data_9NBQ
# 
_entry.id   9NBQ 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9NBQ         pdb_00009nbq 10.2210/pdb9nbq/pdb 
WWPDB D_1000293004 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-03-26 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9NBQ 
_pdbx_database_status.recvd_initial_deposition_date   2025-02-14 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB 'MicroED structure of same protein in apo-form'                       9NAG unspecified 
PDB 'MicroED structure of same protein complexed with a different ligand' 9N9D unspecified 
PDB 'MicroED structure of same protein complexed with a different ligand' 9NAE unspecified 
PDB 'SSX structure of the same protein soaked with E-64D'                 9NBK unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              jrodriguez@mbi.ucla.edu 
_pdbx_contact_author.name_first         Jose 
_pdbx_contact_author.name_last          Rodriguez 
_pdbx_contact_author.name_mi            A 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-0248-4964 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Vlahakis, N.'    1 ? 
'Rodriguez, J.A.' 2 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Biorxiv 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2692-8205 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1101/2025.02.20.638743 
_citation.pdbx_database_id_PubMed   40060639 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Vlahakis, N.W.'  1  0000-0002-5092-0265 
primary 'Flowers, C.W.'   2  ?                   
primary 'Liu, M.'         3  ?                   
primary 'Agdanowski, M.'  4  ?                   
primary 'Johnson, S.'     5  ?                   
primary 'Summers, J.A.'   6  ?                   
primary 'Keyser, C.'      7  ?                   
primary 'Russell, P.'     8  ?                   
primary 'Rose, S.'        9  ?                   
primary 'Orlans, J.'      10 ?                   
primary 'Adhami, N.'      11 ?                   
primary 'Chen, Y.'        12 ?                   
primary 'Sawaya, M.R.'    13 ?                   
primary 'Basu, S.'        14 ?                   
primary 'de Sanctis, D.'  15 ?                   
primary 'Wakatsuki, S.'   16 ?                   
primary 'Nelson, H.M.'    17 ?                   
primary 'Loo, J.A.'       18 ?                   
primary 'Tang, Y.'        19 ?                   
primary 'Rodriguez, J.A.' 20 0000-0002-0248-4964 
# 
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     nat Papain                                                                                                   
23452.301 1  3.4.22.2 ? ? ? 
2 non-polymer syn 'ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate' 344.446 
1  ?        ? ? ? 
3 water       nat water                                                                                                    18.015 
33 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Papaya proteinase I,PPI' 
# 
_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       
;IPEYVDWRQKGAVTPVKNQGSCGSCWAFSAVVTIEGIIKIRTGNLNEYSEQELLDCDRRSYGCNGGYPWSALQLVAQYGI
HYRNTYPYEGVQRYCRSREKGPYAAKTDGVRQVQPYNEGALLYSIANQPVSVVLEAAGKDFQLYRGGIFVGPCGNKVDHA
VAAVGYGPNYILIKNSWGTGWGENGYIRIKRGTGNSYGVCGLYTSSFYPVKN
;
_entity_poly.pdbx_seq_one_letter_code_can   
;IPEYVDWRQKGAVTPVKNQGSCGSCWAFSAVVTIEGIIKIRTGNLNEYSEQELLDCDRRSYGCNGGYPWSALQLVAQYGI
HYRNTYPYEGVQRYCRSREKGPYAAKTDGVRQVQPYNEGALLYSIANQPVSVVLEAAGKDFQLYRGGIFVGPCGNKVDHA
VAAVGYGPNYILIKNSWGTGWGENGYIRIKRGTGNSYGVCGLYTSSFYPVKN
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate' E6D 
3 water                                                                                                    HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ILE n 
1 2   PRO n 
1 3   GLU n 
1 4   TYR n 
1 5   VAL n 
1 6   ASP n 
1 7   TRP n 
1 8   ARG n 
1 9   GLN n 
1 10  LYS n 
1 11  GLY n 
1 12  ALA n 
1 13  VAL n 
1 14  THR n 
1 15  PRO n 
1 16  VAL n 
1 17  LYS n 
1 18  ASN n 
1 19  GLN n 
1 20  GLY n 
1 21  SER n 
1 22  CYS n 
1 23  GLY n 
1 24  SER n 
1 25  CYS n 
1 26  TRP n 
1 27  ALA n 
1 28  PHE n 
1 29  SER n 
1 30  ALA n 
1 31  VAL n 
1 32  VAL n 
1 33  THR n 
1 34  ILE n 
1 35  GLU n 
1 36  GLY n 
1 37  ILE n 
1 38  ILE n 
1 39  LYS n 
1 40  ILE n 
1 41  ARG n 
1 42  THR n 
1 43  GLY n 
1 44  ASN n 
1 45  LEU n 
1 46  ASN n 
1 47  GLU n 
1 48  TYR n 
1 49  SER n 
1 50  GLU n 
1 51  GLN n 
1 52  GLU n 
1 53  LEU n 
1 54  LEU n 
1 55  ASP n 
1 56  CYS n 
1 57  ASP n 
1 58  ARG n 
1 59  ARG n 
1 60  SER n 
1 61  TYR n 
1 62  GLY n 
1 63  CYS n 
1 64  ASN n 
1 65  GLY n 
1 66  GLY n 
1 67  TYR n 
1 68  PRO n 
1 69  TRP n 
1 70  SER n 
1 71  ALA n 
1 72  LEU n 
1 73  GLN n 
1 74  LEU n 
1 75  VAL n 
1 76  ALA n 
1 77  GLN n 
1 78  TYR n 
1 79  GLY n 
1 80  ILE n 
1 81  HIS n 
1 82  TYR n 
1 83  ARG n 
1 84  ASN n 
1 85  THR n 
1 86  TYR n 
1 87  PRO n 
1 88  TYR n 
1 89  GLU n 
1 90  GLY n 
1 91  VAL n 
1 92  GLN n 
1 93  ARG n 
1 94  TYR n 
1 95  CYS n 
1 96  ARG n 
1 97  SER n 
1 98  ARG n 
1 99  GLU n 
1 100 LYS n 
1 101 GLY n 
1 102 PRO n 
1 103 TYR n 
1 104 ALA n 
1 105 ALA n 
1 106 LYS n 
1 107 THR n 
1 108 ASP n 
1 109 GLY n 
1 110 VAL n 
1 111 ARG n 
1 112 GLN n 
1 113 VAL n 
1 114 GLN n 
1 115 PRO n 
1 116 TYR n 
1 117 ASN n 
1 118 GLU n 
1 119 GLY n 
1 120 ALA n 
1 121 LEU n 
1 122 LEU n 
1 123 TYR n 
1 124 SER n 
1 125 ILE n 
1 126 ALA n 
1 127 ASN n 
1 128 GLN n 
1 129 PRO n 
1 130 VAL n 
1 131 SER n 
1 132 VAL n 
1 133 VAL n 
1 134 LEU n 
1 135 GLU n 
1 136 ALA n 
1 137 ALA n 
1 138 GLY n 
1 139 LYS n 
1 140 ASP n 
1 141 PHE n 
1 142 GLN n 
1 143 LEU n 
1 144 TYR n 
1 145 ARG n 
1 146 GLY n 
1 147 GLY n 
1 148 ILE n 
1 149 PHE n 
1 150 VAL n 
1 151 GLY n 
1 152 PRO n 
1 153 CYS n 
1 154 GLY n 
1 155 ASN n 
1 156 LYS n 
1 157 VAL n 
1 158 ASP n 
1 159 HIS n 
1 160 ALA n 
1 161 VAL n 
1 162 ALA n 
1 163 ALA n 
1 164 VAL n 
1 165 GLY n 
1 166 TYR n 
1 167 GLY n 
1 168 PRO n 
1 169 ASN n 
1 170 TYR n 
1 171 ILE n 
1 172 LEU n 
1 173 ILE n 
1 174 LYS n 
1 175 ASN n 
1 176 SER n 
1 177 TRP n 
1 178 GLY n 
1 179 THR n 
1 180 GLY n 
1 181 TRP n 
1 182 GLY n 
1 183 GLU n 
1 184 ASN n 
1 185 GLY n 
1 186 TYR n 
1 187 ILE n 
1 188 ARG n 
1 189 ILE n 
1 190 LYS n 
1 191 ARG n 
1 192 GLY n 
1 193 THR n 
1 194 GLY n 
1 195 ASN n 
1 196 SER n 
1 197 TYR n 
1 198 GLY n 
1 199 VAL n 
1 200 CYS n 
1 201 GLY n 
1 202 LEU n 
1 203 TYR n 
1 204 THR n 
1 205 SER n 
1 206 SER n 
1 207 PHE n 
1 208 TYR n 
1 209 PRO n 
1 210 VAL n 
1 211 LYS n 
1 212 ASN n 
# 
_entity_src_nat.entity_id                  1 
_entity_src_nat.pdbx_src_id                1 
_entity_src_nat.pdbx_alt_source_flag       sample 
_entity_src_nat.pdbx_beg_seq_num           1 
_entity_src_nat.pdbx_end_seq_num           212 
_entity_src_nat.common_name                papaya 
_entity_src_nat.pdbx_organism_scientific   'Carica papaya' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      3649 
_entity_src_nat.genus                      ? 
_entity_src_nat.species                    ? 
_entity_src_nat.strain                     ? 
_entity_src_nat.tissue                     ? 
_entity_src_nat.tissue_fraction            ? 
_entity_src_nat.pdbx_secretion             ? 
_entity_src_nat.pdbx_fragment              ? 
_entity_src_nat.pdbx_variant               ? 
_entity_src_nat.pdbx_cell_line             ? 
_entity_src_nat.pdbx_atcc                  ? 
_entity_src_nat.pdbx_cellular_location     ? 
_entity_src_nat.pdbx_organ                 ? 
_entity_src_nat.pdbx_organelle             ? 
_entity_src_nat.pdbx_cell                  ? 
_entity_src_nat.pdbx_plasmid_name          ? 
_entity_src_nat.pdbx_plasmid_details       ? 
_entity_src_nat.details                    ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
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 
E6D non-polymer         . 'ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate' 
? 'C17 H32 N2 O5'  344.446 
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 
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   ILE 1   1   1   ILE ILE A . n 
A 1 2   PRO 2   2   2   PRO PRO A . n 
A 1 3   GLU 3   3   3   GLU GLU A . n 
A 1 4   TYR 4   4   4   TYR TYR A . n 
A 1 5   VAL 5   5   5   VAL VAL A . n 
A 1 6   ASP 6   6   6   ASP ASP A . n 
A 1 7   TRP 7   7   7   TRP TRP A . n 
A 1 8   ARG 8   8   8   ARG ARG A . n 
A 1 9   GLN 9   9   9   GLN GLN A . n 
A 1 10  LYS 10  10  10  LYS LYS A . n 
A 1 11  GLY 11  11  11  GLY GLY A . n 
A 1 12  ALA 12  12  12  ALA ALA A . n 
A 1 13  VAL 13  13  13  VAL VAL A . n 
A 1 14  THR 14  14  14  THR THR A . n 
A 1 15  PRO 15  15  15  PRO PRO A . n 
A 1 16  VAL 16  16  16  VAL VAL A . n 
A 1 17  LYS 17  17  17  LYS LYS A . n 
A 1 18  ASN 18  18  18  ASN ASN A . n 
A 1 19  GLN 19  19  19  GLN GLN A . n 
A 1 20  GLY 20  20  20  GLY GLY A . n 
A 1 21  SER 21  21  21  SER SER A . n 
A 1 22  CYS 22  22  22  CYS CYS A . n 
A 1 23  GLY 23  23  23  GLY GLY A . n 
A 1 24  SER 24  24  24  SER SER A . n 
A 1 25  CYS 25  25  25  CYS CYS A . n 
A 1 26  TRP 26  26  26  TRP TRP A . n 
A 1 27  ALA 27  27  27  ALA ALA A . n 
A 1 28  PHE 28  28  28  PHE PHE A . n 
A 1 29  SER 29  29  29  SER SER A . n 
A 1 30  ALA 30  30  30  ALA ALA A . n 
A 1 31  VAL 31  31  31  VAL VAL A . n 
A 1 32  VAL 32  32  32  VAL VAL A . n 
A 1 33  THR 33  33  33  THR THR A . n 
A 1 34  ILE 34  34  34  ILE ILE A . n 
A 1 35  GLU 35  35  35  GLU GLU A . n 
A 1 36  GLY 36  36  36  GLY GLY A . n 
A 1 37  ILE 37  37  37  ILE ILE A . n 
A 1 38  ILE 38  38  38  ILE ILE A . n 
A 1 39  LYS 39  39  39  LYS LYS A . n 
A 1 40  ILE 40  40  40  ILE ILE A . n 
A 1 41  ARG 41  41  41  ARG ARG A . n 
A 1 42  THR 42  42  42  THR THR A . n 
A 1 43  GLY 43  43  43  GLY GLY A . n 
A 1 44  ASN 44  44  44  ASN ASN A . n 
A 1 45  LEU 45  45  45  LEU LEU A . n 
A 1 46  ASN 46  46  46  ASN ASN A . n 
A 1 47  GLU 47  47  47  GLU GLU A . n 
A 1 48  TYR 48  48  48  TYR TYR A . n 
A 1 49  SER 49  49  49  SER SER A . n 
A 1 50  GLU 50  50  50  GLU GLU A . n 
A 1 51  GLN 51  51  51  GLN GLN A . n 
A 1 52  GLU 52  52  52  GLU GLU A . n 
A 1 53  LEU 53  53  53  LEU LEU A . n 
A 1 54  LEU 54  54  54  LEU LEU A . n 
A 1 55  ASP 55  55  55  ASP ASP A . n 
A 1 56  CYS 56  56  56  CYS CYS A . n 
A 1 57  ASP 57  57  57  ASP ASP A . n 
A 1 58  ARG 58  58  58  ARG ARG A . n 
A 1 59  ARG 59  59  59  ARG ARG A . n 
A 1 60  SER 60  60  60  SER SER A . n 
A 1 61  TYR 61  61  61  TYR TYR A . n 
A 1 62  GLY 62  62  62  GLY GLY A . n 
A 1 63  CYS 63  63  63  CYS CYS A . n 
A 1 64  ASN 64  64  64  ASN ASN A . n 
A 1 65  GLY 65  65  65  GLY GLY A . n 
A 1 66  GLY 66  66  66  GLY GLY A . n 
A 1 67  TYR 67  67  67  TYR TYR A . n 
A 1 68  PRO 68  68  68  PRO PRO A . n 
A 1 69  TRP 69  69  69  TRP TRP A . n 
A 1 70  SER 70  70  70  SER SER A . n 
A 1 71  ALA 71  71  71  ALA ALA A . n 
A 1 72  LEU 72  72  72  LEU LEU A . n 
A 1 73  GLN 73  73  73  GLN GLN A . n 
A 1 74  LEU 74  74  74  LEU LEU A . n 
A 1 75  VAL 75  75  75  VAL VAL A . n 
A 1 76  ALA 76  76  76  ALA ALA A . n 
A 1 77  GLN 77  77  77  GLN GLN A . n 
A 1 78  TYR 78  78  78  TYR TYR A . n 
A 1 79  GLY 79  79  79  GLY GLY A . n 
A 1 80  ILE 80  80  80  ILE ILE A . n 
A 1 81  HIS 81  81  81  HIS HIS A . n 
A 1 82  TYR 82  82  82  TYR TYR A . n 
A 1 83  ARG 83  83  83  ARG ARG A . n 
A 1 84  ASN 84  84  84  ASN ASN A . n 
A 1 85  THR 85  85  85  THR THR A . n 
A 1 86  TYR 86  86  86  TYR TYR A . n 
A 1 87  PRO 87  87  87  PRO PRO A . n 
A 1 88  TYR 88  88  88  TYR TYR A . n 
A 1 89  GLU 89  89  89  GLU GLU A . n 
A 1 90  GLY 90  90  90  GLY GLY A . n 
A 1 91  VAL 91  91  91  VAL VAL A . n 
A 1 92  GLN 92  92  92  GLN GLN A . n 
A 1 93  ARG 93  93  93  ARG ARG A . n 
A 1 94  TYR 94  94  94  TYR TYR A . n 
A 1 95  CYS 95  95  95  CYS CYS A . n 
A 1 96  ARG 96  96  96  ARG ARG A . n 
A 1 97  SER 97  97  97  SER SER A . n 
A 1 98  ARG 98  98  98  ARG ARG A . n 
A 1 99  GLU 99  99  99  GLU GLU A . n 
A 1 100 LYS 100 100 100 LYS LYS A . n 
A 1 101 GLY 101 101 101 GLY GLY A . n 
A 1 102 PRO 102 102 102 PRO PRO A . n 
A 1 103 TYR 103 103 103 TYR TYR A . n 
A 1 104 ALA 104 104 104 ALA ALA A . n 
A 1 105 ALA 105 105 105 ALA ALA A . n 
A 1 106 LYS 106 106 106 LYS LYS A . n 
A 1 107 THR 107 107 107 THR THR A . n 
A 1 108 ASP 108 108 108 ASP ASP A . n 
A 1 109 GLY 109 109 109 GLY GLY A . n 
A 1 110 VAL 110 110 110 VAL VAL A . n 
A 1 111 ARG 111 111 111 ARG ARG A . n 
A 1 112 GLN 112 112 112 GLN GLN A . n 
A 1 113 VAL 113 113 113 VAL VAL A . n 
A 1 114 GLN 114 114 114 GLN GLN A . n 
A 1 115 PRO 115 115 115 PRO PRO A . n 
A 1 116 TYR 116 116 116 TYR TYR A . n 
A 1 117 ASN 117 117 117 ASN ASN A . n 
A 1 118 GLU 118 118 118 GLU GLU A . n 
A 1 119 GLY 119 119 119 GLY GLY A . n 
A 1 120 ALA 120 120 120 ALA ALA A . n 
A 1 121 LEU 121 121 121 LEU LEU A . n 
A 1 122 LEU 122 122 122 LEU LEU A . n 
A 1 123 TYR 123 123 123 TYR TYR A . n 
A 1 124 SER 124 124 124 SER SER A . n 
A 1 125 ILE 125 125 125 ILE ILE A . n 
A 1 126 ALA 126 126 126 ALA ALA A . n 
A 1 127 ASN 127 127 127 ASN ASN A . n 
A 1 128 GLN 128 128 128 GLN GLN A . n 
A 1 129 PRO 129 129 129 PRO PRO A . n 
A 1 130 VAL 130 130 130 VAL VAL A . n 
A 1 131 SER 131 131 131 SER SER A . n 
A 1 132 VAL 132 132 132 VAL VAL A . n 
A 1 133 VAL 133 133 133 VAL VAL A . n 
A 1 134 LEU 134 134 134 LEU LEU A . n 
A 1 135 GLU 135 135 135 GLU GLU A . n 
A 1 136 ALA 136 136 136 ALA ALA A . n 
A 1 137 ALA 137 137 137 ALA ALA A . n 
A 1 138 GLY 138 138 138 GLY GLY A . n 
A 1 139 LYS 139 139 139 LYS LYS A . n 
A 1 140 ASP 140 140 140 ASP ASP A . n 
A 1 141 PHE 141 141 141 PHE PHE A . n 
A 1 142 GLN 142 142 142 GLN GLN A . n 
A 1 143 LEU 143 143 143 LEU LEU A . n 
A 1 144 TYR 144 144 144 TYR TYR A . n 
A 1 145 ARG 145 145 145 ARG ARG A . n 
A 1 146 GLY 146 146 146 GLY GLY A . n 
A 1 147 GLY 147 147 147 GLY GLY A . n 
A 1 148 ILE 148 148 148 ILE ILE A . n 
A 1 149 PHE 149 149 149 PHE PHE A . n 
A 1 150 VAL 150 150 150 VAL VAL A . n 
A 1 151 GLY 151 151 151 GLY GLY A . n 
A 1 152 PRO 152 152 152 PRO PRO A . n 
A 1 153 CYS 153 153 153 CYS CYS A . n 
A 1 154 GLY 154 154 154 GLY GLY A . n 
A 1 155 ASN 155 155 155 ASN ASN A . n 
A 1 156 LYS 156 156 156 LYS LYS A . n 
A 1 157 VAL 157 157 157 VAL VAL A . n 
A 1 158 ASP 158 158 158 ASP ASP A . n 
A 1 159 HIS 159 159 159 HIS HIS A . n 
A 1 160 ALA 160 160 160 ALA ALA A . n 
A 1 161 VAL 161 161 161 VAL VAL A . n 
A 1 162 ALA 162 162 162 ALA ALA A . n 
A 1 163 ALA 163 163 163 ALA ALA A . n 
A 1 164 VAL 164 164 164 VAL VAL A . n 
A 1 165 GLY 165 165 165 GLY GLY A . n 
A 1 166 TYR 166 166 166 TYR TYR A . n 
A 1 167 GLY 167 167 167 GLY GLY A . n 
A 1 168 PRO 168 168 168 PRO PRO A . n 
A 1 169 ASN 169 169 169 ASN ASN A . n 
A 1 170 TYR 170 170 170 TYR TYR A . n 
A 1 171 ILE 171 171 171 ILE ILE A . n 
A 1 172 LEU 172 172 172 LEU LEU A . n 
A 1 173 ILE 173 173 173 ILE ILE A . n 
A 1 174 LYS 174 174 174 LYS LYS A . n 
A 1 175 ASN 175 175 175 ASN ASN A . n 
A 1 176 SER 176 176 176 SER SER A . n 
A 1 177 TRP 177 177 177 TRP TRP A . n 
A 1 178 GLY 178 178 178 GLY GLY A . n 
A 1 179 THR 179 179 179 THR THR A . n 
A 1 180 GLY 180 180 180 GLY GLY A . n 
A 1 181 TRP 181 181 181 TRP TRP A . n 
A 1 182 GLY 182 182 182 GLY GLY A . n 
A 1 183 GLU 183 183 183 GLU GLU A . n 
A 1 184 ASN 184 184 184 ASN ASN A . n 
A 1 185 GLY 185 185 185 GLY GLY A . n 
A 1 186 TYR 186 186 186 TYR TYR A . n 
A 1 187 ILE 187 187 187 ILE ILE A . n 
A 1 188 ARG 188 188 188 ARG ARG A . n 
A 1 189 ILE 189 189 189 ILE ILE A . n 
A 1 190 LYS 190 190 190 LYS LYS A . n 
A 1 191 ARG 191 191 191 ARG ARG A . n 
A 1 192 GLY 192 192 192 GLY GLY A . n 
A 1 193 THR 193 193 193 THR THR A . n 
A 1 194 GLY 194 194 194 GLY GLY A . n 
A 1 195 ASN 195 195 195 ASN ASN A . n 
A 1 196 SER 196 196 196 SER SER A . n 
A 1 197 TYR 197 197 197 TYR TYR A . n 
A 1 198 GLY 198 198 198 GLY GLY A . n 
A 1 199 VAL 199 199 199 VAL VAL A . n 
A 1 200 CYS 200 200 200 CYS CYS A . n 
A 1 201 GLY 201 201 201 GLY GLY A . n 
A 1 202 LEU 202 202 202 LEU LEU A . n 
A 1 203 TYR 203 203 203 TYR TYR A . n 
A 1 204 THR 204 204 204 THR THR A . n 
A 1 205 SER 205 205 205 SER SER A . n 
A 1 206 SER 206 206 206 SER SER A . n 
A 1 207 PHE 207 207 207 PHE PHE A . n 
A 1 208 TYR 208 208 208 TYR TYR A . n 
A 1 209 PRO 209 209 209 PRO PRO A . n 
A 1 210 VAL 210 210 210 VAL VAL A . n 
A 1 211 LYS 211 211 211 LYS LYS A . n 
A 1 212 ASN 212 212 212 ASN ASN A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        E6D 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   E6D 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 E6D 1  301 301 E6D E6D A . 
