 . LEU B 205 ? 0.911 1.296 1.116 -0.013 -0.011 0.135  204 LEU CCC CD2 
3563 N N   . GLN B 206 ? 0.984 1.379 1.137 -0.040 -0.045 0.034  205 GLN CCC N   
3564 C CA  . GLN B 206 ? 1.066 1.460 1.181 -0.056 -0.054 0.002  205 GLN CCC CA  
3565 C C   . GLN B 206 ? 1.077 1.548 1.184 -0.047 -0.067 0.005  205 GLN CCC C   
3566 O O   . GLN B 206 ? 1.122 1.594 1.181 -0.044 -0.072 -0.013 205 GLN CCC O   
3567 C CB  . GLN B 206 ? 1.105 1.485 1.228 -0.097 -0.062 -0.017 205 GLN CCC CB  
3568 C CG  . GLN B 206 ? 1.131 1.437 1.255 -0.100 -0.044 -0.016 205 GLN CCC CG  
3569 C CD  . GLN B 206 ? 1.215 1.437 1.280 -0.096 -0.024 -0.035 205 GLN CCC CD  
3570 O OE1 . GLN B 206 ? 1.272 1.477 1.284 -0.085 -0.023 -0.051 205 GLN CCC OE1 
3571 N NE2 . GLN B 206 ? 1.237 1.398 1.300 -0.096 -0.003 -0.030 205 GLN CCC NE2 
3572 N N   . GLN B 207 ? 1.150 1.392 1.043 0.023  -0.018 0.047  206 GLN CCC N   
3573 C CA  . GLN B 207 ? 1.158 1.426 1.084 0.038  -0.007 0.044  206 GLN CCC CA  
3574 C C   . GLN B 207 ? 1.115 1.376 1.053 0.034  -0.028 0.041  206 GLN CCC C   
3575 O O   . GLN B 207 ? 1.081 1.366 1.051 0.033  -0.032 0.044  206 GLN CCC O   
3576 C CB  . GLN B 207 ? 1.234 1.486 1.135 0.062  0.015  0.037  206 GLN CCC CB  
3577 C CG  . GLN B 207 ? 1.310 1.561 1.177 0.069  0.047  0.039  206 GLN CCC CG  
3578 C CD  . GLN B 207 ? 1.401 1.637 1.243 0.106  0.078  0.028  206 GLN CCC CD  
3579 O OE1 . GLN B 207 ? 1.417 1.671 1.300 0.127  0.078  0.025  206 GLN CCC OE1 
3580 N NE2 . GLN B 207 ? 1.468 1.663 1.232 0.118  0.103  0.021  206 GLN CCC NE2 
3581 N N   . ALA B 208 ? 1.123 1.348 1.029 0.028  -0.045 0.039  207 ALA CCC N   
3582 C CA  . ALA B 208 ? 1.083 1.310 1.004 0.018  -0.064 0.046  207 ALA CCC CA  
3583 C C   . ALA B 208 ? 1.021 1.292 0.984 0.013  -0.062 0.052  207 ALA CCC C   
3584 O O   . ALA B 208 ? 1.022 1.313 1.000 0.011  -0.060 0.056  207 ALA CCC O   
3585 C CB  . ALA B 208 ? 1.123 1.305 1.009 0.005  -0.090 0.052  207 ALA CCC CB  
3586 N N   . ILE B 209 ? 1.010 1.287 0.979 0.013  -0.062 0.052  208 ILE CCC N   
3587 C CA  . ILE B 209 ? 0.980 1.285 0.979 0.019  -0.059 0.053  208 ILE CCC CA  
3588 C C   . ILE B 209 ? 0.994 1.301 0.988 0.026  -0.049 0.046  208 ILE CCC C   
3589 O O   . ILE B 209 ? 1.004 1.321 1.000 0.033  -0.042 0.044  208 ILE CCC O   
3590 C CB  . ILE B 209 ? 0.975 1.270 0.978 0.020  -0.072 0.055  208 ILE CCC CB  
3591 C CG1 . ILE B 209 ? 0.982 1.269 0.994 0.009  -0.093 0.068  208 ILE CCC CG1 
3592 C CG2 . ILE B 209 ? 0.971 1.278 0.993 0.037  -0.068 0.050  208 ILE CCC CG2 
3593 C CD1 . ILE B 209 ? 1.007 1.264 1.006 0.002  -0.114 0.072  208 ILE CCC CD1 
3594 N N   . GLY B 210 ? 1.019 1.317 1.004 0.023  -0.048 0.045  209 GLY CCC N   
3595 C CA  . GLY B 210 ? 1.027 1.326 1.016 0.022  -0.050 0.047  209 GLY CCC CA  
3596 C C   . GLY B 210 ? 1.034 1.334 1.020 0.023  -0.050 0.047  209 GLY CCC C   
3597 O O   . GLY B 210 ? 1.032 1.317 1.001 0.023  -0.056 0.045  209 GLY CCC O   
3598 N N   . VAL B 211 ? 1.045 1.348 1.036 0.023  -0.047 0.048  210 VAL CCC N   
3599 C CA  . VAL B 211 ? 1.069 1.366 1.054 0.019  -0.054 0.051  210 VAL CCC CA  
3600 C C   . VAL B 211 ? 1.101 1.405 1.071 0.014  -0.048 0.053  210 VAL CCC C   
3601 O O   . VAL B 211 ? 1.131 1.424 1.078 0.009  -0.050 0.055  210 VAL CCC O   
3602 C CB  . VAL B 211 ? 1.089 1.373 1.072 0.021  -0.060 0.052  210 VAL CCC CB  
3603 C CG1 . VAL B 211 ? 1.105 1.375 1.076 0.010  -0.075 0.059  210 VAL CCC CG1 
3604 C CG2 . VAL B 211 ? 1.093 1.376 1.090 0.037  -0.054 0.049  210 VAL CCC CG2 
3605 N N   . MET B 212 ? 1.103 1.425 1.085 0.015  -0.042 0.056  211 MET CCC N   
3606 C CA  . MET B 212 ? 1.120 1.471 1.109 0.014  -0.028 0.064  211 MET CCC CA  
3607 C C   . MET B 212 ? 1.176 1.520 1.140 0.031  -0.012 0.053  211 MET CCC C   
3608 O O   . MET B 212 ? 1.208 1.560 1.149 0.031  0.004  0.057  211 MET CCC O   
3609 C CB  . MET B 212 ? 1.095 1.473 1.121 0.015  -0.030 0.073  211 MET CCC CB  
3610 C CG  . MET B 212 ? 1.087 1.518 1.148 0.016  -0.013 0.091  211 MET CCC CG  
3611 S SD  . MET B 212 ? 1.058 1.522 1.182 0.013  -0.030 0.111  211 MET CCC SD  
3612 C CE  . MET B 212 ? 1.072 1.503 1.185 0.037  -0.033 0.086  211 MET CCC CE  
3613 N N   . MET B 213 ? 1.245 1.565 1.202 0.043  -0.019 0.041  212 MET CCC N   
3614 C CA  . MET B 213 ? 1.334 1.624 1.252 0.062  -0.014 0.027  212 MET CCC CA  
3615 C C   . MET B 213 ? 1.399 1.644 1.260 0.053  -0.022 0.024  212 MET CCC C   
3616 O O   . MET B 213 ? 1.414 1.629 1.219 0.069  -0.009 0.015  212 MET CCC O   
3617 C CB  . MET B 213 ? 1.373 1.634 1.292 0.067  -0.033 0.020  212 MET CCC CB  
3618 C CG  . MET B 213 ? 1.375 1.663 1.337 0.074  -0.033 0.024  212 MET CCC CG  
3619 S SD  . MET B 213 ? 1.454 1.761 1.431 0.112  -0.013 0.017  212 MET CCC SD  
3620 C CE  . MET B 213 ? 1.400 1.745 1.447 0.106  -0.027 0.033  212 MET CCC CE  
3621 N N   . ARG B 214 ? 1.387 1.392 1.388 -0.016 -0.013 0.051  213 ARG CCC N   
3622 C CA  . ARG B 214 ? 1.430 1.431 1.447 -0.007 -0.016 0.050  213 ARG CCC CA  
3623 C C   . ARG B 214 ? 1.445 1.449 1.457 0.005  -0.005 0.039  213 ARG CCC C   
3624 O O   . ARG B 214 ? 1.467 1.465 1.478 0.008  -0.018 0.039  213 ARG CCC O   
3625 C CB  . ARG B 214 ? 1.424 1.440 1.465 -0.020 -0.003 0.064  213 ARG CCC CB  
3626 C CG  . ARG B 214 ? 1.423 1.453 1.484 -0.017 0.031  0.058  213 ARG CCC CG  
3627 C CD  . ARG B 214 ? 1.436 1.483 1.539 -0.026 0.055  0.069  213 ARG CCC CD  
3628 N NE  . ARG B 214 ? 1.474 1.529 1.555 -0.048 0.059  0.074  213 ARG CCC NE  
3629 C CZ  . ARG B 214 ? 1.501 1.573 1.586 -0.065 0.099  0.069  213 ARG CCC CZ  
3630 N NH1 . ARG B 214 ? 1.526 1.610 1.580 -0.093 0.095  0.079  213 ARG CCC NH1 
3631 N NH2 . ARG B 214 ? 1.500 1.577 1.622 -0.058 0.143  0.054  213 ARG CCC NH2 
3632 N N   . GLN B 215 ? 1.429 1.442 1.433 0.006  0.016  0.032  214 GLN CCC N   
3633 C CA  . GLN B 215 ? 1.445 1.464 1.450 0.015  0.024  0.028  214 GLN CCC CA  
3634 C C   . GLN B 215 ? 1.491 1.510 1.475 0.024  0.017  0.019  214 GLN CCC C   
3635 O O   . GLN B 215 ? 1.511 1.541 1.491 0.028  0.026  0.018  214 GLN CCC O   
3636 C CB  . GLN B 215 ? 1.444 1.469 1.462 0.010  0.049  0.024  214 GLN CCC CB  
3637 C CG  . GLN B 215 ? 1.453 1.481 1.513 0.006  0.068  0.029  214 GLN CCC CG  
3638 C CD  . GLN B 215 ? 1.474 1.499 1.560 0.005  0.099  0.019  214 GLN CCC CD  
3639 O OE1 . GLN B 215 ? 1.495 1.516 1.567 0.007  0.099  0.013  214 GLN CCC OE1 
3640 N NE2 . GLN B 215 ? 1.478 1.504 1.610 0.002  0.127  0.016  214 GLN CCC NE2 
3641 N N   . ALA B 216 ? 1.539 1.546 1.519 0.028  0.005  0.014  215 ALA CCC N   
3642 C CA  . ALA B 216 ? 1.544 1.549 1.523 0.041  0.006  0.003  215 ALA CCC CA  
3643 C C   . ALA B 216 ? 1.629 1.621 1.588 0.045  0.004  -0.015 215 ALA CCC C   
3644 O O   . ALA B 216 ? 1.608 1.587 1.570 0.055  0.010  -0.033 215 ALA CCC O   
3645 C CB  . ALA B 216 ? 1.534 1.531 1.539 0.041  -0.006 0.010  215 ALA CCC CB  
3646 N N   . GLN B 217 ? 1.694 1.688 1.636 0.033  -0.003 -0.008 216 GLN CCC N   
3647 C CA  . GLN B 217 ? 1.723 1.711 1.629 0.022  -0.009 -0.018 216 GLN CCC CA  
3648 C C   . GLN B 217 ? 1.705 1.718 1.592 0.021  0.006  -0.019 216 GLN CCC C   
3649 O O   . GLN B 217 ? 1.674 1.687 1.530 0.022  0.021  -0.041 216 GLN CCC O   
3650 C CB  . GLN B 217 ? 1.723 1.712 1.635 0.003  -0.031 0.006  216 GLN CCC CB  
3651 C CG  . GLN B 217 ? 1.706 1.678 1.642 0.001  -0.046 0.015  216 GLN CCC CG  
3652 C CD  . GLN B 217 ? 1.756 1.692 1.663 -0.006 -0.062 -0.005 216 GLN CCC CD  
3653 O OE1 . GLN B 217 ? 1.767 1.690 1.635 -0.027 -0.077 -0.010 216 GLN CCC OE1 
3654 N NE2 . GLN B 217 ? 1.737 1.655 1.666 0.005  -0.062 -0.014 216 GLN CCC NE2 
3655 N N   . GLY C 1   ? 2.750 1.322 0.979 0.059  -0.668 0.140  0   GLY AAA N   
3656 C CA  . GLY C 1   ? 2.444 1.267 0.932 0.069  -0.539 0.176  0   GLY AAA CA  
3657 C C   . GLY C 1   ? 2.215 1.168 0.938 0.021  -0.511 0.184  0   GLY AAA C   
3658 O O   . GLY C 1   ? 2.041 1.148 0.990 -0.033 -0.507 0.234  0   GLY AAA O   
3659 N N   . MET C 2   ? 2.227 1.117 0.892 0.048  -0.484 0.140  1   MET AAA N   
3660 C CA  . MET C 2   ? 2.031 1.033 0.892 0.010  -0.455 0.145  1   MET AAA CA  
3661 C C   . MET C 2   ? 1.776 0.978 0.836 0.021  -0.343 0.169  1   MET AAA C   
3662 O O   . MET C 2   ? 1.620 0.938 0.870 -0.028 -0.344 0.204  1   MET AAA O   
3663 C CB  . MET C 2   ? 2.109 1.007 0.854 0.052  -0.433 0.096  1   MET AAA CB  
3664 C CG  . MET C 2   ? 1.966 0.955 0.886 0.008  -0.425 0.105  1   MET AAA CG  
3665 S SD  . MET C 2   ? 2.079 0.948 0.873 0.055  -0.403 0.056  1   MET AAA SD  
3666 C CE  . MET C 2   ? 2.058 0.973 0.781 0.158  -0.265 0.045  1   MET AAA CE  
3667 N N   . TYR C 3   ? 1.755 0.987 0.770 0.086  -0.254 0.159  2   TYR AAA N   
3668 C CA  . TYR C 3   ? 1.575 0.967 0.762 0.093  -0.162 0.181  2   TYR AAA CA  
3669 C C   . TYR C 3   ? 1.502 0.981 0.812 0.058  -0.173 0.223  2   TYR AAA C   
3670 O O   . TYR C 3   ? 1.338 0.926 0.806 0.042  -0.125 0.239  2   TYR AAA O   
3671 C CB  . TYR C 3   ? 1.620 1.021 0.740 0.166  -0.080 0.182  2   TYR AAA CB  
3672 C CG  . TYR C 3   ? 1.635 1.025 0.737 0.196  -0.038 0.163  2   TYR AAA CG  
3673 C CD1 . TYR C 3   ? 1.819 1.071 0.736 0.246  -0.049 0.136  2   TYR AAA CD1 
3674 C CD2 . TYR C 3   ? 1.487 0.993 0.747 0.177  0.010  0.174  2   TYR AAA CD2 
3675 C CE1 . TYR C 3   ? 1.815 1.064 0.728 0.277  -0.005 0.128  2   TYR AAA CE1 
3676 C CE2 . TYR C 3   ? 1.479 0.986 0.736 0.199  0.043  0.167  2   TYR AAA CE2 
3677 C CZ  . TYR C 3   ? 1.632 1.021 0.728 0.251  0.041  0.148  2   TYR AAA CZ  
3678 O OH  . TYR C 3   ? 1.642 1.041 0.747 0.278  0.079  0.151  2   TYR AAA OH  
3679 N N   . ASP C 4   ? 1.634 1.053 0.863 0.047  -0.239 0.242  3   ASP AAA N   
3680 C CA  . ASP C 4   ? 1.582 1.082 0.926 0.017  -0.253 0.295  3   ASP AAA CA  
3681 C C   . ASP C 4   ? 1.480 1.041 0.985 -0.045 -0.295 0.331  3   ASP AAA C   
3682 O O   . ASP C 4   ? 1.401 1.069 1.062 -0.055 -0.257 0.373  3   ASP AAA O   
3683 C CB  . ASP C 4   ? 1.767 1.180 0.959 0.027  -0.316 0.310  3   ASP AAA CB  
3684 C CG  . ASP C 4   ? 1.870 1.242 0.911 0.106  -0.253 0.294  3   ASP AAA CG  
3685 O OD1 . ASP C 4   ? 1.778 1.261 0.926 0.130  -0.174 0.323  3   ASP AAA OD1 
3686 O OD2 . ASP C 4   ? 2.076 1.300 0.895 0.147  -0.281 0.259  3   ASP AAA OD2 
3687 N N   . ARG C 5   ? 1.512 1.007 0.986 -0.079 -0.365 0.323  4   ARG AAA N   
3688 C CA  . ARG C 5   ? 1.424 0.989 1.067 -0.132 -0.402 0.377  4   ARG AAA CA  
3689 C C   . ARG C 5   ? 1.244 0.904 1.010 -0.113 -0.307 0.366  4   ARG AAA C   
3690 O O   . ARG C 5   ? 1.202 0.950 1.124 -0.133 -0.297 0.424  4   ARG AAA O   
3691 C CB  . ARG C 5   ? 1.564 1.019 1.137 -0.178 -0.517 0.381  4   ARG AAA CB  
3692 C CG  . ARG C 5   ? 1.769 1.112 1.224 -0.213 -0.641 0.405  4   ARG AAA CG  
3693 C CD  . ARG C 5   ? 1.925 1.153 1.341 -0.277 -0.782 0.426  4   ARG AAA CD  
3694 N NE  . ARG C 5   ? 2.069 1.128 1.282 -0.250 -0.800 0.342  4   ARG AAA NE  
3695 C CZ  . ARG C 5   ? 2.006 1.079 1.272 -0.247 -0.768 0.321  4   ARG AAA CZ  
3696 N NH1 . ARG C 5   ? 1.809 1.054 1.309 -0.265 -0.711 0.373  4   ARG AAA NH1 
3697 N NH2 . ARG C 5   ? 2.155 1.061 1.225 -0.216 -0.786 0.250  4   ARG AAA NH2 
3698 N N   . TRP C 6   ? 1.163 0.805 0.858 -0.073 -0.241 0.304  5   TRP AAA N   
3699 C CA  . TRP C 6   ? 1.024 0.720 0.790 -0.061 -0.174 0.284  5   TRP AAA CA  
3700 C C   . TRP C 6   ? 0.941 0.696 0.760 -0.033 -0.093 0.277  5   TRP AAA C   
3701 O O   . TRP C 6   ? 0.876 0.672 0.765 -0.029 -0.049 0.277  5   TRP AAA O   
3702 C CB  . TRP C 6   ? 1.038 0.665 0.699 -0.047 -0.177 0.232  5   TRP AAA CB  
3703 C CG  . TRP C 6   ? 1.046 0.634 0.713 -0.081 -0.242 0.244  5   TRP AAA CG  
3704 C CD1 . TRP C 6   ? 1.179 0.659 0.751 -0.104 -0.336 0.246  5   TRP AAA CD1 
3705 C CD2 . TRP C 6   ? 0.953 0.605 0.731 -0.097 -0.227 0.267  5   TRP AAA CD2 
3706 N NE1 . TRP C 6   ? 1.178 0.655 0.814 -0.142 -0.386 0.272  5   TRP AAA NE1 
3707 C CE2 . TRP C 6   ? 1.031 0.624 0.798 -0.133 -0.313 0.288  5   TRP AAA CE2 
3708 C CE3 . TRP C 6   ? 0.842 0.578 0.706 -0.080 -0.153 0.271  5   TRP AAA CE3 
3709 C CZ2 . TRP C 6   ? 0.980 0.623 0.851 -0.154 -0.319 0.325  5   TRP AAA CZ2 
3710 C CZ3 . TRP C 6   ? 0.815 0.591 0.753 -0.091 -0.153 0.300  5   TRP AAA CZ3 
3711 C CH2 . TRP C 6   ? 0.870 0.615 0.827 -0.127 -0.230 0.333  5   TRP AAA CH2 
3712 N N   . PHE C 7   ? 0.990 0.739 0.768 -0.013 -0.077 0.274  6   PHE AAA N   
3713 C CA  . PHE C 7   ? 0.950 0.741 0.782 0.006  -0.015 0.274  6   PHE AAA CA  
3714 C C   . PHE C 7   ? 0.986 0.805 0.861 0.009  -0.015 0.316  6   PHE AAA C   
3715 O O   . PHE C 7   ? 1.064 0.858 0.878 0.004  -0.063 0.334  6   PHE AAA O   
3716 C CB  . PHE C 7   ? 0.962 0.736 0.729 0.031  0.012  0.247  6   PHE AAA CB  
3717 C CG  . PHE C 7   ? 0.944 0.701 0.684 0.030  0.019  0.214  6   PHE AAA CG  
3718 C CD1 . PHE C 7   ? 1.004 0.707 0.650 0.038  -0.011 0.196  6   PHE AAA CD1 
3719 C CD2 . PHE C 7   ? 0.878 0.659 0.673 0.023  0.049  0.202  6   PHE AAA CD2 
3720 C CE1 . PHE C 7   ? 0.987 0.682 0.619 0.040  -0.001 0.173  6   PHE AAA CE1 
3721 C CE2 . PHE C 7   ? 0.872 0.644 0.644 0.020  0.050  0.179  6   PHE AAA CE2 
3722 C CZ  . PHE C 7   ? 0.914 0.654 0.617 0.030  0.030  0.168  6   PHE AAA CZ  
3723 N N   . SER C 8   ? 0.962 0.815 0.922 0.016  0.031  0.330  7   SER AAA N   
3724 C CA  . SER C 8   ? 1.014 0.897 1.027 0.024  0.042  0.372  7   SER AAA CA  
3725 C C   . SER C 8   ? 1.073 0.954 1.035 0.042  0.051  0.371  7   SER AAA C   
3726 O O   . SER C 8   ? 1.119 0.983 1.032 0.052  0.063  0.342  7   SER AAA O   
3727 C CB  . SER C 8   ? 0.988 0.879 1.092 0.034  0.089  0.383  7   SER AAA CB  
3728 O OG  . SER C 8   ? 0.985 0.840 1.073 0.038  0.115  0.346  7   SER AAA OG  
3729 N N   . GLN C 9   ? 1.132 1.040 1.115 0.051  0.051  0.415  8   GLN AAA N   
3730 C CA  . GLN C 9   ? 1.187 1.111 1.135 0.079  0.070  0.436  8   GLN AAA CA  
3731 C C   . GLN C 9   ? 1.137 1.078 1.162 0.080  0.110  0.434  8   GLN AAA C   
3732 O O   . GLN C 9   ? 1.156 1.110 1.150 0.102  0.127  0.445  8   GLN AAA O   
3733 C CB  . GLN C 9   ? 1.248 1.206 1.221 0.086  0.062  0.491  8   GLN AAA CB  
3734 C CG  . GLN C 9   ? 1.375 1.296 1.232 0.084  0.003  0.499  8   GLN AAA CG  
3735 C CD  . GLN C 9   ? 1.418 1.379 1.339 0.069  -0.023 0.557  8   GLN AAA CD  
3736 O OE1 . GLN C 9   ? 1.464 1.421 1.405 0.036  -0.076 0.574  8   GLN AAA OE1 
3737 N NE2 . GLN C 9   ? 1.409 1.420 1.384 0.090  0.011  0.602  8   GLN AAA NE2 
3738 N N   . GLN C 10  ? 1.099 1.029 1.212 0.061  0.122  0.428  9   GLN AAA N   
3739 C CA  . GLN C 10  ? 1.088 0.998 1.261 0.049  0.135  0.423  9   GLN AAA CA  
3740 C C   . GLN C 10  ? 1.076 0.967 1.201 0.040  0.127  0.386  9   GLN AAA C   
3741 O O   . GLN C 10  ? 1.078 0.983 1.244 0.033  0.126  0.409  9   GLN AAA O   
3742 C CB  . GLN C 10  ? 1.130 0.984 1.350 0.041  0.145  0.409  9   GLN AAA CB  
3743 C CG  . GLN C 10  ? 1.191 0.984 1.449 0.023  0.138  0.403  9   GLN AAA CG  
3744 C CD  . GLN C 10  ? 1.280 1.005 1.579 0.030  0.151  0.410  9   GLN AAA CD  
3745 O OE1 . GLN C 10  ? 1.309 1.032 1.680 0.024  0.147  0.450  9   GLN AAA OE1 
3746 N NE2 . GLN C 10  ? 1.326 0.996 1.582 0.052  0.174  0.379  9   GLN AAA NE2 
3747 N N   . GLU C 11  ? 1.028 0.896 1.088 0.038  0.117  0.344  10  GLU AAA N   
3748 C CA  . GLU C 11  ? 1.008 0.860 1.022 0.031  0.110  0.310  10  GLU AAA CA  
3749 C C   . GLU C 11  ? 1.012 0.897 0.976 0.057  0.116  0.331  10  GLU AAA C   
3750 O O   . GLU C 11  ? 1.018 0.916 0.993 0.056  0.121  0.338  10  GLU AAA O   
3751 C CB  . GLU C 11  ? 0.994 0.818 0.963 0.025  0.100  0.271  10  GLU AAA CB  
3752 C CG  . GLU C 11  ? 0.992 0.775 0.986 0.019  0.111  0.252  10  GLU AAA CG  
3753 C CD  . GLU C 11  ? 0.972 0.750 0.945 0.023  0.113  0.239  10  GLU AAA CD  
3754 O OE1 . GLU C 11  ? 0.948 0.757 0.913 0.021  0.092  0.255  10  GLU AAA OE1 
3755 O OE2 . GLU C 11  ? 0.988 0.724 0.947 0.030  0.131  0.219  10  GLU AAA OE2 
3756 N N   . LEU C 12  ? 1.049 0.936 0.950 0.083  0.114  0.346  11  LEU AAA N   
3757 C CA  . LEU C 12  ? 1.133 1.018 0.937 0.129  0.128  0.363  11  LEU AAA CA  
3758 C C   . LEU C 12  ? 1.146 1.096 1.016 0.157  0.168  0.429  11  LEU AAA C   
3759 O O   . LEU C 12  ? 1.221 1.181 1.034 0.205  0.199  0.455  11  LEU AAA O   
3760 C CB  . LEU C 12  ? 1.218 1.059 0.911 0.149  0.102  0.361  11  LEU AAA CB  
3761 C CG  . LEU C 12  ? 1.258 1.031 0.877 0.125  0.050  0.315  11  LEU AAA CG  
3762 C CD1 . LEU C 12  ? 1.367 1.088 0.886 0.128  0.001  0.324  11  LEU AAA CD1 
3763 C CD2 . LEU C 12  ? 1.303 1.025 0.831 0.145  0.053  0.281  11  LEU AAA CD2 
3764 N N   . GLN C 13  ? 1.114 1.104 1.104 0.133  0.170  0.464  12  GLN AAA N   
3765 C CA  . GLN C 13  ? 1.114 1.178 1.211 0.145  0.196  0.545  12  GLN AAA CA  
3766 C C   . GLN C 13  ? 1.069 1.150 1.245 0.116  0.187  0.558  12  GLN AAA C   
3767 O O   . GLN C 13  ? 1.060 1.215 1.309 0.139  0.212  0.641  12  GLN AAA O   
3768 C CB  . GLN C 13  ? 1.104 1.184 1.309 0.118  0.186  0.576  12  GLN AAA CB  
3769 C CG  . GLN C 13  ? 1.151 1.246 1.310 0.151  0.199  0.599  12  GLN AAA CG  
3770 C CD  . GLN C 13  ? 1.241 1.366 1.299 0.220  0.236  0.644  12  GLN AAA CD  
3771 O OE1 . GLN C 13  ? 1.258 1.459 1.382 0.256  0.275  0.729  12  GLN AAA OE1 
3772 N NE2 . GLN C 13  ? 1.310 1.368 1.200 0.246  0.224  0.592  12  GLN AAA NE2 
3773 N N   . VAL C 14  ? 1.033 1.054 1.198 0.070  0.152  0.491  13  VAL AAA N   
3774 C CA  . VAL C 14  ? 1.022 1.041 1.253 0.028  0.122  0.496  13  VAL AAA CA  
3775 C C   . VAL C 14  ? 1.005 1.028 1.167 0.048  0.134  0.475  13  VAL AAA C   
3776 O O   . VAL C 14  ? 0.989 1.047 1.218 0.028  0.121  0.515  13  VAL AAA O   
3777 C CB  . VAL C 14  ? 1.057 0.983 1.286 -0.024 0.079  0.435  13  VAL AAA CB  
3778 C CG1 . VAL C 14  ? 1.091 0.987 1.357 -0.072 0.031  0.437  13  VAL AAA CG1 
3779 C CG2 . VAL C 14  ? 1.099 1.001 1.386 -0.035 0.073  0.454  13  VAL AAA CG2 
3780 N N   . LEU C 15  ? 0.634 1.055 0.975 0.157  0.067  0.200  14  LEU AAA N   
3781 C CA  . LEU C 15  ? 0.576 1.023 0.942 0.136  0.061  0.188  14  LEU AAA CA  
3782 C C   . LEU C 15  ? 0.580 0.995 0.887 0.125  0.055  0.178  14  LEU AAA C   
3783 O O   . LEU C 15  ? 0.599 0.993 0.876 0.123  0.028  0.179  14  LEU AAA O   
3784 C CB  . LEU C 15  ? 0.571 1.063 1.000 0.129  0.037  0.191  14  LEU AAA CB  
3785 C CG  . LEU C 15  ? 0.561 1.049 0.993 0.104  0.043  0.179  14  LEU AAA CG  
3786 C CD1 . LEU C 15  ? 0.558 1.033 0.992 0.108  0.083  0.179  14  LEU AAA CD1 
3787 C CD2 . LEU C 15  ? 0.581 1.114 1.076 0.081  0.021  0.172  14  LEU AAA CD2 
3788 N N   . PRO C 16  ? 0.581 0.994 0.871 0.121  0.078  0.166  15  PRO AAA N   
3789 C CA  . PRO C 16  ? 0.609 0.997 0.854 0.118  0.082  0.158  15  PRO AAA CA  
3790 C C   . PRO C 16  ? 0.647 1.007 0.867 0.113  0.065  0.160  15  PRO AAA C   
3791 O O   . PRO C 16  ? 0.709 1.022 0.871 0.111  0.063  0.157  15  PRO AAA O   
3792 C CB  . PRO C 16  ? 0.593 1.021 0.856 0.125  0.103  0.145  15  PRO AAA CB  
3793 C CG  . PRO C 16  ? 0.565 1.018 0.857 0.119  0.111  0.141  15  PRO AAA CG  
3794 C CD  . PRO C 16  ? 0.564 1.003 0.875 0.122  0.100  0.158  15  PRO AAA CD  
3795 N N   . PHE C 17  ? 0.630 1.004 0.880 0.106  0.059  0.161  16  PHE AAA N   
3796 C CA  . PHE C 17  ? 0.700 1.034 0.918 0.088  0.052  0.156  16  PHE AAA CA  
3797 C C   . PHE C 17  ? 0.777 1.100 0.980 0.068  0.013  0.152  16  PHE AAA C   
3798 O O   . PHE C 17  ? 0.859 1.130 1.007 0.047  0.006  0.141  16  PHE AAA O   
3799 C CB  . PHE C 17  ? 0.684 1.025 0.939 0.076  0.069  0.154  16  PHE AAA CB  
3800 C CG  . PHE C 17  ? 0.700 1.002 0.910 0.100  0.105  0.156  16  PHE AAA CG  
3801 C CD1 . PHE C 17  ? 0.753 0.994 0.885 0.113  0.121  0.155  16  PHE AAA CD1 
3802 C CD2 . PHE C 17  ? 0.679 0.995 0.909 0.117  0.126  0.162  16  PHE AAA CD2 
3803 C CE1 . PHE C 17  ? 0.784 0.990 0.866 0.152  0.152  0.162  16  PHE AAA CE1 
3804 C CE2 . PHE C 17  ? 0.721 0.994 0.890 0.151  0.153  0.166  16  PHE AAA CE2 
3805 C CZ  . PHE C 17  ? 0.776 0.999 0.874 0.172  0.164  0.167  16  PHE AAA CZ  
3806 N N   . ALA C 18  ? 0.825 1.184 1.057 0.080  -0.012 0.159  17  ALA AAA N   
3807 C CA  . ALA C 18  ? 0.895 1.253 1.104 0.079  -0.060 0.158  17  ALA AAA CA  
3808 C C   . ALA C 18  ? 0.998 1.264 1.089 0.085  -0.060 0.158  17  ALA AAA C   
3809 O O   . ALA C 18  ? 1.108 1.337 1.139 0.069  -0.095 0.147  17  ALA AAA O   
3810 C CB  . ALA C 18  ? 0.879 1.287 1.137 0.109  -0.076 0.174  17  ALA AAA CB  
3811 N N   . GLU C 19  ? 1.022 1.252 1.080 0.103  -0.019 0.164  18  GLU AAA N   
3812 C CA  . GLU C 19  ? 1.135 1.272 1.087 0.109  0.003  0.163  18  GLU AAA CA  
3813 C C   . GLU C 19  ? 1.141 1.242 1.061 0.095  0.025  0.153  18  GLU AAA C   
3814 O O   . GLU C 19  ? 1.078 1.228 1.059 0.094  0.046  0.151  18  GLU AAA O   
3815 C CB  . GLU C 19  ? 1.152 1.279 1.106 0.121  0.053  0.165  18  GLU AAA CB  
3816 C CG  . GLU C 19  ? 1.103 1.284 1.120 0.115  0.093  0.155  18  GLU AAA CG  
3817 C CD  . GLU C 19  ? 1.055 1.294 1.136 0.113  0.119  0.150  18  GLU AAA CD  
3818 O OE1 . GLU C 19  ? 1.070 1.287 1.140 0.116  0.120  0.156  18  GLU AAA OE1 
3819 O OE2 . GLU C 19  ? 1.007 1.306 1.140 0.112  0.137  0.139  18  GLU AAA OE2 
3820 N N   . GLN C 20  ? 1.244 1.249 1.056 0.090  0.026  0.149  19  GLN AAA N   
3821 C CA  . GLN C 20  ? 1.283 1.227 1.042 0.087  0.064  0.143  19  GLN AAA CA  
3822 C C   . GLN C 20  ? 1.239 1.202 1.026 0.112  0.124  0.148  19  GLN AAA C   
3823 O O   . GLN C 20  ? 1.220 1.185 1.010 0.119  0.141  0.149  19  GLN AAA O   
3824 C CB  . GLN C 20  ? 1.445 1.265 1.064 0.073  0.052  0.136  19  GLN AAA CB  
3825 C CG  . GLN C 20  ? 1.491 1.303 1.095 0.034  0.010  0.120  19  GLN AAA CG  
3826 C CD  . GLN C 20  ? 1.484 1.276 1.095 0.028  0.055  0.117  19  GLN AAA CD  
3827 O OE1 . GLN C 20  ? 1.395 1.256 1.092 0.017  0.052  0.114  19  GLN AAA OE1 
3828 N NE2 . GLN C 20  ? 1.572 1.253 1.079 0.041  0.105  0.119  19  GLN AAA NE2 
3829 N N   . ASP C 21  ? 0.848 0.963 0.911 0.067  -0.011 0.082  20  ASP AAA N   
3830 C CA  . ASP C 21  ? 0.840 0.938 0.902 0.062  0.006  0.073  20  ASP AAA CA  
3831 C C   . ASP C 21  ? 0.817 0.922 0.870 0.055  0.012  0.059  20  ASP AAA C   
3832 O O   . ASP C 21  ? 0.785 0.903 0.854 0.054  0.009  0.048  20  ASP AAA O   
3833 C CB  . ASP C 21  ? 0.824 0.911 0.909 0.067  0.011  0.069  20  ASP AAA CB  
3834 C CG  . ASP C 21  ? 0.838 0.910 0.926 0.054  0.018  0.067  20  ASP AAA CG  
3835 O OD1 . ASP C 21  ? 0.848 0.933 0.938 0.047  0.026  0.068  20  ASP AAA OD1 
3836 O OD2 . ASP C 21  ? 0.857 0.901 0.945 0.052  0.017  0.067  20  ASP AAA OD2 
3837 N N   . GLU C 22  ? 0.860 0.950 0.881 0.052  0.023  0.063  21  GLU AAA N   
3838 C CA  . GLU C 22  ? 0.875 0.957 0.871 0.050  0.034  0.052  21  GLU AAA CA  
3839 C C   . GLU C 22  ? 0.800 0.899 0.835 0.051  0.048  0.048  21  GLU AAA C   
3840 O O   . GLU C 22  ? 0.768 0.867 0.798 0.051  0.050  0.037  21  GLU AAA O   
3841 C CB  . GLU C 22  ? 0.984 1.032 0.923 0.052  0.050  0.060  21  GLU AAA CB  
3842 C CG  . GLU C 22  ? 1.073 1.097 0.958 0.044  0.027  0.062  21  GLU AAA CG  
3843 C CD  . GLU C 22  ? 1.137 1.146 0.986 0.031  0.010  0.049  21  GLU AAA CD  
3844 O OE1 . GLU C 22  ? 1.118 1.148 1.001 0.030  0.010  0.037  21  GLU AAA OE1 
3845 O OE2 . GLU C 22  ? 1.257 1.226 1.035 0.019  -0.005 0.052  21  GLU AAA OE2 
3846 N N   . GLN C 23  ? 0.772 0.881 0.842 0.049  0.052  0.059  22  GLN AAA N   
3847 C CA  . GLN C 23  ? 0.783 0.909 0.892 0.044  0.055  0.062  22  GLN AAA CA  
3848 C C   . GLN C 23  ? 0.754 0.883 0.872 0.041  0.039  0.044  22  GLN AAA C   
3849 O O   . GLN C 23  ? 0.738 0.877 0.865 0.041  0.042  0.038  22  GLN AAA O   
3850 C CB  . GLN C 23  ? 0.822 0.951 0.958 0.034  0.052  0.080  22  GLN AAA CB  
3851 C CG  . GLN C 23  ? 0.860 1.012 1.039 0.022  0.051  0.094  22  GLN AAA CG  
3852 C CD  . GLN C 23  ? 0.900 1.057 1.105 0.007  0.050  0.120  22  GLN AAA CD  
3853 O OE1 . GLN C 23  ? 0.991 1.120 1.180 -0.003 0.037  0.119  22  GLN AAA OE1 
3854 N NE2 . GLN C 23  ? 0.895 1.087 1.140 0.006  0.067  0.148  22  GLN AAA NE2 
3855 N N   . ARG C 24  ? 0.735 0.853 0.847 0.042  0.027  0.038  23  ARG AAA N   
3856 C CA  . ARG C 24  ? 0.670 0.786 0.786 0.045  0.019  0.025  23  ARG AAA CA  
3857 C C   . ARG C 24  ? 0.610 0.742 0.720 0.047  0.019  0.016  23  ARG AAA C   
3858 O O   . ARG C 24  ? 0.603 0.738 0.721 0.046  0.019  0.006  23  ARG AAA O   
3859 C CB  . ARG C 24  ? 0.705 0.806 0.816 0.054  0.015  0.029  23  ARG AAA CB  
3860 C CG  . ARG C 24  ? 0.719 0.819 0.835 0.064  0.017  0.021  23  ARG AAA CG  
3861 C CD  . ARG C 24  ? 0.758 0.835 0.869 0.079  0.022  0.029  23  ARG AAA CD  
3862 N NE  . ARG C 24  ? 0.782 0.886 0.907 0.088  0.017  0.044  23  ARG AAA NE  
3863 C CZ  . ARG C 24  ? 0.801 0.893 0.924 0.099  0.019  0.059  23  ARG AAA CZ  
3864 N NH1 . ARG C 24  ? 0.823 0.866 0.923 0.102  0.027  0.059  23  ARG AAA NH1 
3865 N NH2 . ARG C 24  ? 0.788 0.910 0.925 0.105  0.009  0.077  23  ARG AAA NH2 
3866 N N   . ASN C 25  ? 0.598 0.731 0.688 0.047  0.017  0.019  24  ASN AAA N   
3867 C CA  . ASN C 25  ? 0.628 0.764 0.702 0.042  0.012  0.011  24  ASN AAA CA  
3868 C C   . ASN C 25  ? 0.647 0.773 0.711 0.042  0.026  0.003  24  ASN AAA C   
3869 O O   . ASN C 25  ? 0.647 0.774 0.708 0.038  0.023  -0.006 24  ASN AAA O   
3870 C CB  . ASN C 25  ? 0.668 0.791 0.704 0.036  0.002  0.017  24  ASN AAA CB  
3871 C CG  . ASN C 25  ? 0.666 0.809 0.721 0.037  -0.016 0.031  24  ASN AAA CG  
3872 O OD1 . ASN C 25  ? 0.668 0.831 0.762 0.046  -0.015 0.035  24  ASN AAA OD1 
3873 N ND2 . ASN C 25  ? 0.696 0.828 0.717 0.029  -0.029 0.042  24  ASN AAA ND2 
3874 N N   . GLN C 26  ? 0.658 0.778 0.721 0.047  0.042  0.011  25  GLN AAA N   
3875 C CA  . GLN C 26  ? 0.676 0.793 0.740 0.053  0.061  0.012  25  GLN AAA CA  
3876 C C   . GLN C 26  ? 0.607 0.744 0.710 0.050  0.053  0.010  25  GLN AAA C   
3877 O O   . GLN C 26  ? 0.585 0.719 0.683 0.052  0.058  0.004  25  GLN AAA O   
3878 C CB  . GLN C 26  ? 0.731 0.846 0.797 0.062  0.083  0.031  25  GLN AAA CB  
3879 C CG  . GLN C 26  ? 0.795 0.896 0.846 0.078  0.113  0.038  25  GLN AAA CG  
3880 C CD  . GLN C 26  ? 0.801 0.938 0.910 0.080  0.115  0.050  25  GLN AAA CD  
3881 O OE1 . GLN C 26  ? 0.764 0.932 0.919 0.068  0.097  0.059  25  GLN AAA OE1 
3882 N NE2 . GLN C 26  ? 0.819 0.944 0.918 0.094  0.135  0.052  25  GLN AAA NE2 
3883 N N   . THR C 27  ? 0.571 0.719 0.699 0.043  0.041  0.013  26  THR AAA N   
3884 C CA  . THR C 27  ? 0.545 0.697 0.690 0.037  0.030  0.010  26  THR AAA CA  
3885 C C   . THR C 27  ? 0.549 0.694 0.680 0.038  0.026  -0.007 26  THR AAA C   
3886 O O   . THR C 27  ? 0.530 0.676 0.664 0.037  0.026  -0.010 26  THR AAA O   
3887 C CB  . THR C 27  ? 0.552 0.691 0.702 0.027  0.017  0.015  26  THR AAA CB  
3888 O OG1 . THR C 27  ? 0.562 0.714 0.733 0.021  0.020  0.035  26  THR AAA OG1 
3889 C CG2 . THR C 27  ? 0.547 0.669 0.691 0.017  0.003  0.009  26  THR AAA CG2 
3890 N N   . TRP C 28  ? 0.540 0.684 0.660 0.041  0.024  -0.012 27  TRP AAA N   
3891 C CA  . TRP C 28  ? 0.513 0.660 0.631 0.041  0.021  -0.020 27  TRP AAA CA  
3892 C C   . TRP C 28  ? 0.530 0.675 0.634 0.037  0.024  -0.025 27  TRP AAA C   
3893 O O   . TRP C 28  ? 0.543 0.690 0.648 0.034  0.024  -0.031 27  TRP AAA O   
3894 C CB  . TRP C 28  ? 0.502 0.660 0.628 0.045  0.016  -0.014 27  TRP AAA CB  
3895 C CG  . TRP C 28  ? 0.507 0.655 0.640 0.055  0.021  -0.012 27  TRP AAA CG  
3896 C CD1 . TRP C 28  ? 0.523 0.655 0.653 0.061  0.022  -0.005 27  TRP AAA CD1 
3897 C CD2 . TRP C 28  ? 0.502 0.637 0.632 0.061  0.029  -0.017 27  TRP AAA CD2 
3898 N NE1 . TRP C 28  ? 0.549 0.653 0.668 0.071  0.031  -0.007 27  TRP AAA NE1 
3899 C CE2 . TRP C 28  ? 0.538 0.641 0.654 0.071  0.036  -0.014 27  TRP AAA CE2 
3900 C CE3 . TRP C 28  ? 0.496 0.634 0.626 0.058  0.033  -0.023 27  TRP AAA CE3 
3901 C CZ2 . TRP C 28  ? 0.564 0.633 0.657 0.081  0.050  -0.019 27  TRP AAA CZ2 
3902 C CZ3 . TRP C 28  ? 0.499 0.613 0.614 0.067  0.045  -0.026 27  TRP AAA CZ3 
3903 C CH2 . TRP C 28  ? 0.548 0.624 0.641 0.079  0.054  -0.025 27  TRP AAA CH2 
3904 N N   . LEU C 29  ? 0.564 0.696 0.644 0.036  0.029  -0.023 28  LEU AAA N   
3905 C CA  . LEU C 29  ? 0.614 0.722 0.661 0.034  0.037  -0.029 28  LEU AAA CA  
3906 C C   . LEU C 29  ? 0.590 0.699 0.651 0.041  0.048  -0.029 28  LEU AAA C   
3907 O O   . LEU C 29  ? 0.599 0.694 0.645 0.038  0.049  -0.036 28  LEU AAA O   
3908 C CB  . LEU C 29  ? 0.667 0.746 0.674 0.038  0.048  -0.024 28  LEU AAA CB  
3909 C CG  . LEU C 29  ? 0.747 0.776 0.695 0.037  0.060  -0.031 28  LEU AAA CG  
3910 C CD1 . LEU C 29  ? 0.855 0.839 0.738 0.031  0.060  -0.031 28  LEU AAA CD1 
3911 C CD2 . LEU C 29  ? 0.787 0.807 0.741 0.058  0.089  -0.025 28  LEU AAA CD2 
3912 N N   . GLU C 30  ? 0.579 0.705 0.670 0.048  0.052  -0.019 29  GLU AAA N   
3913 C CA  . GLU C 30  ? 0.597 0.732 0.709 0.053  0.057  -0.011 29  GLU AAA CA  
3914 C C   . GLU C 30  ? 0.553 0.690 0.671 0.045  0.043  -0.020 29  GLU AAA C   
3915 O O   . GLU C 30  ? 0.540 0.671 0.653 0.047  0.046  -0.021 29  GLU AAA O   
3916 C CB  . GLU C 30  ? 0.621 0.780 0.769 0.056  0.059  0.010  29  GLU AAA CB  
3917 C CG  . GLU C 30  ? 0.720 0.873 0.861 0.071  0.085  0.024  29  GLU AAA CG  
3918 C CD  . GLU C 30  ? 0.797 0.983 0.987 0.077  0.093  0.054  29  GLU AAA CD  
3919 O OE1 . GLU C 30  ? 0.829 1.038 1.050 0.060  0.070  0.062  29  GLU AAA OE1 
3920 O OE2 . GLU C 30  ? 0.852 1.040 1.048 0.097  0.124  0.074  29  GLU AAA OE2 
3921 N N   . LEU C 31  ? 0.504 0.644 0.625 0.039  0.031  -0.024 30  LEU AAA N   
3922 C CA  . LEU C 31  ? 0.501 0.632 0.616 0.035  0.024  -0.032 30  LEU AAA CA  
3923 C C   . LEU C 31  ? 0.495 0.623 0.600 0.035  0.031  -0.040 30  LEU AAA C   
3924 O O   . LEU C 31  ? 0.511 0.631 0.609 0.034  0.032  -0.042 30  LEU AAA O   
3925 C CB  . LEU C 31  ? 0.527 0.648 0.637 0.035  0.021  -0.034 30  LEU AAA CB  
3926 C CG  . LEU C 31  ? 0.530 0.639 0.639 0.028  0.010  -0.026 30  LEU AAA CG  
3927 C CD1 . LEU C 31  ? 0.567 0.655 0.662 0.032  0.012  -0.029 30  LEU AAA CD1 
3928 C CD2 . LEU C 31  ? 0.562 0.654 0.659 0.017  -0.003 -0.023 30  LEU AAA CD2 
3929 N N   . VAL C 32  ? 0.478 0.613 0.581 0.033  0.032  -0.041 31  VAL AAA N   
3930 C CA  . VAL C 32  ? 0.511 0.646 0.608 0.026  0.031  -0.044 31  VAL AAA CA  
3931 C C   . VAL C 32  ? 0.536 0.650 0.611 0.023  0.037  -0.048 31  VAL AAA C   
3932 O O   . VAL C 32  ? 0.547 0.654 0.617 0.018  0.039  -0.051 31  VAL AAA O   
3933 C CB  . VAL C 32  ? 0.528 0.676 0.628 0.017  0.022  -0.039 31  VAL AAA CB  
3934 C CG1 . VAL C 32  ? 0.562 0.709 0.655 0.000  0.015  -0.037 31  VAL AAA CG1 
3935 C CG2 . VAL C 32  ? 0.493 0.664 0.621 0.026  0.022  -0.030 31  VAL AAA CG2 
3936 N N   . GLY C 33  ? 0.568 0.666 0.627 0.029  0.044  -0.047 32  GLY AAA N   
3937 C CA  . GLY C 33  ? 0.591 0.659 0.625 0.035  0.057  -0.047 32  GLY AAA CA  
3938 C C   . GLY C 33  ? 0.578 0.653 0.629 0.042  0.059  -0.043 32  GLY AAA C   
3939 O O   . GLY C 33  ? 0.601 0.653 0.632 0.040  0.065  -0.046 32  GLY AAA O   
3940 N N   . GLU C 34  ? 0.543 0.643 0.623 0.045  0.052  -0.035 33  GLU AAA N   
3941 C CA  . GLU C 34  ? 0.563 0.667 0.654 0.047  0.047  -0.028 33  GLU AAA CA  
3942 C C   . GLU C 34  ? 0.549 0.642 0.624 0.038  0.043  -0.038 33  GLU AAA C   
3943 O O   . GLU C 34  ? 0.551 0.633 0.617 0.040  0.044  -0.036 33  GLU AAA O   
3944 C CB  . GLU C 34  ? 0.587 0.711 0.703 0.044  0.033  -0.015 33  GLU AAA CB  
3945 C CG  . GLU C 34  ? 0.679 0.824 0.824 0.054  0.041  0.005  33  GLU AAA CG  
3946 C CD  . GLU C 34  ? 0.722 0.892 0.899 0.044  0.022  0.025  33  GLU AAA CD  
3947 O OE1 . GLU C 34  ? 0.780 0.948 0.955 0.031  0.000  0.029  33  GLU AAA OE1 
3948 O OE2 . GLU C 34  ? 0.751 0.939 0.951 0.047  0.028  0.036  33  GLU AAA OE2 
3949 N N   . ALA C 35  ? 0.548 0.646 0.623 0.033  0.041  -0.046 34  ALA AAA N   
3950 C CA  . ALA C 35  ? 0.548 0.641 0.614 0.029  0.046  -0.050 34  ALA AAA CA  
3951 C C   . ALA C 35  ? 0.569 0.653 0.627 0.022  0.051  -0.051 34  ALA AAA C   
3952 O O   . ALA C 35  ? 0.545 0.618 0.592 0.021  0.056  -0.051 34  ALA AAA O   
3953 C CB  . ALA C 35  ? 0.532 0.639 0.611 0.030  0.048  -0.050 34  ALA AAA CB  
3954 N N   . GLN C 36  ? 0.602 0.683 0.655 0.016  0.050  -0.053 35  GLN AAA N   
3955 C CA  . GLN C 36  ? 0.671 0.729 0.702 0.003  0.051  -0.055 35  GLN AAA CA  
3956 C C   . GLN C 36  ? 0.668 0.696 0.677 0.012  0.061  -0.054 35  GLN AAA C   
3957 O O   . GLN C 36  ? 0.727 0.737 0.722 0.004  0.064  -0.054 35  GLN AAA O   
3958 C CB  . GLN C 36  ? 0.750 0.790 0.757 -0.008 0.045  -0.057 35  GLN AAA CB  
3959 C CG  . GLN C 36  ? 0.779 0.850 0.808 -0.023 0.030  -0.051 35  GLN AAA CG  
3960 C CD  . GLN C 36  ? 0.863 0.911 0.859 -0.034 0.019  -0.053 35  GLN AAA CD  
3961 O OE1 . GLN C 36  ? 0.905 0.912 0.861 -0.024 0.029  -0.060 35  GLN AAA OE1 
3962 N NE2 . GLN C 36  ? 0.869 0.942 0.882 -0.053 -0.001 -0.043 35  GLN AAA NE2 
3963 N N   . GLN C 37  ? 0.653 0.679 0.665 0.029  0.066  -0.050 36  GLN AAA N   
3964 C CA  . GLN C 37  ? 0.687 0.694 0.691 0.044  0.076  -0.041 36  GLN AAA CA  
3965 C C   . GLN C 37  ? 0.670 0.683 0.679 0.041  0.070  -0.038 36  GLN AAA C   
3966 O O   . GLN C 37  ? 0.688 0.674 0.676 0.039  0.077  -0.038 36  GLN AAA O   
3967 C CB  . GLN C 37  ? 0.674 0.702 0.705 0.062  0.079  -0.027 36  GLN AAA CB  
3968 C CG  . GLN C 37  ? 0.707 0.734 0.749 0.080  0.088  -0.007 36  GLN AAA CG  
3969 C CD  . GLN C 37  ? 0.809 0.790 0.818 0.097  0.115  -0.004 36  GLN AAA CD  
3970 O OE1 . GLN C 37  ? 0.901 0.854 0.882 0.101  0.128  -0.011 36  GLN AAA OE1 
3971 N NE2 . GLN C 37  ? 0.840 0.803 0.843 0.110  0.124  0.008  36  GLN AAA NE2 
3972 N N   . LEU C 38  ? 0.627 0.664 0.653 0.039  0.058  -0.036 37  LEU AAA N   
3973 C CA  . LEU C 38  ? 0.640 0.671 0.655 0.037  0.052  -0.033 37  LEU AAA CA  
3974 C C   . LEU C 38  ? 0.666 0.681 0.662 0.028  0.062  -0.040 37  LEU AAA C   
3975 O O   . LEU C 38  ? 0.707 0.702 0.684 0.029  0.065  -0.035 37  LEU AAA O   
3976 C CB  . LEU C 38  ? 0.620 0.660 0.636 0.033  0.038  -0.033 37  LEU AAA CB  
3977 C CG  . LEU C 38  ? 0.611 0.669 0.650 0.035  0.022  -0.019 37  LEU AAA CG  
3978 C CD1 . LEU C 38  ? 0.633 0.680 0.655 0.023  0.004  -0.020 37  LEU AAA CD1 
3979 C CD2 . LEU C 38  ? 0.625 0.687 0.674 0.041  0.017  0.002  37  LEU AAA CD2 
3980 N N   . MET C 39  ? 0.645 0.674 0.653 0.020  0.067  -0.046 38  MET AAA N   
3981 C CA  . MET C 39  ? 0.683 0.711 0.690 0.009  0.077  -0.044 38  MET AAA CA  
3982 C C   . MET C 39  ? 0.726 0.729 0.716 -0.000 0.079  -0.043 38  MET AAA C   
3983 O O   . MET C 39  ? 0.753 0.742 0.731 -0.006 0.088  -0.038 38  MET AAA O   
3984 C CB  . MET C 39  ? 0.644 0.704 0.681 0.002  0.077  -0.042 38  MET AAA CB  
3985 C CG  . MET C 39  ? 0.647 0.721 0.693 0.015  0.082  -0.041 38  MET AAA CG  
3986 S SD  . MET C 39  ? 0.671 0.787 0.760 0.012  0.080  -0.033 38  MET AAA SD  
3987 C CE  . MET C 39  ? 0.670 0.815 0.791 -0.001 0.092  -0.013 38  MET AAA CE  
3988 N N   . GLY C 40  ? 0.765 0.751 0.744 -0.001 0.076  -0.047 39  GLY AAA N   
3989 C CA  . GLY C 40  ? 0.795 0.734 0.739 -0.007 0.081  -0.048 39  GLY AAA CA  
3990 C C   . GLY C 40  ? 0.812 0.726 0.739 0.008  0.090  -0.041 39  GLY AAA C   
3991 O O   . GLY C 40  ? 0.849 0.727 0.750 -0.002 0.096  -0.040 39  GLY AAA O   
3992 N N   . GLU C 41  ? 0.801 0.734 0.744 0.027  0.088  -0.035 40  GLU AAA N   
3993 C CA  . GLU C 41  ? 0.844 0.764 0.778 0.040  0.089  -0.022 40  GLU AAA CA  
3994 C C   . GLU C 41  ? 0.858 0.777 0.781 0.031  0.087  -0.021 40  GLU AAA C   
3995 O O   . GLU C 41  ? 0.866 0.770 0.775 0.038  0.085  -0.010 40  GLU AAA O   
3996 C CB  . GLU C 41  ? 0.815 0.763 0.776 0.057  0.079  -0.008 40  GLU AAA CB  
3997 C CG  . GLU C 41  ? 0.838 0.789 0.814 0.074  0.088  -0.001 40  GLU AAA CG  
3998 C CD  . GLU C 41  ? 0.837 0.829 0.855 0.086  0.076  0.021  40  GLU AAA CD  
3999 O OE1 . GLU C 41  ? 0.856 0.862 0.881 0.082  0.058  0.033  40  GLU AAA OE1 
4000 O OE2 . GLU C 41  ? 0.818 0.827 0.859 0.098  0.085  0.028  40  GLU AAA OE2 
4001 N N   . ARG C 42  ? 0.883 0.820 0.815 0.018  0.089  -0.029 41  ARG AAA N   
4002 C CA  . ARG C 42  ? 0.950 0.885 0.868 0.014  0.095  -0.026 41  ARG AAA CA  
4003 C C   . ARG C 42  ? 0.929 0.856 0.827 0.024  0.082  -0.022 41  ARG AAA C   
4004 O O   . ARG C 42  ? 0.968 0.868 0.831 0.025  0.083  -0.016 41  ARG AAA O   
4005 C CB  . ARG C 42  ? 1.026 0.933 0.923 0.007  0.107  -0.019 41  ARG AAA CB  
4006 C CG  . ARG C 42  ? 1.091 0.992 0.996 -0.011 0.112  -0.020 41  ARG AAA CG  
4007 C CD  . ARG C 42  ? 1.233 1.103 1.115 -0.021 0.123  -0.011 41  ARG AAA CD  
4008 N NE  . ARG C 42  ? 1.311 1.167 1.194 -0.046 0.122  -0.010 41  ARG AAA NE  
4009 C CZ  . ARG C 42  ? 1.341 1.230 1.257 -0.069 0.120  -0.003 41  ARG AAA CZ  
4010 N NH1 . ARG C 42  ? 1.325 1.264 1.279 -0.063 0.127  0.002  41  ARG AAA NH1 
4011 N NH2 . ARG C 42  ? 1.376 1.242 1.283 -0.100 0.111  -0.000 41  ARG AAA NH2 
4012 N N   . CYS C 43  ? 0.959 0.801 0.908 -0.022 0.033  0.020  42  CYS AAA N   
4013 C CA  . CYS C 43  ? 0.916 0.794 0.887 0.004  0.025  0.032  42  CYS AAA CA  
4014 C C   . CYS C 43  ? 0.858 0.780 0.840 -0.017 0.028  0.035  42  CYS AAA C   
4015 O O   . CYS C 43  ? 0.840 0.807 0.843 -0.034 0.033  0.022  42  CYS AAA O   
4016 C CB  . CYS C 43  ? 0.856 0.784 0.868 0.030  0.023  0.024  42  CYS AAA CB  
4017 S SG  . CYS C 43  ? 0.859 0.831 0.899 0.055  0.012  0.037  42  CYS AAA SG  
4018 N N   . PRO C 44  ? 0.848 0.759 0.810 -0.014 0.023  0.051  43  PRO AAA N   
4019 C CA  . PRO C 44  ? 0.810 0.764 0.778 -0.028 0.025  0.051  43  PRO AAA CA  
4020 C C   . PRO C 44  ? 0.716 0.732 0.728 -0.013 0.018  0.041  43  PRO AAA C   
4021 O O   . PRO C 44  ? 0.670 0.692 0.702 0.009  0.010  0.042  43  PRO AAA O   
4022 C CB  . PRO C 44  ? 0.841 0.763 0.774 -0.019 0.018  0.071  43  PRO AAA CB  
4023 C CG  . PRO C 44  ? 0.913 0.759 0.809 -0.007 0.015  0.082  43  PRO AAA CG  
4024 C CD  . PRO C 44  ? 0.903 0.757 0.830 0.008  0.015  0.068  43  PRO AAA CD  
4025 N N   . ALA C 45  ? 0.658 0.716 0.679 -0.025 0.022  0.031  44  ALA AAA N   
4026 C CA  . ALA C 45  ? 0.606 0.707 0.655 -0.013 0.015  0.020  44  ALA AAA CA  
4027 C C   . ALA C 45  ? 0.594 0.695 0.647 0.005  -0.000 0.029  44  ALA AAA C   
4028 O O   . ALA C 45  ? 0.579 0.699 0.654 0.014  -0.008 0.023  44  ALA AAA O   
4029 C CB  . ALA C 45  ? 0.572 0.712 0.621 -0.024 0.021  0.007  44  ALA AAA CB  
4030 N N   . ASP C 46  ? 0.629 0.708 0.659 0.008  -0.006 0.043  45  ASP AAA N   
4031 C CA  . ASP C 46  ? 0.659 0.747 0.694 0.023  -0.023 0.049  45  ASP AAA CA  
4032 C C   . ASP C 46  ? 0.666 0.747 0.716 0.041  -0.031 0.059  45  ASP AAA C   
4033 O O   . ASP C 46  ? 0.686 0.784 0.745 0.051  -0.047 0.063  45  ASP AAA O   
4034 C CB  . ASP C 46  ? 0.708 0.786 0.707 0.021  -0.028 0.056  45  ASP AAA CB  
4035 C CG  . ASP C 46  ? 0.779 0.814 0.739 0.019  -0.023 0.073  45  ASP AAA CG  
4036 O OD1 . ASP C 46  ? 0.830 0.836 0.788 0.018  -0.015 0.076  45  ASP AAA OD1 
4037 O OD2 . ASP C 46  ? 0.819 0.843 0.743 0.019  -0.027 0.081  45  ASP AAA OD2 
4038 N N   A GLU C 47  ? 0.690 0.753 0.744 0.045  -0.022 0.059  46  GLU AAA N   
4039 N N   B GLU C 47  ? 0.691 0.752 0.744 0.045  -0.022 0.059  46  GLU AAA N   
4040 C CA  A GLU C 47  ? 0.718 0.782 0.788 0.068  -0.027 0.064  46  GLU AAA CA  
4041 C CA  B GLU C 47  ? 0.717 0.782 0.787 0.068  -0.028 0.064  46  GLU AAA CA  
4042 C C   A GLU C 47  ? 0.656 0.770 0.769 0.069  -0.031 0.058  46  GLU AAA C   
4043 C C   B GLU C 47  ? 0.655 0.769 0.768 0.069  -0.031 0.058  46  GLU AAA C   
4044 O O   A GLU C 47  ? 0.625 0.751 0.749 0.055  -0.025 0.049  46  GLU AAA O   