C 3 HOH 1  401 20  HOH HOH A . 
C 3 HOH 2  402 30  HOH HOH A . 
C 3 HOH 3  403 11  HOH HOH A . 
C 3 HOH 4  404 3   HOH HOH A . 
C 3 HOH 5  405 36  HOH HOH A . 
C 3 HOH 6  406 15  HOH HOH A . 
C 3 HOH 7  407 29  HOH HOH A . 
C 3 HOH 8  408 9   HOH HOH A . 
C 3 HOH 9  409 7   HOH HOH A . 
C 3 HOH 10 410 26  HOH HOH A . 
C 3 HOH 11 411 4   HOH HOH A . 
C 3 HOH 12 412 2   HOH HOH A . 
C 3 HOH 13 413 31  HOH HOH A . 
C 3 HOH 14 414 32  HOH HOH A . 
C 3 HOH 15 415 18  HOH HOH A . 
C 3 HOH 16 416 10  HOH HOH A . 
C 3 HOH 17 417 17  HOH HOH A . 
C 3 HOH 18 418 22  HOH HOH A . 
C 3 HOH 19 419 12  HOH HOH A . 
C 3 HOH 20 420 34  HOH HOH A . 
C 3 HOH 21 421 23  HOH HOH A . 
C 3 HOH 22 422 28  HOH HOH A . 
C 3 HOH 23 423 33  HOH HOH A . 
C 3 HOH 24 424 25  HOH HOH A . 
C 3 HOH 25 425 16  HOH HOH A . 
C 3 HOH 26 426 24  HOH HOH A . 
C 3 HOH 27 427 37  HOH HOH A . 
C 3 HOH 28 428 13  HOH HOH A . 
C 3 HOH 29 429 6   HOH HOH A . 
C 3 HOH 30 430 35  HOH HOH A . 
C 3 HOH 31 431 38  HOH HOH A . 
C 3 HOH 32 432 21  HOH HOH A . 
C 3 HOH 33 433 19  HOH HOH A . 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9NBQ 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     42.080 
_cell.length_a_esd                 ? 
_cell.length_b                     49.340 
_cell.length_b_esd                 ? 
_cell.length_c                     100.920 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9NBQ 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9NBQ 
_exptl.crystals_number            ? 
_exptl.details                    ? 
_exptl.method                     'ELECTRON CRYSTALLOGRAPHY' 
_exptl.method_details             ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9NBQ 
_refine.pdbx_refine_id                           'ELECTRON CRYSTALLOGRAPHY' 
_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                            2.30 
_refine.ls_d_res_low                             32.02 
_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                     9321 
_refine.ls_number_reflns_R_free                  931 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    94.82 
_refine.ls_percent_reflns_R_free                 9.99 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1987 
_refine.ls_R_factor_R_free                       0.2470 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1933 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.correlation_coeff_I_to_Fcsqd_work        ? 
_refine.correlation_coeff_I_to_Fcsqd_free        ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.36 
_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       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 22.23 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.27 
_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                    ? 
# 
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 
'ELECTRON CRYSTALLOGRAPHY' ? 0.007 ? 1801 ? f_bond_d           ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 0.958 ? 2457 ? f_angle_d          ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 9.829 ? 264  ? f_dihedral_angle_d ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 0.066 ? 242  ? f_chiral_restr     ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 0.008 ? 327  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.correlation_coeff_Fo_to_Fc 
_refine_ls_shell.correlation_coeff_Fo_to_Fc_free 
_refine_ls_shell.correlation_coeff_I_to_Fcsqd_work 
_refine_ls_shell.correlation_coeff_I_to_Fcsqd_free 
_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 
'ELECTRON CRYSTALLOGRAPHY' 2.30 2.42  . . 128 1157 94.00 . . . . 0.2275 . . . . . . . . . . . . . . . 0.3002 
'ELECTRON CRYSTALLOGRAPHY' 2.42 2.57  . . 133 1196 96.00 . . . . 0.2545 . . . . . . . . . . . . . . . 0.3580 
'ELECTRON CRYSTALLOGRAPHY' 2.57 2.77  . . 132 1193 96.00 . . . . 0.2523 . . . . . . . . . . . . . . . 0.2968 
'ELECTRON CRYSTALLOGRAPHY' 2.77 3.05  . . 133 1194 95.00 . . . . 0.2265 . . . . . . . . . . . . . . . 0.2963 
'ELECTRON CRYSTALLOGRAPHY' 3.05 3.49  . . 134 1203 96.00 . . . . 0.1943 . . . . . . . . . . . . . . . 0.2608 
'ELECTRON CRYSTALLOGRAPHY' 3.49 4.39  . . 133 1204 94.00 . . . . 0.1495 . . . . . . . . . . . . . . . 0.1974 
'ELECTRON CRYSTALLOGRAPHY' 4.40 32.02 . . 138 1243 92.00 . . . . 0.1542 . . . . . . . . . . . . . . . 0.1718 
# 
_struct.entry_id                     9NBQ 
_struct.title                        'MicroED structure of papain co-crystallized with E-64D' 
_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        9NBQ 
_struct_keywords.text            'Inhibitor, Complex, MicroED, Enzyme, HYDROLASE-INHIBITOR complex' 
_struct_keywords.pdbx_keywords   HYDROLASE/INHIBITOR 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    PAPA1_CARPA 
_struct_ref.pdbx_db_accession          P00784 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;IPEYVDWRQKGAVTPVKNQGSCGSCWAFSAVVTIEGIIKIRTGNLNEYSEQELLDCDRRSYGCNGGYPWSALQLVAQYGI
HYRNTYPYEGVQRYCRSREKGPYAAKTDGVRQVQPYNEGALLYSIANQPVSVVLEAAGKDFQLYRGGIFVGPCGNKVDHA
VAAVGYGPNYILIKNSWGTGWGENGYIRIKRGTGNSYGVCGLYTSSFYPVKN
;
_struct_ref.pdbx_align_begin           134 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9NBQ 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 212 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00784 
_struct_ref_seq.db_align_beg                  134 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  345 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       212 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 0    ? 
1 MORE         0    ? 
1 'SSA (A^2)'  9290 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 SER A 24  ? GLY A 43  ? SER A 24  GLY A 43  1 ? 20 
HELX_P HELX_P2 AA2 SER A 49  ? ASP A 57  ? SER A 49  ASP A 57  1 ? 9  
HELX_P HELX_P3 AA3 TYR A 61  ? GLY A 65  ? TYR A 61  GLY A 65  5 ? 5  
HELX_P HELX_P4 AA4 TYR A 67  ? TYR A 78  ? TYR A 67  TYR A 78  1 ? 12 
HELX_P HELX_P5 AA5 ASN A 117 ? GLN A 128 ? ASN A 117 GLN A 128 1 ? 12 
HELX_P HELX_P6 AA6 GLY A 138 ? LEU A 143 ? GLY A 138 LEU A 143 1 ? 6  
HELX_P HELX_P7 AA7 GLY A 198 ? LEU A 202 ? GLY A 198 LEU A 202 5 ? 5  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ?    ? A CYS 22  SG ? ? ? 1_555 A CYS 63  SG ? ? A CYS 22  A CYS 63  1_555 ? ? ? ? ? ? ? 2.035 ? ? 
disulf2 disulf ?    ? A CYS 56  SG ? ? ? 1_555 A CYS 95  SG ? ? A CYS 56  A CYS 95  1_555 ? ? ? ? ? ? ? 2.041 ? ? 
disulf3 disulf ?    ? A CYS 153 SG ? ? ? 1_555 A CYS 200 SG ? ? A CYS 153 A CYS 200 1_555 ? ? ? ? ? ? ? 2.049 ? ? 
covale1 covale none ? A CYS 25  SG ? ? ? 1_555 B E6D .   C2 ? ? A CYS 25  A E6D 301 1_555 ? ? ? ? ? ? ? 1.805 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
covale ? ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 E6D B .   ? CYS A 25  ? E6D A 301 ? 1_555 CYS A 25  ? 1_555 C2 SG CYS 1 E6D None 'Covalent chemical modification' 
2 CYS A 22  ? CYS A 63  ? CYS A 22  ? 1_555 CYS A 63  ? 1_555 SG SG .   . .   None 'Disulfide bridge'               
3 CYS A 56  ? CYS A 95  ? CYS A 56  ? 1_555 CYS A 95  ? 1_555 SG SG .   . .   None 'Disulfide bridge'               
4 CYS A 153 ? CYS A 200 ? CYS A 153 ? 1_555 CYS A 200 ? 1_555 SG SG .   . .   None 'Disulfide bridge'               
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          GLY 
_struct_mon_prot_cis.label_seq_id           151 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           GLY 
_struct_mon_prot_cis.auth_seq_id            151 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    152 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     152 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       3.90 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 3 ? 
AA2 ? 5 ? 
AA3 ? 2 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? parallel      
AA3 1 2 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 VAL A 5   ? ASP A 6   ? VAL A 5   ASP A 6   
AA1 2 HIS A 159 ? TYR A 166 ? HIS A 159 TYR A 166 
AA1 3 VAL A 130 ? LEU A 134 ? VAL A 130 LEU A 134 
AA2 1 VAL A 5   ? ASP A 6   ? VAL A 5   ASP A 6   
AA2 2 HIS A 159 ? TYR A 166 ? HIS A 159 TYR A 166 
AA2 3 TYR A 170 ? LYS A 174 ? TYR A 170 LYS A 174 
AA2 4 TYR A 186 ? LYS A 190 ? TYR A 186 LYS A 190 
AA2 5 ILE A 148 ? PHE A 149 ? ILE A 148 PHE A 149 
AA3 1 GLY A 109 ? GLN A 112 ? GLY A 109 GLN A 112 
AA3 2 PHE A 207 ? VAL A 210 ? PHE A 207 VAL A 210 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N VAL A 5   ? N VAL A 5   O TYR A 166 ? O TYR A 166 
AA1 2 3 O VAL A 161 ? O VAL A 161 N VAL A 132 ? N VAL A 132 
AA2 1 2 N VAL A 5   ? N VAL A 5   O TYR A 166 ? O TYR A 166 
AA2 2 3 N ALA A 162 ? N ALA A 162 O LYS A 174 ? O LYS A 174 
AA2 3 4 N ILE A 173 ? N ILE A 173 O ILE A 187 ? O ILE A 187 
AA2 4 5 O ARG A 188 ? O ARG A 188 N PHE A 149 ? N PHE A 149 
AA3 1 2 N GLY A 109 ? N GLY A 109 O VAL A 210 ? O VAL A 210 
# 
_pdbx_entry_details.entry_id                   9NBQ 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
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 TYR A 78  ? ? -97.48  -69.66 
2 1 GLN A 128 ? ? 177.08  161.75 
3 1 ASP A 158 ? ? -153.05 7.45   
# 
_em_3d_fitting.id                1 
_em_3d_fitting.entry_id          9NBQ 
_em_3d_fitting.method            ? 
_em_3d_fitting.target_criteria   ? 
_em_3d_fitting.details           ? 
_em_3d_fitting.overall_b_value   ? 
_em_3d_fitting.ref_space         ? 
_em_3d_fitting.ref_protocol      ? 
# 
_em_3d_fitting_list.id                            1 
_em_3d_fitting_list.3d_fitting_id                 1 
_em_3d_fitting_list.pdb_entry_id                  9PAP 
_em_3d_fitting_list.pdb_chain_id                  ? 
_em_3d_fitting_list.pdb_chain_residue_range       ? 
_em_3d_fitting_list.details                       ? 
_em_3d_fitting_list.chain_id                      ? 
_em_3d_fitting_list.chain_residue_range           ? 
_em_3d_fitting_list.source_name                   PDB 
_em_3d_fitting_list.type                          'experimental model' 
_em_3d_fitting_list.accession_code                9PAP 
_em_3d_fitting_list.initial_refinement_model_id   1 
# 
_em_3d_reconstruction.entry_id                    9NBQ 
_em_3d_reconstruction.id                          1 
_em_3d_reconstruction.method                      ? 
_em_3d_reconstruction.algorithm                   ? 
_em_3d_reconstruction.citation_id                 ? 
_em_3d_reconstruction.details                     ? 
_em_3d_reconstruction.resolution                  2.3 
_em_3d_reconstruction.resolution_method           'DIFFRACTION PATTERN/LAYERLINES' 
_em_3d_reconstruction.magnification_calibration   ? 
_em_3d_reconstruction.nominal_pixel_size          ? 
_em_3d_reconstruction.actual_pixel_size           ? 
_em_3d_reconstruction.num_particles               ? 
_em_3d_reconstruction.euler_angles_details        ? 
_em_3d_reconstruction.num_class_averages          ? 
_em_3d_reconstruction.refinement_type             ? 
_em_3d_reconstruction.image_processing_id         1 
_em_3d_reconstruction.symmetry_type               '3D CRYSTAL' 
# 
_em_buffer.id            1 
_em_buffer.specimen_id   1 
_em_buffer.name          ? 
_em_buffer.details       ? 
_em_buffer.pH            7 
# 
_em_entity_assembly.id                   1 
_em_entity_assembly.parent_id            0 
_em_entity_assembly.source               NATURAL 
_em_entity_assembly.type                 COMPLEX 
_em_entity_assembly.name                 'Papain-E-64D complex' 
_em_entity_assembly.details              ? 
_em_entity_assembly.synonym              ? 
_em_entity_assembly.oligomeric_details   ? 
_em_entity_assembly.entity_id_list       1 
# 
_em_imaging.entry_id                        9NBQ 
_em_imaging.id                              1 
_em_imaging.astigmatism                     ? 
_em_imaging.electron_beam_tilt_params       ? 
_em_imaging.residual_tilt                   ? 
_em_imaging.microscope_model                'TFS TALOS F200C' 
_em_imaging.specimen_holder_type            ? 
_em_imaging.specimen_holder_model           'GATAN 626 SINGLE TILT LIQUID NITROGEN CRYO TRANSFER HOLDER' 
_em_imaging.details                         ? 
_em_imaging.date                            ? 
_em_imaging.accelerating_voltage            200 
_em_imaging.illumination_mode               'FLOOD BEAM' 
_em_imaging.mode                            DIFFRACTION 
_em_imaging.nominal_cs                      ? 
_em_imaging.nominal_defocus_min             10000 
_em_imaging.nominal_defocus_max             10000 
_em_imaging.calibrated_defocus_min          ? 
_em_imaging.calibrated_defocus_max          ? 
_em_imaging.tilt_angle_min                  ? 
_em_imaging.tilt_angle_max                  ? 
_em_imaging.nominal_magnification           ? 
_em_imaging.calibrated_magnification        ? 
_em_imaging.electron_source                 'FIELD EMISSION GUN' 
_em_imaging.citation_id                     ? 
_em_imaging.temperature                     ? 
_em_imaging.detector_distance               ? 
_em_imaging.recording_temperature_minimum   100 
_em_imaging.recording_temperature_maximum   100 
_em_imaging.alignment_procedure             ? 
_em_imaging.c2_aperture_diameter            70 
_em_imaging.specimen_id                     1 
_em_imaging.cryogen                         NITROGEN 
_em_imaging.objective_aperture              ? 
_em_imaging.microscope_serial_number        ? 
_em_imaging.microscope_version              ? 
# 
_em_vitrification.entry_id              9NBQ 
_em_vitrification.id                    1 
_em_vitrification.specimen_id           1 
_em_vitrification.cryogen_name          ETHANE 
_em_vitrification.humidity              ? 
_em_vitrification.temp                  ? 
_em_vitrification.chamber_temperature   ? 
_em_vitrification.instrument            ? 
_em_vitrification.method                ? 
_em_vitrification.time_resolved_state   ? 
_em_vitrification.citation_id           ? 
_em_vitrification.details               ? 