4045 O O   B GLU C 47  ? 0.621 0.747 0.743 0.054  -0.025 0.049  46  GLU AAA O   
4046 C CB  A GLU C 47  ? 0.776 0.804 0.834 0.071  -0.014 0.061  46  GLU AAA CB  
4047 C CB  B GLU C 47  ? 0.780 0.806 0.836 0.075  -0.016 0.063  46  GLU AAA CB  
4048 C CG  A GLU C 47  ? 0.847 0.850 0.895 0.101  -0.019 0.068  46  GLU AAA CG  
4049 C CG  B GLU C 47  ? 0.848 0.851 0.893 0.106  -0.023 0.071  46  GLU AAA CG  
4050 C CD  A GLU C 47  ? 0.911 0.870 0.917 0.115  -0.030 0.082  46  GLU AAA CD  
4051 C CD  B GLU C 47  ? 0.845 0.873 0.918 0.130  -0.020 0.065  46  GLU AAA CD  
4052 O OE1 A GLU C 47  ? 0.929 0.870 0.908 0.095  -0.031 0.089  46  GLU AAA OE1 
4053 O OE1 B GLU C 47  ? 0.885 0.870 0.937 0.140  -0.013 0.060  46  GLU AAA OE1 
4054 O OE2 A GLU C 47  ? 0.965 0.909 0.963 0.149  -0.038 0.087  46  GLU AAA OE2 
4055 O OE2 B GLU C 47  ? 0.811 0.902 0.926 0.137  -0.025 0.064  46  GLU AAA OE2 
4056 N N   . PRO C 48  ? 0.640 0.787 0.778 0.084  -0.042 0.064  47  PRO AAA N   
4057 C CA  . PRO C 48  ? 0.595 0.791 0.772 0.077  -0.045 0.060  47  PRO AAA CA  
4058 C C   . PRO C 48  ? 0.546 0.745 0.734 0.072  -0.028 0.054  47  PRO AAA C   
4059 O O   . PRO C 48  ? 0.535 0.751 0.736 0.055  -0.028 0.051  47  PRO AAA O   
4060 C CB  . PRO C 48  ? 0.604 0.841 0.807 0.099  -0.054 0.067  47  PRO AAA CB  
4061 C CG  . PRO C 48  ? 0.647 0.854 0.818 0.116  -0.067 0.074  47  PRO AAA CG  
4062 C CD  . PRO C 48  ? 0.686 0.828 0.813 0.109  -0.055 0.074  47  PRO AAA CD  
4063 N N   . ARG C 49  ? 0.544 0.722 0.723 0.086  -0.016 0.052  48  ARG AAA N   
4064 C CA  . ARG C 49  ? 0.549 0.729 0.732 0.085  -0.001 0.044  48  ARG AAA CA  
4065 C C   . ARG C 49  ? 0.532 0.692 0.700 0.065  0.002  0.036  48  ARG AAA C   
4066 O O   . ARG C 49  ? 0.520 0.692 0.694 0.059  0.007  0.032  48  ARG AAA O   
4067 C CB  . ARG C 49  ? 0.579 0.728 0.744 0.106  0.007  0.040  48  ARG AAA CB  
4068 C CG  . ARG C 49  ? 0.630 0.810 0.814 0.136  0.008  0.043  48  ARG AAA CG  
4069 C CD  . ARG C 49  ? 0.689 0.824 0.844 0.161  0.015  0.036  48  ARG AAA CD  
4070 N NE  . ARG C 49  ? 0.761 0.827 0.873 0.158  0.009  0.038  48  ARG AAA NE  
4071 C CZ  . ARG C 49  ? 0.816 0.817 0.889 0.162  0.013  0.031  48  ARG AAA CZ  
4072 N NH1 . ARG C 49  ? 0.824 0.821 0.894 0.174  0.022  0.019  48  ARG AAA NH1 
4073 N NH2 . ARG C 49  ? 0.843 0.781 0.876 0.151  0.008  0.036  48  ARG AAA NH2 
4074 N N   . ALA C 50  ? 0.513 0.646 0.658 0.056  -0.001 0.034  49  ALA AAA N   
4075 C CA  . ALA C 50  ? 0.515 0.643 0.648 0.041  0.002  0.023  49  ALA AAA CA  
4076 C C   . ALA C 50  ? 0.479 0.624 0.619 0.035  -0.007 0.022  49  ALA AAA C   
4077 O O   . ALA C 50  ? 0.480 0.628 0.618 0.032  -0.006 0.014  49  ALA AAA O   
4078 C CB  . ALA C 50  ? 0.547 0.653 0.657 0.031  0.003  0.023  49  ALA AAA CB  
4079 N N   . ILE C 51  ? 0.494 0.647 0.639 0.034  -0.019 0.029  50  ILE AAA N   
4080 C CA  . ILE C 51  ? 0.495 0.653 0.639 0.026  -0.031 0.028  50  ILE AAA CA  
4081 C C   . ILE C 51  ? 0.494 0.662 0.653 0.020  -0.030 0.031  50  ILE AAA C   
4082 O O   . ILE C 51  ? 0.502 0.655 0.648 0.015  -0.034 0.026  50  ILE AAA O   
4083 C CB  . ILE C 51  ? 0.516 0.681 0.660 0.025  -0.045 0.034  50  ILE AAA CB  
4084 C CG1 . ILE C 51  ? 0.538 0.688 0.654 0.027  -0.045 0.031  50  ILE AAA CG1 
4085 C CG2 . ILE C 51  ? 0.520 0.690 0.667 0.013  -0.061 0.033  50  ILE AAA CG2 
4086 C CD1 . ILE C 51  ? 0.559 0.710 0.665 0.031  -0.059 0.039  50  ILE AAA CD1 
4087 N N   . ALA C 52  ? 0.466 0.659 0.650 0.024  -0.024 0.039  51  ALA AAA N   
4088 C CA  . ALA C 52  ? 0.467 0.677 0.665 0.015  -0.019 0.045  51  ALA AAA CA  
4089 C C   . ALA C 52  ? 0.470 0.659 0.649 0.018  -0.008 0.039  51  ALA AAA C   
4090 O O   . ALA C 52  ? 0.471 0.647 0.638 0.006  -0.010 0.042  51  ALA AAA O   
4091 C CB  . ALA C 52  ? 0.441 0.693 0.670 0.024  -0.012 0.052  51  ALA AAA CB  
4092 N N   . LEU C 53  ? 0.464 0.644 0.635 0.032  0.001  0.032  52  LEU AAA N   
4093 C CA  . LEU C 53  ? 0.479 0.645 0.633 0.036  0.008  0.023  52  LEU AAA CA  
4094 C C   . LEU C 53  ? 0.474 0.620 0.606 0.033  -0.002 0.016  52  LEU AAA C   
4095 O O   . LEU C 53  ? 0.476 0.608 0.591 0.033  -0.003 0.017  52  LEU AAA O   
4096 C CB  . LEU C 53  ? 0.475 0.634 0.623 0.046  0.016  0.014  52  LEU AAA CB  
4097 C CG  . LEU C 53  ? 0.492 0.642 0.623 0.050  0.019  0.002  52  LEU AAA CG  
4098 C CD1 . LEU C 53  ? 0.521 0.678 0.649 0.056  0.028  0.007  52  LEU AAA CD1 
4099 C CD2 . LEU C 53  ? 0.488 0.628 0.613 0.051  0.023  -0.010 52  LEU AAA CD2 
4100 N N   . ALA C 54  ? 0.442 0.584 0.569 0.033  -0.010 0.009  53  ALA AAA N   
4101 C CA  . ALA C 54  ? 0.467 0.598 0.574 0.037  -0.019 -0.002 53  ALA AAA CA  
4102 C C   . ALA C 54  ? 0.522 0.627 0.612 0.033  -0.030 0.003  53  ALA AAA C   
4103 O O   . ALA C 54  ? 0.569 0.653 0.633 0.043  -0.036 -0.004 53  ALA AAA O   
4104 C CB  . ALA C 54  ? 0.469 0.608 0.574 0.036  -0.023 -0.008 53  ALA AAA CB  
4105 N N   . THR C 55  ? 0.545 0.651 0.647 0.018  -0.034 0.015  54  THR AAA N   
4106 C CA  . THR C 55  ? 0.594 0.670 0.678 0.004  -0.046 0.021  54  THR AAA CA  
4107 C C   . THR C 55  ? 0.629 0.688 0.698 0.001  -0.039 0.029  54  THR AAA C   
4108 O O   . THR C 55  ? 0.660 0.672 0.690 0.004  -0.049 0.027  54  THR AAA O   
4109 C CB  . THR C 55  ? 0.615 0.709 0.723 -0.016 -0.052 0.031  54  THR AAA CB  
4110 O OG1 . THR C 55  ? 0.648 0.749 0.756 -0.008 -0.061 0.023  54  THR AAA OG1 
4111 C CG2 . THR C 55  ? 0.667 0.731 0.758 -0.040 -0.064 0.037  54  THR AAA CG2 
4112 N N   . ARG C 56  ? 0.627 0.717 0.720 -0.002 -0.022 0.038  55  ARG AAA N   
4113 C CA  . ARG C 56  ? 0.659 0.739 0.735 -0.005 -0.011 0.047  55  ARG AAA CA  
4114 C C   . ARG C 56  ? 0.655 0.706 0.695 0.018  -0.015 0.035  55  ARG AAA C   
4115 O O   . ARG C 56  ? 0.687 0.696 0.687 0.018  -0.020 0.041  55  ARG AAA O   
4116 C CB  . ARG C 56  ? 0.670 0.797 0.776 -0.003 0.008  0.052  55  ARG AAA CB  
4117 C CG  . ARG C 56  ? 0.722 0.885 0.856 -0.025 0.016  0.068  55  ARG AAA CG  
4118 C CD  . ARG C 56  ? 0.760 0.968 0.914 -0.015 0.037  0.071  55  ARG AAA CD  
4119 N NE  . ARG C 56  ? 0.732 0.957 0.905 0.010  0.038  0.059  55  ARG AAA NE  
4120 C CZ  . ARG C 56  ? 0.739 0.964 0.904 0.031  0.049  0.050  55  ARG AAA CZ  
4121 N NH1 . ARG C 56  ? 0.756 0.972 0.896 0.035  0.059  0.051  55  ARG AAA NH1 
4122 N NH2 . ARG C 56  ? 0.739 0.966 0.914 0.048  0.047  0.041  55  ARG AAA NH2 
4123 N N   . TRP C 57  ? 0.586 0.721 0.593 0.067  -0.005 0.018  56  TRP AAA N   
4124 C CA  . TRP C 57  ? 0.565 0.666 0.546 0.063  0.008  0.025  56  TRP AAA CA  
4125 C C   . TRP C 57  ? 0.590 0.670 0.577 0.056  -0.005 0.016  56  TRP AAA C   
4126 O O   . TRP C 57  ? 0.569 0.636 0.567 0.043  0.002  0.028  56  TRP AAA O   
4127 C CB  . TRP C 57  ? 0.565 0.655 0.516 0.083  0.021  0.030  56  TRP AAA CB  
4128 C CG  . TRP C 57  ? 0.567 0.635 0.511 0.076  0.030  0.036  56  TRP AAA CG  
4129 C CD1 . TRP C 57  ? 0.572 0.631 0.513 0.075  0.026  0.037  56  TRP AAA CD1 
4130 C CD2 . TRP C 57  ? 0.565 0.620 0.512 0.072  0.042  0.040  56  TRP AAA CD2 
4131 N NE1 . TRP C 57  ? 0.587 0.641 0.535 0.069  0.035  0.046  56  TRP AAA NE1 
4132 C CE2 . TRP C 57  ? 0.577 0.627 0.533 0.064  0.042  0.043  56  TRP AAA CE2 
4133 C CE3 . TRP C 57  ? 0.580 0.627 0.529 0.075  0.052  0.037  56  TRP AAA CE3 
4134 C CZ2 . TRP C 57  ? 0.587 0.629 0.562 0.052  0.044  0.040  56  TRP AAA CZ2 
4135 C CZ3 . TRP C 57  ? 0.598 0.623 0.559 0.066  0.055  0.029  56  TRP AAA CZ3 
4136 C CH2 . TRP C 57  ? 0.601 0.626 0.579 0.052  0.048  0.028  56  TRP AAA CH2 
4137 N N   . MET C 58  ? 0.602 0.678 0.575 0.072  -0.023 -0.005 57  MET AAA N   
4138 C CA  . MET C 58  ? 0.643 0.687 0.609 0.076  -0.034 -0.020 57  MET AAA CA  
4139 C C   . MET C 58  ? 0.678 0.707 0.699 0.049  -0.047 -0.028 57  MET AAA C   
4140 O O   . MET C 58  ? 0.710 0.705 0.738 0.045  -0.041 -0.022 57  MET AAA O   
4141 C CB  . MET C 58  ? 0.665 0.713 0.591 0.111  -0.052 -0.047 57  MET AAA CB  
4142 C CG  . MET C 58  ? 0.658 0.718 0.538 0.144  -0.028 -0.025 57  MET AAA CG  
4143 S SD  . MET C 58  ? 0.665 0.706 0.547 0.137  0.001  0.008  57  MET AAA SD  
4144 C CE  . MET C 58  ? 0.689 0.700 0.549 0.157  -0.009 -0.011 57  MET AAA CE  
4145 N N   . GLU C 59  ? 0.673 0.730 0.744 0.031  -0.060 -0.034 58  GLU AAA N   
4146 C CA  . GLU C 59  ? 0.710 0.758 0.863 -0.001 -0.065 -0.029 58  GLU AAA CA  
4147 C C   . GLU C 59  ? 0.684 0.726 0.848 -0.010 -0.029 0.018  58  GLU AAA C   
4148 O O   . GLU C 59  ? 0.688 0.698 0.895 -0.024 -0.022 0.032  58  GLU AAA O   
4149 C CB  . GLU C 59  ? 0.711 0.810 0.929 -0.018 -0.081 -0.035 58  GLU AAA CB  
4150 C CG  . GLU C 59  ? 0.778 0.885 1.010 -0.013 -0.129 -0.089 58  GLU AAA CG  
4151 C CD  . GLU C 59  ? 0.821 0.989 1.143 -0.035 -0.153 -0.096 58  GLU AAA CD  
4152 O OE1 . GLU C 59  ? 0.816 1.042 1.125 -0.021 -0.142 -0.076 58  GLU AAA OE1 
4153 O OE2 . GLU C 59  ? 0.888 1.046 1.302 -0.067 -0.181 -0.120 58  GLU AAA OE2 
4154 N N   . GLN C 60  ? 0.636 0.707 0.760 0.001  -0.007 0.040  59  GLN AAA N   
4155 C CA  . GLN C 60  ? 0.623 0.700 0.738 0.004  0.022  0.078  59  GLN AAA CA  
4156 C C   . GLN C 60  ? 0.641 0.685 0.725 0.013  0.025  0.081  59  GLN AAA C   
4157 O O   . GLN C 60  ? 0.658 0.694 0.762 0.013  0.041  0.111  59  GLN AAA O   
4158 C CB  . GLN C 60  ? 0.599 0.706 0.670 0.019  0.034  0.082  59  GLN AAA CB  
4159 C CG  . GLN C 60  ? 0.622 0.748 0.673 0.031  0.057  0.111  59  GLN AAA CG  
4160 C CD  . GLN C 60  ? 0.636 0.789 0.741 0.028  0.078  0.149  59  GLN AAA CD  
4161 O OE1 . GLN C 60  ? 0.641 0.817 0.798 0.017  0.078  0.153  59  GLN AAA OE1 
4162 N NE2 . GLN C 60  ? 0.668 0.828 0.767 0.041  0.099  0.184  59  GLN AAA NE2 
4163 N N   . LEU C 61  ? 0.651 0.680 0.691 0.026  0.013  0.058  60  LEU AAA N   
4164 C CA  . LEU C 61  ? 0.663 0.673 0.676 0.039  0.017  0.063  60  LEU AAA CA  
4165 C C   . LEU C 61  ? 0.699 0.666 0.742 0.038  0.014  0.062  60  LEU AAA C   
4166 O O   . LEU C 61  ? 0.705 0.661 0.746 0.048  0.028  0.086  60  LEU AAA O   
4167 C CB  . LEU C 61  ? 0.667 0.677 0.644 0.055  0.010  0.044  60  LEU AAA CB  
4168 C CG  . LEU C 61  ? 0.681 0.703 0.639 0.067  0.019  0.058  60  LEU AAA CG  
4169 C CD1 . LEU C 61  ? 0.660 0.709 0.620 0.058  0.025  0.074  60  LEU AAA CD1 
4170 C CD2 . LEU C 61  ? 0.678 0.710 0.620 0.078  0.021  0.052  60  LEU AAA CD2 
4171 N N   . GLU C 62  ? 0.711 0.655 0.785 0.028  -0.005 0.034  61  GLU AAA N   
4172 C CA  . GLU C 62  ? 0.797 0.686 0.912 0.023  -0.015 0.019  61  GLU AAA CA  
4173 C C   . GLU C 62  ? 0.818 0.697 0.996 0.006  0.010  0.065  61  GLU AAA C   
4174 O O   . GLU C 62  ? 0.900 0.734 1.092 0.014  0.023  0.081  61  GLU AAA O   
4175 C CB  . GLU C 62  ? 0.832 0.713 0.975 0.011  -0.050 -0.030 61  GLU AAA CB  
4176 C CG  . GLU C 62  ? 0.937 0.757 1.072 0.026  -0.075 -0.077 61  GLU AAA CG  
4177 C CD  . GLU C 62  ? 0.980 0.804 1.128 0.024  -0.121 -0.138 61  GLU AAA CD  
4178 O OE1 . GLU C 62  ? 0.975 0.853 1.155 0.005  -0.132 -0.138 61  GLU AAA OE1 
4179 O OE2 . GLU C 62  ? 1.053 0.833 1.170 0.048  -0.147 -0.189 61  GLU AAA OE2 
4180 N N   . GLN C 63  ? 0.796 0.720 1.010 -0.011 0.022  0.091  62  GLN AAA N   
4181 C CA  . GLN C 63  ? 0.842 0.776 1.114 -0.019 0.055  0.149  62  GLN AAA CA  
4182 C C   . GLN C 63  ? 0.837 0.787 1.051 0.012  0.082  0.188  62  GLN AAA C   
4183 O O   . GLN C 63  ? 0.898 0.822 1.142 0.021  0.106  0.229  62  GLN AAA O   
4184 C CB  . GLN C 63  ? 0.822 0.815 1.128 -0.031 0.063  0.166  62  GLN AAA CB  
4185 C CG  . GLN C 63  ? 0.872 0.885 1.259 -0.038 0.101  0.231  62  GLN AAA CG  
4186 C CD  . GLN C 63  ? 0.876 0.959 1.278 -0.038 0.115  0.252  62  GLN AAA CD  
4187 O OE1 . GLN C 63  ? 0.884 0.988 1.375 -0.065 0.107  0.251  62  GLN AAA OE1 
4188 N NE2 . GLN C 63  ? 0.850 0.975 1.166 -0.005 0.131  0.266  62  GLN AAA NE2 
4189 N N   . ASP C 64  ? 0.778 0.768 0.916 0.029  0.076  0.176  63  ASP AAA N   
4190 C CA  . ASP C 64  ? 0.792 0.819 0.878 0.057  0.091  0.205  63  ASP AAA CA  
4191 C C   . ASP C 64  ? 0.793 0.797 0.854 0.076  0.088  0.205  63  ASP AAA C   
4192 O O   . ASP C 64  ? 0.782 0.824 0.809 0.101  0.096  0.230  63  ASP AAA O   
4193 C CB  . ASP C 64  ? 0.745 0.818 0.779 0.062  0.080  0.182  63  ASP AAA CB  
4194 C CG  . ASP C 64  ? 0.752 0.855 0.801 0.058  0.092  0.193  63  ASP AAA CG  
4195 O OD1 . ASP C 64  ? 0.778 0.882 0.883 0.053  0.113  0.230  63  ASP AAA OD1 
4196 O OD2 . ASP C 64  ? 0.715 0.841 0.727 0.061  0.082  0.169  63  ASP AAA OD2 
4197 N N   . THR C 65  ? 0.786 0.738 0.859 0.069  0.074  0.175  64  THR AAA N   
4198 C CA  . THR C 65  ? 0.810 0.732 0.867 0.093  0.076  0.178  64  THR AAA CA  
4199 C C   . THR C 65  ? 0.904 0.756 1.015 0.092  0.090  0.193  64  THR AAA C   
4200 O O   . THR C 65  ? 0.958 0.772 1.058 0.116  0.094  0.194  64  THR AAA O   
4201 C CB  . THR C 65  ? 0.792 0.704 0.814 0.099  0.056  0.136  64  THR AAA CB  
4202 O OG1 . THR C 65  ? 0.760 0.636 0.802 0.081  0.038  0.097  64  THR AAA OG1 
4203 C CG2 . THR C 65  ? 0.762 0.734 0.751 0.099  0.048  0.129  64  THR AAA CG2 
4204 N N   . ALA C 66  ? 0.922 0.759 1.099 0.067  0.098  0.208  65  ALA AAA N   
4205 C CA  . ALA C 66  ? 0.989 0.752 1.247 0.055  0.111  0.223  65  ALA AAA CA  
4206 C C   . ALA C 66  ? 1.028 0.715 1.290 0.052  0.081  0.160  65  ALA AAA C   
4207 O O   . ALA C 66  ? 1.095 0.707 1.395 0.061  0.092  0.166  65  ALA AAA O   
4208 C CB  . ALA C 66  ? 1.039 0.795 1.305 0.087  0.151  0.290  65  ALA AAA CB  
4209 N N   . GLY C 67  ? 1.005 0.710 1.224 0.047  0.047  0.102  66  GLY AAA N   
4210 C CA  . GLY C 67  ? 1.056 0.703 1.259 0.056  0.014  0.035  66  GLY AAA CA  
4211 C C   . GLY C 67  ? 1.084 0.698 1.224 0.102  0.025  0.034  66  GLY AAA C   
4212 O O   . GLY C 67  ? 1.164 0.712 1.293 0.119  0.005  -0.017 66  GLY AAA O   
4213 N N   . ARG C 68  ? 1.034 0.699 1.134 0.125  0.052  0.083  67  ARG AAA N   
4214 C CA  . ARG C 68  ? 1.066 0.721 1.117 0.172  0.066  0.094  67  ARG AAA CA  
4215 C C   . ARG C 68  ? 1.017 0.736 1.003 0.189  0.055  0.077  67  ARG AAA C   
4216 O O   . ARG C 68  ? 0.929 0.722 0.905 0.179  0.060  0.102  67  ARG AAA O   
4217 C CB  . ARG C 68  ? 1.086 0.768 1.150 0.188  0.099  0.163  67  ARG AAA CB  
4218 C CG  . ARG C 68  ? 1.175 0.792 1.311 0.178  0.120  0.195  67  ARG AAA CG  
4219 C CD  . ARG C 68  ? 1.242 0.856 1.378 0.218  0.157  0.259  67  ARG AAA CD  
4220 N NE  . ARG C 68  ? 1.356 0.878 1.572 0.212  0.180  0.283  67  ARG AAA NE  
4221 C CZ  . ARG C 68  ? 1.457 0.872 1.696 0.229  0.183  0.261  67  ARG AAA CZ  
4222 N NH1 . ARG C 68  ? 1.488 0.881 1.663 0.264  0.168  0.216  67  ARG AAA NH1 
4223 N NH2 . ARG C 68  ? 1.539 0.866 1.869 0.216  0.205  0.287  67  ARG AAA NH2 
4224 N N   . PRO C 69  ? 1.087 0.776 1.030 0.218  0.042  0.032  68  PRO AAA N   
4225 C CA  . PRO C 69  ? 1.045 0.794 0.936 0.238  0.039  0.025  68  PRO AAA CA  
4226 C C   . PRO C 69  ? 1.005 0.819 0.887 0.260  0.064  0.075  68  PRO AAA C   
4227 O O   . PRO C 69  ? 0.957 0.838 0.835 0.252  0.065  0.087  68  PRO AAA O   
4228 C CB  . PRO C 69  ? 1.151 0.850 0.992 0.282  0.026  -0.026 68  PRO AAA CB  
4229 C CG  . PRO C 69  ? 1.236 0.841 1.114 0.266  0.006  -0.066 68  PRO AAA CG  
4230 C CD  . PRO C 69  ? 1.192 0.786 1.134 0.239  0.029  -0.013 68  PRO AAA CD  
4231 N N   . GLU C 70  ? 1.023 0.820 0.911 0.287  0.083  0.103  69  GLU AAA N   
4232 C CA  . GLU C 70  ? 0.991 0.861 0.882 0.311  0.103  0.151  69  GLU AAA CA  
4233 C C   . GLU C 70  ? 0.910 0.856 0.833 0.273  0.097  0.179  69  GLU AAA C   
4234 O O   . GLU C 70  ? 0.874 0.900 0.809 0.279  0.100  0.203  69  GLU AAA O   
4235 C CB  . GLU C 70  ? 1.097 0.931 0.990 0.352  0.124  0.178  69  GLU AAA CB  
4236 C CG  . GLU C 70  ? 1.146 0.940 1.074 0.335  0.130  0.200  69  GLU AAA CG  
4237 C CD  . GLU C 70  ? 1.232 0.910 1.176 0.325  0.125  0.166  69  GLU AAA CD  
4238 O OE1 . GLU C 70  ? 1.244 0.887 1.177 0.307  0.101  0.111  69  GLU AAA OE1 
4239 O OE2 . GLU C 70  ? 1.354 0.981 1.330 0.336  0.145  0.196  69  GLU AAA OE2 
4240 N N   . PHE C 71  ? 0.842 0.769 0.782 0.237  0.088  0.174  70  PHE AAA N   
4241 C CA  . PHE C 71  ? 0.744 0.739 0.700 0.209  0.080  0.191  70  PHE AAA CA  
4242 C C   . PHE C 71  ? 0.666 0.693 0.619 0.184  0.066  0.164  70  PHE AAA C   
4243 O O   . PHE C 71  ? 0.633 0.720 0.598 0.168  0.057  0.171  70  PHE AAA O   
4244 C CB  . PHE C 71  ? 0.751 0.721 0.724 0.191  0.085  0.204  70  PHE AAA CB  
4245 C CG  . PHE C 71  ? 0.807 0.756 0.793 0.219  0.107  0.246  70  PHE AAA CG  
4246 C CD1 . PHE C 71  ? 0.831 0.804 0.807 0.259  0.118  0.272  70  PHE AAA CD1 
4247 C CD2 . PHE C 71  ? 0.826 0.738 0.840 0.209  0.122  0.269  70  PHE AAA CD2 
4248 C CE1 . PHE C 71  ? 0.870 0.823 0.856 0.292  0.142  0.318  70  PHE AAA CE1 
4249 C CE2 . PHE C 71  ? 0.878 0.768 0.911 0.240  0.150  0.319  70  PHE AAA CE2 
4250 C CZ  . PHE C 71  ? 0.912 0.819 0.926 0.283  0.160  0.342  70  PHE AAA CZ  
4251 N N   . LEU C 72  ? 0.597 0.708 0.706 0.184  -0.001 -0.025 71  LEU AAA N   
4252 C CA  . LEU C 72  ? 0.596 0.710 0.676 0.189  -0.022 -0.038 71  LEU AAA CA  
4253 C C   . LEU C 72  ? 0.599 0.699 0.658 0.190  -0.028 -0.027 71  LEU AAA C   
4254 O O   . LEU C 72  ? 0.618 0.718 0.653 0.194  -0.042 -0.023 71  LEU AAA O   
4255 C CB  . LEU C 72  ? 0.616 0.726 0.695 0.186  -0.029 -0.063 71  LEU AAA CB  
4256 C CG  . LEU C 72  ? 0.615 0.710 0.656 0.192  -0.063 -0.072 71  LEU AAA CG  
4257 C CD1 . LEU C 72  ? 0.618 0.733 0.677 0.205  -0.078 -0.080 71  LEU AAA CD1 
4258 C CD2 . LEU C 72  ? 0.653 0.737 0.683 0.186  -0.082 -0.093 71  LEU AAA CD2 
4259 N N   . THR C 73  ? 0.607 0.698 0.686 0.182  -0.012 -0.029 72  THR AAA N   
4260 C CA  . THR C 73  ? 0.618 0.701 0.693 0.176  -0.008 -0.031 72  THR AAA CA  
4261 C C   . THR C 73  ? 0.613 0.711 0.697 0.188  -0.022 -0.012 72  THR AAA C   
4262 O O   . THR C 73  ? 0.609 0.704 0.664 0.186  -0.029 -0.014 72  THR AAA O   
4263 C CB  . THR C 73  ? 0.620 0.701 0.744 0.164  0.018  -0.048 72  THR AAA CB  
4264 O OG1 . THR C 73  ? 0.630 0.695 0.722 0.146  0.029  -0.069 72  THR AAA OG1 
4265 C CG2 . THR C 73  ? 0.641 0.725 0.789 0.156  0.029  -0.061 72  THR AAA CG2 
4266 N N   A ARG C 74  ? 0.597 0.703 0.711 0.196  -0.026 0.008  73  ARG AAA N   
4267 N N   B ARG C 74  ? 0.610 0.716 0.725 0.197  -0.027 0.008  73  ARG AAA N   
4268 C CA  A ARG C 74  ? 0.601 0.715 0.715 0.203  -0.046 0.030  73  ARG AAA CA  
4269 C CA  B ARG C 74  ? 0.622 0.737 0.736 0.203  -0.047 0.029  73  ARG AAA CA  
4270 C C   A ARG C 74  ? 0.608 0.730 0.669 0.200  -0.054 0.030  73  ARG AAA C   
4271 C C   B ARG C 74  ? 0.621 0.743 0.681 0.200  -0.055 0.030  73  ARG AAA C   
4272 O O   A ARG C 74  ? 0.623 0.755 0.676 0.201  -0.065 0.032  73  ARG AAA O   
4273 O O   B ARG C 74  ? 0.638 0.770 0.688 0.201  -0.066 0.032  73  ARG AAA O   
4274 C CB  A ARG C 74  ? 0.620 0.720 0.752 0.206  -0.052 0.054  73  ARG AAA CB  
4275 C CB  B ARG C 74  ? 0.657 0.760 0.789 0.207  -0.058 0.056  73  ARG AAA CB  
4276 C CG  A ARG C 74  ? 0.606 0.695 0.800 0.209  -0.038 0.045  73  ARG AAA CG  
4277 C CG  B ARG C 74  ? 0.669 0.767 0.872 0.219  -0.071 0.061  73  ARG AAA CG  
4278 C CD  A ARG C 74  ? 0.596 0.689 0.864 0.221  -0.051 0.043  73  ARG AAA CD  
4279 C CD  B ARG C 74  ? 0.724 0.798 0.922 0.225  -0.104 0.099  73  ARG AAA CD  
4280 N NE  A ARG C 74  ? 0.612 0.690 0.870 0.230  -0.089 0.080  73  ARG AAA NE  
4281 N NE  B ARG C 74  ? 0.754 0.803 1.024 0.236  -0.113 0.109  73  ARG AAA NE  
4282 C CZ  A ARG C 74  ? 0.655 0.696 0.915 0.232  -0.103 0.109  73  ARG AAA CZ  
4283 C CZ  B ARG C 74  ? 0.749 0.786 1.053 0.233  -0.083 0.094  73  ARG AAA CZ  
4284 N NH1 A ARG C 74  ? 0.702 0.717 0.923 0.234  -0.143 0.147  73  ARG AAA NH1 
4285 N NH1 B ARG C 74  ? 0.782 0.792 1.159 0.245  -0.093 0.102  73  ARG AAA NH1 