# 
_em_experiment.entry_id                9NBQ 
_em_experiment.id                      1 
_em_experiment.reconstruction_method   CRYSTALLOGRAPHY 
_em_experiment.aggregation_state       '3D ARRAY' 
_em_experiment.entity_assembly_id      1 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
E6D C14  C N N 88  
E6D C13  C N N 89  
E6D C15  C N N 90  
E6D C12  C N N 91  
E6D C11  C N N 92  
E6D N10  N N N 93  
E6D C8   C N N 94  
E6D O9   O N N 95  
E6D C7   C N S 96  
E6D C19  C N N 97  
E6D C20  C N N 98  
E6D C22  C N N 99  
E6D C21  C N N 100 
E6D N6   N N N 101 
E6D C4   C N N 102 
E6D O5   O N N 103 
E6D C3   C N S 104 
E6D O1   O N N 105 
E6D C2   C N N 106 
E6D C16  C N N 107 
E6D O18  O N N 108 
E6D O17  O N N 109 
E6D C23  C N N 110 
E6D H1   H N N 111 
E6D H2   H N N 112 
E6D H3   H N N 113 
E6D H4   H N N 114 
E6D H5   H N N 115 
E6D H6   H N N 116 
E6D H7   H N N 117 
E6D H8   H N N 118 
E6D H9   H N N 119 
E6D H10  H N N 120 
E6D H11  H N N 121 
E6D H12  H N N 122 
E6D H13  H N N 123 
E6D H14  H N N 124 
E6D H15  H N N 125 
E6D H16  H N N 126 
E6D H17  H N N 127 
E6D H18  H N N 128 
E6D H19  H N N 129 
E6D H20  H N N 130 
E6D H21  H N N 131 
E6D H22  H N N 132 
E6D H23  H N N 133 
E6D H24  H N N 134 
E6D H25  H N N 135 
E6D H26  H N N 136 
E6D H27  H N N 137 
E6D H28  H N N 138 
E6D H29  H N N 139 
E6D C24  C N N 140 
E6D H30  H N N 141 
E6D H31  H N N 142 
E6D H32  H N N 143 
GLN N    N N N 144 
GLN CA   C N S 145 
GLN C    C N N 146 
GLN O    O N N 147 
GLN CB   C N N 148 
GLN CG   C N N 149 
GLN CD   C N N 150 
GLN OE1  O N N 151 
GLN NE2  N N N 152 
GLN OXT  O N N 153 
GLN H    H N N 154 
GLN H2   H N N 155 
GLN HA   H N N 156 
GLN HB2  H N N 157 
GLN HB3  H N N 158 
GLN HG2  H N N 159 
GLN HG3  H N N 160 
GLN HE21 H N N 161 
GLN HE22 H N N 162 
GLN HXT  H N N 163 
GLU N    N N N 164 
GLU CA   C N S 165 
GLU C    C N N 166 
GLU O    O N N 167 
GLU CB   C N N 168 
GLU CG   C N N 169 
GLU CD   C N N 170 
GLU OE1  O N N 171 
GLU OE2  O N N 172 
GLU OXT  O N N 173 
GLU H    H N N 174 
GLU H2   H N N 175 
GLU HA   H N N 176 
GLU HB2  H N N 177 
GLU HB3  H N N 178 
GLU HG2  H N N 179 
GLU HG3  H N N 180 
GLU HE2  H N N 181 
GLU HXT  H N N 182 
GLY N    N N N 183 
GLY CA   C N N 184 
GLY C    C N N 185 
GLY O    O N N 186 
GLY OXT  O N N 187 
GLY H    H N N 188 
GLY H2   H N N 189 
GLY HA2  H N N 190 
GLY HA3  H N N 191 
GLY HXT  H N N 192 
HIS N    N N N 193 
HIS CA   C N S 194 
HIS C    C N N 195 
HIS O    O N N 196 
HIS CB   C N N 197 
HIS CG   C Y N 198 
HIS ND1  N Y N 199 
HIS CD2  C Y N 200 
HIS CE1  C Y N 201 
HIS NE2  N Y N 202 
HIS OXT  O N N 203 
HIS H    H N N 204 
HIS H2   H N N 205 
HIS HA   H N N 206 
HIS HB2  H N N 207 
HIS HB3  H N N 208 
HIS HD1  H N N 209 
HIS HD2  H N N 210 
HIS HE1  H N N 211 
HIS HE2  H N N 212 
HIS HXT  H N N 213 
HOH O    O N N 214 
HOH H1   H N N 215 
HOH H2   H N N 216 
ILE N    N N N 217 
ILE CA   C N S 218 
ILE C    C N N 219 
ILE O    O N N 220 
ILE CB   C N S 221 
ILE CG1  C N N 222 
ILE CG2  C N N 223 
ILE CD1  C N N 224 
ILE OXT  O N N 225 
ILE H    H N N 226 
ILE H2   H N N 227 
ILE HA   H N N 228 
ILE HB   H N N 229 
ILE HG12 H N N 230 
ILE HG13 H N N 231 
ILE HG21 H N N 232 
ILE HG22 H N N 233 
ILE HG23 H N N 234 
ILE HD11 H N N 235 
ILE HD12 H N N 236 
ILE HD13 H N N 237 
ILE HXT  H N N 238 
LEU N    N N N 239 
LEU CA   C N S 240 
LEU C    C N N 241 
LEU O    O N N 242 
LEU CB   C N N 243 
LEU CG   C N N 244 
LEU CD1  C N N 245 
LEU CD2  C N N 246 
LEU OXT  O N N 247 
LEU H    H N N 248 
LEU H2   H N N 249 
LEU HA   H N N 250 
LEU HB2  H N N 251 
LEU HB3  H N N 252 
LEU HG   H N N 253 
LEU HD11 H N N 254 
LEU HD12 H N N 255 
LEU HD13 H N N 256 
LEU HD21 H N N 257 
LEU HD22 H N N 258 
LEU HD23 H N N 259 
LEU HXT  H N N 260 
LYS N    N N N 261 
LYS CA   C N S 262 
LYS C    C N N 263 
LYS O    O N N 264 
LYS CB   C N N 265 
LYS CG   C N N 266 
LYS CD   C N N 267 
LYS CE   C N N 268 
LYS NZ   N N N 269 
LYS OXT  O N N 270 
LYS H    H N N 271 
LYS H2   H N N 272 
LYS HA   H N N 273 
LYS HB2  H N N 274 
LYS HB3  H N N 275 
LYS HG2  H N N 276 
LYS HG3  H N N 277 
LYS HD2  H N N 278 
LYS HD3  H N N 279 
LYS HE2  H N N 280 
LYS HE3  H N N 281 
LYS HZ1  H N N 282 
LYS HZ2  H N N 283 
LYS HZ3  H N N 284 
LYS HXT  H N N 285 
PHE N    N N N 286 
PHE CA   C N S 287 
PHE C    C N N 288 
PHE O    O N N 289 
PHE CB   C N N 290 
PHE CG   C Y N 291 
PHE CD1  C Y N 292 
PHE CD2  C Y N 293 
PHE CE1  C Y N 294 
PHE CE2  C Y N 295 
PHE CZ   C Y N 296 
PHE OXT  O N N 297 
PHE H    H N N 298 
PHE H2   H N N 299 
PHE HA   H N N 300 
PHE HB2  H N N 301 
PHE HB3  H N N 302 
PHE HD1  H N N 303 
PHE HD2  H N N 304 
PHE HE1  H N N 305 
PHE HE2  H N N 306 
PHE HZ   H N N 307 
PHE HXT  H N N 308 
PRO N    N N N 309 
PRO CA   C N S 310 
PRO C    C N N 311 
PRO O    O N N 312 
PRO CB   C N N 313 
PRO CG   C N N 314 
PRO CD   C N N 315 
PRO OXT  O N N 316 
PRO H    H N N 317 
PRO HA   H N N 318 
PRO HB2  H N N 319 
PRO HB3  H N N 320 
PRO HG2  H N N 321 
PRO HG3  H N N 322 
PRO HD2  H N N 323 
PRO HD3  H N N 324 
PRO HXT  H N N 325 
SER N    N N N 326 
SER CA   C N S 327 
SER C    C N N 328 
SER O    O N N 329 
SER CB   C N N 330 
SER OG   O N N 331 
SER OXT  O N N 332 
SER H    H N N 333 
SER H2   H N N 334 
SER HA   H N N 335 
SER HB2  H N N 336 
SER HB3  H N N 337 
SER HG   H N N 338 
SER HXT  H N N 339 
THR N    N N N 340 
THR CA   C N S 341 
THR C    C N N 342 
THR O    O N N 343 
THR CB   C N R 344 
THR OG1  O N N 345 
THR CG2  C N N 346 
THR OXT  O N N 347 
THR H    H N N 348 
THR H2   H N N 349 
THR HA   H N N 350 
THR HB   H N N 351 
THR HG1  H N N 352 
THR HG21 H N N 353 
THR HG22 H N N 354 
THR HG23 H N N 355 
THR HXT  H N N 356 
TRP N    N N N 357 
TRP CA   C N S 358 
TRP C    C N N 359 
TRP O    O N N 360 
TRP CB   C N N 361 
TRP CG   C Y N 362 
TRP CD1  C Y N 363 
TRP CD2  C Y N 364 
TRP NE1  N Y N 365 
TRP CE2  C Y N 366 
TRP CE3  C Y N 367 
TRP CZ2  C Y N 368 
TRP CZ3  C Y N 369 
TRP CH2  C Y N 370 
TRP OXT  O N N 371 
TRP H    H N N 372 
TRP H2   H N N 373 
TRP HA   H N N 374 
TRP HB2  H N N 375 
TRP HB3  H N N 376 
TRP HD1  H N N 377 
TRP HE1  H N N 378 
TRP HE3  H N N 379 
TRP HZ2  H N N 380 
TRP HZ3  H N N 381 
TRP HH2  H N N 382 
TRP HXT  H N N 383 
TYR N    N N N 384 
TYR CA   C N S 385 
TYR C    C N N 386 
TYR O    O N N 387 
TYR CB   C N N 388 
TYR CG   C Y N 389 
TYR CD1  C Y N 390 
TYR CD2  C Y N 391 
TYR CE1  C Y N 392 
TYR CE2  C Y N 393 
TYR CZ   C Y N 394 
TYR OH   O N N 395 
TYR OXT  O N N 396 
TYR H    H N N 397 
TYR H2   H N N 398 
TYR HA   H N N 399 
TYR HB2  H N N 400 
TYR HB3  H N N 401 
TYR HD1  H N N 402 
TYR HD2  H N N 403 
TYR HE1  H N N 404 
TYR HE2  H N N 405 
TYR HH   H N N 406 
TYR HXT  H N N 407 
VAL N    N N N 408 
VAL CA   C N S 409 
VAL C    C N N 410 
VAL O    O N N 411 
VAL CB   C N N 412 
VAL CG1  C N N 413 
VAL CG2  C N N 414 
VAL OXT  O N N 415 
VAL H    H N N 416 
VAL H2   H N N 417 
VAL HA   H N N 418 
VAL HB   H N N 419 
VAL HG11 H N N 420 
VAL HG12 H N N 421 
VAL HG13 H N N 422 
VAL HG21 H N N 423 
VAL HG22 H N N 424 
VAL HG23 H N N 425 
VAL HXT  H N N 426 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
E6D C23 O17  sing N N 83  
E6D O18 C16  doub N N 84  
E6D O17 C16  sing N N 85  
E6D C16 C2   sing N N 86  
E6D C2  C3   sing N N 87  
E6D O1  C3   sing N N 88  
E6D C3  C4   sing N N 89  
E6D C4  O5   doub N N 90  
E6D C4  N6   sing N N 91  
E6D N6  C7   sing N N 92  
E6D C7  C8   sing N N 93  
E6D C7  C19  sing N N 94  
E6D O9  C8   doub N N 95  
E6D C8  N10  sing N N 96  
E6D C19 C20  sing N N 97  
E6D C22 C20  sing N N 98  
E6D C20 C21  sing N N 99  
E6D N10 C11  sing N N 100 
E6D C12 C11  sing N N 101 
E6D C12 C13  sing N N 102 
E6D C13 C15  sing N N 103 
E6D C13 C14  sing N N 104 
E6D C14 H1   sing N N 105 
E6D C14 H2   sing N N 106 
E6D C14 H3   sing N N 107 
E6D C13 H4   sing N N 108 
E6D C15 H5   sing N N 109 
E6D C15 H6   sing N N 110 
E6D C15 H7   sing N N 111 
E6D C12 H8   sing N N 112 
E6D C12 H9   sing N N 113 
E6D C11 H10  sing N N 114 
E6D C11 H11  sing N N 115 
E6D N10 H12  sing N N 116 
E6D C7  H13  sing N N 117 
E6D C19 H14  sing N N 118 
E6D C19 H15  sing N N 119 
E6D C20 H16  sing N N 120 
E6D C22 H17  sing N N 121 
E6D C22 H18  sing N N 122 
E6D C22 H19  sing N N 123 
E6D C21 H20  sing N N 124 
E6D C21 H21  sing N N 125 
E6D C21 H22  sing N N 126 
E6D N6  H23  sing N N 127 
E6D C3  H24  sing N N 128 
E6D O1  H25  sing N N 129 
E6D C2  H26  sing N N 130 
E6D C2  H27  sing N N 131 
E6D C23 H28  sing N N 132 
E6D C23 H29  sing N N 133 
E6D C23 C24  sing N N 134 
E6D C24 H30  sing N N 135 
E6D C24 H31  sing N N 136 
E6D C24 H32  sing N N 137 
GLN N   CA   sing N N 138 
GLN N   H    sing N N 139 
GLN N   H2   sing N N 140 
GLN CA  C    sing N N 141 
GLN CA  CB   sing N N 142 
GLN CA  HA   sing N N 143 
GLN C   O    doub N N 144 
GLN C   OXT  sing N N 145 
GLN CB  CG   sing N N 146 
GLN CB  HB2  sing N N 147 
GLN CB  HB3  sing N N 148 
GLN CG  CD   sing N N 149 
GLN CG  HG2  sing N N 150 
GLN CG  HG3  sing N N 151 
GLN CD  OE1  doub N N 152 
GLN CD  NE2  sing N N 153 
GLN NE2 HE21 sing N N 154 
GLN NE2 HE22 sing N N 155 
GLN OXT HXT  sing N N 156 
GLU N   CA   sing N N 157 
GLU N   H    sing N N 158 
GLU N   H2   sing N N 159 
GLU CA  C    sing N N 160 
GLU CA  CB   sing N N 161 
GLU CA  HA   sing N N 162 
GLU C   O    doub N N 163 
GLU C   OXT  sing N N 164 
GLU CB  CG   sing N N 165 
GLU CB  HB2  sing N N 166 
GLU CB  HB3  sing N N 167 
GLU CG  CD   sing N N 168 
GLU CG  HG2  sing N N 169 
GLU CG  HG3  sing N N 170 
GLU CD  OE1  doub N N 171 
GLU CD  OE2  sing N N 172 
GLU OE2 HE2  sing N N 173 
GLU OXT HXT  sing N N 174 
GLY N   CA   sing N N 175 
GLY N   H    sing N N 176 
GLY N   H2   sing N N 177 
GLY CA  C    sing N N 178 
GLY CA  HA2  sing N N 179 
GLY CA  HA3  sing N N 180 
GLY C   O    doub N N 181 
GLY C   OXT  sing N N 182 
GLY OXT HXT  sing N N 183 
HIS N   CA   sing N N 184 
HIS N   H    sing N N 185 
HIS N   H2   sing N N 186 
HIS CA  C    sing N N 187 
HIS CA  CB   sing N N 188 
HIS CA  HA   sing N N 189 
HIS C   O    doub N N 190 
HIS C   OXT  sing N N 191 
HIS CB  CG   sing N N 192 
HIS CB  HB2  sing N N 193 
HIS CB  HB3  sing N N 194 
HIS CG  ND1  sing Y N 195 
HIS CG  CD2  doub Y N 196 
HIS ND1 CE1  doub Y N 197 
HIS ND1 HD1  sing N N 198 
HIS CD2 NE2  sing Y N 199 
HIS CD2 HD2  sing N N 200 
HIS CE1 NE2  sing Y N 201 
HIS CE1 HE1  sing N N 202 
HIS NE2 HE2  sing N N 203 
HIS OXT HXT  sing N N 204 
HOH O   H1   sing N N 205 
HOH O   H2   sing N N 206 
ILE N   CA   sing N N 207 
ILE N   H    sing N N 208 
ILE N   H2   sing N N 209 
ILE CA  C    sing N N 210 
ILE CA  CB   sing N N 211 
ILE CA  HA   sing N N 212 
ILE C   O    doub N N 213 
ILE C   OXT  sing N N 214 
ILE CB  CG1  sing N N 215 
ILE CB  CG2  sing N N 216 
ILE CB  HB   sing N N 217 
ILE CG1 CD1  sing N N 218 
ILE CG1 HG12 sing N N 219 
ILE CG1 HG13 sing N N 220 
ILE CG2 HG21 sing N N 221 
ILE CG2 HG22 sing N N 222 
ILE CG2 HG23 sing N N 223 
ILE CD1 HD11 sing N N 224 
ILE CD1 HD12 sing N N 225 
ILE CD1 HD13 sing N N 226 
ILE OXT HXT  sing N N 227 
LEU N   CA   sing N N 228 
LEU N   H    sing N N 229 
LEU N   H2   sing N N 230 
LEU CA  C    sing N N 231 
LEU CA  CB   sing N N 232 
LEU CA  HA   sing N N 233 
LEU C   O    doub N N 234 
LEU C   OXT  sing N N 235 
LEU CB  CG   sing N N 236 
LEU CB  HB2  sing N N 237 
LEU CB  HB3  sing N N 238 
LEU CG  CD1  sing N N 239 
LEU CG  CD2  sing N N 240 
LEU CG  HG   sing N N 241 
LEU CD1 HD11 sing N N 242 
LEU CD1 HD12 sing N N 243 
LEU CD1 HD13 sing N N 244 
LEU CD2 HD21 sing N N 245 
LEU CD2 HD22 sing N N 246 
LEU CD2 HD23 sing N N 247 
LEU OXT HXT  sing N N 248 
LYS N   CA   sing N N 249 
LYS N   H    sing N N 250 
LYS N   H2   sing N N 251 
LYS CA  C    sing N N 252 
LYS CA  CB   sing N N 253 
LYS CA  HA   sing N N 254 
LYS C   O    doub N N 255 
LYS C   OXT  sing N N 256 
LYS CB  CG   sing N N 257 
LYS CB  HB2  sing N N 258 
LYS CB  HB3  sing N N 259 
LYS CG  CD   sing N N 260 
LYS CG  HG2  sing N N 261 
LYS CG  HG3  sing N N 262 
LYS CD  CE   sing N N 263 
LYS CD  HD2  sing N N 264 
LYS CD  HD3  sing N N 265 
LYS CE  NZ   sing N N 266 
LYS CE  HE2  sing N N 267 
LYS CE  HE3  sing N N 268 
LYS NZ  HZ1  sing N N 269 
LYS NZ  HZ2  sing N N 270 
LYS NZ  HZ3  sing N N 271 
LYS OXT HXT  sing N N 272 
PHE N   CA   sing N N 273 
PHE N   H    sing N N 274 
PHE N   H2   sing N N 275 
PHE CA  C    sing N N 276 
PHE CA  CB   sing N N 277 
PHE CA  HA   sing N N 278 
PHE C   O    doub N N 279 
PHE C   OXT  sing N N 280 
PHE CB  CG   sing N N 281 
PHE CB  HB2  sing N N 282 
PHE CB  HB3  sing N N 283 
PHE CG  CD1  doub Y N 284 
PHE CG  CD2  sing Y N 285 
PHE CD1 CE1  sing Y N 286 
PHE CD1 HD1  sing N N 287 
PHE CD2 CE2  doub Y N 288 
PHE CD2 HD2  sing N N 289 
PHE CE1 CZ   doub Y N 290 
PHE CE1 HE1  sing N N 291 
PHE CE2 CZ   sing Y N 292 
PHE CE2 HE2  sing N N 293 
PHE CZ  HZ   sing N N 294 
PHE OXT HXT  sing N N 295 
PRO N   CA   sing N N 296 
PRO N   CD   sing N N 297 
PRO N   H    sing N N 298 
PRO CA  C    sing N N 299 
PRO CA  CB   sing N N 300 
PRO CA  HA   sing N N 301 
PRO C   O    doub N N 302 
PRO C   OXT  sing N N 303 
PRO CB  CG   sing N N 304 
PRO CB  HB2  sing N N 305 
PRO CB  HB3  sing N N 306 
PRO CG  CD   sing N N 307 
PRO CG  HG2  sing N N 308 
PRO CG  HG3  sing N N 309 
PRO CD  HD2  sing N N 310 
PRO CD  HD3  sing N N 311 
PRO OXT HXT  sing N N 312 
SER N   CA   sing N N 313 
SER N   H    sing N N 314 
SER N   H2   sing N N 315 
SER CA  C    sing N N 316 
SER CA  CB   sing N N 317 
SER CA  HA   sing N N 318 
SER C   O    doub N N 319 
SER C   OXT  sing N N 320 
SER CB  OG   sing N N 321 
SER CB  HB2  sing N N 322 
SER CB  HB3  sing N N 323 
SER OG  HG   sing N N 324 
SER OXT HXT  sing N N 325 
THR N   CA   sing N N 326 
THR N   H    sing N N 327 
THR N   H2   sing N N 328 
THR CA  C    sing N N 329 
THR CA  CB   sing N N 330 
THR CA  HA   sing N N 331 
THR C   O    doub N N 332 
THR C   OXT  sing N N 333 
THR CB  OG1  sing N N 334 
THR CB  CG2  sing N N 335 
THR CB  HB   sing N N 336 
THR OG1 HG1  sing N N 337 
THR CG2 HG21 sing N N 338 
THR CG2 HG22 sing N N 339 
THR CG2 HG23 sing N N 340 
THR OXT HXT  sing N N 341 
TRP N   CA   sing N N 342 
TRP N   H    sing N N 343 
TRP N   H2   sing N N 344 
TRP CA  C    sing N N 345 
TRP CA  CB   sing N N 346 
TRP CA  HA   sing N N 347 
TRP C   O    doub N N 348 
TRP C   OXT  sing N N 349 
TRP CB  CG   sing N N 350 
TRP CB  HB2  sing N N 351 
TRP CB  HB3  sing N N 352 
TRP CG  CD1  doub Y N 353 
TRP CG  CD2  sing Y N 354 
TRP CD1 NE1  sing Y N 355 
TRP CD1 HD1  sing N N 356 
TRP CD2 CE2  doub Y N 357 
TRP CD2 CE3  sing Y N 358 
TRP NE1 CE2  sing Y N 359 
TRP NE1 HE1  sing N N 360 
TRP CE2 CZ2  sing Y N 361 
TRP CE3 CZ3  doub Y N 362 
TRP CE3 HE3  sing N N 363 
TRP CZ2 CH2  doub Y N 364 
TRP CZ2 HZ2  sing N N 365 
TRP CZ3 CH2  sing Y N 366 
TRP CZ3 HZ3  sing N N 367 
TRP CH2 HH2  sing N N 368 
TRP OXT HXT  sing N N 369 
TYR N   CA   sing N N 370 
TYR N   H    sing N N 371 
TYR N   H2   sing N N 372 
TYR CA  C    sing N N 373 
TYR CA  CB   sing N N 374 
TYR CA  HA   sing N N 375 
TYR C   O    doub N N 376 
TYR C   OXT  sing N N 377 
TYR CB  CG   sing N N 378 
TYR CB  HB2  sing N N 379 
TYR CB  HB3  sing N N 380 
TYR CG  CD1  doub Y N 381 
TYR CG  CD2  sing Y N 382 
TYR CD1 CE1  sing Y N 383 
TYR CD1 HD1  sing N N 384 
TYR CD2 CE2  doub Y N 385 
TYR CD2 HD2  sing N N 386 
TYR CE1 CZ   doub Y N 387 
TYR CE1 HE1  sing N N 388 
TYR CE2 CZ   sing Y N 389 
TYR CE2 HE2  sing N N 390 
TYR CZ  OH   sing N N 391 
TYR OH  HH   sing N N 392 
TYR OXT HXT  sing N N 393 
VAL N   CA   sing N N 394 
VAL N   H    sing N N 395 
VAL N   H2   sing N N 396 
VAL CA  C    sing N N 397 
VAL CA  CB   sing N N 398 
VAL CA  HA   sing N N 399 
VAL C   O    doub N N 400 
VAL C   OXT  sing N N 401 
VAL CB  CG1  sing N N 402 
VAL CB  CG2  sing N N 403 
VAL CB  HB   sing N N 404 
VAL CG1 HG11 sing N N 405 
VAL CG1 HG12 sing N N 406 
VAL CG1 HG13 sing N N 407 
VAL CG2 HG21 sing N N 408 
VAL CG2 HG22 sing N N 409 
VAL CG2 HG23 sing N N 410 
VAL OXT HXT  sing N N 411 
# 
_em_3d_crystal_entity.angle_alpha           90 
_em_3d_crystal_entity.angle_beta            90 
_em_3d_crystal_entity.angle_gamma           90 
_em_3d_crystal_entity.image_processing_id   1 
_em_3d_crystal_entity.id                    1 
_em_3d_crystal_entity.length_a              42.08 
_em_3d_crystal_entity.length_b              49.34 
_em_3d_crystal_entity.length_c              100.92 
_em_3d_crystal_entity.space_group_name      'P 21 21 21' 
_em_3d_crystal_entity.space_group_num       19 
# 
_em_ctf_correction.details                  ? 
_em_ctf_correction.em_image_processing_id   1 
_em_ctf_correction.id                       1 
_em_ctf_correction.type                     NONE 
# 
_em_diffraction_shell.em_diffraction_stats_id   1 
_em_diffraction_shell.fourier_space_coverage    93.6 
_em_diffraction_shell.high_resolution           2.3 
_em_diffraction_shell.id                        1 
_em_diffraction_shell.low_resolution            2.4 
_em_diffraction_shell.multiplicity              4.1 
_em_diffraction_shell.num_structure_factors     1076 
_em_diffraction_shell.phase_residual            26.2 
# 
_em_diffraction_stats.details                          ? 
_em_diffraction_stats.fourier_space_coverage           94.5 
_em_diffraction_stats.high_resolution                  2.3 
_em_diffraction_stats.id                               1 
_em_diffraction_stats.image_processing_id              1 
_em_diffraction_stats.num_intensities_measured         37992 
_em_diffraction_stats.num_structure_factors            9338 
_em_diffraction_stats.overall_phase_error              ? 
_em_diffraction_stats.overall_phase_residual           ? 
_em_diffraction_stats.phase_error_rejection_criteria   0 
_em_diffraction_stats.r_merge                          34.4 
_em_diffraction_stats.r_sym                            ? 
# 
_em_entity_assembly_naturalsource.cell                 ? 
_em_entity_assembly_naturalsource.cellular_location    ? 
_em_entity_assembly_naturalsource.entity_assembly_id   1 
_em_entity_assembly_naturalsource.id                   2 
_em_entity_assembly_naturalsource.ncbi_tax_id          3649 
_em_entity_assembly_naturalsource.organism             'Carica papaya' 
_em_entity_assembly_naturalsource.organelle            ? 
_em_entity_assembly_naturalsource.organ                ? 
_em_entity_assembly_naturalsource.strain               ? 
_em_entity_assembly_naturalsource.tissue               ? 
_em_entity_assembly_naturalsource.details              ? 
# 
_em_image_processing.details              ? 
_em_image_processing.id                   1 
_em_image_processing.image_recording_id   1 
# 
_em_image_recording.average_exposure_time               ? 
_em_image_recording.avg_electron_dose_per_subtomogram   ? 
_em_image_recording.avg_electron_dose_per_image         0.045 
_em_image_recording.details                             ? 
_em_image_recording.detector_mode                       ? 
_em_image_recording.film_or_detector_model              'DIRECT ELECTRON APOLLO (4k x 4k)' 
_em_image_recording.id                                  1 
_em_image_recording.imaging_id                          1 
_em_image_recording.num_diffraction_images              ? 
_em_image_recording.num_grids_imaged                    ? 
_em_image_recording.num_real_images                     ? 
# 
loop_
_em_software.category 
_em_software.details 
_em_software.id 
_em_software.image_processing_id 
_em_software.fitting_id 
_em_software.imaging_id 
_em_software.name 
_em_software.version 
'IMAGE ACQUISITION'             ? 1  ? ? 1 ? ? 
MASKING                         ? 2  ? ? ? ? ? 
'CTF CORRECTION'                ? 3  1 ? ? ? ? 
'LAYERLINE INDEXING'            ? 4  ? ? ? ? ? 
'DIFFRACTION INDEXING'          ? 5  ? ? ? ? ? 
'MODEL FITTING'                 ? 6  ? 1 ? ? ? 
OTHER                           ? 7  ? ? ? ? ? 
'MOLECULAR REPLACEMENT'         ? 8  1 ? ? ? ? 
'LATTICE DISTORTION CORRECTION' ? 9  1 ? ? ? ? 
'SYMMETRY DETERMINATION'        ? 10 1 ? ? ? ? 
'CRYSTALLOGRAPHY MERGING'       ? 11 1 ? ? ? ? 
RECONSTRUCTION                  ? 12 1 ? ? ? ? 
'MODEL REFINEMENT'              ? 13 ? 1 ? ? ? 
# 
_em_specimen.concentration           ? 
_em_specimen.details                 ? 
_em_specimen.embedding_applied       NO 
_em_specimen.experiment_id           1 
_em_specimen.id                      1 
_em_specimen.shadowing_applied       NO 
_em_specimen.staining_applied        NO 
_em_specimen.vitrification_applied   YES 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'National Science Foundation (NSF, United States)' 'United States' DMR-1548924       1 
'Howard Hughes Medical Institute (HHMI)'           'United States' HHMI-EPI          2 
'Department of Energy (DOE, United States)'        'United States' DE-FC02-02ER63421 3 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   9PAP 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9NBQ 
_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]   0.023764 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.020268 
_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]   0.009909 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . ILE A 1 1   ? 22.142  -10.218 20.592 1.00 4.06  ? 1   ILE A N   1 
ATOM   2    C CA  . ILE A 1 1   ? 21.906  -9.177  19.601 1.00 14.85 ? 1   ILE A CA  1 
ATOM   3    C C   . ILE A 1 1   ? 23.187  -8.380  19.400 1.00 9.71  ? 1   ILE A C   1 
ATOM   4    O O   . ILE A 1 1   ? 24.004  -8.273  20.315 1.00 12.69 ? 1   ILE A O   1 
ATOM   5    C CB  . ILE A 1 1   ? 20.720  -8.284  19.994 1.00 10.44 ? 1   ILE A CB  1 
ATOM   6    C CG1 . ILE A 1 1   ? 21.042  -7.456  21.235 1.00 12.29 ? 1   ILE A CG1 1 
ATOM   7    C CG2 . ILE A 1 1   ? 19.475  -9.142  20.190 1.00 14.11 ? 1   ILE A CG2 1 
ATOM   8    C CD1 . ILE A 1 1   ? 19.869  -6.569  21.711 1.00 8.27  ? 1   ILE A CD1 1 
ATOM   9    N N   . PRO A 1 2   ? 23.353  -7.794  18.219 1.00 13.32 ? 2   PRO A N   1 
ATOM   10   C CA  . PRO A 1 2   ? 24.641  -7.206  17.856 1.00 13.14 ? 2   PRO A CA  1 
ATOM   11   C C   . PRO A 1 2   ? 24.839  -5.820  18.453 1.00 29.04 ? 2   PRO A C   1 
ATOM   12   O O   . PRO A 1 2   ? 23.926  -5.199  19.003 1.00 12.42 ? 2   PRO A O   1 
ATOM   13   C CB  . PRO A 1 2   ? 24.557  -7.127  16.328 1.00 21.63 ? 2   PRO A CB  1 
ATOM   14   C CG  . PRO A 1 2   ? 23.464  -8.082  15.961 1.00 25.63 ? 2   PRO A CG  1 
ATOM   15   C CD  . PRO A 1 2   ? 22.482  -7.901  17.041 1.00 13.20 ? 2   PRO A CD  1 
ATOM   16   N N   . GLU A 1 3   ? 26.090  -5.358  18.361 1.00 17.54 ? 3   GLU A N   1 
ATOM   17   C CA  . GLU A 1 3   ? 26.452  -4.083  18.960 1.00 15.71 ? 3   GLU A CA  1 
ATOM   18   C C   . GLU A 1 3   ? 25.986  -2.911  18.116 1.00 14.46 ? 3   GLU A C   1 
ATOM   19   O O   . GLU A 1 3   ? 25.782  -1.813  18.646 1.00 17.00 ? 3   GLU A O   1 
ATOM   20   C CB  . GLU A 1 3   ? 27.960  -4.013  19.177 1.00 13.07 ? 3   GLU A CB  1 
ATOM   21   C CG  . GLU A 1 3   ? 28.361  -3.851  20.632 1.00 46.76 ? 3   GLU A CG  1 
ATOM   22   C CD  . GLU A 1 3   ? 29.859  -3.889  20.819 1.00 59.76 ? 3   GLU A CD  1 
ATOM   23   O OE1 . GLU A 1 3   ? 30.502  -2.814  20.731 1.00 49.89 ? 3   GLU A OE1 1 
ATOM   24   O OE2 . GLU A 1 3   ? 30.391  -4.996  21.046 1.00 43.92 ? 3   GLU A OE2 1 
ATOM   25   N N   . TYR A 1 4   ? 25.827  -3.119  16.818 1.00 9.64  ? 4   TYR A N   1 
ATOM   26   C CA  . TYR A 1 4   ? 25.228  -2.140  15.926 1.00 18.98 ? 4   TYR A CA  1 
ATOM   27   C C   . TYR A 1 4   ? 24.073  -2.773  15.165 1.00 9.33  ? 4   TYR A C   1 
ATOM   28   O O   . TYR A 1 4   ? 24.167  -3.914  14.705 1.00 19.10 ? 4   TYR A O   1 
ATOM   29   C CB  . TYR A 1 4   ? 26.269  -1.561  14.952 1.00 18.94 ? 4   TYR A CB  1 
ATOM   30   C CG  . TYR A 1 4   ? 27.220  -0.566  15.593 1.00 9.43  ? 4   TYR A CG  1 
ATOM   31   C CD1 . TYR A 1 4   ? 26.884  0.780   15.655 1.00 9.53  ? 4   TYR A CD1 1 
ATOM   32   C CD2 . TYR A 1 4   ? 28.435  -0.964  16.146 1.00 21.52 ? 4   TYR A CD2 1 
ATOM   33   C CE1 . TYR A 1 4   ? 27.733  1.719   16.235 1.00 18.39 ? 4   TYR A CE1 1 
ATOM   34   C CE2 . TYR A 1 4   ? 29.297  -0.028  16.736 1.00 27.97 ? 4   TYR A CE2 1 
ATOM   35   C CZ  . TYR A 1 4   ? 28.936  1.314   16.767 1.00 26.20 ? 4   TYR A CZ  1 
ATOM   36   O OH  . TYR A 1 4   ? 29.758  2.261   17.341 1.00 19.91 ? 4   TYR A OH  1 
ATOM   37   N N   . VAL A 1 5   ? 22.982  -2.023  15.048 1.00 14.84 ? 5   VAL A N   1 
ATOM   38   C CA  . VAL A 1 5   ? 21.858  -2.362  14.185 1.00 9.81  ? 5   VAL A CA  1 
ATOM   39   C C   . VAL A 1 5   ? 21.529  -1.120  13.380 1.00 4.30  ? 5   VAL A C   1 
ATOM   40   O O   . VAL A 1 5   ? 21.578  -0.003  13.906 1.00 14.81 ? 5   VAL A O   1 
ATOM   41   C CB  . VAL A 1 5   ? 20.632  -2.849  14.992 1.00 12.95 ? 5   VAL A CB  1 
ATOM   42   C CG1 . VAL A 1 5   ? 19.406  -2.971  14.098 1.00 6.43  ? 5   VAL A CG1 1 
ATOM   43   C CG2 . VAL A 1 5   ? 20.939  -4.197  15.632 1.00 4.27  ? 5   VAL A CG2 1 
ATOM   44   N N   . ASP A 1 6   ? 21.255  -1.303  12.090 1.00 12.57 ? 6   ASP A N   1 
ATOM   45   C CA  . ASP A 1 6   ? 20.859  -0.180  11.243 1.00 17.03 ? 6   ASP A CA  1 
ATOM   46   C C   . ASP A 1 6   ? 20.008  -0.788  10.131 1.00 4.60  ? 6   ASP A C   1 
ATOM   47   O O   . ASP A 1 6   ? 20.545  -1.348  9.170  1.00 7.12  ? 6   ASP A O   1 
ATOM   48   C CB  . ASP A 1 6   ? 22.086  0.554   10.699 1.00 19.45 ? 6   ASP A CB  1 
ATOM   49   C CG  . ASP A 1 6   ? 21.743  1.844   9.946  1.00 19.82 ? 6   ASP A CG  1 
ATOM   50   O OD1 . ASP A 1 6   ? 20.578  2.056   9.551  1.00 13.56 ? 6   ASP A OD1 1 
ATOM   51   O OD2 . ASP A 1 6   ? 22.666  2.661   9.746  1.00 25.19 ? 6   ASP A OD2 1 
ATOM   52   N N   . TRP A 1 7   ? 18.689  -0.749  10.308 1.00 16.67 ? 7   TRP A N   1 
ATOM   53   C CA  . TRP A 1 7   ? 17.801  -1.368  9.332  1.00 4.99  ? 7   TRP A CA  1 
ATOM   54   C C   . TRP A 1 7   ? 17.872  -0.698  7.967  1.00 14.72 ? 7   TRP A C   1 
ATOM   55   O O   . TRP A 1 7   ? 17.394  -1.276  6.988  1.00 19.40 ? 7   TRP A O   1 
ATOM   56   C CB  . TRP A 1 7   ? 16.379  -1.372  9.877  1.00 19.96 ? 7   TRP A CB  1 
ATOM   57   C CG  . TRP A 1 7   ? 16.199  -2.467  10.886 1.00 27.58 ? 7   TRP A CG  1 
ATOM   58   C CD1 . TRP A 1 7   ? 16.057  -2.334  12.242 1.00 16.06 ? 7   TRP A CD1 1 
ATOM   59   C CD2 . TRP A 1 7   ? 16.183  -3.874  10.615 1.00 14.75 ? 7   TRP A CD2 1 
ATOM   60   N NE1 . TRP A 1 7   ? 15.943  -3.576  12.828 1.00 20.08 ? 7   TRP A NE1 1 
ATOM   61   C CE2 . TRP A 1 7   ? 16.020  -4.537  11.852 1.00 24.20 ? 7   TRP A CE2 1 
ATOM   62   C CE3 . TRP A 1 7   ? 16.293  -4.637  9.445  1.00 23.32 ? 7   TRP A CE3 1 
ATOM   63   C CZ2 . TRP A 1 7   ? 15.956  -5.932  11.950 1.00 11.41 ? 7   TRP A CZ2 1 
ATOM   64   C CZ3 . TRP A 1 7   ? 16.234  -6.024  9.545  1.00 24.84 ? 7   TRP A CZ3 1 
ATOM   65   C CH2 . TRP A 1 7   ? 16.067  -6.654  10.791 1.00 25.94 ? 7   TRP A CH2 1 
ATOM   66   N N   . ARG A 1 8   ? 18.413  0.524   7.885  1.00 16.79 ? 8   ARG A N   1 
ATOM   67   C CA  . ARG A 1 8   ? 18.635  1.161   6.589  1.00 19.48 ? 8   ARG A CA  1 
ATOM   68   C C   . ARG A 1 8   ? 19.641  0.382   5.747  1.00 16.13 ? 8   ARG A C   1 
ATOM   69   O O   . ARG A 1 8   ? 19.506  0.295   4.521  1.00 19.03 ? 8   ARG A O   1 
ATOM   70   C CB  . ARG A 1 8   ? 19.126  2.595   6.791  1.00 3.53  ? 8   ARG A CB  1 
ATOM   71   C CG  . ARG A 1 8   ? 18.169  3.460   7.565  1.00 29.72 ? 8   ARG A CG  1 
ATOM   72   C CD  . ARG A 1 8   ? 18.786  4.817   7.819  1.00 21.82 ? 8   ARG A CD  1 
ATOM   73   N NE  . ARG A 1 8   ? 19.945  4.721   8.695  1.00 12.12 ? 8   ARG A NE  1 
ATOM   74   C CZ  . ARG A 1 8   ? 20.631  5.764   9.136  1.00 10.37 ? 8   ARG A CZ  1 
ATOM   75   N NH1 . ARG A 1 8   ? 20.305  6.996   8.793  1.00 9.98  ? 8   ARG A NH1 1 
ATOM   76   N NH2 . ARG A 1 8   ? 21.681  5.562   9.930  1.00 22.16 ? 8   ARG A NH2 1 
ATOM   77   N N   . GLN A 1 9   ? 20.667  -0.176  6.389  1.00 12.62 ? 9   GLN A N   1 
ATOM   78   C CA  . GLN A 1 9   ? 21.683  -0.915  5.662  1.00 20.31 ? 9   GLN A CA  1 
ATOM   79   C C   . GLN A 1 9   ? 21.138  -2.237  5.160  1.00 19.33 ? 9   GLN A C   1 
ATOM   80   O O   . GLN A 1 9   ? 21.654  -2.788  4.180  1.00 25.98 ? 9   GLN A O   1 
ATOM   81   C CB  . GLN A 1 9   ? 22.892  -1.166  6.551  1.00 25.60 ? 9   GLN A CB  1 
ATOM   82   C CG  . GLN A 1 9   ? 23.599  0.076   7.039  1.00 21.85 ? 9   GLN A CG  1 
ATOM   83   C CD  . GLN A 1 9   ? 24.772  -0.285  7.934  1.00 36.00 ? 9   GLN A CD  1 