4286 N NH2 A ARG C 74  ? 0.652 0.674 0.941 0.229  -0.078 0.101  73  ARG AAA NH2 
4287 N NH2 B ARG C 74  ? 0.727 0.779 0.998 0.219  -0.048 0.070  73  ARG AAA NH2 
4288 N N   . LEU C 75  ? 0.624 0.747 0.665 0.197  -0.048 0.021  74  LEU AAA N   
4289 C CA  . LEU C 75  ? 0.629 0.762 0.642 0.194  -0.053 0.010  74  LEU AAA CA  
4290 C C   . LEU C 75  ? 0.600 0.725 0.598 0.199  -0.062 -0.003 74  LEU AAA C   
4291 O O   . LEU C 75  ? 0.619 0.751 0.601 0.198  -0.068 -0.006 74  LEU AAA O   
4292 C CB  . LEU C 75  ? 0.665 0.805 0.687 0.189  -0.042 -0.009 74  LEU AAA CB  
4293 C CG  . LEU C 75  ? 0.724 0.862 0.740 0.173  -0.025 0.002  74  LEU AAA CG  
4294 C CD1 . LEU C 75  ? 0.764 0.912 0.805 0.166  -0.007 -0.028 74  LEU AAA CD1 
4295 C CD2 . LEU C 75  ? 0.752 0.892 0.727 0.156  -0.025 0.011  74  LEU AAA CD2 
4296 N N   . ASN C 76  ? 0.586 0.691 0.581 0.199  -0.062 -0.011 75  ASN AAA N   
4297 C CA  . ASN C 76  ? 0.600 0.676 0.558 0.195  -0.071 -0.018 75  ASN AAA CA  
4298 C C   . ASN C 76  ? 0.614 0.695 0.573 0.188  -0.062 -0.014 75  ASN AAA C   
4299 O O   . ASN C 76  ? 0.645 0.714 0.578 0.186  -0.068 -0.018 75  ASN AAA O   
4300 C CB  . ASN C 76  ? 0.614 0.655 0.546 0.185  -0.070 -0.027 75  ASN AAA CB  
4301 C CG  . ASN C 76  ? 0.620 0.656 0.553 0.194  -0.090 -0.036 75  ASN AAA CG  
4302 O OD1 . ASN C 76  ? 0.616 0.670 0.571 0.207  -0.105 -0.042 75  ASN AAA OD1 
4303 N ND2 . ASN C 76  ? 0.646 0.663 0.562 0.183  -0.090 -0.043 75  ASN AAA ND2 
4304 N N   . GLU C 77  ? 0.583 0.681 0.581 0.187  -0.051 -0.010 76  GLU AAA N   
4305 C CA  . GLU C 77  ? 0.617 0.730 0.640 0.182  -0.047 -0.015 76  GLU AAA CA  
4306 C C   . GLU C 77  ? 0.646 0.783 0.663 0.189  -0.065 -0.003 76  GLU AAA C   
4307 O O   . GLU C 77  ? 0.661 0.804 0.673 0.182  -0.064 -0.014 76  GLU AAA O   
4308 C CB  . GLU C 77  ? 0.594 0.724 0.685 0.185  -0.041 -0.017 76  GLU AAA CB  
4309 C CG  . GLU C 77  ? 0.612 0.724 0.717 0.170  -0.014 -0.040 76  GLU AAA CG  
4310 C CD  . GLU C 77  ? 0.621 0.750 0.812 0.177  -0.008 -0.046 76  GLU AAA CD  
4311 O OE1 . GLU C 77  ? 0.605 0.745 0.828 0.196  -0.032 -0.021 76  GLU AAA OE1 
4312 O OE2 . GLU C 77  ? 0.678 0.802 0.901 0.159  0.022  -0.077 76  GLU AAA OE2 
4313 N N   . MET C 78  ? 0.671 0.818 0.683 0.194  -0.075 0.013  77  MET AAA N   
4314 C CA  . MET C 78  ? 0.673 0.838 0.662 0.190  -0.087 0.022  77  MET AAA CA  
4315 C C   . MET C 78  ? 0.661 0.824 0.623 0.185  -0.082 0.003  77  MET AAA C   
4316 O O   . MET C 78  ? 0.718 0.897 0.672 0.179  -0.086 -0.002 77  MET AAA O   
4317 C CB  . MET C 78  ? 0.715 0.878 0.684 0.184  -0.088 0.036  77  MET AAA CB  
4318 C CG  . MET C 78  ? 0.756 0.911 0.738 0.186  -0.102 0.062  77  MET AAA CG  
4319 S SD  . MET C 78  ? 0.852 0.988 0.782 0.165  -0.094 0.078  77  MET AAA SD  
4320 C CE  . MET C 78  ? 0.890 1.037 0.757 0.141  -0.105 0.081  77  MET AAA CE  
4321 N N   A HIS C 79  ? 0.635 0.779 0.589 0.189  -0.077 -0.008 78  HIS AAA N   
4322 N N   B HIS C 79  ? 0.657 0.801 0.612 0.189  -0.077 -0.008 78  HIS AAA N   
4323 C CA  A HIS C 79  ? 0.637 0.767 0.577 0.190  -0.080 -0.026 78  HIS AAA CA  
4324 C CA  B HIS C 79  ? 0.672 0.805 0.612 0.190  -0.079 -0.026 78  HIS AAA CA  
4325 C C   A HIS C 79  ? 0.655 0.762 0.577 0.184  -0.078 -0.030 78  HIS AAA C   
4326 C C   B HIS C 79  ? 0.678 0.782 0.598 0.185  -0.079 -0.031 78  HIS AAA C   
4327 O O   A HIS C 79  ? 0.682 0.787 0.595 0.180  -0.078 -0.042 78  HIS AAA O   
4328 O O   B HIS C 79  ? 0.705 0.798 0.614 0.182  -0.080 -0.043 78  HIS AAA O   
4329 C CB  A HIS C 79  ? 0.625 0.733 0.571 0.201  -0.089 -0.036 78  HIS AAA CB  
4330 C CB  B HIS C 79  ? 0.685 0.805 0.636 0.199  -0.086 -0.038 78  HIS AAA CB  
4331 C CG  A HIS C 79  ? 0.604 0.739 0.579 0.202  -0.085 -0.054 78  HIS AAA CG  
4332 C CG  B HIS C 79  ? 0.720 0.804 0.661 0.206  -0.101 -0.051 78  HIS AAA CG  
4333 N ND1 A HIS C 79  ? 0.588 0.740 0.581 0.199  -0.076 -0.054 78  HIS AAA ND1 
4334 N ND1 B HIS C 79  ? 0.771 0.803 0.676 0.206  -0.113 -0.043 78  HIS AAA ND1 
4335 C CD2 A HIS C 79  ? 0.597 0.747 0.592 0.200  -0.083 -0.079 78  HIS AAA CD2 
4336 C CD2 B HIS C 79  ? 0.743 0.826 0.701 0.210  -0.108 -0.071 78  HIS AAA CD2 
4337 C CE1 A HIS C 79  ? 0.589 0.764 0.608 0.192  -0.065 -0.080 78  HIS AAA CE1 
4338 C CE1 B HIS C 79  ? 0.829 0.821 0.720 0.211  -0.133 -0.050 78  HIS AAA CE1 
4339 N NE2 A HIS C 79  ? 0.590 0.768 0.616 0.193  -0.069 -0.098 78  HIS AAA NE2 
4340 N NE2 B HIS C 79  ? 0.801 0.827 0.736 0.218  -0.130 -0.069 78  HIS AAA NE2 
4341 N N   . ALA C 80  ? 0.667 0.756 0.585 0.179  -0.071 -0.027 79  ALA AAA N   
4342 C CA  . ALA C 80  ? 0.686 0.749 0.583 0.163  -0.058 -0.038 79  ALA AAA CA  
4343 C C   . ALA C 80  ? 0.673 0.780 0.603 0.158  -0.053 -0.046 79  ALA AAA C   
4344 O O   . ALA C 80  ? 0.679 0.774 0.592 0.145  -0.045 -0.060 79  ALA AAA O   
4345 C CB  . ALA C 80  ? 0.692 0.728 0.581 0.149  -0.042 -0.043 79  ALA AAA CB  
4346 N N   . ALA C 81  ? 0.651 0.801 0.622 0.166  -0.063 -0.036 80  ALA AAA N   
4347 C CA  . ALA C 81  ? 0.657 0.847 0.669 0.163  -0.071 -0.043 80  ALA AAA CA  
4348 C C   . ALA C 81  ? 0.664 0.883 0.659 0.162  -0.089 -0.035 80  ALA AAA C   
4349 O O   . ALA C 81  ? 0.677 0.924 0.692 0.156  -0.097 -0.047 80  ALA AAA O   
4350 C CB  . ALA C 81  ? 0.632 0.840 0.702 0.173  -0.081 -0.036 80  ALA AAA CB  
4351 N N   . GLU C 82  ? 0.696 0.910 0.658 0.164  -0.093 -0.022 81  GLU AAA N   
4352 C CA  . GLU C 82  ? 0.730 0.968 0.664 0.152  -0.105 -0.017 81  GLU AAA CA  
4353 C C   . GLU C 82  ? 0.763 0.997 0.672 0.142  -0.087 -0.039 81  GLU AAA C   
4354 O O   . GLU C 82  ? 0.766 0.987 0.671 0.145  -0.077 -0.043 81  GLU AAA O   
4355 C CB  . GLU C 82  ? 0.746 0.978 0.661 0.151  -0.117 0.009  81  GLU AAA CB  
4356 C CG  . GLU C 82  ? 0.765 0.996 0.713 0.164  -0.142 0.032  81  GLU AAA CG  
4357 C CD  . GLU C 82  ? 0.806 1.060 0.766 0.161  -0.178 0.039  81  GLU AAA CD  
4358 O OE1 . GLU C 82  ? 0.836 1.104 0.750 0.142  -0.184 0.034  81  GLU AAA OE1 
4359 O OE2 . GLU C 82  ? 0.812 1.073 0.835 0.178  -0.201 0.043  81  GLU AAA OE2 
4360 N N   . PRO C 83  ? 0.834 1.084 0.739 0.129  -0.083 -0.059 82  PRO AAA N   
4361 C CA  . PRO C 83  ? 0.845 1.094 0.740 0.118  -0.065 -0.085 82  PRO AAA CA  
4362 C C   . PRO C 83  ? 0.873 1.137 0.749 0.102  -0.056 -0.091 82  PRO AAA C   
4363 O O   . PRO C 83  ? 0.854 1.113 0.749 0.101  -0.039 -0.118 82  PRO AAA O   
4364 C CB  . PRO C 83  ? 0.871 1.146 0.763 0.101  -0.064 -0.103 82  PRO AAA CB  
4365 C CG  . PRO C 83  ? 0.856 1.134 0.772 0.109  -0.076 -0.094 82  PRO AAA CG  
4366 C CD  . PRO C 83  ? 0.836 1.110 0.759 0.124  -0.094 -0.064 82  PRO AAA CD  
4367 N N   . GLN C 84  ? 0.903 1.180 0.743 0.088  -0.069 -0.069 83  GLN AAA N   
4368 C CA  . GLN C 84  ? 0.958 1.239 0.756 0.059  -0.056 -0.072 83  GLN AAA CA  
4369 C C   . GLN C 84  ? 0.942 1.206 0.769 0.071  -0.039 -0.078 83  GLN AAA C   
4370 O O   . GLN C 84  ? 0.960 1.232 0.785 0.048  -0.011 -0.108 83  GLN AAA O   
4371 C CB  . GLN C 84  ? 1.032 1.307 0.772 0.043  -0.085 -0.034 83  GLN AAA CB  
4372 C CG  . GLN C 84  ? 1.134 1.399 0.797 -0.003 -0.070 -0.034 83  GLN AAA CG  
4373 C CD  . GLN C 84  ? 1.248 1.494 0.833 -0.022 -0.113 0.008  83  GLN AAA CD  
4374 O OE1 . GLN C 84  ? 1.240 1.502 0.824 -0.017 -0.148 0.016  83  GLN AAA OE1 
4375 N NE2 . GLN C 84  ? 1.323 1.528 0.841 -0.046 -0.115 0.035  83  GLN AAA NE2 
4376 N N   . MET C 85  ? 0.894 1.138 0.752 0.103  -0.053 -0.057 84  MET AAA N   
4377 C CA  . MET C 85  ? 0.873 1.104 0.762 0.117  -0.044 -0.063 84  MET AAA CA  
4378 C C   . MET C 85  ? 0.833 1.065 0.770 0.127  -0.034 -0.102 84  MET AAA C   
4379 O O   . MET C 85  ? 0.806 1.049 0.772 0.120  -0.017 -0.131 84  MET AAA O   
4380 C CB  . MET C 85  ? 0.877 1.086 0.782 0.143  -0.061 -0.036 84  MET AAA CB  
4381 C CG  . MET C 85  ? 0.896 1.094 0.824 0.152  -0.054 -0.038 84  MET AAA CG  
4382 S SD  . MET C 85  ? 0.946 1.140 0.842 0.130  -0.044 -0.016 84  MET AAA SD  
4383 C CE  . MET C 85  ? 0.936 1.122 0.877 0.144  -0.034 -0.030 84  MET AAA CE  
4384 N N   . ARG C 86  ? 0.802 1.004 0.853 0.045  -0.061 -0.090 85  ARG AAA N   
4385 C CA  . ARG C 86  ? 0.807 1.013 0.858 0.026  -0.040 -0.077 85  ARG AAA CA  
4386 C C   . ARG C 86  ? 0.866 1.029 0.878 0.031  -0.038 -0.067 85  ARG AAA C   
4387 O O   . ARG C 86  ? 0.846 1.000 0.848 0.027  -0.023 -0.056 85  ARG AAA O   
4388 C CB  . ARG C 86  ? 0.811 1.063 0.893 0.004  -0.042 -0.086 85  ARG AAA CB  
4389 C CG  . ARG C 86  ? 0.831 1.150 0.952 0.001  -0.041 -0.102 85  ARG AAA CG  
4390 C CD  . ARG C 86  ? 0.853 1.233 0.999 -0.034 -0.034 -0.102 85  ARG AAA CD  
4391 N NE  . ARG C 86  ? 0.877 1.340 1.061 -0.033 -0.042 -0.129 85  ARG AAA NE  
4392 C CZ  . ARG C 86  ? 0.910 1.395 1.106 -0.034 -0.060 -0.142 85  ARG AAA CZ  
4393 N NH1 . ARG C 86  ? 0.963 1.386 1.132 -0.040 -0.072 -0.129 85  ARG AAA NH1 
4394 N NH2 . ARG C 86  ? 0.927 1.504 1.165 -0.029 -0.067 -0.173 85  ARG AAA NH2 
4395 N N   . GLU C 87  ? 0.912 1.054 0.900 0.042  -0.055 -0.074 86  GLU AAA N   
4396 C CA  . GLU C 87  ? 0.972 1.081 0.917 0.053  -0.055 -0.070 86  GLU AAA CA  
4397 C C   . GLU C 87  ? 0.936 1.038 0.851 0.058  -0.039 -0.054 86  GLU AAA C   
4398 O O   . GLU C 87  ? 0.891 0.998 0.791 0.060  -0.023 -0.050 86  GLU AAA O   
4399 C CB  . GLU C 87  ? 1.081 1.170 1.006 0.065  -0.079 -0.082 86  GLU AAA CB  
4400 C CG  . GLU C 87  ? 1.142 1.237 1.088 0.056  -0.096 -0.096 86  GLU AAA CG  
4401 C CD  . GLU C 87  ? 1.203 1.279 1.138 0.052  -0.096 -0.095 86  GLU AAA CD  
4402 O OE1 . GLU C 87  ? 1.227 1.277 1.121 0.072  -0.095 -0.098 86  GLU AAA OE1 
4403 O OE2 . GLU C 87  ? 1.199 1.287 1.161 0.029  -0.099 -0.091 86  GLU AAA OE2 
4404 N N   . GLN C 88  ? 0.963 1.054 0.870 0.057  -0.049 -0.045 87  GLN AAA N   
4405 C CA  . GLN C 88  ? 1.004 1.083 0.877 0.049  -0.042 -0.022 87  GLN AAA CA  
4406 C C   . GLN C 88  ? 0.952 1.058 0.845 0.038  -0.016 -0.010 87  GLN AAA C   
4407 O O   . GLN C 88  ? 0.982 1.105 0.850 0.032  0.002  0.004  87  GLN AAA O   
4408 C CB  . GLN C 88  ? 1.068 1.116 0.935 0.049  -0.072 -0.017 87  GLN AAA CB  
4409 C CG  . GLN C 88  ? 1.158 1.179 0.983 0.031  -0.078 0.014  87  GLN AAA CG  
4410 C CD  . GLN C 88  ? 1.237 1.208 1.052 0.034  -0.123 0.016  87  GLN AAA CD  
4411 O OE1 . GLN C 88  ? 1.305 1.241 1.092 0.043  -0.154 0.010  87  GLN AAA OE1 
4412 N NE2 . GLN C 88  ? 1.248 1.208 1.084 0.029  -0.135 0.022  87  GLN AAA NE2 
4413 N N   . THR C 89  ? 0.848 0.968 0.786 0.035  -0.013 -0.017 88  THR AAA N   
4414 C CA  . THR C 89  ? 0.780 0.916 0.738 0.025  0.005  -0.005 88  THR AAA CA  
4415 C C   . THR C 89  ? 0.729 0.886 0.706 0.026  0.022  -0.013 88  THR AAA C   
4416 O O   . THR C 89  ? 0.738 0.909 0.719 0.022  0.038  -0.004 88  THR AAA O   
4417 C CB  . THR C 89  ? 0.773 0.906 0.759 0.024  -0.009 -0.008 88  THR AAA CB  
4418 O OG1 . THR C 89  ? 0.688 0.846 0.707 0.027  -0.010 -0.029 88  THR AAA OG1 
4419 C CG2 . THR C 89  ? 0.820 0.918 0.786 0.028  -0.040 -0.005 88  THR AAA CG2 
4420 N N   . GLY C 90  ? 0.694 0.848 0.681 0.029  0.014  -0.028 89  GLY AAA N   
4421 C CA  . GLY C 90  ? 0.658 0.815 0.660 0.024  0.017  -0.033 89  GLY AAA CA  
4422 C C   . GLY C 90  ? 0.610 0.783 0.643 0.008  0.020  -0.030 89  GLY AAA C   
4423 O O   . GLY C 90  ? 0.634 0.802 0.673 -0.003 0.016  -0.030 89  GLY AAA O   
4424 N N   . VAL C 91  ? 0.575 0.763 0.623 0.006  0.020  -0.028 90  VAL AAA N   
4425 C CA  . VAL C 91  ? 0.562 0.775 0.637 -0.004 0.024  -0.030 90  VAL AAA CA  
4426 C C   . VAL C 91  ? 0.585 0.833 0.678 -0.016 0.015  -0.043 90  VAL AAA C   
4427 O O   . VAL C 91  ? 0.609 0.869 0.706 -0.007 0.004  -0.057 90  VAL AAA O   
4428 C CB  . VAL C 91  ? 0.546 0.759 0.627 0.006  0.019  -0.029 90  VAL AAA CB  
4429 C CG1 . VAL C 91  ? 0.534 0.779 0.641 0.002  0.020  -0.038 90  VAL AAA CG1 
4430 C CG2 . VAL C 91  ? 0.558 0.745 0.621 0.007  0.025  -0.010 90  VAL AAA CG2 
4431 N N   . THR C 92  ? 0.617 0.882 0.717 -0.040 0.019  -0.039 91  THR AAA N   
4432 C CA  . THR C 92  ? 0.632 0.946 0.748 -0.065 0.013  -0.045 91  THR AAA CA  
4433 C C   . THR C 92  ? 0.616 0.990 0.753 -0.073 0.023  -0.053 91  THR AAA C   
4434 O O   . THR C 92  ? 0.611 0.971 0.748 -0.064 0.031  -0.048 91  THR AAA O   
4435 C CB  . THR C 92  ? 0.664 0.951 0.762 -0.095 0.002  -0.029 91  THR AAA CB  
4436 O OG1 . THR C 92  ? 0.659 0.921 0.747 -0.104 0.006  -0.016 91  THR AAA OG1 
4437 C CG2 . THR C 92  ? 0.707 0.936 0.781 -0.080 -0.013 -0.030 91  THR AAA CG2 
4438 N N   . PRO C 93  ? 0.633 1.086 0.792 -0.090 0.022  -0.067 92  PRO AAA N   
4439 C CA  . PRO C 93  ? 0.600 1.126 0.777 -0.095 0.033  -0.080 92  PRO AAA CA  
4440 C C   . PRO C 93  ? 0.577 1.090 0.736 -0.126 0.042  -0.056 92  PRO AAA C   
4441 O O   . PRO C 93  ? 0.579 1.116 0.743 -0.117 0.050  -0.063 92  PRO AAA O   
4442 C CB  . PRO C 93  ? 0.612 1.241 0.815 -0.113 0.032  -0.100 92  PRO AAA CB  
4443 C CG  . PRO C 93  ? 0.628 1.224 0.832 -0.103 0.016  -0.103 92  PRO AAA CG  
4444 C CD  . PRO C 93  ? 0.645 1.130 0.813 -0.104 0.012  -0.074 92  PRO AAA CD  
4445 N N   . GLU C 94  ? 0.632 0.942 0.762 -0.052 -0.013 -0.063 93  GLU AAA N   
4446 C CA  . GLU C 94  ? 0.690 0.931 0.783 -0.073 -0.026 -0.046 93  GLU AAA CA  
4447 C C   . GLU C 94  ? 0.633 0.845 0.739 -0.030 -0.024 -0.043 93  GLU AAA C   
4448 O O   . GLU C 94  ? 0.621 0.813 0.716 -0.037 -0.023 -0.035 93  GLU AAA O   
4449 C CB  . GLU C 94  ? 0.810 0.970 0.850 -0.094 -0.058 -0.040 93  GLU AAA CB  
4450 C CG  . GLU C 94  ? 0.907 1.083 0.913 -0.159 -0.067 -0.037 93  GLU AAA CG  
4451 C CD  . GLU C 94  ? 0.920 1.155 0.953 -0.153 -0.059 -0.052 93  GLU AAA CD  
4452 O OE1 . GLU C 94  ? 0.909 1.131 0.968 -0.100 -0.059 -0.060 93  GLU AAA OE1 
4453 O OE2 . GLU C 94  ? 0.974 1.279 1.000 -0.205 -0.053 -0.057 93  GLU AAA OE2 
4454 N N   . MET C 95  ? 0.581 0.800 0.705 0.006  -0.022 -0.050 94  MET AAA N   
4455 C CA  . MET C 95  ? 0.542 0.759 0.674 0.036  -0.018 -0.049 94  MET AAA CA  
4456 C C   . MET C 95  ? 0.477 0.721 0.626 0.035  -0.002 -0.042 94  MET AAA C   
4457 O O   . MET C 95  ? 0.462 0.696 0.607 0.038  0.000  -0.036 94  MET AAA O   
4458 C CB  . MET C 95  ? 0.517 0.757 0.658 0.059  -0.019 -0.057 94  MET AAA CB  
4459 C CG  . MET C 95  ? 0.514 0.774 0.655 0.078  -0.020 -0.063 94  MET AAA CG  
4460 S SD  . MET C 95  ? 0.513 0.823 0.658 0.092  -0.020 -0.074 94  MET AAA SD  
4461 C CE  . MET C 95  ? 0.533 0.812 0.664 0.118  -0.048 -0.098 94  MET AAA CE  
4462 N N   . ILE C 96  ? 0.459 0.731 0.620 0.037  0.003  -0.047 95  ILE AAA N   
4463 C CA  . ILE C 96  ? 0.469 0.750 0.633 0.045  0.005  -0.047 95  ILE AAA CA  
4464 C C   . ILE C 96  ? 0.480 0.769 0.647 0.029  0.011  -0.045 95  ILE AAA C   
4465 O O   . ILE C 96  ? 0.465 0.741 0.629 0.035  0.012  -0.039 95  ILE AAA O   
4466 C CB  . ILE C 96  ? 0.470 0.776 0.639 0.063  -0.004 -0.065 95  ILE AAA CB  
4467 C CG1 . ILE C 96  ? 0.509 0.789 0.661 0.076  -0.015 -0.060 95  ILE AAA CG1 
4468 C CG2 . ILE C 96  ? 0.460 0.771 0.625 0.080  -0.014 -0.076 95  ILE AAA CG2 
4469 C CD1 . ILE C 96  ? 0.551 0.840 0.699 0.100  -0.033 -0.080 95  ILE AAA CD1 
4470 N N   . ASP C 97  ? 0.487 0.794 0.651 0.002  0.013  -0.049 96  ASP AAA N   
4471 C CA  . ASP C 97  ? 0.513 0.831 0.668 -0.027 0.017  -0.045 96  ASP AAA CA  
4472 C C   . ASP C 97  ? 0.502 0.756 0.638 -0.028 0.012  -0.028 96  ASP AAA C   
4473 O O   . ASP C 97  ? 0.504 0.760 0.641 -0.031 0.017  -0.023 96  ASP AAA O   
4474 C CB  . ASP C 97  ? 0.564 0.913 0.702 -0.075 0.014  -0.048 96  ASP AAA CB  
4475 C CG  . ASP C 97  ? 0.638 1.014 0.759 -0.116 0.019  -0.044 96  ASP AAA CG  
4476 O OD1 . ASP C 97  ? 0.625 1.079 0.773 -0.104 0.030  -0.063 96  ASP AAA OD1 
4477 O OD2 . ASP C 97  ? 0.710 1.023 0.784 -0.157 0.005  -0.024 96  ASP AAA OD2 
4478 N N   . PHE C 98  ? 0.497 0.702 0.615 -0.019 -0.002 -0.024 97  PHE AAA N   
4479 C CA  . PHE C 98  ? 0.524 0.679 0.622 -0.006 -0.015 -0.021 97  PHE AAA CA  
4480 C C   . PHE C 98  ? 0.484 0.668 0.606 0.016  -0.000 -0.020 97  PHE AAA C   
4481 O O   . PHE C 98  ? 0.469 0.641 0.587 0.014  0.000  -0.015 97  PHE AAA O   
4482 C CB  . PHE C 98  ? 0.563 0.679 0.640 0.015  -0.039 -0.031 97  PHE AAA CB  
4483 C CG  . PHE C 98  ? 0.588 0.678 0.651 0.046  -0.059 -0.042 97  PHE AAA CG  
4484 C CD1 . PHE C 98  ? 0.658 0.678 0.677 0.038  -0.085 -0.039 97  PHE AAA CD1 
4485 C CD2 . PHE C 98  ? 0.579 0.723 0.665 0.081  -0.053 -0.059 97  PHE AAA CD2 
4486 C CE1 . PHE C 98  ? 0.690 0.692 0.696 0.077  -0.107 -0.058 97  PHE AAA CE1 
4487 C CE2 . PHE C 98  ? 0.597 0.748 0.675 0.113  -0.070 -0.079 97  PHE AAA CE2 
4488 C CZ  . PHE C 98  ? 0.644 0.723 0.685 0.118  -0.099 -0.082 97  PHE AAA CZ  
4489 N N   . ILE C 99  ? 0.545 0.560 0.495 0.021  -0.056 -0.019 98  ILE AAA N   
4490 C CA  . ILE C 99  ? 0.506 0.536 0.463 0.030  -0.043 -0.019 98  ILE AAA CA  
4491 C C   . ILE C 99  ? 0.508 0.551 0.483 0.028  -0.037 -0.014 98  ILE AAA C   
4492 O O   . ILE C 99  ? 0.497 0.541 0.473 0.029  -0.029 -0.013 98  ILE AAA O   
4493 C CB  . ILE C 99  ? 0.515 0.545 0.459 0.031  -0.044 -0.018 98  ILE AAA CB  
4494 C CG1 . ILE C 99  ? 0.545 0.569 0.467 0.037  -0.048 -0.027 98  ILE AAA CG1 
4495 C CG2 . ILE C 99  ? 0.533 0.565 0.470 0.028  -0.038 -0.012 98  ILE AAA CG2 
4496 C CD1 . ILE C 99  ? 0.565 0.610 0.483 0.046  -0.039 -0.037 98  ILE AAA CD1 
4497 N N   . THR C 100 ? 0.533 0.593 0.521 0.025  -0.042 -0.013 99  THR AAA N   
4498 C CA  . THR C 100 ? 0.509 0.592 0.514 0.031  -0.038 -0.014 99  THR AAA CA  
4499 C C   . THR C 100 ? 0.508 0.591 0.517 0.022  -0.030 -0.012 99  THR AAA C   
4500 O O   . THR C 100 ? 0.555 0.636 0.566 0.030  -0.025 -0.012 99  THR AAA O   
4501 C CB  . THR C 100 ? 0.509 0.635 0.531 0.032  -0.045 -0.019 99  THR AAA CB  
4502 O OG1 . THR C 100 ? 0.497 0.613 0.510 0.044  -0.057 -0.021 99  THR AAA OG1 
4503 C CG2 . THR C 100 ? 0.488 0.649 0.524 0.047  -0.043 -0.027 99  THR AAA CG2 
4504 N N   . ARG C 101 ? 0.519 0.596 0.522 0.006  -0.034 -0.010 100 ARG AAA N   
4505 C CA  . ARG C 101 ? 0.525 0.591 0.521 -0.004 -0.032 -0.007 100 ARG AAA CA  
4506 C C   . ARG C 101 ? 0.531 0.570 0.519 0.010  -0.029 -0.010 100 ARG AAA C   
4507 O O   . ARG C 101 ? 0.534 0.573 0.526 0.011  -0.023 -0.009 100 ARG AAA O   
4508 C CB  . ARG C 101 ? 0.579 0.627 0.553 -0.030 -0.046 -0.002 100 ARG AAA CB  
4509 C CG  . ARG C 101 ? 0.598 0.698 0.584 -0.055 -0.045 0.002  100 ARG AAA CG  
4510 C CD  . ARG C 101 ? 0.657 0.736 0.609 -0.095 -0.062 0.012  100 ARG AAA CD  
4511 N NE  . ARG C 101 ? 0.699 0.738 0.626 -0.099 -0.080 0.013  100 ARG AAA NE  
4512 C CZ  . ARG C 101 ? 0.752 0.713 0.637 -0.094 -0.100 0.011  100 ARG AAA CZ  
4513 N NH1 . ARG C 101 ? 0.769 0.683 0.633 -0.083 -0.105 0.009  100 ARG AAA NH1 
4514 N NH2 . ARG C 101 ? 0.815 0.743 0.676 -0.095 -0.117 0.010  100 ARG AAA NH2 
4515 N N   . ALA C 102 ? 0.536 0.560 0.513 0.021  -0.033 -0.015 101 ALA AAA N   
4516 C CA  . ALA C 102 ? 0.535 0.560 0.508 0.035  -0.029 -0.022 101 ALA AAA CA  
4517 C C   . ALA C 102 ? 0.508 0.555 0.494 0.033  -0.016 -0.017 101 ALA AAA C   
4518 O O   . ALA C 102 ? 0.525 0.579 0.514 0.034  -0.012 -0.019 101 ALA AAA O   
4519 C CB  . ALA C 102 ? 0.566 0.591 0.525 0.047  -0.034 -0.033 101 ALA AAA CB  
4520 N N   . PHE C 103 ? 0.522 0.571 0.508 0.029  -0.015 -0.012 102 PHE AAA N   
4521 C CA  . PHE C 103 ? 0.515 0.560 0.495 0.025  -0.013 -0.006 102 PHE AAA CA  
4522 C C   . PHE C 103 ? 0.511 0.552 0.499 0.027  -0.011 -0.005 102 PHE AAA C   
4523 O O   . PHE C 103 ? 0.530 0.565 0.510 0.022  -0.010 -0.002 102 PHE AAA O   
4524 C CB  . PHE C 103 ? 0.544 0.576 0.510 0.027  -0.022 -0.003 102 PHE AAA CB  
4525 C CG  . PHE C 103 ? 0.575 0.579 0.512 0.020  -0.030 0.004  102 PHE AAA CG  
4526 C CD1 . PHE C 103 ? 0.608 0.615 0.526 -0.001 -0.026 0.011  102 PHE AAA CD1 
4527 C CD2 . PHE C 103 ? 0.646 0.622 0.570 0.033  -0.045 0.003  102 PHE AAA CD2 