ATOM   84   O OE1 . GLN A 1 9   ? 24.591  -0.890  8.994  1.00 25.71 ? 9   GLN A OE1 1 
ATOM   85   N NE2 . GLN A 1 9   ? 25.976  0.080   7.514  1.00 31.98 ? 9   GLN A NE2 1 
ATOM   86   N N   A LYS A 1 10  ? 20.110  -2.765  5.813  0.62 10.85 ? 10  LYS A N   1 
ATOM   87   N N   B LYS A 1 10  ? 20.103  -2.754  5.810  0.38 11.60 ? 10  LYS A N   1 
ATOM   88   C CA  A LYS A 1 10  ? 19.475  -3.998  5.382  0.62 10.70 ? 10  LYS A CA  1 
ATOM   89   C CA  B LYS A 1 10  ? 19.449  -3.988  5.410  0.38 11.73 ? 10  LYS A CA  1 
ATOM   90   C C   A LYS A 1 10  ? 18.329  -3.748  4.410  0.62 16.09 ? 10  LYS A C   1 
ATOM   91   C C   B LYS A 1 10  ? 18.350  -3.754  4.382  0.38 16.19 ? 10  LYS A C   1 
ATOM   92   O O   A LYS A 1 10  ? 17.570  -4.675  4.112  0.62 16.36 ? 10  LYS A O   1 
ATOM   93   O O   B LYS A 1 10  ? 17.639  -4.699  4.024  0.38 16.25 ? 10  LYS A O   1 
ATOM   94   C CB  A LYS A 1 10  ? 19.001  -4.796  6.604  0.62 12.91 ? 10  LYS A CB  1 
ATOM   95   C CB  B LYS A 1 10  ? 18.886  -4.690  6.646  0.38 12.92 ? 10  LYS A CB  1 
ATOM   96   C CG  A LYS A 1 10  ? 20.144  -5.558  7.306  0.62 11.37 ? 10  LYS A CG  1 
ATOM   97   C CG  B LYS A 1 10  ? 19.945  -5.360  7.520  0.38 11.52 ? 10  LYS A CG  1 
ATOM   98   C CD  A LYS A 1 10  ? 19.653  -6.781  8.068  0.62 13.53 ? 10  LYS A CD  1 
ATOM   99   C CD  B LYS A 1 10  ? 19.492  -5.355  8.963  0.38 17.98 ? 10  LYS A CD  1 
ATOM   100  C CE  A LYS A 1 10  ? 20.283  -8.058  7.558  0.62 21.85 ? 10  LYS A CE  1 
ATOM   101  C CE  B LYS A 1 10  ? 20.262  -6.324  9.837  0.38 19.19 ? 10  LYS A CE  1 
ATOM   102  N NZ  A LYS A 1 10  ? 19.775  -8.424  6.205  0.62 21.53 ? 10  LYS A NZ  1 
ATOM   103  N NZ  B LYS A 1 10  ? 19.889  -6.109  11.262 0.38 6.50  ? 10  LYS A NZ  1 
ATOM   104  N N   . GLY A 1 11  ? 18.202  -2.522  3.900  1.00 25.16 ? 11  GLY A N   1 
ATOM   105  C CA  . GLY A 1 11  ? 17.193  -2.209  2.899  1.00 16.80 ? 11  GLY A CA  1 
ATOM   106  C C   . GLY A 1 11  ? 15.772  -2.336  3.390  1.00 20.52 ? 11  GLY A C   1 
ATOM   107  O O   . GLY A 1 11  ? 14.877  -2.656  2.600  1.00 33.73 ? 11  GLY A O   1 
ATOM   108  N N   . ALA A 1 12  ? 15.538  -2.069  4.674  1.00 10.39 ? 12  ALA A N   1 
ATOM   109  C CA  . ALA A 1 12  ? 14.247  -2.260  5.327  1.00 19.49 ? 12  ALA A CA  1 
ATOM   110  C C   . ALA A 1 12  ? 13.597  -0.939  5.718  1.00 13.05 ? 12  ALA A C   1 
ATOM   111  O O   . ALA A 1 12  ? 12.629  -0.930  6.487  1.00 23.58 ? 12  ALA A O   1 
ATOM   112  C CB  . ALA A 1 12  ? 14.389  -3.159  6.557  1.00 18.63 ? 12  ALA A CB  1 
ATOM   113  N N   . VAL A 1 13  ? 14.130  0.177   5.239  1.00 13.27 ? 13  VAL A N   1 
ATOM   114  C CA  . VAL A 1 13  ? 13.655  1.503   5.598  1.00 13.25 ? 13  VAL A CA  1 
ATOM   115  C C   . VAL A 1 13  ? 13.440  2.290   4.314  1.00 18.04 ? 13  VAL A C   1 
ATOM   116  O O   . VAL A 1 13  ? 14.334  2.354   3.461  1.00 26.84 ? 13  VAL A O   1 
ATOM   117  C CB  . VAL A 1 13  ? 14.648  2.234   6.517  1.00 12.42 ? 13  VAL A CB  1 
ATOM   118  C CG1 . VAL A 1 13  ? 14.045  3.543   6.971  1.00 7.18  ? 13  VAL A CG1 1 
ATOM   119  C CG2 . VAL A 1 13  ? 15.012  1.357   7.705  1.00 13.55 ? 13  VAL A CG2 1 
ATOM   120  N N   . THR A 1 14  ? 12.248  2.850   4.160  1.00 14.60 ? 14  THR A N   1 
ATOM   121  C CA  . THR A 1 14  ? 11.912  3.673   3.008  1.00 9.20  ? 14  THR A CA  1 
ATOM   122  C C   . THR A 1 14  ? 12.409  5.096   3.240  1.00 12.79 ? 14  THR A C   1 
ATOM   123  O O   . THR A 1 14  ? 12.928  5.418   4.313  1.00 9.93  ? 14  THR A O   1 
ATOM   124  C CB  . THR A 1 14  ? 10.403  3.619   2.770  1.00 12.59 ? 14  THR A CB  1 
ATOM   125  O OG1 . THR A 1 14  ? 9.716   4.327   3.811  1.00 11.68 ? 14  THR A OG1 1 
ATOM   126  C CG2 . THR A 1 14  ? 9.942   2.177   2.765  1.00 12.96 ? 14  THR A CG2 1 
ATOM   127  N N   . PRO A 1 15  ? 12.339  5.961   2.227  1.00 6.07  ? 15  PRO A N   1 
ATOM   128  C CA  . PRO A 1 15  ? 12.794  7.338   2.428  1.00 9.54  ? 15  PRO A CA  1 
ATOM   129  C C   . PRO A 1 15  ? 12.063  8.017   3.575  1.00 8.30  ? 15  PRO A C   1 
ATOM   130  O O   . PRO A 1 15  ? 10.907  7.719   3.877  1.00 12.79 ? 15  PRO A O   1 
ATOM   131  C CB  . PRO A 1 15  ? 12.484  8.009   1.088  1.00 9.94  ? 15  PRO A CB  1 
ATOM   132  C CG  . PRO A 1 15  ? 12.611  6.888   0.097  1.00 15.30 ? 15  PRO A CG  1 
ATOM   133  C CD  . PRO A 1 15  ? 12.064  5.686   0.801  1.00 16.03 ? 15  PRO A CD  1 
ATOM   134  N N   . VAL A 1 16  ? 12.753  8.982   4.181  1.00 16.27 ? 16  VAL A N   1 
ATOM   135  C CA  . VAL A 1 16  ? 12.190  9.772   5.269  1.00 9.28  ? 16  VAL A CA  1 
ATOM   136  C C   . VAL A 1 16  ? 10.997  10.583  4.776  1.00 17.39 ? 16  VAL A C   1 
ATOM   137  O O   . VAL A 1 16  ? 11.021  11.168  3.684  1.00 17.26 ? 16  VAL A O   1 
ATOM   138  C CB  . VAL A 1 16  ? 13.283  10.694  5.832  1.00 6.38  ? 16  VAL A CB  1 
ATOM   139  C CG1 . VAL A 1 16  ? 12.684  11.816  6.674  1.00 8.79  ? 16  VAL A CG1 1 
ATOM   140  C CG2 . VAL A 1 16  ? 14.323  9.903   6.581  1.00 14.88 ? 16  VAL A CG2 1 
ATOM   141  N N   . LYS A 1 17  ? 9.943   10.633  5.582  1.00 13.84 ? 17  LYS A N   1 
ATOM   142  C CA  . LYS A 1 17  ? 8.737   11.348  5.197  1.00 16.58 ? 17  LYS A CA  1 
ATOM   143  C C   . LYS A 1 17  ? 8.597   12.630  6.017  1.00 10.16 ? 17  LYS A C   1 
ATOM   144  O O   . LYS A 1 17  ? 9.274   12.829  7.031  1.00 13.92 ? 17  LYS A O   1 
ATOM   145  C CB  . LYS A 1 17  ? 7.505   10.453  5.391  1.00 24.14 ? 17  LYS A CB  1 
ATOM   146  C CG  . LYS A 1 17  ? 7.594   9.060   4.740  1.00 12.41 ? 17  LYS A CG  1 
ATOM   147  C CD  . LYS A 1 17  ? 7.938   9.130   3.257  1.00 28.44 ? 17  LYS A CD  1 
ATOM   148  C CE  . LYS A 1 17  ? 7.722   7.786   2.561  1.00 15.31 ? 17  LYS A CE  1 
ATOM   149  N NZ  . LYS A 1 17  ? 8.431   6.650   3.215  1.00 21.98 ? 17  LYS A NZ  1 
ATOM   150  N N   . ASN A 1 18  ? 7.677   13.490  5.585  1.00 10.33 ? 18  ASN A N   1 
ATOM   151  C CA  . ASN A 1 18  ? 7.341   14.725  6.293  1.00 23.66 ? 18  ASN A CA  1 
ATOM   152  C C   . ASN A 1 18  ? 5.840   14.751  6.559  1.00 16.12 ? 18  ASN A C   1 
ATOM   153  O O   . ASN A 1 18  ? 5.047   14.830  5.616  1.00 23.24 ? 18  ASN A O   1 
ATOM   154  C CB  . ASN A 1 18  ? 7.762   15.919  5.446  1.00 10.44 ? 18  ASN A CB  1 
ATOM   155  C CG  . ASN A 1 18  ? 7.598   17.227  6.148  1.00 10.85 ? 18  ASN A CG  1 
ATOM   156  O OD1 . ASN A 1 18  ? 8.540   17.747  6.737  1.00 25.98 ? 18  ASN A OD1 1 
ATOM   157  N ND2 . ASN A 1 18  ? 6.406   17.796  6.062  1.00 20.76 ? 18  ASN A ND2 1 
ATOM   158  N N   . GLN A 1 19  ? 5.443   14.701  7.838  1.00 9.26  ? 19  GLN A N   1 
ATOM   159  C CA  . GLN A 1 19  ? 4.021   14.730  8.183  1.00 17.38 ? 19  GLN A CA  1 
ATOM   160  C C   . GLN A 1 19  ? 3.366   16.106  8.048  1.00 21.43 ? 19  GLN A C   1 
ATOM   161  O O   . GLN A 1 19  ? 2.133   16.182  8.012  1.00 16.23 ? 19  GLN A O   1 
ATOM   162  C CB  . GLN A 1 19  ? 3.808   14.217  9.608  1.00 10.45 ? 19  GLN A CB  1 
ATOM   163  C CG  . GLN A 1 19  ? 4.376   15.130  10.679 1.00 11.60 ? 19  GLN A CG  1 
ATOM   164  C CD  . GLN A 1 19  ? 4.279   14.537  12.056 1.00 16.81 ? 19  GLN A CD  1 
ATOM   165  O OE1 . GLN A 1 19  ? 5.118   13.738  12.465 1.00 26.98 ? 19  GLN A OE1 1 
ATOM   166  N NE2 . GLN A 1 19  ? 3.262   14.951  12.801 1.00 7.39  ? 19  GLN A NE2 1 
ATOM   167  N N   . GLY A 1 20  ? 4.137   17.185  7.978  1.00 11.18 ? 20  GLY A N   1 
ATOM   168  C CA  . GLY A 1 20  ? 3.504   18.496  7.904  1.00 5.93  ? 20  GLY A CA  1 
ATOM   169  C C   . GLY A 1 20  ? 2.901   18.923  9.236  1.00 12.56 ? 20  GLY A C   1 
ATOM   170  O O   . GLY A 1 20  ? 3.278   18.449  10.311 1.00 23.89 ? 20  GLY A O   1 
ATOM   171  N N   . SER A 1 21  ? 1.915   19.826  9.149  1.00 18.10 ? 21  SER A N   1 
ATOM   172  C CA  . SER A 1 21  ? 1.296   20.389  10.347 1.00 16.96 ? 21  SER A CA  1 
ATOM   173  C C   . SER A 1 21  ? 0.348   19.417  11.035 1.00 29.92 ? 21  SER A C   1 
ATOM   174  O O   . SER A 1 21  ? 0.003   19.624  12.203 1.00 32.55 ? 21  SER A O   1 
ATOM   175  C CB  . SER A 1 21  ? 0.549   21.675  9.993  1.00 8.54  ? 21  SER A CB  1 
ATOM   176  O OG  . SER A 1 21  ? 1.407   22.801  10.090 1.00 37.17 ? 21  SER A OG  1 
ATOM   177  N N   . CYS A 1 22  ? -0.097  18.389  10.326 1.00 15.94 ? 22  CYS A N   1 
ATOM   178  C CA  . CYS A 1 22  ? -1.041  17.423  10.860 1.00 11.64 ? 22  CYS A CA  1 
ATOM   179  C C   . CYS A 1 22  ? -0.392  16.595  11.969 1.00 22.79 ? 22  CYS A C   1 
ATOM   180  O O   . CYS A 1 22  ? 0.759   16.163  11.856 1.00 5.82  ? 22  CYS A O   1 
ATOM   181  C CB  . CYS A 1 22  ? -1.527  16.512  9.727  1.00 17.62 ? 22  CYS A CB  1 
ATOM   182  S SG  . CYS A 1 22  ? -2.576  15.121  10.199 1.00 25.55 ? 22  CYS A SG  1 
ATOM   183  N N   . GLY A 1 23  ? -1.132  16.384  13.055 1.00 16.22 ? 23  GLY A N   1 
ATOM   184  C CA  . GLY A 1 23  ? -0.635  15.542  14.126 1.00 20.05 ? 23  GLY A CA  1 
ATOM   185  C C   . GLY A 1 23  ? -0.786  14.071  13.789 1.00 27.76 ? 23  GLY A C   1 
ATOM   186  O O   . GLY A 1 23  ? -1.480  13.327  14.494 1.00 15.06 ? 23  GLY A O   1 
ATOM   187  N N   . SER A 1 24  ? -0.131  13.643  12.706 1.00 11.42 ? 24  SER A N   1 
ATOM   188  C CA  . SER A 1 24  ? -0.261  12.288  12.179 1.00 10.53 ? 24  SER A CA  1 
ATOM   189  C C   . SER A 1 24  ? 0.978   11.444  12.438 1.00 10.86 ? 24  SER A C   1 
ATOM   190  O O   . SER A 1 24  ? 1.228   10.479  11.712 1.00 15.22 ? 24  SER A O   1 
ATOM   191  C CB  . SER A 1 24  ? -0.548  12.331  10.678 1.00 12.28 ? 24  SER A CB  1 
ATOM   192  O OG  . SER A 1 24  ? 0.390   13.136  9.987  1.00 15.37 ? 24  SER A OG  1 
ATOM   193  N N   . CYS A 1 25  ? 1.765   11.790  13.457 1.00 15.75 ? 25  CYS A N   1 
ATOM   194  C CA  . CYS A 1 25  ? 3.013   11.077  13.683 1.00 10.74 ? 25  CYS A CA  1 
ATOM   195  C C   . CYS A 1 25  ? 2.763   9.626   14.073 1.00 9.56  ? 25  CYS A C   1 
ATOM   196  O O   . CYS A 1 25  ? 3.551   8.743   13.716 1.00 18.27 ? 25  CYS A O   1 
ATOM   197  C CB  . CYS A 1 25  ? 3.841   11.788  14.756 1.00 18.90 ? 25  CYS A CB  1 
ATOM   198  S SG  . CYS A 1 25  ? 2.996   12.058  16.346 1.00 19.12 ? 25  CYS A SG  1 
ATOM   199  N N   . TRP A 1 26  ? 1.689   9.364   14.811 1.00 10.05 ? 26  TRP A N   1 
ATOM   200  C CA  . TRP A 1 26  ? 1.387   8.001   15.232 1.00 12.77 ? 26  TRP A CA  1 
ATOM   201  C C   . TRP A 1 26  ? 1.252   7.076   14.028 1.00 8.83  ? 26  TRP A C   1 
ATOM   202  O O   . TRP A 1 26  ? 1.781   5.953   14.022 1.00 13.56 ? 26  TRP A O   1 
ATOM   203  C CB  . TRP A 1 26  ? 0.099   8.029   16.051 1.00 7.34  ? 26  TRP A CB  1 
ATOM   204  C CG  . TRP A 1 26  ? -1.033  8.663   15.315 1.00 7.71  ? 26  TRP A CG  1 
ATOM   205  C CD1 . TRP A 1 26  ? -1.323  10.004  15.235 1.00 11.04 ? 26  TRP A CD1 1 
ATOM   206  C CD2 . TRP A 1 26  ? -2.070  7.986   14.579 1.00 10.32 ? 26  TRP A CD2 1 
ATOM   207  N NE1 . TRP A 1 26  ? -2.451  10.198  14.457 1.00 7.89  ? 26  TRP A NE1 1 
ATOM   208  C CE2 . TRP A 1 26  ? -2.933  8.974   14.060 1.00 3.77  ? 26  TRP A CE2 1 
ATOM   209  C CE3 . TRP A 1 26  ? -2.343  6.642   14.300 1.00 27.16 ? 26  TRP A CE3 1 
ATOM   210  C CZ2 . TRP A 1 26  ? -4.052  8.654   13.292 1.00 5.72  ? 26  TRP A CZ2 1 
ATOM   211  C CZ3 . TRP A 1 26  ? -3.459  6.330   13.530 1.00 5.12  ? 26  TRP A CZ3 1 
ATOM   212  C CH2 . TRP A 1 26  ? -4.285  7.330   13.024 1.00 2.55  ? 26  TRP A CH2 1 
ATOM   213  N N   . ALA A 1 27  ? 0.685   7.602   12.941 1.00 10.86 ? 27  ALA A N   1 
ATOM   214  C CA  . ALA A 1 27  ? 0.539   6.837   11.717 1.00 14.63 ? 27  ALA A CA  1 
ATOM   215  C C   . ALA A 1 27  ? 1.846   6.695   10.957 1.00 10.78 ? 27  ALA A C   1 
ATOM   216  O O   . ALA A 1 27  ? 2.126   5.625   10.408 1.00 17.97 ? 27  ALA A O   1 
ATOM   217  C CB  . ALA A 1 27  ? -0.516  7.495   10.824 1.00 24.25 ? 27  ALA A CB  1 
ATOM   218  N N   . PHE A 1 28  ? 2.666   7.741   10.921 1.00 16.90 ? 28  PHE A N   1 
ATOM   219  C CA  . PHE A 1 28  ? 3.957   7.621   10.252 1.00 13.79 ? 28  PHE A CA  1 
ATOM   220  C C   . PHE A 1 28  ? 4.843   6.591   10.950 1.00 17.92 ? 28  PHE A C   1 
ATOM   221  O O   . PHE A 1 28  ? 5.506   5.774   10.296 1.00 15.54 ? 28  PHE A O   1 
ATOM   222  C CB  . PHE A 1 28  ? 4.602   8.999   10.164 1.00 14.86 ? 28  PHE A CB  1 
ATOM   223  C CG  . PHE A 1 28  ? 4.057   9.812   9.033  1.00 20.29 ? 28  PHE A CG  1 
ATOM   224  C CD1 . PHE A 1 28  ? 2.857   10.476  9.169  1.00 16.62 ? 28  PHE A CD1 1 
ATOM   225  C CD2 . PHE A 1 28  ? 4.724   9.885   7.817  1.00 22.51 ? 28  PHE A CD2 1 
ATOM   226  C CE1 . PHE A 1 28  ? 2.325   11.211  8.116  1.00 16.67 ? 28  PHE A CE1 1 
ATOM   227  C CE2 . PHE A 1 28  ? 4.203   10.628  6.760  1.00 20.85 ? 28  PHE A CE2 1 
ATOM   228  C CZ  . PHE A 1 28  ? 3.001   11.285  6.913  1.00 26.14 ? 28  PHE A CZ  1 
ATOM   229  N N   . SER A 1 29  ? 4.910   6.658   12.280 1.00 13.43 ? 29  SER A N   1 
ATOM   230  C CA  . SER A 1 29  ? 5.661   5.679   13.061 1.00 9.15  ? 29  SER A CA  1 
ATOM   231  C C   . SER A 1 29  ? 5.177   4.251   12.778 1.00 13.91 ? 29  SER A C   1 
ATOM   232  O O   . SER A 1 29  ? 5.978   3.344   12.468 1.00 20.67 ? 29  SER A O   1 
ATOM   233  C CB  . SER A 1 29  ? 5.518   6.023   14.541 1.00 6.88  ? 29  SER A CB  1 
ATOM   234  O OG  . SER A 1 29  ? 6.082   5.018   15.362 1.00 30.27 ? 29  SER A OG  1 
ATOM   235  N N   . ALA A 1 30  ? 3.853   4.035   12.861 1.00 7.34  ? 30  ALA A N   1 
ATOM   236  C CA  . ALA A 1 30  ? 3.317   2.705   12.590 1.00 12.63 ? 30  ALA A CA  1 
ATOM   237  C C   . ALA A 1 30  ? 3.695   2.228   11.194 1.00 9.55  ? 30  ALA A C   1 
ATOM   238  O O   . ALA A 1 30  ? 4.125   1.080   11.008 1.00 16.63 ? 30  ALA A O   1 
ATOM   239  C CB  . ALA A 1 30  ? 1.798   2.718   12.754 1.00 26.89 ? 30  ALA A CB  1 
ATOM   240  N N   . VAL A 1 31  ? 3.544   3.099   10.199 1.00 11.15 ? 31  VAL A N   1 
ATOM   241  C CA  . VAL A 1 31  ? 3.837   2.701   8.832  1.00 9.83  ? 31  VAL A CA  1 
ATOM   242  C C   . VAL A 1 31  ? 5.304   2.322   8.699  1.00 14.15 ? 31  VAL A C   1 
ATOM   243  O O   . VAL A 1 31  ? 5.650   1.400   7.950  1.00 16.53 ? 31  VAL A O   1 
ATOM   244  C CB  . VAL A 1 31  ? 3.421   3.806   7.843  1.00 11.94 ? 31  VAL A CB  1 
ATOM   245  C CG1 . VAL A 1 31  ? 4.059   3.586   6.489  1.00 14.29 ? 31  VAL A CG1 1 
ATOM   246  C CG2 . VAL A 1 31  ? 1.931   3.816   7.694  1.00 7.05  ? 31  VAL A CG2 1 
ATOM   247  N N   . VAL A 1 32  ? 6.199   3.052   9.373  1.00 11.81 ? 32  VAL A N   1 
ATOM   248  C CA  . VAL A 1 32  ? 7.614   2.674   9.312  1.00 13.48 ? 32  VAL A CA  1 
ATOM   249  C C   . VAL A 1 32  ? 7.795   1.238   9.768  1.00 12.63 ? 32  VAL A C   1 
ATOM   250  O O   . VAL A 1 32  ? 8.488   0.442   9.115  1.00 16.51 ? 32  VAL A O   1 
ATOM   251  C CB  . VAL A 1 32  ? 8.496   3.614   10.155 1.00 13.76 ? 32  VAL A CB  1 
ATOM   252  C CG1 . VAL A 1 32  ? 9.941   3.115   10.129 1.00 2.36  ? 32  VAL A CG1 1 
ATOM   253  C CG2 . VAL A 1 32  ? 8.421   5.031   9.639  1.00 23.28 ? 32  VAL A CG2 1 
ATOM   254  N N   . THR A 1 33  ? 7.115   0.860   10.854 1.00 23.94 ? 33  THR A N   1 
ATOM   255  C CA  . THR A 1 33  ? 7.307   -0.505  11.351 1.00 15.21 ? 33  THR A CA  1 
ATOM   256  C C   . THR A 1 33  ? 6.707   -1.537  10.404 1.00 12.02 ? 33  THR A C   1 
ATOM   257  O O   . THR A 1 33  ? 7.225   -2.658  10.293 1.00 6.97  ? 33  THR A O   1 
ATOM   258  C CB  . THR A 1 33  ? 6.683   -0.672  12.730 1.00 15.08 ? 33  THR A CB  1 
ATOM   259  O OG1 . THR A 1 33  ? 5.259   -0.655  12.587 1.00 17.97 ? 33  THR A OG1 1 
ATOM   260  C CG2 . THR A 1 33  ? 7.120   0.465   13.654 1.00 13.15 ? 33  THR A CG2 1 
ATOM   261  N N   . ILE A 1 34  ? 5.636   -1.179  9.694  1.00 13.34 ? 34  ILE A N   1 
ATOM   262  C CA  . ILE A 1 34  ? 5.065   -2.122  8.728  1.00 11.69 ? 34  ILE A CA  1 
ATOM   263  C C   . ILE A 1 34  ? 5.985   -2.288  7.527  1.00 11.32 ? 34  ILE A C   1 
ATOM   264  O O   . ILE A 1 34  ? 6.236   -3.413  7.076  1.00 16.94 ? 34  ILE A O   1 
ATOM   265  C CB  . ILE A 1 34  ? 3.633   -1.728  8.318  1.00 12.56 ? 34  ILE A CB  1 
ATOM   266  C CG1 . ILE A 1 34  ? 2.714   -1.754  9.539  1.00 10.41 ? 34  ILE A CG1 1 
ATOM   267  C CG2 . ILE A 1 34  ? 3.099   -2.637  7.213  1.00 14.69 ? 34  ILE A CG2 1 
ATOM   268  C CD1 . ILE A 1 34  ? 1.820   -0.569  9.639  1.00 38.60 ? 34  ILE A CD1 1 
ATOM   269  N N   . GLU A 1 35  ? 6.479   -1.176  6.972  1.00 11.82 ? 35  GLU A N   1 
ATOM   270  C CA  . GLU A 1 35  ? 7.432   -1.251  5.865  1.00 15.48 ? 35  GLU A CA  1 
ATOM   271  C C   . GLU A 1 35  ? 8.620   -2.139  6.231  1.00 10.81 ? 35  GLU A C   1 
ATOM   272  O O   . GLU A 1 35  ? 9.028   -3.023  5.457  1.00 17.61 ? 35  GLU A O   1 
ATOM   273  C CB  . GLU A 1 35  ? 7.940   0.164   5.561  1.00 19.46 ? 35  GLU A CB  1 
ATOM   274  C CG  . GLU A 1 35  ? 6.917   1.149   5.038  1.00 19.62 ? 35  GLU A CG  1 
ATOM   275  C CD  . GLU A 1 35  ? 7.440   2.586   5.072  1.00 21.66 ? 35  GLU A CD  1 
ATOM   276  O OE1 . GLU A 1 35  ? 8.495   2.824   5.705  1.00 27.67 ? 35  GLU A OE1 1 
ATOM   277  O OE2 . GLU A 1 35  ? 6.773   3.478   4.515  1.00 21.82 ? 35  GLU A OE2 1 
ATOM   278  N N   . GLY A 1 36  ? 9.106   -2.001  7.465  1.00 15.02 ? 36  GLY A N   1 
ATOM   279  C CA  . GLY A 1 36  ? 10.254  -2.784  7.885  1.00 5.50  ? 36  GLY A CA  1 
ATOM   280  C C   . GLY A 1 36  ? 9.939   -4.262  8.010  1.00 9.32  ? 36  GLY A C   1 
ATOM   281  O O   . GLY A 1 36  ? 10.691  -5.110  7.516  1.00 7.78  ? 36  GLY A O   1 
ATOM   282  N N   . ILE A 1 37  ? 8.851   -4.601  8.709  1.00 10.95 ? 37  ILE A N   1 
ATOM   283  C CA  . ILE A 1 37  ? 8.600   -6.023  8.912  1.00 16.47 ? 37  ILE A CA  1 
ATOM   284  C C   . ILE A 1 37  ? 8.212   -6.691  7.602  1.00 26.94 ? 37  ILE A C   1 
ATOM   285  O O   . ILE A 1 37  ? 8.523   -7.870  7.396  1.00 20.19 ? 37  ILE A O   1 
ATOM   286  C CB  . ILE A 1 37  ? 7.565   -6.302  10.020 1.00 20.25 ? 37  ILE A CB  1 
ATOM   287  C CG1 . ILE A 1 37  ? 7.711   -7.765  10.466 1.00 24.50 ? 37  ILE A CG1 1 
ATOM   288  C CG2 . ILE A 1 37  ? 6.144   -6.045  9.547  1.00 8.52  ? 37  ILE A CG2 1 
ATOM   289  C CD1 . ILE A 1 37  ? 6.986   -8.090  11.725 1.00 32.81 ? 37  ILE A CD1 1 
ATOM   290  N N   . ILE A 1 38  ? 7.566   -5.968  6.679  1.00 9.32  ? 38  ILE A N   1 
ATOM   291  C CA  . ILE A 1 38  ? 7.250   -6.594  5.401  1.00 11.42 ? 38  ILE A CA  1 
ATOM   292  C C   . ILE A 1 38  ? 8.534   -6.863  4.621  1.00 14.69 ? 38  ILE A C   1 
ATOM   293  O O   . ILE A 1 38  ? 8.684   -7.923  4.003  1.00 18.45 ? 38  ILE A O   1 
ATOM   294  C CB  . ILE A 1 38  ? 6.242   -5.752  4.598  1.00 19.12 ? 38  ILE A CB  1 
ATOM   295  C CG1 . ILE A 1 38  ? 4.882   -5.725  5.308  1.00 22.71 ? 38  ILE A CG1 1 
ATOM   296  C CG2 . ILE A 1 38  ? 6.080   -6.319  3.184  1.00 10.90 ? 38  ILE A CG2 1 
ATOM   297  C CD1 . ILE A 1 38  ? 4.305   -7.114  5.609  1.00 13.15 ? 38  ILE A CD1 1 
ATOM   298  N N   . LYS A 1 39  ? 9.503   -5.941  4.679  1.00 19.23 ? 39  LYS A N   1 
ATOM   299  C CA  . LYS A 1 39  ? 10.790  -6.207  4.035  1.00 13.06 ? 39  LYS A CA  1 
ATOM   300  C C   . LYS A 1 39  ? 11.490  -7.399  4.677  1.00 19.74 ? 39  LYS A C   1 
ATOM   301  O O   . LYS A 1 39  ? 12.076  -8.237  3.979  1.00 21.05 ? 39  LYS A O   1 
ATOM   302  C CB  . LYS A 1 39  ? 11.681  -4.970  4.087  1.00 23.82 ? 39  LYS A CB  1 
ATOM   303  C CG  . LYS A 1 39  ? 13.140  -5.253  3.741  1.00 14.96 ? 39  LYS A CG  1 
ATOM   304  C CD  . LYS A 1 39  ? 13.435  -5.652  2.327  1.00 17.80 ? 39  LYS A CD  1 
ATOM   305  C CE  . LYS A 1 39  ? 14.950  -5.879  2.182  1.00 24.07 ? 39  LYS A CE  1 
ATOM   306  N NZ  . LYS A 1 39  ? 15.399  -6.139  0.787  1.00 54.13 ? 39  LYS A NZ  1 
ATOM   307  N N   . ILE A 1 40  ? 11.486  -7.459  6.006  1.00 11.30 ? 40  ILE A N   1 
ATOM   308  C CA  . ILE A 1 40  ? 12.133  -8.555  6.720  1.00 14.41 ? 40  ILE A CA  1 
ATOM   309  C C   . ILE A 1 40  ? 11.520  -9.906  6.351  1.00 16.25 ? 40  ILE A C   1 
ATOM   310  O O   . ILE A 1 40  ? 12.242  -10.887 6.130  1.00 21.89 ? 40  ILE A O   1 
ATOM   311  C CB  . ILE A 1 40  ? 12.060  -8.298  8.236  1.00 21.64 ? 40  ILE A CB  1 
ATOM   312  C CG1 . ILE A 1 40  ? 13.027  -7.184  8.627  1.00 27.38 ? 40  ILE A CG1 1 
ATOM   313  C CG2 . ILE A 1 40  ? 12.387  -9.563  9.019  1.00 29.23 ? 40  ILE A CG2 1 
ATOM   314  C CD1 . ILE A 1 40  ? 12.707  -6.550  9.961  1.00 30.13 ? 40  ILE A CD1 1 
ATOM   315  N N   . ARG A 1 41  ? 10.189  -9.981  6.259  1.00 14.94 ? 41  ARG A N   1 
ATOM   316  C CA  . ARG A 1 41  ? 9.539   -11.270 6.016  1.00 24.25 ? 41  ARG A CA  1 
ATOM   317  C C   . ARG A 1 41  ? 9.484   -11.649 4.538  1.00 23.47 ? 41  ARG A C   1 
ATOM   318  O O   . ARG A 1 41  ? 9.494   -12.841 4.214  1.00 27.32 ? 41  ARG A O   1 
ATOM   319  C CB  . ARG A 1 41  ? 8.131   -11.285 6.618  1.00 29.46 ? 41  ARG A CB  1 
ATOM   320  C CG  . ARG A 1 41  ? 8.108   -11.247 8.150  1.00 33.78 ? 41  ARG A CG  1 
ATOM   321  C CD  . ARG A 1 41  ? 8.570   -12.553 8.797  1.00 18.92 ? 41  ARG A CD  1 
ATOM   322  N NE  . ARG A 1 41  ? 9.737   -12.360 9.651  1.00 25.58 ? 41  ARG A NE  1 
ATOM   323  C CZ  . ARG A 1 41  ? 9.683   -11.986 10.923 1.00 22.36 ? 41  ARG A CZ  1 
ATOM   324  N NH1 . ARG A 1 41  ? 8.532   -11.691 11.511 1.00 21.81 ? 41  ARG A NH1 1 
ATOM   325  N NH2 . ARG A 1 41  ? 10.812  -11.875 11.616 1.00 35.80 ? 41  ARG A NH2 1 
ATOM   326  N N   . THR A 1 42  ? 9.414   -10.682 3.626  1.00 27.89 ? 42  THR A N   1 
ATOM   327  C CA  . THR A 1 42  ? 9.188   -11.004 2.225  1.00 30.49 ? 42  THR A CA  1 
ATOM   328  C C   . THR A 1 42  ? 10.341  -10.626 1.313  1.00 12.08 ? 42  THR A C   1 
ATOM   329  O O   . THR A 1 42  ? 10.353  -11.071 0.161  1.00 15.01 ? 42  THR A O   1 
ATOM   330  C CB  . THR A 1 42  ? 7.906   -10.325 1.691  1.00 23.46 ? 42  THR A CB  1 
ATOM   331  O OG1 . THR A 1 42  ? 8.146   -8.932  1.454  1.00 10.01 ? 42  THR A OG1 1 
ATOM   332  C CG2 . THR A 1 42  ? 6.737   -10.498 2.652  1.00 28.64 ? 42  THR A CG2 1 
ATOM   333  N N   . GLY A 1 43  ? 11.285  -9.805  1.760  1.00 11.88 ? 43  GLY A N   1 
ATOM   334  C CA  . GLY A 1 43  ? 12.369  -9.423  0.887  1.00 16.25 ? 43  GLY A CA  1 
ATOM   335  C C   . GLY A 1 43  ? 12.113  -8.193  0.042  1.00 20.86 ? 43  GLY A C   1 
ATOM   336  O O   . GLY A 1 43  ? 13.039  -7.728  -0.638 1.00 13.67 ? 43  GLY A O   1 
ATOM   337  N N   . ASN A 1 44  ? 10.902  -7.633  0.084  1.00 27.47 ? 44  ASN A N   1 
ATOM   338  C CA  . ASN A 1 44  ? 10.520  -6.489  -0.737 1.00 25.96 ? 44  ASN A CA  1 
ATOM   339  C C   . ASN A 1 44  ? 10.342  -5.274  0.161  1.00 20.63 ? 44  ASN A C   1 
ATOM   340  O O   . ASN A 1 44  ? 9.693   -5.360  1.208  1.00 22.15 ? 44  ASN A O   1 
ATOM   341  C CB  . ASN A 1 44  ? 9.187   -6.732  -1.458 1.00 29.93 ? 44  ASN A CB  1 
ATOM   342  C CG  . ASN A 1 44  ? 9.158   -8.029  -2.245 1.00 36.07 ? 44  ASN A CG  1 
ATOM   343  O OD1 . ASN A 1 44  ? 8.480   -8.979  -1.842 1.00 31.94 ? 44  ASN A OD1 1 
ATOM   344  N ND2 . ASN A 1 44  ? 9.891   -8.088  -3.353 1.00 47.08 ? 44  ASN A ND2 1 
ATOM   345  N N   . LEU A 1 45  ? 10.926  -4.150  -0.234 1.00 28.47 ? 45  LEU A N   1 
ATOM   346  C CA  . LEU A 1 45  ? 10.703  -2.886  0.452  1.00 17.12 ? 45  LEU A CA  1 
ATOM   347  C C   . LEU A 1 45  ? 9.622   -2.098  -0.272 1.00 14.37 ? 45  LEU A C   1 
ATOM   348  O O   . LEU A 1 45  ? 9.821   -1.650  -1.406 1.00 13.31 ? 45  LEU A O   1 
ATOM   349  C CB  . LEU A 1 45  ? 11.989  -2.071  0.560  1.00 14.88 ? 45  LEU A CB  1 
ATOM   350  C CG  . LEU A 1 45  ? 11.742  -0.801  1.373  1.00 20.96 ? 45  LEU A CG  1 
ATOM   351  C CD1 . LEU A 1 45  ? 11.333  -1.116  2.801  1.00 13.34 ? 45  LEU A CD1 1 
ATOM   352  C CD2 . LEU A 1 45  ? 12.977  0.093   1.333  1.00 19.08 ? 45  LEU A CD2 1 
ATOM   353  N N   . ASN A 1 46  ? 8.510   -1.869  0.417  1.00 14.23 ? 46  ASN A N   1 
ATOM   354  C CA  . ASN A 1 46  ? 7.412   -1.091  -0.125 1.00 18.02 ? 46  ASN A CA  1 
ATOM   355  C C   . ASN A 1 46  ? 7.069   0.040   0.816  1.00 18.10 ? 46  ASN A C   1 