4528 C CE1 . PHE C 103 ? 0.677 0.647 0.554 -0.019 -0.039 0.021  102 PHE AAA CE1 
4529 C CE2 . PHE C 103 ? 0.711 0.638 0.592 0.026  -0.061 0.010  102 PHE AAA CE2 
4530 C CZ  . PHE C 103 ? 0.721 0.639 0.575 -0.005 -0.059 0.022  102 PHE AAA CZ  
4531 N N   . ALA C 104 ? 0.493 0.544 0.494 0.031  -0.012 -0.008 103 ALA AAA N   
4532 C CA  . ALA C 104 ? 0.485 0.543 0.493 0.032  -0.009 -0.009 103 ALA AAA CA  
4533 C C   . ALA C 104 ? 0.494 0.542 0.500 0.026  -0.005 -0.007 103 ALA AAA C   
4534 O O   . ALA C 104 ? 0.537 0.579 0.540 0.027  -0.002 -0.005 103 ALA AAA O   
4535 C CB  . ALA C 104 ? 0.457 0.545 0.476 0.027  -0.009 -0.012 103 ALA AAA CB  
4536 N N   . GLU C 105 ? 0.493 0.535 0.495 0.023  -0.008 -0.009 104 GLU AAA N   
4537 C CA  . GLU C 105 ? 0.521 0.554 0.518 0.025  -0.010 -0.012 104 GLU AAA CA  
4538 C C   . GLU C 105 ? 0.490 0.538 0.490 0.028  -0.005 -0.013 104 GLU AAA C   
4539 O O   . GLU C 105 ? 0.515 0.564 0.516 0.029  -0.004 -0.014 104 GLU AAA O   
4540 C CB  . GLU C 105 ? 0.540 0.555 0.523 0.032  -0.023 -0.019 104 GLU AAA CB  
4541 C CG  . GLU C 105 ? 0.609 0.597 0.574 0.017  -0.034 -0.014 104 GLU AAA CG  
4542 C CD  . GLU C 105 ? 0.645 0.618 0.599 0.001  -0.037 -0.007 104 GLU AAA CD  
4543 O OE1 . GLU C 105 ? 0.652 0.624 0.610 0.009  -0.034 -0.009 104 GLU AAA OE1 
4544 O OE2 . GLU C 105 ? 0.686 0.651 0.625 -0.023 -0.043 0.000  104 GLU AAA OE2 
4545 N N   . SER C 106 ? 0.500 0.561 0.497 0.025  -0.002 -0.011 105 SER AAA N   
4546 C CA  . SER C 106 ? 0.535 0.618 0.526 0.015  0.002  -0.009 105 SER AAA CA  
4547 C C   . SER C 106 ? 0.548 0.610 0.531 0.004  0.001  0.000  105 SER AAA C   
4548 O O   . SER C 106 ? 0.569 0.645 0.548 -0.007 0.002  0.002  105 SER AAA O   
4549 C CB  . SER C 106 ? 0.550 0.647 0.529 0.005  0.003  -0.007 105 SER AAA CB  
4550 O OG  . SER C 106 ? 0.613 0.674 0.574 -0.004 -0.003 0.004  105 SER AAA OG  
4551 N N   . LYS C 107 ? 0.549 0.580 0.526 0.010  -0.004 0.003  106 LYS AAA N   
4552 C CA  . LYS C 107 ? 0.556 0.559 0.517 0.009  -0.010 0.007  106 LYS AAA CA  
4553 C C   . LYS C 107 ? 0.532 0.540 0.507 0.014  -0.005 0.004  106 LYS AAA C   
4554 O O   . LYS C 107 ? 0.546 0.542 0.509 0.007  -0.008 0.007  106 LYS AAA O   
4555 C CB  . LYS C 107 ? 0.582 0.562 0.532 0.026  -0.019 0.003  106 LYS AAA CB  
4556 C CG  . LYS C 107 ? 0.600 0.564 0.531 0.024  -0.030 0.006  106 LYS AAA CG  
4557 C CD  . LYS C 107 ? 0.664 0.598 0.557 -0.002 -0.039 0.018  106 LYS AAA CD  
4558 C CE  . LYS C 107 ? 0.729 0.636 0.591 -0.007 -0.053 0.023  106 LYS AAA CE  
4559 N NZ  . LYS C 107 ? 0.751 0.661 0.584 -0.045 -0.053 0.036  106 LYS AAA NZ  
4560 N N   . LEU C 108 ? 0.493 0.514 0.484 0.021  -0.000 -0.001 107 LEU AAA N   
4561 C CA  . LEU C 108 ? 0.504 0.524 0.498 0.020  0.002  -0.002 107 LEU AAA CA  
4562 C C   . LEU C 108 ? 0.489 0.511 0.484 0.017  -0.000 -0.003 107 LEU AAA C   
4563 O O   . LEU C 108 ? 0.520 0.532 0.511 0.015  -0.002 -0.002 107 LEU AAA O   
4564 C CB  . LEU C 108 ? 0.508 0.536 0.506 0.017  0.002  -0.004 107 LEU AAA CB  
4565 C CG  . LEU C 108 ? 0.503 0.553 0.506 0.018  0.005  -0.006 107 LEU AAA CG  
4566 C CD1 . LEU C 108 ? 0.510 0.575 0.514 0.004  0.003  -0.005 107 LEU AAA CD1 
4567 C CD2 . LEU C 108 ? 0.521 0.582 0.520 0.022  0.008  -0.010 107 LEU AAA CD2 
4568 N N   . ALA C 109 ? 0.500 0.540 0.500 0.019  -0.002 -0.007 108 ALA AAA N   
4569 C CA  . ALA C 109 ? 0.508 0.570 0.512 0.023  -0.005 -0.014 108 ALA AAA CA  
4570 C C   . ALA C 109 ? 0.515 0.590 0.516 0.007  -0.003 -0.007 108 ALA AAA C   
4571 O O   . ALA C 109 ? 0.543 0.631 0.549 0.009  -0.007 -0.011 108 ALA AAA O   
4572 C CB  . ALA C 109 ? 0.505 0.602 0.515 0.035  -0.007 -0.025 108 ALA AAA CB  
4573 N N   . ILE C 110 ? 0.518 0.583 0.506 -0.008 -0.002 0.003  109 ILE AAA N   
4574 C CA  . ILE C 110 ? 0.521 0.576 0.488 -0.032 -0.007 0.013  109 ILE AAA CA  
4575 C C   . ILE C 110 ? 0.548 0.558 0.503 -0.025 -0.012 0.015  109 ILE AAA C   
4576 O O   . ILE C 110 ? 0.566 0.575 0.516 -0.035 -0.016 0.017  109 ILE AAA O   
4577 C CB  . ILE C 110 ? 0.551 0.590 0.489 -0.052 -0.013 0.023  109 ILE AAA CB  
4578 C CG1 . ILE C 110 ? 0.559 0.656 0.505 -0.066 -0.006 0.021  109 ILE AAA CG1 
4579 C CG2 . ILE C 110 ? 0.615 0.614 0.513 -0.079 -0.027 0.036  109 ILE AAA CG2 
4580 C CD1 . ILE C 110 ? 0.587 0.662 0.502 -0.085 -0.012 0.031  109 ILE AAA CD1 
4581 N N   . TRP C 111 ? 0.540 0.522 0.491 -0.008 -0.012 0.012  110 TRP AAA N   
4582 C CA  . TRP C 111 ? 0.555 0.507 0.493 0.002  -0.015 0.010  110 TRP AAA CA  
4583 C C   . TRP C 111 ? 0.534 0.497 0.485 0.002  -0.011 0.008  110 TRP AAA C   
4584 O O   . TRP C 111 ? 0.569 0.509 0.504 0.003  -0.015 0.008  110 TRP AAA O   
4585 C CB  . TRP C 111 ? 0.545 0.495 0.485 0.022  -0.014 0.002  110 TRP AAA CB  
4586 C CG  . TRP C 111 ? 0.575 0.495 0.489 0.030  -0.028 0.001  110 TRP AAA CG  
4587 C CD1 . TRP C 111 ? 0.625 0.492 0.496 0.022  -0.047 0.007  110 TRP AAA CD1 
4588 C CD2 . TRP C 111 ? 0.581 0.510 0.499 0.047  -0.030 -0.006 110 TRP AAA CD2 
4589 N NE1 . TRP C 111 ? 0.668 0.501 0.510 0.036  -0.064 0.004  110 TRP AAA NE1 
4590 C CE2 . TRP C 111 ? 0.640 0.515 0.515 0.055  -0.053 -0.006 110 TRP AAA CE2 
4591 C CE3 . TRP C 111 ? 0.564 0.537 0.511 0.055  -0.019 -0.012 110 TRP AAA CE3 
4592 C CZ2 . TRP C 111 ? 0.662 0.531 0.528 0.077  -0.064 -0.015 110 TRP AAA CZ2 
4593 C CZ3 . TRP C 111 ? 0.581 0.560 0.526 0.072  -0.027 -0.020 110 TRP AAA CZ3 
4594 C CH2 . TRP C 111 ? 0.631 0.559 0.538 0.086  -0.049 -0.022 110 TRP AAA CH2 
4595 N N   . ALA C 112 ? 0.532 0.519 0.502 0.004  -0.007 0.004  111 ALA AAA N   
4596 C CA  . ALA C 112 ? 0.528 0.513 0.501 0.007  -0.010 0.002  111 ALA AAA CA  
4597 C C   . ALA C 112 ? 0.518 0.505 0.487 -0.001 -0.016 0.003  111 ALA AAA C   
4598 O O   . ALA C 112 ? 0.548 0.522 0.511 0.001  -0.021 0.002  111 ALA AAA O   
4599 C CB  . ALA C 112 ? 0.518 0.514 0.500 0.015  -0.015 -0.005 111 ALA AAA CB  
4600 N N   . ARG C 113 ? 0.533 0.538 0.500 -0.014 -0.017 0.007  112 ARG AAA N   
4601 C CA  . ARG C 113 ? 0.561 0.579 0.523 -0.031 -0.024 0.011  112 ARG AAA CA  
4602 C C   . ARG C 113 ? 0.585 0.551 0.513 -0.043 -0.032 0.020  112 ARG AAA C   
4603 O O   . ARG C 113 ? 0.577 0.543 0.491 -0.063 -0.041 0.026  112 ARG AAA O   
4604 C CB  . ARG C 113 ? 0.558 0.632 0.528 -0.050 -0.024 0.012  112 ARG AAA CB  
4605 C CG  . ARG C 113 ? 0.567 0.702 0.568 -0.031 -0.020 -0.003 112 ARG AAA CG  
4606 C CD  . ARG C 113 ? 0.576 0.795 0.589 -0.048 -0.017 -0.008 112 ARG AAA CD  
4607 N NE  . ARG C 113 ? 0.581 0.813 0.585 -0.064 -0.010 -0.002 112 ARG AAA NE  
4608 C CZ  . ARG C 113 ? 0.587 0.832 0.603 -0.042 -0.005 -0.012 112 ARG AAA CZ  
4609 N NH1 . ARG C 113 ? 0.583 0.823 0.614 -0.004 -0.009 -0.028 112 ARG AAA NH1 
4610 N NH2 . ARG C 113 ? 0.614 0.871 0.618 -0.061 0.000  -0.005 112 ARG AAA NH2 
4611 N N   . TYR C 114 ? 0.613 0.539 0.525 -0.030 -0.031 0.020  113 TYR AAA N   
4612 C CA  . TYR C 114 ? 0.660 0.529 0.531 -0.030 -0.044 0.022  113 TYR AAA CA  
4613 C C   . TYR C 114 ? 0.679 0.535 0.547 -0.004 -0.040 0.011  113 TYR AAA C   
4614 O O   . TYR C 114 ? 0.755 0.573 0.592 0.001  -0.050 0.009  113 TYR AAA O   
4615 C CB  . TYR C 114 ? 0.666 0.501 0.505 -0.035 -0.056 0.026  113 TYR AAA CB  
4616 C CG  . TYR C 114 ? 0.674 0.526 0.505 -0.072 -0.062 0.039  113 TYR AAA CG  
4617 C CD1 . TYR C 114 ? 0.641 0.550 0.503 -0.078 -0.049 0.039  113 TYR AAA CD1 
4618 C CD2 . TYR C 114 ? 0.707 0.527 0.497 -0.105 -0.080 0.052  113 TYR AAA CD2 
4619 C CE1 . TYR C 114 ? 0.653 0.602 0.510 -0.115 -0.051 0.049  113 TYR AAA CE1 
4620 C CE2 . TYR C 114 ? 0.744 0.600 0.525 -0.149 -0.083 0.064  113 TYR AAA CE2 
4621 C CZ  . TYR C 114 ? 0.709 0.638 0.527 -0.153 -0.066 0.062  113 TYR AAA CZ  
4622 O OH  . TYR C 114 ? 0.749 0.732 0.559 -0.198 -0.067 0.072  113 TYR AAA OH  
4623 N N   . LEU C 115 ? 0.649 0.539 0.545 0.008  -0.026 0.005  114 LEU AAA N   
4624 C CA  . LEU C 115 ? 0.633 0.533 0.527 0.023  -0.018 -0.004 114 LEU AAA CA  
4625 C C   . LEU C 115 ? 0.579 0.489 0.481 0.012  -0.012 -0.001 114 LEU AAA C   
4626 O O   . LEU C 115 ? 0.602 0.519 0.519 0.003  -0.014 0.004  114 LEU AAA O   
4627 C CB  . LEU C 115 ? 0.611 0.543 0.522 0.033  -0.010 -0.010 114 LEU AAA CB  
4628 C CG  . LEU C 115 ? 0.633 0.550 0.532 0.048  -0.019 -0.015 114 LEU AAA CG  
4629 C CD1 . LEU C 115 ? 0.629 0.589 0.550 0.058  -0.011 -0.022 114 LEU AAA CD1 
4630 C CD2 . LEU C 115 ? 0.689 0.568 0.551 0.070  -0.035 -0.025 114 LEU AAA CD2 
4631 N N   . ASN C 116 ? 0.597 0.510 0.485 0.015  -0.008 -0.007 115 ASN AAA N   
4632 C CA  . ASN C 116 ? 0.605 0.522 0.489 -0.000 -0.006 -0.002 115 ASN AAA CA  
4633 C C   . ASN C 116 ? 0.593 0.537 0.486 -0.011 0.001  -0.001 115 ASN AAA C   
4634 O O   . ASN C 116 ? 0.579 0.550 0.488 -0.002 0.007  -0.005 115 ASN AAA O   
4635 C CB  . ASN C 116 ? 0.640 0.551 0.497 -0.001 -0.004 -0.007 115 ASN AAA CB  
4636 C CG  . ASN C 116 ? 0.648 0.602 0.500 0.012  0.007  -0.020 115 ASN AAA CG  
4637 O OD1 . ASN C 116 ? 0.632 0.628 0.499 0.008  0.016  -0.023 115 ASN AAA OD1 
4638 N ND2 . ASN C 116 ? 0.662 0.611 0.491 0.027  0.005  -0.031 115 ASN AAA ND2 
4639 N N   . ALA C 117 ? 0.621 0.551 0.499 -0.030 -0.004 0.006  116 ALA AAA N   
4640 C CA  . ALA C 117 ? 0.619 0.556 0.490 -0.050 -0.005 0.012  116 ALA AAA CA  
4641 C C   . ALA C 117 ? 0.596 0.593 0.472 -0.059 0.011  0.007  116 ALA AAA C   
4642 O O   . ALA C 117 ? 0.622 0.642 0.508 -0.065 0.013  0.008  116 ALA AAA O   
4643 C CB  . ALA C 117 ? 0.659 0.550 0.492 -0.072 -0.022 0.021  116 ALA AAA CB  
4644 N N   . GLU C 118 ? 0.621 0.648 0.486 -0.058 0.020  -0.000 117 GLU AAA N   
4645 C CA  . GLU C 118 ? 0.632 0.741 0.501 -0.063 0.036  -0.011 117 GLU AAA CA  
4646 C C   . GLU C 118 ? 0.588 0.728 0.489 -0.027 0.039  -0.025 117 GLU AAA C   
4647 O O   . GLU C 118 ? 0.592 0.790 0.508 -0.034 0.046  -0.029 117 GLU AAA O   
4648 C CB  . GLU C 118 ? 0.696 0.830 0.545 -0.060 0.043  -0.020 117 GLU AAA CB  
4649 C CG  . GLU C 118 ? 0.778 1.017 0.630 -0.063 0.060  -0.037 117 GLU AAA CG  
4650 C CD  . GLU C 118 ? 0.828 1.103 0.656 -0.060 0.068  -0.049 117 GLU AAA CD  
4651 O OE1 . GLU C 118 ? 0.870 1.078 0.680 -0.047 0.059  -0.047 117 GLU AAA OE1 
4652 O OE2 . GLU C 118 ? 0.890 1.269 0.717 -0.072 0.083  -0.062 117 GLU AAA OE2 
4653 N N   . GLU C 119 ? 0.620 0.692 0.639 -0.127 -0.020 0.011  118 GLU AAA N   
4654 C CA  . GLU C 119 ? 0.595 0.647 0.637 -0.118 -0.015 -0.005 118 GLU AAA CA  
4655 C C   . GLU C 119 ? 0.575 0.598 0.625 -0.118 -0.006 0.014  118 GLU AAA C   
4656 O O   . GLU C 119 ? 0.562 0.580 0.614 -0.116 0.001  0.010  118 GLU AAA O   
4657 C CB  . GLU C 119 ? 0.601 0.641 0.676 -0.112 -0.029 -0.021 118 GLU AAA CB  
4658 C CG  . GLU C 119 ? 0.624 0.687 0.690 -0.107 -0.045 -0.054 118 GLU AAA CG  
4659 C CD  . GLU C 119 ? 0.646 0.693 0.753 -0.104 -0.071 -0.067 118 GLU AAA CD  
4660 O OE1 . GLU C 119 ? 0.635 0.665 0.765 -0.110 -0.075 -0.040 118 GLU AAA OE1 
4661 O OE2 . GLU C 119 ? 0.661 0.710 0.783 -0.094 -0.089 -0.104 118 GLU AAA OE2 
4662 N N   . LEU C 120 ? 0.548 0.555 0.602 -0.119 -0.007 0.033  119 LEU AAA N   
4663 C CA  . LEU C 120 ? 0.531 0.511 0.584 -0.111 0.000  0.044  119 LEU AAA CA  
4664 C C   . LEU C 120 ? 0.525 0.501 0.562 -0.116 -0.002 0.046  119 LEU AAA C   
4665 O O   . LEU C 120 ? 0.549 0.507 0.579 -0.109 0.000  0.042  119 LEU AAA O   
4666 C CB  . LEU C 120 ? 0.540 0.508 0.605 -0.105 -0.000 0.059  119 LEU AAA CB  
4667 C CG  . LEU C 120 ? 0.550 0.497 0.610 -0.088 0.009  0.064  119 LEU AAA CG  
4668 C CD1 . LEU C 120 ? 0.550 0.503 0.623 -0.075 0.020  0.067  119 LEU AAA CD1 
4669 C CD2 . LEU C 120 ? 0.569 0.506 0.641 -0.081 0.008  0.077  119 LEU AAA CD2 
4670 N N   . ALA C 121 ? 0.529 0.523 0.562 -0.129 -0.008 0.056  120 ALA AAA N   
4671 C CA  . ALA C 121 ? 0.546 0.541 0.581 -0.138 -0.015 0.068  120 ALA AAA CA  
4672 C C   . ALA C 121 ? 0.534 0.540 0.567 -0.138 -0.009 0.058  120 ALA AAA C   
4673 O O   . ALA C 121 ? 0.531 0.519 0.571 -0.139 -0.016 0.060  120 ALA AAA O   
4674 C CB  . ALA C 121 ? 0.546 0.572 0.588 -0.152 -0.021 0.092  120 ALA AAA CB  
4675 N N   . PHE C 122 ? 0.543 0.578 0.572 -0.136 0.000  0.044  121 PHE AAA N   
4676 C CA  . PHE C 122 ? 0.544 0.595 0.580 -0.133 0.007  0.032  121 PHE AAA CA  
4677 C C   . PHE C 122 ? 0.535 0.551 0.577 -0.126 0.005  0.024  121 PHE AAA C   
4678 O O   . PHE C 122 ? 0.527 0.536 0.576 -0.128 0.001  0.027  121 PHE AAA O   
4679 C CB  . PHE C 122 ? 0.576 0.660 0.610 -0.126 0.014  0.011  121 PHE AAA CB  
4680 C CG  . PHE C 122 ? 0.594 0.697 0.641 -0.121 0.022  -0.001 121 PHE AAA CG  
4681 C CD1 . PHE C 122 ? 0.587 0.668 0.656 -0.115 0.021  -0.016 121 PHE AAA CD1 
4682 C CD2 . PHE C 122 ? 0.604 0.755 0.649 -0.122 0.032  0.008  121 PHE AAA CD2 
4683 C CE1 . PHE C 122 ? 0.591 0.690 0.681 -0.110 0.026  -0.025 121 PHE AAA CE1 
4684 C CE2 . PHE C 122 ? 0.597 0.771 0.663 -0.115 0.042  -0.002 121 PHE AAA CE2 
4685 C CZ  . PHE C 122 ? 0.591 0.735 0.679 -0.109 0.038  -0.021 121 PHE AAA CZ  
4686 N N   . THR C 123 ? 0.512 0.510 0.555 -0.117 0.006  0.018  122 THR AAA N   
4687 C CA  . THR C 123 ? 0.511 0.489 0.559 -0.107 0.008  0.018  122 THR AAA CA  
4688 C C   . THR C 123 ? 0.537 0.490 0.564 -0.103 0.001  0.024  122 THR AAA C   
4689 O O   . THR C 123 ? 0.567 0.512 0.589 -0.099 -0.003 0.022  122 THR AAA O   
4690 C CB  . THR C 123 ? 0.508 0.485 0.573 -0.098 0.012  0.021  122 THR AAA CB  
4691 O OG1 . THR C 123 ? 0.504 0.499 0.595 -0.101 0.009  0.007  122 THR AAA OG1 
4692 C CG2 . THR C 123 ? 0.503 0.473 0.573 -0.087 0.016  0.032  122 THR AAA CG2 
4693 N N   . ARG C 124 ? 0.561 0.500 0.577 -0.103 -0.004 0.029  123 ARG AAA N   
4694 C CA  . ARG C 124 ? 0.588 0.497 0.589 -0.096 -0.018 0.026  123 ARG AAA CA  
4695 C C   . ARG C 124 ? 0.593 0.500 0.603 -0.108 -0.034 0.026  123 ARG AAA C   
4696 O O   . ARG C 124 ? 0.619 0.502 0.616 -0.101 -0.048 0.017  123 ARG AAA O   
4697 C CB  . ARG C 124 ? 0.615 0.510 0.619 -0.096 -0.025 0.031  123 ARG AAA CB  
4698 C CG  . ARG C 124 ? 0.656 0.516 0.657 -0.090 -0.048 0.023  123 ARG AAA CG  
4699 C CD  . ARG C 124 ? 0.683 0.527 0.703 -0.089 -0.058 0.029  123 ARG AAA CD  
4700 N NE  . ARG C 124 ? 0.701 0.543 0.707 -0.067 -0.042 0.023  123 ARG AAA NE  
4701 C CZ  . ARG C 124 ? 0.724 0.546 0.702 -0.038 -0.039 0.003  123 ARG AAA CZ  
4702 N NH1 . ARG C 124 ? 0.767 0.565 0.723 -0.028 -0.058 -0.018 123 ARG AAA NH1 
4703 N NH2 . ARG C 124 ? 0.724 0.557 0.698 -0.018 -0.019 0.007  123 ARG AAA NH2 
4704 N N   . GLN C 125 ? 0.593 0.527 0.625 -0.125 -0.032 0.038  124 GLN AAA N   
4705 C CA  . GLN C 125 ? 0.634 0.576 0.691 -0.139 -0.045 0.050  124 GLN AAA CA  
4706 C C   . GLN C 125 ? 0.632 0.578 0.691 -0.136 -0.043 0.041  124 GLN AAA C   
4707 O O   . GLN C 125 ? 0.646 0.576 0.716 -0.140 -0.063 0.044  124 GLN AAA O   
4708 C CB  . GLN C 125 ? 0.663 0.651 0.741 -0.153 -0.036 0.071  124 GLN AAA CB  
4709 C CG  . GLN C 125 ? 0.716 0.731 0.830 -0.165 -0.042 0.092  124 GLN AAA CG  
4710 C CD  . GLN C 125 ? 0.780 0.849 0.913 -0.176 -0.032 0.123  124 GLN AAA CD  
4711 O OE1 . GLN C 125 ? 0.845 0.934 1.020 -0.190 -0.043 0.156  124 GLN AAA OE1 
4712 N NE2 . GLN C 125 ? 0.811 0.909 0.917 -0.170 -0.013 0.115  124 GLN AAA NE2 
4713 N N   . HIS C 126 ? 0.617 0.581 0.672 -0.129 -0.024 0.032  125 HIS AAA N   
4714 C CA  . HIS C 126 ? 0.594 0.572 0.668 -0.128 -0.021 0.029  125 HIS AAA CA  
4715 C C   . HIS C 126 ? 0.604 0.563 0.664 -0.116 -0.023 0.023  125 HIS AAA C   
4716 O O   . HIS C 126 ? 0.586 0.553 0.665 -0.116 -0.023 0.024  125 HIS AAA O   
4717 C CB  . HIS C 126 ? 0.563 0.581 0.656 -0.129 -0.003 0.023  125 HIS AAA CB  
4718 C CG  . HIS C 126 ? 0.562 0.614 0.666 -0.137 0.002  0.036  125 HIS AAA CG  
4719 N ND1 . HIS C 126 ? 0.579 0.649 0.713 -0.146 -0.002 0.053  125 HIS AAA ND1 
4720 C CD2 . HIS C 126 ? 0.569 0.650 0.663 -0.139 0.011  0.040  125 HIS AAA CD2 
4721 C CE1 . HIS C 126 ? 0.588 0.700 0.731 -0.151 0.007  0.071  125 HIS AAA CE1 
4722 N NE2 . HIS C 126 ? 0.596 0.717 0.711 -0.147 0.015  0.063  125 HIS AAA NE2 
4723 N N   . TYR C 127 ? 0.617 0.556 0.647 -0.104 -0.023 0.021  126 TYR AAA N   
4724 C CA  . TYR C 127 ? 0.611 0.545 0.623 -0.088 -0.020 0.023  126 TYR AAA CA  
4725 C C   . TYR C 127 ? 0.638 0.565 0.643 -0.087 -0.036 0.025  126 TYR AAA C   
4726 O O   . TYR C 127 ? 0.628 0.571 0.644 -0.082 -0.031 0.036  126 TYR AAA O   
4727 C CB  . TYR C 127 ? 0.624 0.541 0.601 -0.073 -0.018 0.020  126 TYR AAA CB  
4728 C CG  . TYR C 127 ? 0.641 0.566 0.594 -0.051 -0.010 0.028  126 TYR AAA CG  
4729 C CD1 . TYR C 127 ? 0.677 0.594 0.593 -0.037 -0.022 0.023  126 TYR AAA CD1 
4730 C CD2 . TYR C 127 ? 0.663 0.608 0.630 -0.042 0.010  0.043  126 TYR AAA CD2 
4731 C CE1 . TYR C 127 ? 0.719 0.656 0.606 -0.013 -0.011 0.035  126 TYR AAA CE1 
4732 C CE2 . TYR C 127 ? 0.694 0.659 0.646 -0.020 0.022  0.061  126 TYR AAA CE2 
4733 C CZ  . TYR C 127 ? 0.712 0.678 0.619 -0.004 0.014  0.058  126 TYR AAA CZ  
4734 O OH  . TYR C 127 ? 0.795 0.793 0.680 0.021  0.029  0.080  126 TYR AAA OH  
4735 N N   . PHE C 128 ? 0.655 0.561 0.650 -0.092 -0.059 0.018  127 PHE AAA N   
4736 C CA  . PHE C 128 ? 0.711 0.604 0.693 -0.090 -0.083 0.016  127 PHE AAA CA  
4737 C C   . PHE C 128 ? 0.682 0.592 0.714 -0.107 -0.089 0.028  127 PHE AAA C   
4738 O O   . PHE C 128 ? 0.714 0.618 0.744 -0.107 -0.109 0.031  127 PHE AAA O   
4739 C CB  . PHE C 128 ? 0.760 0.616 0.715 -0.085 -0.113 -0.000 127 PHE AAA CB  
4740 C CG  . PHE C 128 ? 0.808 0.648 0.714 -0.061 -0.108 -0.016 127 PHE AAA CG  
4741 C CD1 . PHE C 128 ? 0.865 0.707 0.718 -0.034 -0.108 -0.024 127 PHE AAA CD1 
4742 C CD2 . PHE C 128 ? 0.811 0.642 0.726 -0.062 -0.101 -0.020 127 PHE AAA CD2 
4743 C CE1 . PHE C 128 ? 0.891 0.727 0.701 -0.007 -0.098 -0.038 127 PHE AAA CE1 
4744 C CE2 . PHE C 128 ? 0.857 0.676 0.736 -0.038 -0.095 -0.034 127 PHE AAA CE2 
4745 C CZ  . PHE C 128 ? 0.875 0.698 0.701 -0.008 -0.091 -0.044 127 PHE AAA CZ  
4746 N N   . ASP C 129 ? 0.638 0.571 0.710 -0.120 -0.072 0.033  128 ASP AAA N   
4747 C CA  . ASP C 129 ? 0.629 0.584 0.753 -0.133 -0.074 0.043  128 ASP AAA CA  
4748 C C   . ASP C 129 ? 0.656 0.618 0.800 -0.131 -0.079 0.050  128 ASP AAA C   
4749 O O   . ASP C 129 ? 0.654 0.613 0.821 -0.140 -0.101 0.059  128 ASP AAA O   
4750 C CB  . ASP C 129 ? 0.575 0.565 0.727 -0.136 -0.047 0.042  128 ASP AAA CB  
4751 C CG  . ASP C 129 ? 0.566 0.564 0.714 -0.144 -0.044 0.048  128 ASP AAA CG  
4752 O OD1 . ASP C 129 ? 0.586 0.554 0.715 -0.147 -0.064 0.051  128 ASP AAA OD1 
4753 O OD2 . ASP C 129 ? 0.547 0.582 0.711 -0.144 -0.024 0.048  128 ASP AAA OD2 
4754 N N   A ARG C 130 ? 0.643 0.615 0.788 -0.121 -0.064 0.050  129 ARG AAA N   
4755 N N   B ARG C 130 ? 0.646 0.620 0.793 -0.122 -0.064 0.050  129 ARG AAA N   
4756 C CA  A ARG C 130 ? 0.660 0.645 0.838 -0.120 -0.069 0.063  129 ARG AAA CA  
4757 C CA  B ARG C 130 ? 0.667 0.653 0.846 -0.120 -0.069 0.063  129 ARG AAA CA  
4758 C C   A ARG C 130 ? 0.711 0.692 0.851 -0.107 -0.072 0.074  129 ARG AAA C   
4759 C C   B ARG C 130 ? 0.716 0.697 0.856 -0.107 -0.071 0.074  129 ARG AAA C   
4760 O O   A ARG C 130 ? 0.715 0.714 0.890 -0.104 -0.070 0.092  129 ARG AAA O   
4761 O O   B ARG C 130 ? 0.717 0.717 0.893 -0.104 -0.067 0.091  129 ARG AAA O   
4762 C CB  A ARG C 130 ? 0.621 0.631 0.860 -0.120 -0.051 0.059  129 ARG AAA CB  
4763 C CB  B ARG C 130 ? 0.637 0.647 0.875 -0.119 -0.051 0.059  129 ARG AAA CB  
4764 C CG  A ARG C 130 ? 0.611 0.640 0.880 -0.127 -0.043 0.049  129 ARG AAA CG  
4765 C CG  B ARG C 130 ? 0.630 0.659 0.899 -0.124 -0.040 0.047  129 ARG AAA CG  
4766 C CD  A ARG C 130 ? 0.607 0.662 0.934 -0.120 -0.029 0.037  129 ARG AAA CD  
4767 C CD  B ARG C 130 ? 0.637 0.688 0.975 -0.123 -0.038 0.048  129 ARG AAA CD  
4768 N NE  A ARG C 130 ? 0.604 0.662 0.984 -0.120 -0.040 0.050  129 ARG AAA NE  