ATOM   356  O O   . ASN A 1 46  ? 7.364   0.006   2.013  1.00 6.71  ? 46  ASN A O   1 
ATOM   357  C CB  . ASN A 1 46  ? 6.143   -1.916  -0.375 1.00 22.24 ? 46  ASN A CB  1 
ATOM   358  C CG  . ASN A 1 46  ? 6.411   -3.172  -1.155 1.00 23.43 ? 46  ASN A CG  1 
ATOM   359  O OD1 . ASN A 1 46  ? 6.441   -4.275  -0.607 1.00 17.29 ? 46  ASN A OD1 1 
ATOM   360  N ND2 . ASN A 1 46  ? 6.597   -3.011  -2.459 1.00 15.43 ? 46  ASN A ND2 1 
ATOM   361  N N   . GLU A 1 47  ? 6.411   1.035   0.249  1.00 16.87 ? 47  GLU A N   1 
ATOM   362  C CA  . GLU A 1 47  ? 5.856   2.121   1.029  1.00 13.10 ? 47  GLU A CA  1 
ATOM   363  C C   . GLU A 1 47  ? 4.373   1.859   1.233  1.00 11.63 ? 47  GLU A C   1 
ATOM   364  O O   . GLU A 1 47  ? 3.673   1.452   0.303  1.00 12.15 ? 47  GLU A O   1 
ATOM   365  C CB  . GLU A 1 47  ? 6.065   3.449   0.295  1.00 12.83 ? 47  GLU A CB  1 
ATOM   366  C CG  . GLU A 1 47  ? 7.544   3.918   0.311  1.00 23.27 ? 47  GLU A CG  1 
ATOM   367  C CD  . GLU A 1 47  ? 7.775   5.203   -0.476 1.00 32.99 ? 47  GLU A CD  1 
ATOM   368  O OE1 . GLU A 1 47  ? 7.053   5.459   -1.472 1.00 45.88 ? 47  GLU A OE1 1 
ATOM   369  O OE2 . GLU A 1 47  ? 8.731   5.929   -0.115 1.00 41.83 ? 47  GLU A OE2 1 
ATOM   370  N N   . TYR A 1 48  ? 3.905   2.063   2.459  1.00 7.01  ? 48  TYR A N   1 
ATOM   371  C CA  . TYR A 1 48  ? 2.505   1.845   2.806  1.00 13.74 ? 48  TYR A CA  1 
ATOM   372  C C   . TYR A 1 48  ? 1.875   3.160   3.256  1.00 18.55 ? 48  TYR A C   1 
ATOM   373  O O   . TYR A 1 48  ? 2.550   4.178   3.424  1.00 24.46 ? 48  TYR A O   1 
ATOM   374  C CB  . TYR A 1 48  ? 2.356   0.745   3.859  1.00 12.01 ? 48  TYR A CB  1 
ATOM   375  C CG  . TYR A 1 48  ? 2.809   -0.579  3.301  1.00 20.59 ? 48  TYR A CG  1 
ATOM   376  C CD1 . TYR A 1 48  ? 2.037   -1.273  2.365  1.00 25.18 ? 48  TYR A CD1 1 
ATOM   377  C CD2 . TYR A 1 48  ? 4.041   -1.104  3.650  1.00 15.98 ? 48  TYR A CD2 1 
ATOM   378  C CE1 . TYR A 1 48  ? 2.475   -2.481  1.831  1.00 13.68 ? 48  TYR A CE1 1 
ATOM   379  C CE2 . TYR A 1 48  ? 4.485   -2.308  3.127  1.00 28.26 ? 48  TYR A CE2 1 
ATOM   380  C CZ  . TYR A 1 48  ? 3.701   -2.992  2.214  1.00 16.90 ? 48  TYR A CZ  1 
ATOM   381  O OH  . TYR A 1 48  ? 4.150   -4.186  1.683  1.00 8.96  ? 48  TYR A OH  1 
ATOM   382  N N   . SER A 1 49  ? 0.560   3.141   3.433  1.00 15.53 ? 49  SER A N   1 
ATOM   383  C CA  . SER A 1 49  ? -0.229  4.365   3.519  1.00 15.38 ? 49  SER A CA  1 
ATOM   384  C C   . SER A 1 49  ? -0.373  4.848   4.963  1.00 14.57 ? 49  SER A C   1 
ATOM   385  O O   . SER A 1 49  ? -1.069  4.225   5.769  1.00 19.46 ? 49  SER A O   1 
ATOM   386  C CB  . SER A 1 49  ? -1.602  4.158   2.891  1.00 11.61 ? 49  SER A CB  1 
ATOM   387  O OG  . SER A 1 49  ? -2.360  5.349   3.022  1.00 19.39 ? 49  SER A OG  1 
ATOM   388  N N   . GLU A 1 50  ? 0.306   5.952   5.293  1.00 12.97 ? 50  GLU A N   1 
ATOM   389  C CA  . GLU A 1 50  ? -0.010  6.674   6.523  1.00 11.68 ? 50  GLU A CA  1 
ATOM   390  C C   . GLU A 1 50  ? -1.419  7.245   6.475  1.00 6.58  ? 50  GLU A C   1 
ATOM   391  O O   . GLU A 1 50  ? -2.147  7.228   7.479  1.00 9.95  ? 50  GLU A O   1 
ATOM   392  C CB  . GLU A 1 50  ? 1.012   7.791   6.749  1.00 19.32 ? 50  GLU A CB  1 
ATOM   393  C CG  . GLU A 1 50  ? 2.446   7.296   6.913  1.00 13.94 ? 50  GLU A CG  1 
ATOM   394  C CD  . GLU A 1 50  ? 3.217   7.240   5.608  1.00 25.94 ? 50  GLU A CD  1 
ATOM   395  O OE1 . GLU A 1 50  ? 2.628   7.531   4.540  1.00 26.65 ? 50  GLU A OE1 1 
ATOM   396  O OE2 . GLU A 1 50  ? 4.405   6.858   5.650  1.00 16.03 ? 50  GLU A OE2 1 
ATOM   397  N N   . GLN A 1 51  ? -1.829  7.726   5.296  1.00 17.84 ? 51  GLN A N   1 
ATOM   398  C CA  . GLN A 1 51  ? -3.135  8.357   5.141  1.00 9.28  ? 51  GLN A CA  1 
ATOM   399  C C   . GLN A 1 51  ? -4.256  7.376   5.466  1.00 11.05 ? 51  GLN A C   1 
ATOM   400  O O   . GLN A 1 51  ? -5.286  7.756   6.040  1.00 11.69 ? 51  GLN A O   1 
ATOM   401  C CB  . GLN A 1 51  ? -3.304  8.866   3.713  1.00 9.84  ? 51  GLN A CB  1 
ATOM   402  C CG  . GLN A 1 51  ? -4.588  9.642   3.487  1.00 11.94 ? 51  GLN A CG  1 
ATOM   403  C CD  . GLN A 1 51  ? -4.520  11.018  4.142  1.00 13.33 ? 51  GLN A CD  1 
ATOM   404  O OE1 . GLN A 1 51  ? -3.459  11.643  4.147  1.00 9.76  ? 51  GLN A OE1 1 
ATOM   405  N NE2 . GLN A 1 51  ? -5.646  11.505  4.667  1.00 7.88  ? 51  GLN A NE2 1 
ATOM   406  N N   . GLU A 1 52  ? -4.084  6.114   5.070  1.00 11.61 ? 52  GLU A N   1 
ATOM   407  C CA  . GLU A 1 52  ? -5.093  5.105   5.355  1.00 11.31 ? 52  GLU A CA  1 
ATOM   408  C C   . GLU A 1 52  ? -5.310  4.968   6.849  1.00 15.90 ? 52  GLU A C   1 
ATOM   409  O O   . GLU A 1 52  ? -6.450  4.853   7.306  1.00 10.84 ? 52  GLU A O   1 
ATOM   410  C CB  . GLU A 1 52  ? -4.698  3.767   4.744  1.00 12.59 ? 52  GLU A CB  1 
ATOM   411  C CG  . GLU A 1 52  ? -5.751  2.685   4.903  1.00 17.90 ? 52  GLU A CG  1 
ATOM   412  C CD  . GLU A 1 52  ? -5.470  1.508   4.009  1.00 25.48 ? 52  GLU A CD  1 
ATOM   413  O OE1 . GLU A 1 52  ? -6.404  1.014   3.341  1.00 37.59 ? 52  GLU A OE1 1 
ATOM   414  O OE2 . GLU A 1 52  ? -4.292  1.125   3.918  1.00 21.84 ? 52  GLU A OE2 1 
ATOM   415  N N   . LEU A 1 53  ? -4.227  4.967   7.626  1.00 19.63 ? 53  LEU A N   1 
ATOM   416  C CA  . LEU A 1 53  ? -4.383  4.869   9.068  1.00 8.27  ? 53  LEU A CA  1 
ATOM   417  C C   . LEU A 1 53  ? -5.048  6.119   9.629  1.00 9.56  ? 53  LEU A C   1 
ATOM   418  O O   . LEU A 1 53  ? -5.889  6.023   10.528 1.00 10.95 ? 53  LEU A O   1 
ATOM   419  C CB  . LEU A 1 53  ? -3.026  4.644   9.725  1.00 9.25  ? 53  LEU A CB  1 
ATOM   420  C CG  . LEU A 1 53  ? -2.229  3.447   9.216  1.00 18.71 ? 53  LEU A CG  1 
ATOM   421  C CD1 . LEU A 1 53  ? -0.922  3.374   9.972  1.00 10.24 ? 53  LEU A CD1 1 
ATOM   422  C CD2 . LEU A 1 53  ? -3.026  2.137   9.349  1.00 8.13  ? 53  LEU A CD2 1 
ATOM   423  N N   . LEU A 1 54  ? -4.668  7.307   9.137  1.00 12.28 ? 54  LEU A N   1 
ATOM   424  C CA  . LEU A 1 54  ? -5.345  8.527   9.591  1.00 9.54  ? 54  LEU A CA  1 
ATOM   425  C C   . LEU A 1 54  ? -6.848  8.453   9.373  1.00 11.05 ? 54  LEU A C   1 
ATOM   426  O O   . LEU A 1 54  ? -7.638  8.779   10.265 1.00 17.11 ? 54  LEU A O   1 
ATOM   427  C CB  . LEU A 1 54  ? -4.827  9.768   8.877  1.00 8.63  ? 54  LEU A CB  1 
ATOM   428  C CG  . LEU A 1 54  ? -3.533  10.477  9.198  1.00 30.56 ? 54  LEU A CG  1 
ATOM   429  C CD1 . LEU A 1 54  ? -3.341  11.543  8.136  1.00 20.77 ? 54  LEU A CD1 1 
ATOM   430  C CD2 . LEU A 1 54  ? -3.728  11.127  10.547 1.00 21.31 ? 54  LEU A CD2 1 
ATOM   431  N N   . ASP A 1 55  ? -7.257  7.999   8.191  1.00 10.50 ? 55  ASP A N   1 
ATOM   432  C CA  . ASP A 1 55  ? -8.670  7.996   7.846  1.00 16.94 ? 55  ASP A CA  1 
ATOM   433  C C   . ASP A 1 55  ? -9.413  6.877   8.548  1.00 25.83 ? 55  ASP A C   1 
ATOM   434  O O   . ASP A 1 55  ? -10.563 7.060   8.960  1.00 33.10 ? 55  ASP A O   1 
ATOM   435  C CB  . ASP A 1 55  ? -8.815  7.849   6.330  1.00 14.38 ? 55  ASP A CB  1 
ATOM   436  C CG  . ASP A 1 55  ? -8.235  9.040   5.558  1.00 13.94 ? 55  ASP A CG  1 
ATOM   437  O OD1 . ASP A 1 55  ? -8.018  10.115  6.155  1.00 19.88 ? 55  ASP A OD1 1 
ATOM   438  O OD2 . ASP A 1 55  ? -7.971  8.891   4.349  1.00 16.62 ? 55  ASP A OD2 1 
ATOM   439  N N   . CYS A 1 56  ? -8.782  5.717   8.700  1.00 24.05 ? 56  CYS A N   1 
ATOM   440  C CA  . CYS A 1 56  ? -9.513  4.498   9.007  1.00 28.59 ? 56  CYS A CA  1 
ATOM   441  C C   . CYS A 1 56  ? -9.349  4.018   10.435 1.00 17.21 ? 56  CYS A C   1 
ATOM   442  O O   . CYS A 1 56  ? -10.129 3.165   10.860 1.00 26.55 ? 56  CYS A O   1 
ATOM   443  C CB  . CYS A 1 56  ? -9.108  3.373   8.051  1.00 12.80 ? 56  CYS A CB  1 
ATOM   444  S SG  . CYS A 1 56  ? -9.375  3.850   6.378  1.00 25.17 ? 56  CYS A SG  1 
ATOM   445  N N   . ASP A 1 57  ? -8.353  4.512   11.177 1.00 27.84 ? 57  ASP A N   1 
ATOM   446  C CA  . ASP A 1 57  ? -8.197  4.078   12.561 1.00 23.06 ? 57  ASP A CA  1 
ATOM   447  C C   . ASP A 1 57  ? -9.221  4.833   13.398 1.00 23.30 ? 57  ASP A C   1 
ATOM   448  O O   . ASP A 1 57  ? -8.974  5.955   13.851 1.00 20.50 ? 57  ASP A O   1 
ATOM   449  C CB  . ASP A 1 57  ? -6.777  4.330   13.054 1.00 25.30 ? 57  ASP A CB  1 
ATOM   450  C CG  . ASP A 1 57  ? -6.567  3.876   14.499 1.00 20.89 ? 57  ASP A CG  1 
ATOM   451  O OD1 . ASP A 1 57  ? -7.503  3.287   15.086 1.00 21.72 ? 57  ASP A OD1 1 
ATOM   452  O OD2 . ASP A 1 57  ? -5.473  4.112   15.056 1.00 27.80 ? 57  ASP A OD2 1 
ATOM   453  N N   . ARG A 1 58  ? -10.345 4.171   13.678 1.00 17.19 ? 58  ARG A N   1 
ATOM   454  C CA  . ARG A 1 58  ? -11.457 4.770   14.403 1.00 22.77 ? 58  ARG A CA  1 
ATOM   455  C C   . ARG A 1 58  ? -11.164 5.008   15.865 1.00 16.81 ? 58  ARG A C   1 
ATOM   456  O O   . ARG A 1 58  ? -12.014 5.553   16.580 1.00 29.21 ? 58  ARG A O   1 
ATOM   457  C CB  . ARG A 1 58  ? -12.693 3.903   14.227 1.00 16.38 ? 58  ARG A CB  1 
ATOM   458  C CG  . ARG A 1 58  ? -13.231 3.989   12.819 1.00 19.80 ? 58  ARG A CG  1 
ATOM   459  C CD  . ARG A 1 58  ? -14.349 3.029   12.627 1.00 29.58 ? 58  ARG A CD  1 
ATOM   460  N NE  . ARG A 1 58  ? -13.820 1.675   12.628 1.00 38.09 ? 58  ARG A NE  1 
ATOM   461  C CZ  . ARG A 1 58  ? -14.509 0.600   12.285 1.00 20.75 ? 58  ARG A CZ  1 
ATOM   462  N NH1 . ARG A 1 58  ? -15.779 0.681   11.915 1.00 24.55 ? 58  ARG A NH1 1 
ATOM   463  N NH2 . ARG A 1 58  ? -13.923 -0.589  12.356 1.00 8.75  ? 58  ARG A NH2 1 
ATOM   464  N N   . ARG A 1 59  ? -9.995  4.619   16.334 1.00 20.00 ? 59  ARG A N   1 
ATOM   465  C CA  . ARG A 1 59  ? -9.650  4.811   17.723 1.00 39.20 ? 59  ARG A CA  1 
ATOM   466  C C   . ARG A 1 59  ? -8.608  5.903   17.908 1.00 30.53 ? 59  ARG A C   1 
ATOM   467  O O   . ARG A 1 59  ? -8.418  6.373   19.036 1.00 26.01 ? 59  ARG A O   1 
ATOM   468  C CB  . ARG A 1 59  ? -9.167  3.479   18.303 1.00 40.02 ? 59  ARG A CB  1 
ATOM   469  C CG  . ARG A 1 59  ? -8.939  3.445   19.777 1.00 65.98 ? 59  ARG A CG  1 
ATOM   470  C CD  . ARG A 1 59  ? -8.192  2.193   20.066 1.00 62.34 ? 59  ARG A CD  1 
ATOM   471  N NE  . ARG A 1 59  ? -8.919  0.985   19.692 1.00 51.34 ? 59  ARG A NE  1 
ATOM   472  C CZ  . ARG A 1 59  ? -9.593  0.228   20.546 1.00 52.65 ? 59  ARG A CZ  1 
ATOM   473  N NH1 . ARG A 1 59  ? -9.677  0.540   21.833 1.00 33.74 ? 59  ARG A NH1 1 
ATOM   474  N NH2 . ARG A 1 59  ? -10.196 -0.870  20.100 1.00 44.37 ? 59  ARG A NH2 1 
ATOM   475  N N   . SER A 1 60  ? -7.952  6.328   16.827 1.00 17.34 ? 60  SER A N   1 
ATOM   476  C CA  . SER A 1 60  ? -7.125  7.521   16.813 1.00 17.36 ? 60  SER A CA  1 
ATOM   477  C C   . SER A 1 60  ? -7.987  8.717   16.412 1.00 18.95 ? 60  SER A C   1 
ATOM   478  O O   . SER A 1 60  ? -9.192  8.591   16.177 1.00 17.02 ? 60  SER A O   1 
ATOM   479  C CB  . SER A 1 60  ? -5.946  7.344   15.862 1.00 9.69  ? 60  SER A CB  1 
ATOM   480  O OG  . SER A 1 60  ? -5.001  6.426   16.381 1.00 18.25 ? 60  SER A OG  1 
ATOM   481  N N   . TYR A 1 61  ? -7.375  9.899   16.316 1.00 16.12 ? 61  TYR A N   1 
ATOM   482  C CA  . TYR A 1 61  ? -8.170  11.110  16.139 1.00 25.07 ? 61  TYR A CA  1 
ATOM   483  C C   . TYR A 1 61  ? -7.742  11.896  14.913 1.00 15.63 ? 61  TYR A C   1 
ATOM   484  O O   . TYR A 1 61  ? -7.810  13.125  14.910 1.00 15.99 ? 61  TYR A O   1 
ATOM   485  C CB  . TYR A 1 61  ? -8.119  11.973  17.399 1.00 12.07 ? 61  TYR A CB  1 
ATOM   486  C CG  . TYR A 1 61  ? -8.660  11.227  18.609 1.00 19.68 ? 61  TYR A CG  1 
ATOM   487  C CD1 . TYR A 1 61  ? -10.031 11.143  18.840 1.00 37.00 ? 61  TYR A CD1 1 
ATOM   488  C CD2 . TYR A 1 61  ? -7.810  10.560  19.485 1.00 20.68 ? 61  TYR A CD2 1 
ATOM   489  C CE1 . TYR A 1 61  ? -10.537 10.445  19.927 1.00 34.63 ? 61  TYR A CE1 1 
ATOM   490  C CE2 . TYR A 1 61  ? -8.309  9.863   20.578 1.00 14.71 ? 61  TYR A CE2 1 
ATOM   491  C CZ  . TYR A 1 61  ? -9.672  9.810   20.790 1.00 28.55 ? 61  TYR A CZ  1 