4769 N NE  B ARG C 130 ? 0.626 0.703 0.996 -0.114 -0.018 0.025  129 ARG AAA NE  
4770 C CZ  A ARG C 130 ? 0.592 0.666 1.035 -0.112 -0.035 0.040  129 ARG AAA CZ  
4771 C CZ  B ARG C 130 ? 0.608 0.698 1.037 -0.104 -0.016 0.013  129 ARG AAA CZ  
4772 N NH1 A ARG C 130 ? 0.581 0.668 1.035 -0.101 -0.020 0.010  129 ARG AAA NH1 
4773 N NH1 B ARG C 130 ? 0.610 0.690 1.080 -0.107 -0.031 0.030  129 ARG AAA NH1 
4774 N NH2 A ARG C 130 ? 0.594 0.670 1.091 -0.114 -0.049 0.057  129 ARG AAA NH2 
4775 N NH2 B ARG C 130 ? 0.612 0.725 1.059 -0.091 -0.000 -0.017 129 ARG AAA NH2 
4776 N N   . LEU C 131 ? 0.768 0.730 0.844 -0.097 -0.077 0.066  130 LEU AAA N   
4777 C CA  . LEU C 131 ? 0.829 0.798 0.859 -0.077 -0.073 0.077  130 LEU AAA CA  
4778 C C   . LEU C 131 ? 0.854 0.838 0.884 -0.074 -0.089 0.099  130 LEU AAA C   
4779 O O   . LEU C 131 ? 0.884 0.897 0.914 -0.063 -0.078 0.125  130 LEU AAA O   
4780 C CB  . LEU C 131 ? 0.901 0.844 0.861 -0.063 -0.081 0.056  130 LEU AAA CB  
4781 C CG  . LEU C 131 ? 0.950 0.908 0.855 -0.036 -0.071 0.064  130 LEU AAA CG  
4782 C CD1 . LEU C 131 ? 0.927 0.913 0.864 -0.032 -0.039 0.085  130 LEU AAA CD1 
4783 C CD2 . LEU C 131 ? 1.011 0.941 0.850 -0.017 -0.083 0.033  130 LEU AAA CD2 
4784 N N   . MET C 132 ? 0.869 0.840 0.906 -0.085 -0.116 0.095  131 MET AAA N   
4785 C CA  . MET C 132 ? 0.900 0.882 0.927 -0.082 -0.140 0.114  131 MET AAA CA  
4786 C C   . MET C 132 ? 0.809 0.825 0.910 -0.090 -0.131 0.148  131 MET AAA C   
4787 O O   . MET C 132 ? 0.858 0.895 0.951 -0.084 -0.144 0.175  131 MET AAA O   
4788 C CB  . MET C 132 ? 0.966 0.923 0.998 -0.094 -0.176 0.102  131 MET AAA CB  
4789 C CG  . MET C 132 ? 1.078 0.997 1.041 -0.084 -0.200 0.070  131 MET AAA CG  
4790 S SD  . MET C 132 ? 1.247 1.172 1.103 -0.049 -0.210 0.062  131 MET AAA SD  
4791 C CE  . MET C 132 ? 1.291 1.204 1.130 -0.052 -0.266 0.062  131 MET AAA CE  
4792 N N   . GLU C 133 ? 1.144 0.803 1.142 -0.230 -0.096 0.242  132 GLU AAA N   
4793 C CA  . GLU C 133 ? 1.054 0.792 1.096 -0.189 -0.059 0.256  132 GLU AAA CA  
4794 C C   . GLU C 133 ? 1.051 0.730 1.030 -0.153 -0.026 0.190  132 GLU AAA C   
4795 O O   . GLU C 133 ? 1.031 0.741 1.024 -0.123 0.000  0.195  132 GLU AAA O   
4796 C CB  . GLU C 133 ? 1.001 0.826 1.108 -0.143 -0.015 0.300  132 GLU AAA CB  
4797 C CG  . GLU C 133 ? 1.001 0.920 1.205 -0.170 -0.037 0.393  132 GLU AAA CG  
4798 C CD  . GLU C 133 ? 0.974 0.982 1.231 -0.101 0.023  0.450  132 GLU AAA CD  
4799 O OE1 . GLU C 133 ? 0.981 1.008 1.220 -0.038 0.069  0.453  132 GLU AAA OE1 
4800 O OE2 . GLU C 133 ? 0.958 1.000 1.258 -0.100 0.029  0.489  132 GLU AAA OE2 
4801 N N   . TRP C 134 ? 1.057 0.658 0.974 -0.154 -0.024 0.142  133 TRP AAA N   
4802 C CA  . TRP C 134 ? 1.029 0.601 0.919 -0.124 0.007  0.101  133 TRP AAA CA  
4803 C C   . TRP C 134 ? 1.059 0.606 0.920 -0.125 0.004  0.097  133 TRP AAA C   
4804 O O   . TRP C 134 ? 1.041 0.604 0.922 -0.105 0.028  0.090  133 TRP AAA O   
4805 C CB  . TRP C 134 ? 1.027 0.552 0.880 -0.115 0.017  0.075  133 TRP AAA CB  
4806 C CG  . TRP C 134 ? 0.971 0.534 0.855 -0.098 0.031  0.072  133 TRP AAA CG  
4807 C CD1 . TRP C 134 ? 0.972 0.541 0.861 -0.100 0.027  0.086  133 TRP AAA CD1 
4808 C CD2 . TRP C 134 ? 0.923 0.511 0.826 -0.077 0.045  0.057  133 TRP AAA CD2 
4809 N NE1 . TRP C 134 ? 0.937 0.541 0.842 -0.073 0.044  0.080  133 TRP AAA NE1 
4810 C CE2 . TRP C 134 ? 0.920 0.526 0.825 -0.062 0.048  0.059  133 TRP AAA CE2 
4811 C CE3 . TRP C 134 ? 0.943 0.525 0.853 -0.074 0.049  0.045  133 TRP AAA CE3 
4812 C CZ2 . TRP C 134 ? 0.929 0.539 0.825 -0.044 0.047  0.044  133 TRP AAA CZ2 
4813 C CZ3 . TRP C 134 ? 0.946 0.527 0.855 -0.065 0.043  0.031  133 TRP AAA CZ3 
4814 C CH2 . TRP C 134 ? 0.949 0.538 0.842 -0.050 0.039  0.027  133 TRP AAA CH2 
4815 N N   . PRO C 135 ? 1.137 0.629 0.939 -0.148 -0.029 0.101  134 PRO AAA N   
4816 C CA  . PRO C 135 ? 1.190 0.654 0.949 -0.139 -0.030 0.099  134 PRO AAA CA  
4817 C C   . PRO C 135 ? 1.161 0.702 0.985 -0.131 -0.017 0.124  134 PRO AAA C   
4818 O O   . PRO C 135 ? 1.171 0.707 0.995 -0.105 0.014  0.116  134 PRO AAA O   
4819 C CB  . PRO C 135 ? 1.295 0.678 0.963 -0.174 -0.087 0.105  134 PRO AAA CB  
4820 C CG  . PRO C 135 ? 1.324 0.647 0.957 -0.186 -0.097 0.091  134 PRO AAA CG  
4821 C CD  . PRO C 135 ? 1.208 0.640 0.960 -0.182 -0.071 0.106  134 PRO AAA CD  
4822 N N   . ALA C 136 ? 1.152 0.765 1.036 -0.147 -0.035 0.165  135 ALA AAA N   
4823 C CA  . ALA C 136 ? 1.119 0.806 1.059 -0.124 -0.014 0.203  135 ALA AAA CA  
4824 C C   . ALA C 136 ? 1.108 0.782 1.056 -0.082 0.038  0.178  135 ALA AAA C   
4825 O O   . ALA C 136 ? 1.159 0.827 1.104 -0.058 0.063  0.182  135 ALA AAA O   
4826 C CB  . ALA C 136 ? 1.102 0.884 1.116 -0.137 -0.032 0.270  135 ALA AAA CB  
4827 N N   . LEU C 137 ? 1.085 0.743 1.033 -0.075 0.049  0.155  136 LEU AAA N   
4828 C CA  . LEU C 137 ? 1.089 0.711 1.023 -0.045 0.079  0.129  136 LEU AAA CA  
4829 C C   . LEU C 137 ? 1.103 0.677 1.024 -0.056 0.081  0.098  136 LEU AAA C   
4830 O O   . LEU C 137 ? 1.139 0.681 1.055 -0.042 0.098  0.095  136 LEU AAA O   
4831 C CB  . LEU C 137 ? 1.088 0.703 1.014 -0.039 0.078  0.112  136 LEU AAA CB  
4832 C CG  . LEU C 137 ? 1.132 0.685 1.019 -0.021 0.087  0.079  136 LEU AAA CG  
4833 C CD1 . LEU C 137 ? 1.206 0.721 1.054 0.021  0.112  0.093  136 LEU AAA CD1 
4834 C CD2 . LEU C 137 ? 1.155 0.702 1.022 -0.013 0.079  0.064  136 LEU AAA CD2 
4835 N N   . VAL C 138 ? 1.100 0.664 1.012 -0.073 0.070  0.086  137 VAL AAA N   
4836 C CA  . VAL C 138 ? 1.113 0.654 1.029 -0.072 0.083  0.079  137 VAL AAA CA  
4837 C C   . VAL C 138 ? 1.152 0.688 1.064 -0.061 0.097  0.097  137 VAL AAA C   
4838 O O   . VAL C 138 ? 1.167 0.692 1.108 -0.058 0.114  0.103  137 VAL AAA O   
4839 C CB  . VAL C 138 ? 1.115 0.642 1.005 -0.071 0.082  0.075  137 VAL AAA CB  
4840 C CG1 . VAL C 138 ? 1.125 0.647 1.025 -0.053 0.109  0.093  137 VAL AAA CG1 
4841 C CG2 . VAL C 138 ? 1.108 0.645 1.009 -0.077 0.074  0.063  137 VAL AAA CG2 
4842 N N   . ALA C 139 ? 1.179 0.725 1.063 -0.061 0.084  0.112  138 ALA AAA N   
4843 C CA  . ALA C 139 ? 1.221 0.772 1.096 -0.046 0.094  0.134  138 ALA AAA CA  
4844 C C   . ALA C 139 ? 1.225 0.782 1.137 -0.031 0.120  0.145  138 ALA AAA C   
4845 O O   . ALA C 139 ? 1.274 0.811 1.194 -0.018 0.143  0.155  138 ALA AAA O   
4846 C CB  . ALA C 139 ? 1.253 0.824 1.098 -0.059 0.059  0.155  138 ALA AAA CB  
4847 N N   . ASP C 140 ? 1.229 0.800 1.151 -0.024 0.120  0.148  139 ASP AAA N   
4848 C CA  . ASP C 140 ? 1.269 0.810 1.185 0.007  0.149  0.158  139 ASP AAA CA  
4849 C C   . ASP C 140 ? 1.319 0.778 1.224 -0.005 0.151  0.127  139 ASP AAA C   
4850 O O   . ASP C 140 ? 1.390 0.791 1.279 0.009  0.170  0.134  139 ASP AAA O   
4851 C CB  . ASP C 140 ? 1.285 0.848 1.191 0.034  0.157  0.177  139 ASP AAA CB  
4852 C CG  . ASP C 140 ? 1.258 0.924 1.205 0.037  0.148  0.232  139 ASP AAA CG  
4853 O OD1 . ASP C 140 ? 1.239 0.939 1.201 0.017  0.129  0.249  139 ASP AAA OD1 
4854 O OD2 . ASP C 140 ? 1.267 0.980 1.231 0.059  0.157  0.265  139 ASP AAA OD2 
4855 N N   . LEU C 141 ? 1.319 0.773 1.235 -0.033 0.128  0.101  140 LEU AAA N   
4856 C CA  . LEU C 141 ? 1.367 0.768 1.298 -0.061 0.112  0.085  140 LEU AAA CA  
4857 C C   . LEU C 141 ? 1.383 0.797 1.363 -0.072 0.127  0.112  140 LEU AAA C   
4858 O O   . LEU C 141 ? 1.421 0.781 1.418 -0.091 0.120  0.119  140 LEU AAA O   
4859 C CB  . LEU C 141 ? 1.339 0.768 1.288 -0.084 0.086  0.068  140 LEU AAA CB  
4860 C CG  . LEU C 141 ? 1.352 0.757 1.250 -0.073 0.071  0.044  140 LEU AAA CG  
4861 C CD1 . LEU C 141 ? 1.301 0.752 1.224 -0.090 0.052  0.036  140 LEU AAA CD1 
4862 C CD2 . LEU C 141 ? 1.462 0.757 1.295 -0.073 0.053  0.024  140 LEU AAA CD2 
4863 N N   . HIS C 142 ? 1.380 0.851 1.371 -0.058 0.142  0.130  141 HIS AAA N   
4864 C CA  . HIS C 142 ? 1.420 0.907 1.442 -0.047 0.169  0.165  141 HIS AAA CA  
4865 C C   . HIS C 142 ? 1.493 0.950 1.507 -0.031 0.190  0.182  141 HIS AAA C   
4866 O O   . HIS C 142 ? 1.505 0.948 1.564 -0.036 0.206  0.212  141 HIS AAA O   
4867 C CB  . HIS C 142 ? 1.433 0.950 1.415 -0.022 0.179  0.172  141 HIS AAA CB  
4868 C CG  . HIS C 142 ? 1.438 0.972 1.435 -0.019 0.184  0.182  141 HIS AAA CG  
4869 N ND1 . HIS C 142 ? 1.487 1.043 1.519 0.005  0.220  0.229  141 HIS AAA ND1 
4870 C CD2 . HIS C 142 ? 1.412 0.953 1.398 -0.028 0.167  0.162  141 HIS AAA CD2 
4871 C CE1 . HIS C 142 ? 1.472 1.051 1.513 0.015  0.227  0.241  141 HIS AAA CE1 
4872 N NE2 . HIS C 142 ? 1.437 1.002 1.447 -0.007 0.193  0.196  141 HIS AAA NE2 
4873 N N   . ARG C 143 ? 1.299 1.197 1.476 -0.023 0.034  0.085  142 ARG AAA N   
4874 C CA  . ARG C 143 ? 1.342 1.227 1.475 -0.017 0.016  0.074  142 ARG AAA CA  
4875 C C   . ARG C 143 ? 1.361 1.215 1.421 -0.017 0.015  0.092  142 ARG AAA C   
4876 O O   . ARG C 143 ? 1.372 1.203 1.380 -0.021 0.006  0.087  142 ARG AAA O   
4877 C CB  . ARG C 143 ? 1.370 1.270 1.558 -0.004 0.023  0.058  142 ARG AAA CB  
4878 C CG  . ARG C 143 ? 1.391 1.336 1.660 -0.003 0.017  0.015  142 ARG AAA CG  
4879 C CD  . ARG C 143 ? 1.414 1.389 1.774 0.003  0.030  -0.014 142 ARG AAA CD  
4880 N NE  . ARG C 143 ? 1.455 1.423 1.763 0.022  0.020  -0.011 142 ARG AAA NE  
4881 C CZ  . ARG C 143 ? 1.477 1.426 1.796 0.025  0.041  0.012  142 ARG AAA CZ  
4882 N NH1 . ARG C 143 ? 1.476 1.408 1.854 0.017  0.081  0.037  142 ARG AAA NH1 
4883 N NH2 . ARG C 143 ? 1.508 1.451 1.773 0.043  0.028  0.012  142 ARG AAA NH2 
4884 N N   . ALA C 144 ? 1.357 1.212 1.417 -0.008 0.028  0.111  143 ALA AAA N   
4885 C CA  . ALA C 144 ? 1.403 1.247 1.406 -0.002 0.025  0.116  143 ALA AAA CA  
4886 C C   . ALA C 144 ? 1.422 1.268 1.396 -0.023 0.014  0.100  143 ALA AAA C   
4887 O O   . ALA C 144 ? 1.453 1.276 1.392 -0.031 0.011  0.085  143 ALA AAA O   
4888 C CB  . ALA C 144 ? 1.407 1.272 1.416 0.025  0.041  0.137  143 ALA AAA CB  
4889 N N   . CYS C 145 ? 1.409 1.280 1.406 -0.031 0.014  0.099  144 CYS AAA N   
4890 C CA  . CYS C 145 ? 1.417 1.300 1.402 -0.052 0.008  0.080  144 CYS AAA CA  
4891 C C   . CYS C 145 ? 1.443 1.287 1.413 -0.073 0.010  0.071  144 CYS AAA C   
4892 O O   . CYS C 145 ? 1.442 1.267 1.396 -0.091 0.017  0.054  144 CYS AAA O   
4893 C CB  . CYS C 145 ? 1.399 1.322 1.411 -0.048 0.009  0.086  144 CYS AAA CB  
4894 S SG  . CYS C 145 ? 1.421 1.394 1.425 -0.058 0.000  0.057  144 CYS AAA SG  
4895 N N   . ARG C 146 ? 1.436 1.273 1.416 -0.065 0.008  0.079  145 ARG AAA N   
4896 C CA  . ARG C 146 ? 1.461 1.270 1.415 -0.064 0.013  0.079  145 ARG AAA CA  
4897 C C   . ARG C 146 ? 1.480 1.239 1.390 -0.053 0.025  0.085  145 ARG AAA C   
4898 O O   . ARG C 146 ? 1.518 1.234 1.397 -0.057 0.046  0.090  145 ARG AAA O   
4899 C CB  . ARG C 146 ? 1.470 1.309 1.449 -0.045 0.002  0.074  145 ARG AAA CB  
4900 C CG  . ARG C 146 ? 1.540 1.371 1.483 -0.026 0.005  0.075  145 ARG AAA CG  
4901 C CD  . ARG C 146 ? 1.557 1.431 1.517 0.009  -0.012 0.056  145 ARG AAA CD  
4902 N NE  . ARG C 146 ? 1.541 1.462 1.581 0.000  -0.025 0.032  145 ARG AAA NE  
4903 C CZ  . ARG C 146 ? 1.543 1.480 1.629 0.006  -0.028 0.018  145 ARG AAA CZ  
4904 N NH1 . ARG C 146 ? 1.577 1.493 1.627 0.022  -0.027 0.025  145 ARG AAA NH1 
4905 N NH2 . ARG C 146 ? 1.490 1.458 1.664 -0.005 -0.024 -0.001 145 ARG AAA NH2 
4906 N N   . GLU C 147 ? 1.432 1.191 1.342 -0.038 0.018  0.087  146 GLU AAA N   
4907 C CA  . GLU C 147 ? 1.464 1.178 1.332 -0.023 0.028  0.093  146 GLU AAA CA  
4908 C C   . GLU C 147 ? 1.517 1.206 1.377 -0.044 0.038  0.083  146 GLU AAA C   
4909 O O   . GLU C 147 ? 1.540 1.195 1.374 -0.033 0.045  0.084  146 GLU AAA O   
4910 C CB  . GLU C 147 ? 1.406 1.141 1.285 0.002  0.015  0.094  146 GLU AAA CB  
4911 C CG  . GLU C 147 ? 1.365 1.137 1.263 0.026  0.003  0.084  146 GLU AAA CG  
4912 C CD  . GLU C 147 ? 1.329 1.134 1.260 0.048  -0.006 0.071  146 GLU AAA CD  
4913 O OE1 . GLU C 147 ? 1.317 1.105 1.244 0.047  -0.001 0.080  146 GLU AAA OE1 
4914 O OE2 . GLU C 147 ? 1.280 1.136 1.250 0.066  -0.019 0.045  146 GLU AAA OE2 
4915 N N   . LYS C 148 ? 1.411 1.383 1.410 0.080  -0.040 -0.134 147 LYS AAA N   
4916 C CA  . LYS C 148 ? 1.418 1.364 1.443 0.100  -0.048 -0.122 147 LYS AAA CA  
4917 C C   . LYS C 148 ? 1.407 1.347 1.435 0.117  -0.065 -0.110 147 LYS AAA C   
4918 O O   . LYS C 148 ? 1.418 1.352 1.455 0.127  -0.074 -0.095 147 LYS AAA O   
4919 C CB  . LYS C 148 ? 1.454 1.403 1.479 0.099  -0.046 -0.109 147 LYS AAA CB  
4920 C CG  . LYS C 148 ? 1.506 1.460 1.522 0.080  -0.024 -0.122 147 LYS AAA CG  
4921 C CD  . LYS C 148 ? 1.536 1.497 1.542 0.076  -0.021 -0.104 147 LYS AAA CD  
4922 C CE  . LYS C 148 ? 1.559 1.552 1.532 0.068  -0.036 -0.082 147 LYS AAA CE  
4923 N NZ  . LYS C 148 ? 1.596 1.600 1.552 0.058  -0.028 -0.064 147 LYS AAA NZ  
4924 N N   . ARG C 149 ? 1.407 1.347 1.433 0.118  -0.065 -0.118 148 ARG AAA N   
4925 C CA  . ARG C 149 ? 1.391 1.320 1.421 0.132  -0.074 -0.110 148 ARG AAA CA  
4926 C C   . ARG C 149 ? 1.345 1.245 1.383 0.143  -0.077 -0.111 148 ARG AAA C   
4927 O O   . ARG C 149 ? 1.314 1.205 1.363 0.141  -0.073 -0.116 148 ARG AAA O   
4928 C CB  . ARG C 149 ? 1.429 1.364 1.457 0.128  -0.069 -0.119 148 ARG AAA CB  
4929 C CG  . ARG C 149 ? 1.477 1.446 1.498 0.113  -0.071 -0.120 148 ARG AAA CG  
4930 C CD  . ARG C 149 ? 1.495 1.470 1.523 0.111  -0.067 -0.129 148 ARG AAA CD  
4931 N NE  . ARG C 149 ? 1.501 1.473 1.543 0.124  -0.074 -0.114 148 ARG AAA NE  
4932 C CZ  . ARG C 149 ? 1.517 1.514 1.569 0.122  -0.086 -0.099 148 ARG AAA CZ  
4933 N NH1 . ARG C 149 ? 1.539 1.571 1.582 0.106  -0.097 -0.092 148 ARG AAA NH1 
4934 N NH2 . ARG C 149 ? 1.509 1.497 1.583 0.134  -0.086 -0.088 148 ARG AAA NH2 
4935 N N   . ASP C 150 ? 1.364 1.250 1.398 0.153  -0.083 -0.105 149 ASP AAA N   
4936 C CA  . ASP C 150 ? 1.375 1.237 1.407 0.160  -0.090 -0.106 149 ASP AAA CA  
4937 C C   . ASP C 150 ? 1.347 1.198 1.370 0.162  -0.087 -0.110 149 ASP AAA C   
4938 O O   . ASP C 150 ? 1.307 1.157 1.320 0.163  -0.080 -0.111 149 ASP AAA O   
4939 C CB  . ASP C 150 ? 1.400 1.252 1.429 0.166  -0.093 -0.104 149 ASP AAA CB  
4940 C CG  . ASP C 150 ? 1.435 1.265 1.456 0.167  -0.102 -0.109 149 ASP AAA CG  
4941 O OD1 . ASP C 150 ? 1.463 1.281 1.481 0.168  -0.100 -0.113 149 ASP AAA OD1 
4942 O OD2 . ASP C 150 ? 1.438 1.265 1.460 0.165  -0.111 -0.109 149 ASP AAA OD2 
4943 N N   . PRO C 151 ? 1.340 1.183 1.373 0.161  -0.091 -0.108 150 PRO AAA N   
4944 C CA  . PRO C 151 ? 1.358 1.190 1.386 0.164  -0.091 -0.104 150 PRO AAA CA  
4945 C C   . PRO C 151 ? 1.390 1.206 1.383 0.167  -0.094 -0.101 150 PRO AAA C   
4946 O O   . PRO C 151 ? 1.431 1.241 1.415 0.168  -0.086 -0.098 150 PRO AAA O   
4947 C CB  . PRO C 151 ? 1.350 1.177 1.400 0.164  -0.103 -0.095 150 PRO AAA CB  
4948 C CG  . PRO C 151 ? 1.340 1.178 1.417 0.160  -0.098 -0.101 150 PRO AAA CG  
4949 C CD  . PRO C 151 ? 1.330 1.175 1.387 0.159  -0.096 -0.107 150 PRO AAA CD  
4950 N N   . ALA C 152 ? 1.378 1.187 1.354 0.167  -0.102 -0.105 151 ALA AAA N   
4951 C CA  . ALA C 152 ? 1.397 1.188 1.337 0.166  -0.100 -0.110 151 ALA AAA CA  
4952 C C   . ALA C 152 ? 1.374 1.164 1.314 0.168  -0.081 -0.116 151 ALA AAA C   
4953 O O   . ALA C 152 ? 1.372 1.144 1.285 0.166  -0.072 -0.122 151 ALA AAA O   
4954 C CB  . ALA C 152 ? 1.420 1.203 1.351 0.162  -0.113 -0.116 151 ALA AAA CB  
4955 N N   . SER C 153 ? 1.166 0.983 1.287 0.087  -0.034 0.048  152 SER AAA N   
4956 C CA  . SER C 153 ? 1.199 1.031 1.320 0.092  -0.035 0.046  152 SER AAA CA  
4957 C C   . SER C 153 ? 1.243 1.087 1.370 0.088  -0.034 0.040  152 SER AAA C   
4958 O O   . SER C 153 ? 1.271 1.111 1.400 0.080  -0.031 0.038  152 SER AAA O   
4959 C CB  . SER C 153 ? 1.195 1.035 1.314 0.095  -0.036 0.046  152 SER AAA CB  
4960 O OG  . SER C 153 ? 1.182 1.027 1.304 0.087  -0.035 0.043  152 SER AAA OG  
4961 N N   . PRO C 154 ? 1.293 1.151 1.421 0.092  -0.035 0.037  153 PRO AAA N   
4962 C CA  . PRO C 154 ? 1.307 1.178 1.440 0.086  -0.033 0.031  153 PRO AAA CA  
4963 C C   . PRO C 154 ? 1.296 1.177 1.431 0.079  -0.031 0.027  153 PRO AAA C   
4964 O O   . PRO C 154 ? 1.274 1.157 1.412 0.071  -0.028 0.023  153 PRO AAA O   
4965 C CB  . PRO C 154 ? 1.303 1.190 1.435 0.094  -0.036 0.029  153 PRO AAA CB  
4966 C CG  . PRO C 154 ? 1.312 1.187 1.438 0.103  -0.038 0.035  153 PRO AAA CG  
4967 C CD  . PRO C 154 ? 1.311 1.173 1.434 0.102  -0.038 0.040  153 PRO AAA CD  
4968 N N   . GLU C 155 ? 1.277 1.163 1.410 0.081  -0.032 0.028  154 GLU AAA N   
4969 C CA  . GLU C 155 ? 1.272 1.168 1.407 0.075  -0.030 0.024  154 GLU AAA CA  
4970 C C   . GLU C 155 ? 1.237 1.116 1.371 0.068  -0.027 0.025  154 GLU AAA C   
4971 O O   . GLU C 155 ? 1.220 1.103 1.356 0.059  -0.024 0.021  154 GLU AAA O   
4972 C CB  . GLU C 155 ? 1.289 1.195 1.422 0.080  -0.033 0.025  154 GLU AAA CB  
4973 C CG  . GLU C 155 ? 1.325 1.250 1.457 0.089  -0.036 0.023  154 GLU AAA CG  
4974 C CD  . GLU C 155 ? 1.331 1.247 1.457 0.100  -0.039 0.029  154 GLU AAA CD  
4975 O OE1 . GLU C 155 ? 1.342 1.237 1.466 0.100  -0.039 0.034  154 GLU AAA OE1 
4976 O OE2 . GLU C 155 ? 1.331 1.262 1.456 0.109  -0.041 0.029  154 GLU AAA OE2 
4977 N N   . GLY C 156 ? 1.196 1.057 1.327 0.071  -0.028 0.032  155 GLY AAA N   
4978 C CA  . GLY C 156 ? 1.174 1.020 1.305 0.065  -0.026 0.034  155 GLY AAA CA  
4979 C C   . GLY C 156 ? 1.165 1.006 1.298 0.060  -0.022 0.032  155 GLY AAA C   
4980 O O   . GLY C 156 ? 1.166 1.000 1.298 0.054  -0.018 0.031  155 GLY AAA O   
4981 N N   . GLN C 157 ? 1.128 0.971 1.262 0.063  -0.023 0.031  156 GLN AAA N   
4982 C CA  . GLN C 157 ? 1.111 0.950 1.246 0.059  -0.020 0.029  156 GLN AAA CA  
4983 C C   . GLN C 157 ? 1.123 0.974 1.261 0.052  -0.016 0.022  156 GLN AAA C   
4984 O O   . GLN C 157 ? 1.098 0.941 1.235 0.047  -0.011 0.020  156 GLN AAA O   
4985 C CB  . GLN C 157 ? 1.085 0.923 1.221 0.064  -0.022 0.030  156 GLN AAA CB  
4986 C CG  . GLN C 157 ? 1.078 0.901 1.211 0.069  -0.024 0.036  156 GLN AAA CG  
4987 C CD  . GLN C 157 ? 1.075 0.885 1.207 0.064  -0.021 0.038  156 GLN AAA CD  
4988 O OE1 . GLN C 157 ? 1.042 0.848 1.175 0.062  -0.019 0.037  156 GLN AAA OE1 
4989 N NE2 . GLN C 157 ? 1.066 0.870 1.196 0.064  -0.021 0.041  156 GLN AAA NE2 
4990 N N   . GLN C 158 ? 1.135 1.002 1.274 0.053  -0.017 0.018  157 GLN AAA N   
4991 C CA  . GLN C 158 ? 1.154 1.034 1.294 0.045  -0.013 0.011  157 GLN AAA CA  
4992 C C   . GLN C 158 ? 1.131 1.003 1.269 0.038  -0.008 0.010  157 GLN AAA C   
4993 O O   . GLN C 158 ? 1.143 1.015 1.281 0.030  -0.002 0.005  157 GLN AAA O   
4994 C CB  . GLN C 158 ? 1.175 1.078 1.318 0.048  -0.016 0.007  157 GLN AAA CB  
4995 C CG  . GLN C 158 ? 1.221 1.138 1.366 0.051  -0.018 0.003  157 GLN AAA CG  
4996 C CD  . GLN C 158 ? 1.265 1.199 1.411 0.060  -0.023 0.004  157 GLN AAA CD  
4997 O OE1 . GLN C 158 ? 1.314 1.253 1.458 0.063  -0.025 0.005  157 GLN AAA OE1 
4998 N NE2 . GLN C 158 ? 1.276 1.216 1.423 0.065  -0.025 0.003  157 GLN AAA NE2 
4999 N N   . LEU C 159 ? 1.076 0.942 1.213 0.040  -0.010 0.014  158 LEU AAA N   
5000 C CA  . LEU C 159 ? 1.054 0.911 1.188 0.034  -0.006 0.014  158 LEU AAA CA  
5001 C C   . LEU C 159 ? 1.011 0.849 1.142 0.032  -0.002 0.017  158 LEU AAA C   
5002 O O   . LEU C 159 ? 1.003 0.836 1.132 0.025  0.004  0.014  158 LEU AAA O   
5003 C CB  . LEU C 159 ? 1.066 0.920 1.198 0.038  -0.010 0.019  158 LEU AAA CB  
5004 C CG  . LEU C 159 ? 1.090 0.963 1.224 0.040  -0.013 0.016  158 LEU AAA CG  
5005 C CD1 . LEU C 159 ? 1.111 0.979 1.243 0.043  -0.016 0.021  158 LEU AAA CD1 
5006 C CD2 . LEU C 159 ? 1.087 0.974 1.223 0.031  -0.008 0.008  158 LEU AAA CD2 
5007 N N   . ALA C 160 ? 0.947 0.776 1.078 0.038  -0.005 0.022  159 ALA AAA N   
5008 C CA  . ALA C 160 ? 0.936 0.749 1.065 0.038  -0.002 0.025  159 ALA AAA CA  
5009 C C   . ALA C 160 ? 0.925 0.739 1.053 0.033  0.004  0.021  159 ALA AAA C   
5010 O O   . ALA C 160 ? 0.910 0.711 1.034 0.029  0.010  0.021  159 ALA AAA O   
5011 C CB  . ALA C 160 ? 0.934 0.741 1.063 0.045  -0.007 0.031  159 ALA AAA CB  
5012 N N   . GLN C 161 ? 0.888 0.597 1.340 0.115  0.057  -0.022 160 GLN AAA N   
5013 C CA  . GLN C 161 ? 0.866 0.644 1.343 0.135  0.082  -0.041 160 GLN AAA CA  
5014 C C   . GLN C 161 ? 0.784 0.628 1.285 0.124  0.078  -0.016 160 GLN AAA C   
5015 O O   . GLN C 161 ? 0.747 0.644 1.253 0.115  0.098  -0.020 160 GLN AAA O   
5016 C CB  . GLN C 161 ? 0.915 0.691 1.435 0.183  0.089  -0.060 160 GLN AAA CB  
5017 C CG  . GLN C 161 ? 1.016 0.727 1.507 0.204  0.094  -0.099 160 GLN AAA CG  
5018 C CD  . GLN C 161 ? 1.037 0.781 1.493 0.210  0.125  -0.133 160 GLN AAA CD  
5019 O OE1 . GLN C 161 ? 0.994 0.808 1.447 0.193  0.146  -0.121 160 GLN AAA OE1 
5020 N NE2 . GLN C 161 ? 1.146 0.832 1.569 0.237  0.125  -0.176 160 GLN AAA NE2 
5021 N N   . ARG C 162 ? 0.761 0.596 1.274 0.126  0.050  0.010  161 ARG AAA N   
5022 C CA  . ARG C 162 ? 0.723 0.606 1.253 0.118  0.033  0.027  161 ARG AAA CA  
5023 C C   . ARG C 162 ? 0.703 0.591 1.179 0.087  0.036  0.031  161 ARG AAA C   
5024 O O   . ARG C 162 ? 0.661 0.591 1.150 0.077  0.037  0.029  161 ARG AAA O   
5025 C CB  . ARG C 162 ? 0.770 0.634 1.306 0.135  -0.004 0.050  161 ARG AAA CB  
5026 C CG  . ARG C 162 ? 0.799 0.684 1.408 0.169  -0.016 0.048  161 ARG AAA CG  
5027 C CD  . ARG C 162 ? 0.858 0.716 1.461 0.189  -0.058 0.072  161 ARG AAA CD  
5028 N NE  . ARG C 162 ? 0.877 0.757 1.452 0.176  -0.087 0.083  161 ARG AAA NE  
5029 C CZ  . ARG C 162 ? 0.924 0.776 1.448 0.187  -0.120 0.105  161 ARG AAA CZ  
5030 N NH1 . ARG C 162 ? 0.964 0.762 1.462 0.205  -0.129 0.128  161 ARG AAA NH1 
5031 N NH2 . ARG C 162 ? 0.909 0.781 1.399 0.181  -0.147 0.105  161 ARG AAA NH2 
5032 N N   . TRP C 163 ? 0.715 0.562 1.141 0.072  0.038  0.037  162 TRP AAA N   
5033 C CA  . TRP C 163 ? 0.677 0.537 1.059 0.046  0.044  0.039  162 TRP AAA CA  
5034 C C   . TRP C 163 ? 0.653 0.541 1.039 0.038  0.066  0.017  162 TRP AAA C   
5035 O O   . TRP C 163 ? 0.625 0.544 1.001 0.029  0.065  0.018  162 TRP AAA O   
5036 C CB  . TRP C 163 ? 0.733 0.557 1.083 0.029  0.046  0.053  162 TRP AAA CB  
5037 C CG  . TRP C 163 ? 0.729 0.580 1.051 0.006  0.056  0.050  162 TRP AAA CG  
5038 C CD1 . TRP C 163 ? 0.700 0.582 0.993 0.004  0.053  0.065  162 TRP AAA CD1 
5039 C CD2 . TRP C 163 ? 0.726 0.580 1.045 -0.009 0.069  0.027  162 TRP AAA CD2 
5040 N NE1 . TRP C 163 ? 0.691 0.598 0.972 -0.013 0.064  0.055  162 TRP AAA NE1 
5041 C CE2 . TRP C 163 ? 0.708 0.599 1.004 -0.023 0.072  0.033  162 TRP AAA CE2 
5042 C CE3 . TRP C 163 ? 0.740 0.570 1.067 -0.007 0.076  -0.000 162 TRP AAA CE3 
5043 C CZ2 . TRP C 163 ? 0.697 0.602 0.984 -0.038 0.077  0.015  162 TRP AAA CZ2 
5044 C CZ3 . TRP C 163 ? 0.759 0.600 1.067 -0.022 0.081  -0.020 162 TRP AAA CZ3 
5045 C CH2 . TRP C 163 ? 0.729 0.607 1.020 -0.039 0.080  -0.011 162 TRP AAA CH2 
5046 N N   . LEU C 164 ? 0.649 0.521 1.042 0.044  0.082  -0.004 163 LEU AAA N   
5047 C CA  . LEU C 164 ? 0.653 0.548 1.031 0.041  0.104  -0.024 163 LEU AAA CA  
5048 C C   . LEU C 164 ? 0.613 0.560 1.022 0.046  0.115  -0.015 163 LEU AAA C   
5049 O O   . LEU C 164 ? 0.607 0.576 0.994 0.032  0.122  -0.013 163 LEU AAA O   
5050 C CB  . LEU C 164 ? 0.707 0.573 1.080 0.060  0.117  -0.052 163 LEU AAA CB  
5051 C CG  . LEU C 164 ? 0.717 0.604 1.056 0.064  0.140  -0.075 163 LEU AAA CG  
5052 C CD1 . LEU C 164 ? 0.719 0.596 1.013 0.036  0.128  -0.079 163 LEU AAA CD1 
5053 C CD2 . LEU C 164 ? 0.791 0.650 1.118 0.096  0.152  -0.109 163 LEU AAA CD2 
5054 N N   . ALA C 165 ? 0.592 0.559 1.056 0.062  0.111  -0.006 164 ALA AAA N   
5055 C CA  . ALA C 165 ? 0.576 0.598 1.094 0.061  0.117  0.008  164 ALA AAA CA  
5056 C C   . ALA C 165 ? 0.532 0.556 1.040 0.039  0.091  0.021  164 ALA AAA C   
5057 O O   . ALA C 165 ? 0.548 0.598 1.066 0.025  0.100  0.030  164 ALA AAA O   
5058 C CB  . ALA C 165 ? 0.565 0.612 1.157 0.083  0.111  0.014  164 ALA AAA CB  
5059 N N   . LEU C 166 ? 0.520 0.516 1.005 0.039  0.060  0.024  165 LEU AAA N   
5060 C CA  . LEU C 166 ? 0.530 0.523 0.996 0.029  0.032  0.029  165 LEU AAA CA  
5061 C C   . LEU C 166 ? 0.543 0.529 0.954 0.016  0.045  0.024  165 LEU AAA C   
5062 O O   . LEU C 166 ? 0.520 0.514 0.936 0.007  0.036  0.027  165 LEU AAA O   
5063 C CB  . LEU C 166 ? 0.567 0.536 1.006 0.041  0.001  0.032  165 LEU AAA CB  
5064 C CG  . LEU C 166 ? 0.606 0.582 1.096 0.057  -0.028 0.038  165 LEU AAA CG  
5065 C CD1 . LEU C 166 ? 0.657 0.608 1.097 0.073  -0.062 0.042  165 LEU AAA CD1 
5066 C CD2 . LEU C 166 ? 0.598 0.606 1.158 0.047  -0.046 0.038  165 LEU AAA CD2 
5067 N N   . PHE C 167 ? 0.548 0.520 0.919 0.014  0.061  0.017  166 PHE AAA N   
5068 C CA  . PHE C 167 ? 0.543 0.516 0.871 0.003  0.071  0.011  166 PHE AAA CA  
5069 C C   . PHE C 167 ? 0.528 0.520 0.864 -0.002 0.088  0.010  166 PHE AAA C   
5070 O O   . PHE C 167 ? 0.520 0.516 0.837 -0.008 0.082  0.014  166 PHE AAA O   
5071 C CB  . PHE C 167 ? 0.551 0.508 0.857 -0.003 0.082  0.003  166 PHE AAA CB  
5072 C CG  . PHE C 167 ? 0.539 0.505 0.814 -0.015 0.088  -0.006 166 PHE AAA CG  
5073 C CD1 . PHE C 167 ? 0.528 0.511 0.782 -0.019 0.079  -0.001 166 PHE AAA CD1 
5074 C CD2 . PHE C 167 ? 0.555 0.519 0.817 -0.015 0.102  -0.023 166 PHE AAA CD2 
5075 C CE1 . PHE C 167 ? 0.510 0.508 0.743 -0.027 0.080  -0.009 166 PHE AAA CE1 
5076 C CE2 . PHE C 167 ? 0.573 0.546 0.803 -0.023 0.100  -0.032 166 PHE AAA CE2 
5077 C CZ  . PHE C 167 ? 0.538 0.530 0.760 -0.030 0.088  -0.024 166 PHE AAA CZ  
5078 N N   . GLN C 168 ? 0.536 0.537 0.891 0.004  0.111  0.007  167 GLN AAA N   
5079 C CA  . GLN C 168 ? 0.546 0.572 0.899 0.004  0.136  0.013  167 GLN AAA CA  
5080 C C   . GLN C 168 ? 0.517 0.563 0.915 -0.006 0.128  0.038  167 GLN AAA C   
5081 O O   . GLN C 168 ? 0.501 0.559 0.886 -0.013 0.141  0.053  167 GLN AAA O   
5082 C CB  . GLN C 168 ? 0.568 0.608 0.931 0.022  0.166  0.002  167 GLN AAA CB  
5083 C CG  . GLN C 168 ? 0.606 0.614 0.916 0.030  0.169  -0.028 167 GLN AAA CG  
5084 C CD  . GLN C 168 ? 0.655 0.668 0.964 0.058  0.195  -0.047 167 GLN AAA CD  
5085 O OE1 . GLN C 168 ? 0.689 0.731 1.052 0.074  0.211  -0.037 167 GLN AAA OE1 
5086 N NE2 . GLN C 168 ? 0.717 0.703 0.968 0.067  0.197  -0.077 167 GLN AAA NE2 
5087 N N   . SER C 169 ? 0.508 0.552 0.954 -0.008 0.102  0.044  168 SER AAA N   
5088 C CA  . SER C 169 ? 0.533 0.586 1.032 -0.022 0.082  0.065  168 SER AAA CA  
5089 C C   . SER C 169 ? 0.542 0.565 0.998 -0.031 0.061  0.066  168 SER AAA C   
5090 O O   . SER C 169 ? 0.593 0.615 1.083 -0.046 0.053  0.087  168 SER AAA O   
5091 C CB  . SER C 169 ? 0.529 0.583 1.085 -0.020 0.047  0.064  168 SER AAA CB  
5092 O OG  . SER C 169 ? 0.565 0.580 1.076 -0.012 0.010  0.047  168 SER AAA OG  
5093 N N   . TYR C 170 ? 0.509 0.509 0.899 -0.021 0.052  0.046  169 TYR AAA N   
5094 C CA  . TYR C 170 ? 0.537 0.515 0.887 -0.020 0.033  0.044  169 TYR AAA CA  
5095 C C   . TYR C 170 ? 0.537 0.523 0.834 -0.018 0.056  0.041  169 TYR AAA C   
5096 O O   . TYR C 170 ? 0.594 0.569 0.869 -0.017 0.047  0.048  169 TYR AAA O   
5097 C CB  . TYR C 170 ? 0.544 0.501 0.869 -0.004 -0.001 0.026  169 TYR AAA CB  
5098 C CG  . TYR C 170 ? 0.537 0.505 0.820 0.007  0.010  0.013  169 TYR AAA CG  
5099 C CD1 . TYR C 170 ? 0.532 0.513 0.777 0.009  0.024  0.008  169 TYR AAA CD1 
5100 C CD2 . TYR C 170 ? 0.571 0.538 0.858 0.014  0.004  0.010  169 TYR AAA CD2 
5101 C CE1 . TYR C 170 ? 0.546 0.543 0.769 0.012  0.033  0.004  169 TYR AAA CE1 
5102 C CE2 . TYR C 170 ? 0.567 0.543 0.823 0.020  0.015  0.009  169 TYR AAA CE2 
5103 C CZ  . TYR C 170 ? 0.553 0.546 0.782 0.016  0.031  0.007  169 TYR AAA CZ  
5104 O OH  . TYR C 170 ? 0.614 0.621 0.828 0.015  0.042  0.013  169 TYR AAA OH  
5105 N N   . ALA C 171 ? 0.521 0.521 0.799 -0.015 0.078  0.029  170 ALA AAA N   
5106 C CA  . ALA C 171 ? 0.560 0.568 0.793 -0.014 0.092  0.021  170 ALA AAA CA  
5107 C C   . ALA C 171 ? 0.626 0.647 0.861 -0.015 0.120  0.033  170 ALA AAA C   
5108 O O   . ALA C 171 ? 0.670 0.702 0.956 -0.017 0.129  0.047  170 ALA AAA O   
5109 C CB  . ALA C 171 ? 0.537 0.545 0.757 -0.014 0.094  0.001  170 ALA AAA CB  
5110 N N   . GLY C 172 ? 0.695 0.724 0.882 -0.009 0.136  0.029  171 GLY AAA N   
5111 C CA  . GLY C 172 ? 0.744 0.795 0.931 -0.001 0.171  0.041  171 GLY AAA CA  
5112 C C   . GLY C 172 ? 0.726 0.781 0.925 0.012  0.188  0.016  171 GLY AAA C   
5113 O O   . GLY C 172 ? 0.676 0.711 0.895 0.008  0.170  -0.002 171 GLY AAA O   
5114 N N   . LYS C 173 ? 0.781 0.857 0.954 0.031  0.221  0.014  172 LYS AAA N   
5115 C CA  . LYS C 173 ? 0.809 0.876 0.965 0.054  0.234  -0.023 172 LYS AAA CA  
5116 C C   . LYS C 173 ? 0.826 0.870 0.895 0.066  0.224  -0.057 172 LYS AAA C   
5117 O O   . LYS C 173 ? 0.894 0.923 0.934 0.090  0.232  -0.092 172 LYS AAA O   
5118 C CB  . LYS C 173 ? 0.858 0.970 1.046 0.076  0.277  -0.008 172 LYS AAA CB  
5119 C CG  . LYS C 173 ? 0.830 0.967 1.119 0.064  0.277  0.019  172 LYS AAA CG  
5120 C CD  . LYS C 173 ? 0.893 1.093 1.232 0.086  0.323  0.037  172 LYS AAA CD  
5121 C CE  . LYS C 173 ? 0.891 1.107 1.323 0.091  0.315  0.036  172 LYS AAA CE  
5122 N NZ  . LYS C 173 ? 0.846 1.042 1.334 0.058  0.272  0.053  172 LYS AAA NZ  
5123 N N   . ASP C 174 ? 0.790 0.829 0.821 0.053  0.203  -0.050 173 ASP AAA N   
5124 C CA  . ASP C 174 ? 0.857 0.879 0.809 0.063  0.184  -0.081 173 ASP AAA CA  
5125 C C   . ASP C 174 ? 0.823 0.811 0.794 0.046  0.146  -0.115 173 ASP AAA C   
5126 O O   . ASP C 174 ? 0.737 0.725 0.756 0.022  0.128  -0.100 173 ASP AAA O   
5127 C CB  . ASP C 174 ? 0.887 0.925 0.800 0.058  0.176  -0.054 173 ASP AAA CB  
5128 C CG  . ASP C 174 ? 0.981 1.008 0.810 0.072  0.152  -0.084 173 ASP AAA CG  
5129 O OD1 . ASP C 174 ? 0.987 1.001 0.828 0.056  0.112  -0.106 173 ASP AAA OD1 
5130 O OD2 . ASP C 174 ? 1.078 1.116 0.832 0.100  0.172  -0.084 173 ASP AAA OD2 
5131 N N   . ALA C 175 ? 0.883 0.839 0.816 0.060  0.134  -0.159 174 ALA AAA N   
5132 C CA  . ALA C 175 ? 0.896 0.812 0.856 0.040  0.096  -0.190 174 ALA AAA CA  
5133 C C   . ALA C 175 ? 0.864 0.795 0.833 0.013  0.062  -0.183 174 ALA AAA C   
5134 O O   . ALA C 175 ? 0.824 0.749 0.851 -0.015 0.044  -0.176 174 ALA AAA O   
5135 C CB  . ALA C 175 ? 0.980 0.850 0.890 0.064  0.083  -0.243 174 ALA AAA CB  
5136 N N   . GLN C 176 ? 0.909 0.864 0.824 0.022  0.055  -0.180 175 GLN AAA N   
5137 C CA  . GLN C 176 ? 0.905 0.885 0.831 0.004  0.020  -0.176 175 GLN AAA CA  
5138 C C   . GLN C 176 ? 0.804 0.814 0.788 -0.011 0.030  -0.134 175 GLN AAA C   
5139 O O   . GLN C 176 ? 0.758 0.787 0.791 -0.032 0.009  -0.131 175 GLN AAA O   
5140 C CB  . GLN C 176 ? 1.001 0.994 0.845 0.027  0.008  -0.183 175 GLN AAA CB  
5141 C CG  . GLN C 176 ? 1.047 1.064 0.904 0.012  -0.040 -0.191 175 GLN AAA CG  
5142 C CD  . GLN C 176 ? 1.127 1.165 0.915 0.035  -0.050 -0.178 175 GLN AAA CD  
5143 O OE1 . GLN C 176 ? 1.242 1.268 0.943 0.064  -0.037 -0.183 175 GLN AAA OE1 
5144 N NE2 . GLN C 176 ? 1.102 1.177 0.928 0.027  -0.072 -0.158 175 GLN AAA NE2 
5145 N N   . THR C 177 ? 0.581 0.654 0.666 -0.011 0.076  -0.089 176 THR AAA N   
5146 C CA  . THR C 177 ? 0.558 0.609 0.653 -0.006 0.067  -0.064 176 THR AAA CA  
5147 C C   . THR C 177 ? 0.539 0.567 0.660 0.001  0.049  -0.068 176 THR AAA C   
5148 O O   . THR C 177 ? 0.538 0.553 0.649 0.001  0.038  -0.051 176 THR AAA O   
5149 C CB  . THR C 177 ? 0.554 0.606 0.663 -0.010 0.084  -0.061 176 THR AAA CB  
5150 O OG1 . THR C 177 ? 0.593 0.654 0.663 -0.019 0.104  -0.050 176 THR AAA OG1 
5151 C CG2 . THR C 177 ? 0.531 0.564 0.651 -0.009 0.077  -0.045 176 THR AAA CG2 
5152 N N   . GLN C 178 ? 0.551 0.573 0.705 0.007  0.048  -0.088 177 GLN AAA N   
5153 C CA  . GLN C 178 ? 0.585 0.574 0.756 0.017  0.029  -0.082 177 GLN AAA CA  
5154 C C   . GLN C 178 ? 0.587 0.554 0.731 0.005  0.025  -0.075 177 GLN AAA C   
5155 O O   . GLN C 178 ? 0.594 0.535 0.726 0.004  0.013  -0.056 177 GLN AAA O   
5156 C CB  . GLN C 178 ? 0.622 0.602 0.837 0.032  0.028  -0.104 177 GLN AAA CB  
5157 C CG  . GLN C 178 ? 0.643 0.577 0.866 0.047  0.007  -0.088 177 GLN AAA CG  
5158 C CD  . GLN C 178 ? 0.685 0.605 0.960 0.073  0.003  -0.107 177 GLN AAA CD  
5159 O OE1 . GLN C 178 ? 0.691 0.654 1.010 0.085  0.008  -0.130 177 GLN AAA OE1 
5160 N NE2 . GLN C 178 ? 0.736 0.595 1.011 0.081  -0.004 -0.099 177 GLN AAA NE2 
5161 N N   . GLN C 179 ? 0.591 0.573 0.723 -0.007 0.035  -0.093 178 GLN AAA N   
5162 C CA  . GLN C 179 ? 0.641 0.616 0.757 -0.023 0.034  -0.096 178 GLN AAA CA  
5163 C C   . GLN C 179 ? 0.592 0.586 0.686 -0.026 0.027  -0.073 178 GLN AAA C   
5164 O O   . GLN C 179 ? 0.632 0.614 0.721 -0.039 0.026  -0.069 178 GLN AAA O   
5165 C CB  . GLN C 179 ? 0.659 0.668 0.769 -0.037 0.044  -0.127 178 GLN AAA CB  
5166 C CG  . GLN C 179 ? 0.702 0.693 0.837 -0.037 0.056  -0.161 178 GLN AAA CG  
5167 C CD  . GLN C 179 ? 0.714 0.754 0.836 -0.052 0.067  -0.199 178 GLN AAA CD  
5168 O OE1 . GLN C 179 ? 0.702 0.796 0.790 -0.054 0.064  -0.192 178 GLN AAA OE1 
5169 N NE2 . GLN C 179 ? 0.735 0.757 0.883 -0.061 0.080  -0.240 178 GLN AAA NE2 
5170 N N   . LYS C 180 ? 0.580 0.598 0.666 -0.016 0.027  -0.061 179 LYS AAA N   
5171 C CA  . LYS C 180 ? 0.558 0.589 0.633 -0.013 0.023  -0.043 179 LYS AAA CA  
5172 C C   . LYS C 180 ? 0.559 0.563 0.639 -0.014 0.019  -0.031 179 LYS AAA C   
5173 O O   . LYS C 180 ? 0.569 0.580 0.643 -0.021 0.018  -0.028 179 LYS AAA O   
5174 C CB  . LYS C 180 ? 0.574 0.620 0.638 -0.001 0.027  -0.030 179 LYS AAA CB  
5175 C CG  . LYS C 180 ? 0.610 0.689 0.653 0.001  0.029  -0.035 179 LYS AAA CG  
5176 C CD  . LYS C 180 ? 0.650 0.732 0.670 0.015  0.031  -0.010 179 LYS AAA CD  
5177 C CE  . LYS C 180 ? 0.708 0.817 0.691 0.016  0.035  -0.008 179 LYS AAA CE  
5178 N NZ  . LYS C 180 ? 0.777 0.874 0.731 0.032  0.037  0.029  179 LYS AAA NZ  
5179 N N   . PHE C 181 ? 0.551 0.535 0.641 -0.008 0.015  -0.029 180 PHE AAA N   
5180 C CA  . PHE C 181 ? 0.570 0.537 0.657 -0.009 0.006  -0.018 180 PHE AAA CA  
5181 C C   . PHE C 181 ? 0.592 0.531 0.662 -0.019 0.002  -0.012 180 PHE AAA C   
5182 O O   . PHE C 181 ? 0.601 0.537 0.649 -0.030 0.001  -0.002 180 PHE AAA O   
5183 C CB  . PHE C 181 ? 0.573 0.541 0.682 0.003  -0.002 -0.021 180 PHE AAA CB  
5184 C CG  . PHE C 181 ? 0.547 0.537 0.669 0.003  0.007  -0.026 180 PHE AAA CG  
5185 C CD1 . PHE C 181 ? 0.543 0.539 0.661 -0.003 0.003  -0.025 180 PHE AAA CD1 
5186 C CD2 . PHE C 181 ? 0.528 0.530 0.663 0.003  0.022  -0.034 180 PHE AAA CD2 
5187 C CE1 . PHE C 181 ? 0.551 0.558 0.686 -0.008 0.015  -0.035 180 PHE AAA CE1 
5188 C CE2 . PHE C 181 ? 0.531 0.539 0.676 -0.003 0.035  -0.036 180 PHE AAA CE2 
5189 C CZ  . PHE C 181 ? 0.546 0.553 0.695 -0.009 0.033  -0.038 180 PHE AAA CZ  
5190 N N   . ARG C 182 ? 0.609 0.526 0.687 -0.020 0.004  -0.019 181 ARG AAA N   
5191 C CA  . ARG C 182 ? 0.651 0.525 0.713 -0.036 0.008  -0.013 181 ARG AAA CA  
5192 C C   . ARG C 182 ? 0.644 0.543 0.691 -0.061 0.020  -0.018 181 ARG AAA C   
5193 O O   . ARG C 182 ? 0.667 0.546 0.688 -0.077 0.023  -0.004 181 ARG AAA O   
5194 C CB  . ARG C 182 ? 0.671 0.519 0.754 -0.036 0.015  -0.032 181 ARG AAA CB  
5195 C CG  . ARG C 182 ? 0.734 0.518 0.804 -0.054 0.023  -0.024 181 ARG AAA CG  
5196 C CD  . ARG C 182 ? 0.752 0.518 0.849 -0.064 0.037  -0.056 181 ARG AAA CD  
5197 N NE  . ARG C 182 ? 0.813 0.518 0.897 -0.093 0.053  -0.053 181 ARG AAA NE  
5198 C CZ  . ARG C 182 ? 0.834 0.488 0.940 -0.104 0.068  -0.076 181 ARG AAA CZ  
5199 N NH1 . ARG C 182 ? 0.808 0.471 0.951 -0.087 0.069  -0.108 181 ARG AAA NH1 
5200 N NH2 . ARG C 182 ? 0.916 0.506 1.008 -0.136 0.087  -0.070 181 ARG AAA NH2 
5201 N N   . TYR C 183 ? 0.616 0.562 0.678 -0.063 0.025  -0.038 182 TYR AAA N   
5202 C CA  . TYR C 183 ? 0.625 0.614 0.689 -0.080 0.033  -0.051 182 TYR AAA CA  
5203 C C   . TYR C 183 ? 0.610 0.612 0.663 -0.079 0.034  -0.039 182 TYR AAA C   
5204 O O   . TYR C 183 ? 0.630 0.639 0.676 -0.102 0.046  -0.043 182 TYR AAA O   
5205 C CB  . TYR C 183 ? 0.605 0.650 0.684 -0.070 0.029  -0.069 182 TYR AAA CB  
5206 C CG  . TYR C 183 ? 0.628 0.732 0.722 -0.083 0.032  -0.087 182 TYR AAA CG  
5207 C CD1 . TYR C 183 ? 0.659 0.766 0.761 -0.117 0.045  -0.107 182 TYR AAA CD1 
5208 C CD2 . TYR C 183 ? 0.598 0.755 0.703 -0.060 0.022  -0.085 182 TYR AAA CD2 
5209 C CE1 . TYR C 183 ? 0.674 0.851 0.801 -0.130 0.049  -0.131 182 TYR AAA CE1 
5210 C CE2 . TYR C 183 ? 0.599 0.822 0.729 -0.064 0.021  -0.105 182 TYR AAA CE2 
5211 C CZ  . TYR C 183 ? 0.642 0.883 0.786 -0.100 0.034  -0.131 182 TYR AAA CZ  
5212 O OH  . TYR C 183 ? 0.658 0.980 0.838 -0.106 0.033  -0.158 182 TYR AAA OH  
5213 N N   . ALA C 184 ? 0.572 0.578 0.627 -0.057 0.026  -0.029 183 ALA AAA N   
5214 C CA  . ALA C 184 ? 0.572 0.588 0.621 -0.056 0.029  -0.026 183 ALA AAA CA  
5215 C C   . ALA C 184 ? 0.620 0.610 0.637 -0.076 0.032  -0.016 183 ALA AAA C   
5216 O O   . ALA C 184 ? 0.646 0.658 0.654 -0.092 0.044  -0.023 183 ALA AAA O   
5217 C CB  . ALA C 184 ? 0.549 0.560 0.606 -0.036 0.023  -0.021 183 ALA AAA CB  
5218 N N   A MET C 185 ? 0.664 0.611 0.663 -0.073 0.021  0.002  184 MET AAA N   
5219 N N   B MET C 185 ? 0.663 0.611 0.662 -0.073 0.021  0.002  184 MET AAA N   
5220 C CA  A MET C 185 ? 0.735 0.649 0.690 -0.087 0.018  0.023  184 MET AAA CA  
5221 C CA  B MET C 185 ? 0.735 0.648 0.691 -0.087 0.018  0.024  184 MET AAA CA  
5222 C C   A MET C 185 ? 0.759 0.658 0.694 -0.120 0.040  0.023  184 MET AAA C   
5223 C C   B MET C 185 ? 0.759 0.656 0.694 -0.120 0.039  0.025  184 MET AAA C   
5224 O O   A MET C 185 ? 0.786 0.688 0.683 -0.142 0.051  0.031  184 MET AAA O   
5225 O O   B MET C 185 ? 0.788 0.680 0.680 -0.141 0.048  0.036  184 MET AAA O   
5226 C CB  A MET C 185 ? 0.800 0.666 0.748 -0.069 -0.001 0.045  184 MET AAA CB  
5227 C CB  B MET C 185 ? 0.799 0.665 0.751 -0.068 -0.001 0.043  184 MET AAA CB  
5228 C CG  A MET C 185 ? 0.896 0.703 0.825 -0.084 0.007  0.061  184 MET AAA CG  
5229 C CG  B MET C 185 ? 0.823 0.704 0.777 -0.046 -0.023 0.050  184 MET AAA CG  
5230 S SD  A MET C 185 ? 1.000 0.739 0.891 -0.064 -0.017 0.103  184 MET AAA SD  
5231 S SD  B MET C 185 ? 0.916 0.742 0.863 -0.022 -0.048 0.078  184 MET AAA SD  
5232 C CE  A MET C 185 ? 0.979 0.774 0.842 -0.056 -0.037 0.109  184 MET AAA CE  
5233 C CE  B MET C 185 ? 0.921 0.706 0.898 -0.028 -0.028 0.066  184 MET AAA CE  
5234 N N   . GLU C 186 ? 0.754 0.646 0.715 -0.128 0.048  0.011  185 GLU AAA N   
5235 C CA  . GLU C 186 ? 0.806 0.688 0.760 -0.166 0.073  0.002  185 GLU AAA CA  
5236 C C   . GLU C 186 ? 0.767 0.718 0.733 -0.184 0.090  -0.021 185 GLU AAA C   
5237 O O   . GLU C 186 ? 0.822 0.767 0.761 -0.220 0.113  -0.019 185 GLU AAA O   
5238 C CB  . GLU C 186 ? 0.804 0.684 0.795 -0.170 0.077  -0.021 185 GLU AAA CB  
5239 C CG  . GLU C 186 ? 0.867 0.667 0.850 -0.161 0.070  -0.003 185 GLU AAA CG  
5240 C CD  . GLU C 186 ? 0.872 0.671 0.894 -0.159 0.073  -0.033 185 GLU AAA CD  
5241 O OE1 . GLU C 186 ? 0.808 0.679 0.858 -0.162 0.074  -0.066 185 GLU AAA OE1 
5242 O OE2 . GLU C 186 ? 0.917 0.644 0.939 -0.151 0.072  -0.025 185 GLU AAA OE2 
5243 N N   . GLN C 187 ? 0.680 0.692 0.684 -0.159 0.081  -0.041 186 GLN AAA N   
5244 C CA  . GLN C 187 ? 0.652 0.737 0.687 -0.166 0.094  -0.070 186 GLN AAA CA  
5245 C C   . GLN C 187 ? 0.659 0.755 0.675 -0.165 0.101  -0.069 186 GLN AAA C   
5246 O O   . GLN C 187 ? 0.658 0.808 0.695 -0.179 0.121  -0.095 186 GLN AAA O   
5247 C CB  . GLN C 187 ? 0.590 0.726 0.673 -0.133 0.079  -0.086 186 GLN AAA CB  
5248 C CG  . GLN C 187 ? 0.582 0.736 0.686 -0.138 0.074  -0.101 186 GLN AAA CG  
5249 C CD  . GLN C 187 ? 0.610 0.793 0.729 -0.181 0.096  -0.127 186 GLN AAA CD  
5250 O OE1 . GLN C 187 ? 0.593 0.840 0.741 -0.191 0.108  -0.151 186 GLN AAA OE1 
5251 N NE2 . GLN C 187 ? 0.658 0.791 0.761 -0.208 0.104  -0.125 186 GLN AAA NE2 
5252 N N   A GLU C 188 ? 0.664 0.722 0.649 -0.149 0.086  -0.047 187 GLU AAA N   
5253 N N   B GLU C 188 ? 0.681 0.741 0.667 -0.149 0.086  -0.047 187 GLU AAA N   
5254 C CA  A GLU C 188 ? 0.668 0.744 0.640 -0.145 0.090  -0.055 187 GLU AAA CA  
5255 C CA  B GLU C 188 ? 0.697 0.776 0.671 -0.145 0.091  -0.057 187 GLU AAA CA  
5256 C C   A GLU C 188 ? 0.736 0.772 0.643 -0.159 0.083  -0.029 187 GLU AAA C   
5257 C C   B GLU C 188 ? 0.749 0.790 0.658 -0.159 0.084  -0.031 187 GLU AAA C   
5258 O O   A GLU C 188 ? 0.729 0.746 0.628 -0.138 0.060  -0.015 187 GLU AAA O   
5259 O O   B GLU C 188 ? 0.731 0.755 0.633 -0.139 0.062  -0.020 187 GLU AAA O   
5260 C CB  A GLU C 188 ? 0.609 0.693 0.618 -0.109 0.075  -0.062 187 GLU AAA CB  
5261 C CB  B GLU C 188 ? 0.660 0.750 0.673 -0.109 0.077  -0.065 187 GLU AAA CB  
5262 C CG  A GLU C 188 ? 0.567 0.684 0.629 -0.088 0.076  -0.077 187 GLU AAA CG  
5263 C CG  B GLU C 188 ? 0.676 0.805 0.714 -0.105 0.093  -0.095 187 GLU AAA CG  
5264 C CD  A GLU C 188 ? 0.562 0.733 0.660 -0.087 0.094  -0.108 187 GLU AAA CD  
5265 C CD  B GLU C 188 ? 0.653 0.823 0.752 -0.083 0.098  -0.116 187 GLU AAA CD  
5266 O OE1 A GLU C 188 ? 0.567 0.753 0.646 -0.112 0.113  -0.123 187 GLU AAA OE1 
5267 O OE1 B GLU C 188 ? 0.632 0.812 0.748 -0.076 0.089  -0.109 187 GLU AAA OE1 
5268 O OE2 A GLU C 188 ? 0.548 0.749 0.693 -0.060 0.088  -0.117 187 GLU AAA OE2 
5269 O OE2 B GLU C 188 ? 0.637 0.830 0.767 -0.070 0.110  -0.141 187 GLU AAA OE2 
5270 N N   . PRO C 189 ? 0.812 0.741 0.792 -0.040 0.094  0.052  188 PRO AAA N   
5271 C CA  . PRO C 189 ? 0.840 0.762 0.813 -0.050 0.082  0.063  188 PRO AAA CA  
5272 C C   . PRO C 189 ? 0.815 0.741 0.770 -0.043 0.095  0.053  188 PRO AAA C   
5273 O O   . PRO C 189 ? 0.839 0.751 0.793 -0.047 0.084  0.056  188 PRO AAA O   
5274 C CB  . PRO C 189 ? 0.875 0.832 0.844 -0.075 0.077  0.093  188 PRO AAA CB  
5275 C CG  . PRO C 189 ? 0.873 0.836 0.857 -0.079 0.073  0.100  188 PRO AAA CG  
5276 C CD  . PRO C 189 ? 0.824 0.775 0.808 -0.052 0.094  0.069  188 PRO AAA CD  
5277 N N   . HIS C 190 ? 0.801 0.738 0.745 -0.032 0.109  0.040  189 HIS AAA N   
5278 C CA  . HIS C 190 ? 0.816 0.741 0.742 -0.023 0.105  0.028  189 HIS AAA CA  
5279 C C   . HIS C 190 ? 0.794 0.696 0.730 -0.029 0.094  0.032  189 HIS AAA C   
5280 O O   . HIS C 190 ? 0.823 0.707 0.747 -0.030 0.082  0.031  189 HIS AAA O   
5281 C CB  . HIS C 190 ? 0.868 0.793 0.790 -0.005 0.104  0.008  189 HIS AAA CB  
5282 C CG  . HIS C 190 ? 0.907 0.885 0.819 0.010  0.115  -0.005 189 HIS AAA CG  
5283 N ND1 . HIS C 190 ? 0.943 0.931 0.850 0.041  0.106  -0.038 189 HIS AAA ND1 
5284 C CD2 . HIS C 190 ? 0.900 0.937 0.809 -0.004 0.129  0.013  189 HIS AAA CD2 
5285 C CE1 . HIS C 190 ? 0.956 1.026 0.857 0.053  0.123  -0.046 189 HIS AAA CE1 
5286 N NE2 . HIS C 190 ? 0.921 1.028 0.823 0.018  0.138  -0.007 189 HIS AAA NE2 
5287 N N   . LEU C 191 ? 0.760 0.673 0.717 -0.030 0.096  0.036  190 LEU AAA N   
5288 C CA  . LEU C 191 ? 0.762 0.693 0.733 -0.034 0.089  0.041  190 LEU AAA CA  
5289 C C   . LEU C 191 ? 0.812 0.737 0.787 -0.035 0.080  0.043  190 LEU AAA C   
5290 O O   . LEU C 191 ? 0.834 0.770 0.814 -0.042 0.072  0.052  190 LEU AAA O   
5291 C CB  . LEU C 191 ? 0.719 0.694 0.709 -0.027 0.095  0.035  190 LEU AAA CB  
5292 C CG  . LEU C 191 ? 0.699 0.698 0.689 -0.037 0.098  0.045  190 LEU AAA CG  
5293 C CD1 . LEU C 191 ? 0.688 0.739 0.688 -0.025 0.106  0.031  190 LEU AAA CD1 
5294 C CD2 . LEU C 191 ? 0.695 0.717 0.689 -0.061 0.084  0.072  190 LEU AAA CD2 
5295 N N   . MET C 192 ? 0.861 0.768 0.834 -0.034 0.074  0.042  191 MET AAA N   
5296 C CA  . MET C 192 ? 0.917 0.810 0.897 -0.038 0.055  0.047  191 MET AAA CA  
5297 C C   . MET C 192 ? 0.907 0.785 0.858 -0.052 0.053  0.059  191 MET AAA C   
5298 O O   . MET C 192 ? 0.933 0.801 0.890 -0.058 0.037  0.067  191 MET AAA O   
5299 C CB  . MET C 192 ? 1.002 0.873 0.990 -0.043 0.033  0.055  191 MET AAA CB  
5300 C CG  . MET C 192 ? 1.089 0.951 1.111 -0.021 0.006  0.034  191 MET AAA CG  
5301 S SD  . MET C 192 ? 1.300 1.106 1.335 -0.040 -0.050 0.056  191 MET AAA SD  
5302 C CE  . MET C 192 ? 1.251 1.073 1.266 -0.066 -0.031 0.082  191 MET AAA CE  
5303 N N   . LYS C 193 ? 0.883 0.763 0.807 -0.052 0.065  0.055  192 LYS AAA N   
5304 C CA  . LYS C 193 ? 0.910 0.784 0.799 -0.055 0.059  0.052  192 LYS AAA CA  
5305 C C   . LYS C 193 ? 0.912 0.760 0.804 -0.059 0.041  0.055  192 LYS AAA C   
5306 O O   . LYS C 193 ? 0.938 0.782 0.848 -0.058 0.037  0.057  192 LYS AAA O   
5307 C CB  . LYS C 193 ? 0.944 0.832 0.809 -0.038 0.068  0.030  192 LYS AAA CB  
5308 C CG  . LYS C 193 ? 0.965 0.909 0.820 -0.039 0.084  0.033  192 LYS AAA CG  
5309 C CD  . LYS C 193 ? 0.978 0.949 0.831 -0.015 0.096  0.008  192 LYS AAA CD  
5310 C CE  . LYS C 193 ? 1.036 1.032 0.855 0.016  0.089  -0.030 192 LYS AAA CE  
5311 N NZ  . LYS C 193 ? 1.056 1.064 0.884 0.049  0.088  -0.062 192 LYS AAA NZ  
5312 N N   . GLY C 194 ? 0.920 0.758 0.798 -0.069 0.028  0.063  193 GLY AAA N   
5313 C CA  . GLY C 194 ? 0.906 0.719 0.784 -0.077 0.005  0.071  193 GLY AAA CA  
5314 C C   . GLY C 194 ? 0.869 0.701 0.794 -0.081 0.002  0.085  193 GLY AAA C   
5315 O O   . GLY C 194 ? 0.866 0.699 0.802 -0.091 -0.014 0.098  193 GLY AAA O   
5316 N N   . THR C 195 ? 0.879 0.820 0.994 -0.068 0.100  0.016  194 THR AAA N   
5317 C CA  . THR C 195 ? 0.900 0.831 1.007 -0.077 0.115  0.015  194 THR AAA CA  
5318 C C   . THR C 195 ? 0.855 0.824 1.002 -0.078 0.116  0.012  194 THR AAA C   
5319 O O   . THR C 195 ? 0.840 0.810 0.994 -0.084 0.126  0.003  194 THR AAA O   
5320 C CB  . THR C 195 ? 0.961 0.856 1.032 -0.072 0.107  0.016  194 THR AAA CB  
5321 O OG1 . THR C 195 ? 0.928 0.855 1.032 -0.063 0.094  0.016  194 THR AAA OG1 
5322 C CG2 . THR C 195 ? 1.035 0.872 1.048 -0.062 0.092  0.015  194 THR AAA CG2 
5323 N N   . TRP C 196 ? 0.851 0.837 1.013 -0.071 0.107  0.015  195 TRP AAA N   
5324 C CA  . TRP C 196 ? 0.849 0.843 1.020 -0.066 0.101  0.013  195 TRP AAA CA  
5325 C C   . TRP C 196 ? 0.897 0.887 1.064 -0.066 0.101  0.015  195 TRP AAA C   
5326 O O   . TRP C 196 ? 0.918 0.904 1.085 -0.059 0.094  0.010  195 TRP AAA O   
5327 C CB  . TRP C 196 ? 0.832 0.837 1.024 -0.062 0.097  -0.004 195 TRP AAA CB  
5328 C CG  . TRP C 196 ? 0.820 0.827 1.014 -0.058 0.091  -0.008 195 TRP AAA CG  
5329 C CD1 . TRP C 196 ? 0.833 0.826 1.015 -0.042 0.071  -0.012 195 TRP AAA CD1 
5330 C CD2 . TRP C 196 ? 0.777 0.787 0.972 -0.066 0.101  -0.006 195 TRP AAA CD2 
5331 N NE1 . TRP C 196 ? 0.817 0.811 1.000 -0.041 0.069  -0.014 195 TRP AAA NE1 
5332 C CE2 . TRP C 196 ? 0.780 0.790 0.976 -0.056 0.089  -0.010 195 TRP AAA CE2 
5333 C CE3 . TRP C 196 ? 0.756 0.755 0.939 -0.078 0.116  -0.003 195 TRP AAA CE3 
5334 C CZ2 . TRP C 196 ? 0.754 0.768 0.953 -0.061 0.094  -0.010 195 TRP AAA CZ2 
5335 C CZ3 . TRP C 196 ? 0.753 0.748 0.930 -0.081 0.121  -0.003 195 TRP AAA CZ3 
5336 C CH2 . TRP C 196 ? 0.747 0.756 0.939 -0.074 0.111  -0.007 195 TRP AAA CH2 
5337 N N   . MET C 197 ? 0.953 0.939 1.116 -0.068 0.104  0.018  196 MET AAA N   
5338 C CA  . MET C 197 ? 1.013 0.998 1.176 -0.068 0.104  0.019  196 MET AAA CA  
5339 C C   . MET C 197 ? 1.031 1.018 1.202 -0.069 0.106  0.015  196 MET AAA C   
5340 O O   . MET C 197 ? 1.004 0.996 1.188 -0.067 0.101  0.005  196 MET AAA O   
5341 C CB  . MET C 197 ? 1.073 1.041 1.220 -0.068 0.102  0.018  196 MET AAA CB  
5342 C CG  . MET C 197 ? 1.120 1.073 1.254 -0.077 0.116  0.014  196 MET AAA CG  
5343 S SD  . MET C 197 ? 1.131 1.098 1.285 -0.081 0.122  0.008  196 MET AAA SD  
5344 C CE  . MET C 197 ? 1.173 1.100 1.285 -0.082 0.124  0.013  196 MET AAA CE  
5345 N N   . THR C 198 ? 1.101 1.075 1.259 -0.073 0.114  0.016  197 THR AAA N   
5346 C CA  . THR C 198 ? 1.145 1.111 1.306 -0.084 0.131  0.005  197 THR AAA CA  
5347 C C   . THR C 198 ? 1.136 1.116 1.319 -0.084 0.130  -0.003 197 THR AAA C   
5348 O O   . THR C 198 ? 1.145 1.125 1.320 -0.077 0.119  0.007  197 THR AAA O   
5349 C CB  . THR C 198 ? 1.217 1.133 1.325 -0.090 0.143  0.009  197 THR AAA CB  
5350 O OG1 . THR C 198 ? 1.226 1.126 1.312 -0.080 0.130  0.018  197 THR AAA OG1 
5351 C CG2 . THR C 198 ? 1.247 1.138 1.325 -0.087 0.140  0.014  197 THR AAA CG2 
5352 N N   . SER C 199 ? 1.148 1.141 1.363 -0.093 0.142  -0.026 198 SER AAA N   
5353 C CA  . SER C 199 ? 1.134 1.143 1.381 -0.092 0.141  -0.043 198 SER AAA CA  
5354 C C   . SER C 199 ? 1.116 1.101 1.327 -0.097 0.149  -0.027 198 SER AAA C   
5355 O O   . SER C 199 ? 1.063 1.060 1.286 -0.088 0.136  -0.026 198 SER AAA O   
5356 C CB  . SER C 199 ? 1.144 1.172 1.442 -0.107 0.162  -0.083 198 SER AAA CB  
5357 O OG  . SER C 199 ? 1.154 1.212 1.498 -0.096 0.144  -0.107 198 SER AAA OG  
5358 N N   . GLU C 200 ? 1.152 1.095 1.314 -0.107 0.166  -0.017 199 GLU AAA N   
5359 C CA  . GLU C 200 ? 1.206 1.111 1.320 -0.105 0.166  -0.003 199 GLU AAA CA  
5360 C C   . GLU C 200 ? 1.164 1.090 1.286 -0.086 0.137  0.012  199 GLU AAA C   
5361 O O   . GLU C 200 ? 1.160 1.090 1.286 -0.083 0.133  0.013  199 GLU AAA O   
5362 C CB  . GLU C 200 ? 1.309 1.142 1.347 -0.110 0.177  0.003  199 GLU AAA CB  
5363 C CG  . GLU C 200 ? 1.417 1.186 1.387 -0.109 0.180  0.009  199 GLU AAA CG  
5364 C CD  . GLU C 200 ? 1.560 1.227 1.424 -0.107 0.182  0.014  199 GLU AAA CD  
5365 O OE1 . GLU C 200 ? 1.631 1.273 1.473 -0.118 0.198  0.010  199 GLU AAA OE1 
5366 O OE2 . GLU C 200 ? 1.634 1.238 1.430 -0.093 0.165  0.020  199 GLU AAA OE2 
5367 N N   . VAL C 201 ? 1.126 1.063 1.252 -0.077 0.123  0.018  200 VAL AAA N   
5368 C CA  . VAL C 201 ? 1.074 1.028 1.212 -0.066 0.106  0.021  200 VAL AAA CA  
5369 C C   . VAL C 201 ? 0.998 0.973 1.159 -0.068 0.107  0.020  200 VAL AAA C   
5370 O O   . VAL C 201 ? 0.966 0.944 1.131 -0.067 0.105  0.019  200 VAL AAA O   
5371 C CB  . VAL C 201 ? 1.092 1.050 1.233 -0.060 0.098  0.018  200 VAL AAA CB  
5372 C CG1 . VAL C 201 ? 1.086 1.066 1.255 -0.057 0.093  0.009  200 VAL AAA CG1 
5373 C CG2 . VAL C 201 ? 1.143 1.062 1.245 -0.051 0.088  0.017  200 VAL AAA CG2 
5374 N N   . LEU C 202 ? 0.966 0.948 1.137 -0.069 0.106  0.016  201 LEU AAA N   
5375 C CA  . LEU C 202 ? 0.982 0.958 1.150 -0.064 0.097  0.013  201 LEU AAA CA  
5376 C C   . LEU C 202 ? 0.972 0.950 1.146 -0.063 0.097  0.010  201 LEU AAA C   
5377 O O   . LEU C 202 ? 0.987 0.949 1.142 -0.061 0.093  0.013  201 LEU AAA O   
5378 C CB  . LEU C 202 ? 1.012 0.990 1.191 -0.056 0.086  0.000  201 LEU AAA CB  
5379 C CG  . LEU C 202 ? 1.070 1.019 1.226 -0.041 0.063  -0.008 201 LEU AAA CG  
5380 C CD1 . LEU C 202 ? 1.117 1.020 1.215 -0.044 0.067  0.005  201 LEU AAA CD1 
5381 C CD2 . LEU C 202 ? 1.092 1.047 1.270 -0.026 0.041  -0.032 201 LEU AAA CD2 
5382 N N   . SER C 203 ? 0.961 0.951 1.155 -0.068 0.105  0.001  202 SER AAA N   
5383 C CA  . SER C 203 ? 0.955 0.947 1.159 -0.070 0.109  -0.005 202 SER AAA CA  
5384 C C   . SER C 203 ? 0.930 0.911 1.111 -0.070 0.109  0.010  202 SER AAA C   
5385 O O   . SER C 203 ? 0.919 0.899 1.100 -0.067 0.104  0.010  202 SER AAA O   
5386 C CB  . SER C 203 ? 0.983 0.976 1.201 -0.085 0.131  -0.020 202 SER AAA CB  
5387 O OG  . SER C 203 ? 1.004 0.997 1.231 -0.090 0.139  -0.028 202 SER AAA OG  
5388 N N   . TRP C 204 ? 0.912 0.883 1.076 -0.071 0.112  0.018  203 TRP AAA N   
5389 C CA  . TRP C 204 ? 0.916 0.882 1.072 -0.066 0.106  0.021  203 TRP AAA CA  
5390 C C   . TRP C 204 ? 0.903 0.880 1.071 -0.067 0.106  0.018  203 TRP AAA C   
5391 O O   . TRP C 204 ? 0.898 0.876 1.070 -0.068 0.108  0.015  203 TRP AAA O   
5392 C CB  . TRP C 204 ? 0.953 0.903 1.093 -0.058 0.097  0.019  203 TRP AAA CB  
5393 C CG  . TRP C 204 ? 0.985 0.933 1.128 -0.047 0.082  0.009  203 TRP AAA CG  
5394 C CD1 . TRP C 204 ? 1.038 0.952 1.148 -0.037 0.071  0.008  203 TRP AAA CD1 
5395 C CD2 . TRP C 204 ? 0.985 0.964 1.170 -0.045 0.078  -0.008 203 TRP AAA CD2 
5396 N NE1 . TRP C 204 ? 1.043 0.970 1.178 -0.023 0.051  -0.010 203 TRP AAA NE1 
5397 C CE2 . TRP C 204 ? 1.007 0.980 1.197 -0.030 0.059  -0.023 203 TRP AAA CE2 
5398 C CE3 . TRP C 204 ? 0.976 0.977 1.189 -0.056 0.092  -0.017 203 TRP AAA CE3 
5399 C CZ2 . TRP C 204 ? 1.012 1.018 1.255 -0.027 0.054  -0.054 203 TRP AAA CZ2 
5400 C CZ3 . TRP C 204 ? 0.986 1.010 1.241 -0.059 0.097  -0.045 203 TRP AAA CZ3 
5401 C CH2 . TRP C 204 ? 1.000 1.034 1.280 -0.045 0.078  -0.066 203 TRP AAA CH2 
5402 N N   . LEU C 205 ? 0.892 0.868 1.058 -0.070 0.109  0.017  204 LEU AAA N   
5403 C CA  . LEU C 205 ? 0.915 0.877 1.071 -0.078 0.120  0.011  204 LEU AAA CA  
5404 C C   . LEU C 205 ? 0.941 0.874 1.066 -0.078 0.118  0.016  204 LEU AAA C   
5405 O O   . LEU C 205 ? 0.943 0.855 1.051 -0.087 0.132  0.011  204 LEU AAA O   
5406 C CB  . LEU C 205 ? 0.901 0.852 1.044 -0.082 0.124  0.010  204 LEU AAA CB  
5407 C CG  . LEU C 205 ? 0.931 0.841 1.039 -0.096 0.144  0.003  204 LEU AAA CG  
5408 C CD1 . LEU C 205 ? 0.912 0.837 1.050 -0.112 0.168  -0.017 204 LEU AAA CD1 
5409 C CD2 . LEU C 205 ? 0.943 0.837 1.033 -0.099 0.148  0.003  204 LEU AAA CD2 
5410 N N   . GLN C 206 ? 0.908 0.823 0.890 0.018  0.067  -0.006 205 GLN AAA N   
5411 C CA  . GLN C 206 ? 0.953 0.885 0.969 0.013  0.066  0.003  205 GLN AAA CA  
5412 C C   . GLN C 206 ? 0.982 0.923 1.001 0.007  0.059  0.002  205 GLN AAA C   
5413 O O   . GLN C 206 ? 0.981 0.941 1.013 -0.001 0.048  0.000  205 GLN AAA O   
5414 C CB  . GLN C 206 ? 1.009 0.942 1.048 0.016  0.082  0.012  205 GLN AAA CB  
5415 C CG  . GLN C 206 ? 1.050 1.011 1.129 0.016  0.079  0.024  205 GLN AAA CG  
5416 C CD  . GLN C 206 ? 1.094 1.047 1.181 0.022  0.086  0.028  205 GLN AAA CD  
5417 O OE1 . GLN C 206 ? 1.062 1.033 1.163 0.024  0.078  0.038  205 GLN AAA OE1 
5418 N NE2 . GLN C 206 ? 1.150 1.075 1.230 0.027  0.106  0.021  205 GLN AAA NE2 
5419 N N   . GLN C 207 ? 1.006 0.934 1.015 0.011  0.068  0.005  206 GLN AAA N   
5420 C CA  . GLN C 207 ? 1.028 0.956 1.051 0.005  0.072  0.004  206 GLN AAA CA  
5421 C C   . GLN C 207 ? 0.977 0.908 0.990 0.003  0.058  -0.001 206 GLN AAA C   
5422 O O   . GLN C 207 ? 0.969 0.908 0.997 -0.008 0.056  -0.011 206 GLN AAA O   
5423 C CB  . GLN C 207 ? 1.094 1.004 1.113 0.016  0.092  0.018  206 GLN AAA CB  
5424 C CG  . GLN C 207 ? 1.152 1.056 1.192 0.018  0.113  0.024  206 GLN AAA CG  
5425 C CD  . GLN C 207 ? 1.223 1.108 1.260 0.033  0.141  0.046  206 GLN AAA CD  
5426 O OE1 . GLN C 207 ? 1.277 1.152 1.297 0.046  0.158  0.058  206 GLN AAA OE1 
5427 N NE2 . GLN C 207 ? 1.229 1.106 1.285 0.034  0.152  0.052  206 GLN AAA NE2 
5428 N N   . ALA C 208 ? 0.942 0.869 0.932 0.011  0.049  0.001  207 ALA AAA N   
5429 C CA  . ALA C 208 ? 0.927 0.859 0.917 0.010  0.037  -0.002 207 ALA AAA CA  
5430 C C   . ALA C 208 ? 0.909 0.849 0.912 0.001  0.032  -0.009 207 ALA AAA C   
5431 O O   . ALA C 208 ? 0.897 0.839 0.908 -0.003 0.033  -0.011 207 ALA AAA O   
5432 C CB  . ALA C 208 ? 0.948 0.886 0.921 0.017  0.026  -0.004 207 ALA AAA CB  
5433 N N   . ILE C 209 ? 0.907 0.852 0.912 0.001  0.032  -0.009 208 ILE AAA N   
5434 C CA  . ILE C 209 ? 0.908 0.867 0.924 -0.001 0.030  -0.005 208 ILE AAA CA  
5435 C C   . ILE C 209 ? 0.927 0.905 0.943 -0.008 0.029  -0.007 208 ILE AAA C   
5436 O O   . ILE C 209 ? 0.943 0.933 0.955 -0.010 0.028  -0.007 208 ILE AAA O   
5437 C CB  . ILE C 209 ? 0.894 0.853 0.922 0.004  0.035  0.002  208 ILE AAA CB  
5438 C CG1 . ILE C 209 ? 0.906 0.847 0.937 0.005  0.039  -0.008 208 ILE AAA CG1 
5439 C CG2 . ILE C 209 ? 0.878 0.858 0.919 0.007  0.037  0.018  208 ILE AAA CG2 
5440 C CD1 . ILE C 209 ? 0.929 0.861 0.974 0.009  0.052  -0.008 208 ILE AAA CD1 
5441 N N   . GLY C 210 ? 0.967 0.949 0.991 -0.013 0.032  -0.011 209 GLY AAA N   
5442 C CA  . GLY C 210 ? 0.985 0.991 1.018 -0.024 0.030  -0.024 209 GLY AAA CA  
5443 C C   . GLY C 210 ? 1.016 1.013 1.042 -0.032 0.035  -0.039 209 GLY AAA C   
5444 O O   . GLY C 210 ? 1.013 1.034 1.028 -0.039 0.030  -0.050 209 GLY AAA O   
5445 N N   . VAL C 211 ? 1.040 1.007 1.069 -0.028 0.046  -0.037 210 VAL AAA N   
5446 C CA  . VAL C 211 ? 1.076 1.029 1.111 -0.032 0.059  -0.047 210 VAL AAA CA  
5447 C C   . VAL C 211 ? 1.104 1.063 1.123 -0.030 0.053  -0.045 210 VAL AAA C   
5448 O O   . VAL C 211 ? 1.128 1.092 1.141 -0.039 0.061  -0.061 210 VAL AAA O   
5449 C CB  . VAL C 211 ? 1.083 1.010 1.131 -0.021 0.070  -0.031 210 VAL AAA CB  
5450 C CG1 . VAL C 211 ? 1.073 0.986 1.136 -0.021 0.085  -0.033 210 VAL AAA CG1 
5451 C CG2 . VAL C 211 ? 1.094 1.011 1.160 -0.020 0.085  -0.027 210 VAL AAA CG2 
5452 N N   . MET C 212 ? 1.123 1.080 1.137 -0.019 0.044  -0.029 211 MET AAA N   
5453 C CA  . MET C 212 ? 1.131 1.090 1.143 -0.015 0.045  -0.022 211 MET AAA CA  
5454 C C   . MET C 212 ? 1.152 1.135 1.145 -0.018 0.046  -0.024 211 MET AAA C   
5455 O O   . MET C 212 ? 1.156 1.138 1.140 -0.018 0.057  -0.027 211 MET AAA O   
5456 C CB  . MET C 212 ? 1.105 1.062 1.127 -0.007 0.037  -0.011 211 MET AAA CB  
5457 C CG  . MET C 212 ? 1.095 1.050 1.133 -0.003 0.043  -0.004 211 MET AAA CG  
5458 S SD  . MET C 212 ? 1.062 1.011 1.127 -0.000 0.039  -0.002 211 MET AAA SD  
5459 C CE  . MET C 212 ? 1.072 1.028 1.127 0.003  0.041  0.007  211 MET AAA CE  
5460 N N   . MET C 213 ? 1.233 1.241 1.218 -0.018 0.036  -0.020 212 MET AAA N   
5461 C CA  . MET C 213 ? 1.326 1.372 1.290 -0.014 0.031  -0.013 212 MET AAA CA  
5462 C C   . MET C 213 ? 1.420 1.484 1.361 -0.028 0.032  -0.042 212 MET AAA C   
5463 O O   . MET C 213 ? 1.468 1.556 1.378 -0.025 0.035  -0.040 212 MET AAA O   
5464 C CB  . MET C 213 ? 1.344 1.419 1.317 -0.010 0.019  0.000  212 MET AAA CB  
5465 C CG  . MET C 213 ? 1.325 1.379 1.323 0.002  0.024  0.023  212 MET AAA CG  
5466 S SD  . MET C 213 ? 1.371 1.421 1.379 0.020  0.040  0.054  212 MET AAA SD  
5467 C CE  . MET C 213 ? 1.395 1.507 1.385 0.033  0.034  0.081  212 MET AAA CE  
5468 N N   . ARG C 214 ? 1.557 1.525 1.544 -0.044 0.010  -0.001 213 ARG AAA N   
5469 C CA  . ARG C 214 ? 1.557 1.576 1.571 -0.049 0.000  0.011  213 ARG AAA CA  
5470 C C   . ARG C 214 ? 1.530 1.559 1.546 -0.063 -0.018 -0.000 213 ARG AAA C   
5471 O O   . ARG C 214 ? 1.553 1.614 1.587 -0.069 -0.022 -0.000 213 ARG AAA O   
5472 C CB  . ARG C 214 ? 1.606 1.633 1.620 -0.041 0.009  0.020  213 ARG AAA CB  
5473 C CG  . ARG C 214 ? 1.674 1.694 1.694 -0.020 0.037  0.041  213 ARG AAA CG  
5474 C CD  . ARG C 214 ? 1.729 1.751 1.747 -0.005 0.054  0.057  213 ARG AAA CD  
5475 N NE  . ARG C 214 ? 1.757 1.782 1.761 -0.011 0.042  0.050  213 ARG AAA NE  
5476 C CZ  . ARG C 214 ? 1.793 1.814 1.773 0.007  0.059  0.063  213 ARG AAA CZ  
5477 N NH1 . ARG C 214 ? 1.845 1.850 1.800 0.034  0.093  0.076  213 ARG AAA NH1 
5478 N NH2 . ARG C 214 ? 1.772 1.810 1.757 0.002  0.049  0.069  213 ARG AAA NH2 
5479 N N   . GLN C 215 ? 1.532 1.539 1.531 -0.070 -0.029 -0.009 214 GLN AAA N   
5480 C CA  . GLN C 215 ? 1.519 1.541 1.537 -0.080 -0.042 -0.005 214 GLN AAA CA  
5481 C C   . GLN C 215 ? 1.531 1.554 1.571 -0.085 -0.047 0.001  214 GLN AAA C   
5482 O O   . GLN C 215 ? 1.586 1.587 1.623 -0.097 -0.061 -0.003 214 GLN AAA O   
5483 C CB  . GLN C 215 ? 1.536 1.557 1.540 -0.086 -0.057 -0.001 214 GLN AAA CB  
5484 C CG  . GLN C 215 ? 1.540 1.573 1.544 -0.076 -0.046 0.009  214 GLN AAA CG  
5485 C CD  . GLN C 215 ? 1.560 1.617 1.561 -0.079 -0.060 0.030  214 GLN AAA CD  
5486 O OE1 . GLN C 215 ? 1.562 1.631 1.560 -0.094 -0.084 0.035  214 GLN AAA OE1 
5487 N NE2 . GLN C 215 ? 1.555 1.629 1.562 -0.066 -0.047 0.050  214 GLN AAA NE2 
5488 N N   . ALA C 216 ? 1.529 1.581 1.588 -0.079 -0.037 0.010  215 ALA AAA N   
5489 C CA  . ALA C 216 ? 1.532 1.601 1.622 -0.076 -0.032 0.030  215 ALA AAA CA  
5490 C C   . ALA C 216 ? 1.543 1.586 1.642 -0.075 -0.027 0.035  215 ALA AAA C   
5491 O O   . ALA C 216 ? 1.561 1.603 1.701 -0.075 -0.022 0.055  215 ALA AAA O   
5492 C CB  . ALA C 216 ? 1.527 1.599 1.649 -0.084 -0.042 0.044  215 ALA AAA CB  
# 