ATOM   492  O OH  . TYR A 1 61  ? -10.180 9.125   21.869 1.00 45.31 ? 61  TYR A OH  1 
ATOM   493  N N   . GLY A 1 62  ? -7.326  11.197  13.858 1.00 17.23 ? 62  GLY A N   1 
ATOM   494  C CA  . GLY A 1 62  ? -6.913  11.882  12.646 1.00 13.48 ? 62  GLY A CA  1 
ATOM   495  C C   . GLY A 1 62  ? -5.723  12.767  12.926 1.00 26.75 ? 62  GLY A C   1 
ATOM   496  O O   . GLY A 1 62  ? -4.716  12.334  13.497 1.00 22.44 ? 62  GLY A O   1 
ATOM   497  N N   . CYS A 1 63  ? -5.824  14.021  12.493 1.00 23.83 ? 63  CYS A N   1 
ATOM   498  C CA  . CYS A 1 63  ? -4.761  14.986  12.718 1.00 21.53 ? 63  CYS A CA  1 
ATOM   499  C C   . CYS A 1 63  ? -4.722  15.529  14.133 1.00 23.61 ? 63  CYS A C   1 
ATOM   500  O O   . CYS A 1 63  ? -3.822  16.313  14.449 1.00 47.29 ? 63  CYS A O   1 
ATOM   501  C CB  . CYS A 1 63  ? -4.882  16.165  11.749 1.00 14.06 ? 63  CYS A CB  1 
ATOM   502  S SG  . CYS A 1 63  ? -4.504  15.759  10.067 1.00 39.30 ? 63  CYS A SG  1 
ATOM   503  N N   . ASN A 1 64  ? -5.624  15.124  15.006 1.00 9.86  ? 64  ASN A N   1 
ATOM   504  C CA  . ASN A 1 64  ? -5.527  15.560  16.386 1.00 18.21 ? 64  ASN A CA  1 
ATOM   505  C C   . ASN A 1 64  ? -4.760  14.582  17.249 1.00 15.02 ? 64  ASN A C   1 
ATOM   506  O O   . ASN A 1 64  ? -4.808  14.687  18.478 1.00 31.57 ? 64  ASN A O   1 
ATOM   507  C CB  . ASN A 1 64  ? -6.921  15.783  16.963 1.00 25.52 ? 64  ASN A CB  1 
ATOM   508  C CG  . ASN A 1 64  ? -7.616  16.974  16.351 1.00 26.58 ? 64  ASN A CG  1 
ATOM   509  O OD1 . ASN A 1 64  ? -7.093  17.619  15.441 1.00 23.91 ? 64  ASN A OD1 1 
ATOM   510  N ND2 . ASN A 1 64  ? -8.833  17.238  16.809 1.00 50.80 ? 64  ASN A ND2 1 
ATOM   511  N N   . GLY A 1 65  ? -4.078  13.627  16.643 1.00 14.28 ? 65  GLY A N   1 
ATOM   512  C CA  . GLY A 1 65  ? -3.235  12.690  17.356 1.00 16.68 ? 65  GLY A CA  1 
ATOM   513  C C   . GLY A 1 65  ? -3.837  11.297  17.374 1.00 15.25 ? 65  GLY A C   1 
ATOM   514  O O   . GLY A 1 65  ? -4.971  11.068  16.949 1.00 7.13  ? 65  GLY A O   1 
ATOM   515  N N   . GLY A 1 66  ? -3.077  10.372  17.946 1.00 9.32  ? 66  GLY A N   1 
ATOM   516  C CA  . GLY A 1 66  ? -3.489  8.986   17.876 1.00 8.87  ? 66  GLY A CA  1 
ATOM   517  C C   . GLY A 1 66  ? -2.482  8.055   18.504 1.00 12.50 ? 66  GLY A C   1 
ATOM   518  O O   . GLY A 1 66  ? -1.520  8.477   19.151 1.00 12.50 ? 66  GLY A O   1 
ATOM   519  N N   . TYR A 1 67  ? -2.686  6.768   18.236 1.00 16.27 ? 67  TYR A N   1 
ATOM   520  C CA  . TYR A 1 67  ? -2.007  5.699   18.955 1.00 16.03 ? 67  TYR A CA  1 
ATOM   521  C C   . TYR A 1 67  ? -1.327  4.781   17.955 1.00 15.48 ? 67  TYR A C   1 
ATOM   522  O O   . TYR A 1 67  ? -2.018  4.117   17.153 1.00 16.56 ? 67  TYR A O   1 
ATOM   523  C CB  . TYR A 1 67  ? -2.989  4.895   19.808 1.00 19.37 ? 67  TYR A CB  1 
ATOM   524  C CG  . TYR A 1 67  ? -3.795  5.732   20.758 1.00 29.95 ? 67  TYR A CG  1 
ATOM   525  C CD1 . TYR A 1 67  ? -3.238  6.202   21.943 1.00 36.77 ? 67  TYR A CD1 1 
ATOM   526  C CD2 . TYR A 1 67  ? -5.112  6.065   20.468 1.00 18.35 ? 67  TYR A CD2 1 
ATOM   527  C CE1 . TYR A 1 67  ? -3.973  6.979   22.813 1.00 21.95 ? 67  TYR A CE1 1 
ATOM   528  C CE2 . TYR A 1 67  ? -5.858  6.847   21.334 1.00 25.79 ? 67  TYR A CE2 1 
ATOM   529  C CZ  . TYR A 1 67  ? -5.285  7.301   22.502 1.00 24.53 ? 67  TYR A CZ  1 
ATOM   530  O OH  . TYR A 1 67  ? -6.029  8.075   23.368 1.00 42.18 ? 67  TYR A OH  1 
ATOM   531  N N   . PRO A 1 68  ? -0.005  4.698   17.968 1.00 15.16 ? 68  PRO A N   1 
ATOM   532  C CA  . PRO A 1 68  ? 0.668   3.711   17.120 1.00 9.21  ? 68  PRO A CA  1 
ATOM   533  C C   . PRO A 1 68  ? 0.145   2.304   17.345 1.00 11.71 ? 68  PRO A C   1 
ATOM   534  O O   . PRO A 1 68  ? 0.046   1.523   16.386 1.00 28.79 ? 68  PRO A O   1 
ATOM   535  C CB  . PRO A 1 68  ? 2.137   3.855   17.539 1.00 14.66 ? 68  PRO A CB  1 
ATOM   536  C CG  . PRO A 1 68  ? 2.258   5.237   18.006 1.00 23.54 ? 68  PRO A CG  1 
ATOM   537  C CD  . PRO A 1 68  ? 0.949   5.550   18.693 1.00 17.61 ? 68  PRO A CD  1 
ATOM   538  N N   A TRP A 1 69  ? -0.220  1.962   18.584 0.50 20.66 ? 69  TRP A N   1 
ATOM   539  N N   B TRP A 1 69  ? -0.195  1.958   18.592 0.50 20.66 ? 69  TRP A N   1 
ATOM   540  C CA  A TRP A 1 69  ? -0.735  0.623   18.847 0.50 17.93 ? 69  TRP A CA  1 
ATOM   541  C CA  B TRP A 1 69  ? -0.750  0.636   18.872 0.50 17.92 ? 69  TRP A CA  1 
ATOM   542  C C   A TRP A 1 69  ? -2.062  0.392   18.134 0.50 17.66 ? 69  TRP A C   1 
ATOM   543  C C   B TRP A 1 69  ? -2.042  0.411   18.104 0.50 17.55 ? 69  TRP A C   1 
ATOM   544  O O   A TRP A 1 69  ? -2.297  -0.690  17.583 0.50 21.64 ? 69  TRP A O   1 
ATOM   545  O O   B TRP A 1 69  ? -2.249  -0.661  17.523 0.50 21.59 ? 69  TRP A O   1 
ATOM   546  C CB  A TRP A 1 69  ? -0.855  0.382   20.357 0.50 23.42 ? 69  TRP A CB  1 
ATOM   547  C CB  B TRP A 1 69  ? -0.993  0.466   20.372 0.50 23.25 ? 69  TRP A CB  1 
ATOM   548  C CG  A TRP A 1 69  ? -1.707  1.342   21.153 0.50 22.10 ? 69  TRP A CG  1 
ATOM   549  C CG  B TRP A 1 69  ? -2.254  -0.300  20.691 0.50 21.39 ? 69  TRP A CG  1 
ATOM   550  C CD1 A TRP A 1 69  ? -1.279  2.436   21.859 0.50 25.92 ? 69  TRP A CD1 1 
ATOM   551  C CD1 B TRP A 1 69  ? -2.428  -1.655  20.635 0.50 26.88 ? 69  TRP A CD1 1 
ATOM   552  C CD2 A TRP A 1 69  ? -3.120  1.254   21.376 0.50 28.36 ? 69  TRP A CD2 1 
ATOM   553  C CD2 B TRP A 1 69  ? -3.503  0.245   21.126 0.50 32.29 ? 69  TRP A CD2 1 
ATOM   554  N NE1 A TRP A 1 69  ? -2.344  3.048   22.482 0.50 21.53 ? 69  TRP A NE1 1 
ATOM   555  N NE1 B TRP A 1 69  ? -3.711  -1.987  20.997 0.50 27.50 ? 69  TRP A NE1 1 
ATOM   556  C CE2 A TRP A 1 69  ? -3.485  2.342   22.203 0.50 25.64 ? 69  TRP A CE2 1 
ATOM   557  C CE2 B TRP A 1 69  ? -4.392  -0.839  21.305 0.50 38.68 ? 69  TRP A CE2 1 
ATOM   558  C CE3 A TRP A 1 69  ? -4.116  0.371   20.944 0.50 34.45 ? 69  TRP A CE3 1 
ATOM   559  C CE3 B TRP A 1 69  ? -3.959  1.544   21.383 0.50 26.91 ? 69  TRP A CE3 1 
ATOM   560  C CZ2 A TRP A 1 69  ? -4.799  2.569   22.603 0.50 34.48 ? 69  TRP A CZ2 1 
ATOM   561  C CZ2 B TRP A 1 69  ? -5.707  -0.664  21.727 0.50 38.01 ? 69  TRP A CZ2 1 
ATOM   562  C CZ3 A TRP A 1 69  ? -5.421  0.596   21.347 0.50 43.51 ? 69  TRP A CZ3 1 
ATOM   563  C CZ3 B TRP A 1 69  ? -5.263  1.717   21.802 0.50 37.71 ? 69  TRP A CZ3 1 
ATOM   564  C CH2 A TRP A 1 69  ? -5.748  1.686   22.173 0.50 42.22 ? 69  TRP A CH2 1 
ATOM   565  C CH2 B TRP A 1 69  ? -6.121  0.616   21.978 0.50 48.38 ? 69  TRP A CH2 1 
ATOM   566  N N   . SER A 1 70  ? -2.920  1.415   18.085 1.00 22.33 ? 70  SER A N   1 
ATOM   567  C CA  . SER A 1 70  ? -4.208  1.274   17.408 1.00 17.25 ? 70  SER A CA  1 
ATOM   568  C C   . SER A 1 70  ? -4.035  1.105   15.906 1.00 14.27 ? 70  SER A C   1 
ATOM   569  O O   . SER A 1 70  ? -4.721  0.285   15.278 1.00 18.78 ? 70  SER A O   1 
ATOM   570  C CB  . SER A 1 70  ? -5.078  2.491   17.717 1.00 22.21 ? 70  SER A CB  1 
ATOM   571  O OG  . SER A 1 70  ? -6.388  2.313   17.224 1.00 33.96 ? 70  SER A OG  1 
ATOM   572  N N   . ALA A 1 71  ? -3.105  1.863   15.318 1.00 18.47 ? 71  ALA A N   1 
ATOM   573  C CA  . ALA A 1 71  ? -2.830  1.751   13.889 1.00 10.93 ? 71  ALA A CA  1 
ATOM   574  C C   . ALA A 1 71  ? -2.239  0.389   13.536 1.00 11.63 ? 71  ALA A C   1 
ATOM   575  O O   . ALA A 1 71  ? -2.600  -0.209  12.512 1.00 17.03 ? 71  ALA A O   1 
ATOM   576  C CB  . ALA A 1 71  ? -1.894  2.877   13.462 1.00 6.86  ? 71  ALA A CB  1 
ATOM   577  N N   . LEU A 1 72  ? -1.347  -0.134  14.376 1.00 16.94 ? 72  LEU A N   1 
ATOM   578  C CA  . LEU A 1 72  ? -0.796  -1.447  14.065 1.00 9.06  ? 72  LEU A CA  1 
ATOM   579  C C   . LEU A 1 72  ? -1.855  -2.527  14.243 1.00 20.17 ? 72  LEU A C   1 
ATOM   580  O O   . LEU A 1 72  ? -1.883  -3.507  13.485 1.00 15.95 ? 72  LEU A O   1 
ATOM   581  C CB  . LEU A 1 72  ? 0.419   -1.724  14.940 1.00 13.36 ? 72  LEU A CB  1 
ATOM   582  C CG  . LEU A 1 72  ? 1.664   -0.905  14.574 1.00 25.25 ? 72  LEU A CG  1 
ATOM   583  C CD1 . LEU A 1 72  ? 2.768   -1.135  15.580 1.00 17.76 ? 72  LEU A CD1 1 
ATOM   584  C CD2 . LEU A 1 72  ? 2.161   -1.239  13.186 1.00 15.24 ? 72  LEU A CD2 1 
ATOM   585  N N   A GLN A 1 73  ? -2.743  -2.358  15.229 0.43 20.30 ? 73  GLN A N   1 
ATOM   586  N N   B GLN A 1 73  ? -2.750  -2.360  15.222 0.57 20.35 ? 73  GLN A N   1 
ATOM   587  C CA  A GLN A 1 73  ? -3.886  -3.254  15.362 0.43 16.88 ? 73  GLN A CA  1 
ATOM   588  C CA  B GLN A 1 73  ? -3.874  -3.280  15.339 0.57 16.83 ? 73  GLN A CA  1 
ATOM   589  C C   A GLN A 1 73  ? -4.730  -3.242  14.097 0.43 20.23 ? 73  GLN A C   1 
ATOM   590  C C   B GLN A 1 73  ? -4.728  -3.248  14.083 0.57 20.24 ? 73  GLN A C   1 
ATOM   591  O O   A GLN A 1 73  ? -5.200  -4.292  13.641 0.43 23.21 ? 73  GLN A O   1 
ATOM   592  O O   B GLN A 1 73  ? -5.207  -4.292  13.621 0.57 23.24 ? 73  GLN A O   1 
ATOM   593  C CB  A GLN A 1 73  ? -4.733  -2.850  16.573 0.43 16.69 ? 73  GLN A CB  1 
ATOM   594  C CB  B GLN A 1 73  ? -4.717  -2.938  16.565 0.57 16.63 ? 73  GLN A CB  1 
ATOM   595  C CG  A GLN A 1 73  ? -4.540  -3.729  17.804 0.43 22.81 ? 73  GLN A CG  1 
ATOM   596  C CG  B GLN A 1 73  ? -5.833  -3.930  16.832 0.57 13.55 ? 73  GLN A CG  1 
ATOM   597  C CD  A GLN A 1 73  ? -4.789  -2.990  19.114 0.43 26.14 ? 73  GLN A CD  1 
ATOM   598  C CD  B GLN A 1 73  ? -5.317  -5.337  17.060 0.57 26.15 ? 73  GLN A CD  1 
ATOM   599  O OE1 A GLN A 1 73  ? -3.913  -2.919  19.978 0.43 21.34 ? 73  GLN A OE1 1 
ATOM   600  O OE1 B GLN A 1 73  ? -4.886  -5.685  18.162 0.57 19.17 ? 73  GLN A OE1 1 
ATOM   601  N NE2 A GLN A 1 73  ? -5.991  -2.446  19.270 0.43 29.12 ? 73  GLN A NE2 1 
ATOM   602  N NE2 B GLN A 1 73  ? -5.355  -6.158  16.015 0.57 28.57 ? 73  GLN A NE2 1 
ATOM   603  N N   . LEU A 1 74  ? -4.926  -2.055  13.515 1.00 20.17 ? 74  LEU A N   1 
ATOM   604  C CA  . LEU A 1 74  ? -5.730  -1.931  12.301 1.00 21.77 ? 74  LEU A CA  1 
ATOM   605  C C   . LEU A 1 74  ? -5.068  -2.642  11.126 1.00 20.86 ? 74  LEU A C   1 
ATOM   606  O O   . LEU A 1 74  ? -5.744  -3.293  10.323 1.00 31.70 ? 74  LEU A O   1 
ATOM   607  C CB  . LEU A 1 74  ? -5.973  -0.459  11.974 1.00 23.49 ? 74  LEU A CB  1 
ATOM   608  C CG  . LEU A 1 74  ? -6.944  -0.218  10.826 1.00 37.61 ? 74  LEU A CG  1 
ATOM   609  C CD1 . LEU A 1 74  ? -8.287  -0.861  11.172 1.00 42.47 ? 74  LEU A CD1 1 
ATOM   610  C CD2 . LEU A 1 74  ? -7.094  1.287   10.572 1.00 32.06 ? 74  LEU A CD2 1 
ATOM   611  N N   . VAL A 1 75  ? -3.747  -2.510  11.000 1.00 19.39 ? 75  VAL A N   1 
ATOM   612  C CA  . VAL A 1 75  ? -3.048  -3.177  9.907  1.00 12.56 ? 75  VAL A CA  1 
ATOM   613  C C   . VAL A 1 75  ? -3.080  -4.678  10.103 1.00 20.86 ? 75  VAL A C   1 
ATOM   614  O O   . VAL A 1 75  ? -3.102  -5.438  9.126  1.00 17.25 ? 75  VAL A O   1 
ATOM   615  C CB  . VAL A 1 75  ? -1.594  -2.689  9.786  1.00 12.61 ? 75  VAL A CB  1 
ATOM   616  C CG1 . VAL A 1 75  ? -0.880  -3.411  8.619  1.00 8.60  ? 75  VAL A CG1 1 
ATOM   617  C CG2 . VAL A 1 75  ? -1.569  -1.210  9.587  1.00 9.34  ? 75  VAL A CG2 1 
ATOM   618  N N   . ALA A 1 76  ? -3.112  -5.139  11.355 1.00 16.71 ? 76  ALA A N   1 
ATOM   619  C CA  . ALA A 1 76  ? -3.187  -6.580  11.542 1.00 20.65 ? 76  ALA A CA  1 
ATOM   620  C C   . ALA A 1 76  ? -4.592  -7.092  11.283 1.00 20.20 ? 76  ALA A C   1 
ATOM   621  O O   . ALA A 1 76  ? -4.748  -8.194  10.743 1.00 23.90 ? 76  ALA A O   1 
ATOM   622  C CB  . ALA A 1 76  ? -2.746  -6.973  12.953 1.00 14.15 ? 76  ALA A CB  1 
ATOM   623  N N   . GLN A 1 77  ? -5.619  -6.299  11.596 1.00 22.21 ? 77  GLN A N   1 
ATOM   624  C CA  . GLN A 1 77  ? -6.985  -6.794  11.446 1.00 23.28 ? 77  GLN A CA  1 
ATOM   625  C C   . GLN A 1 77  ? -7.458  -6.695  9.997  1.00 13.66 ? 77  GLN A C   1 
ATOM   626  O O   . GLN A 1 77  ? -7.953  -7.676  9.430  1.00 20.88 ? 77  GLN A O   1 
ATOM   627  C CB  . GLN A 1 77  ? -7.941  -6.042  12.376 1.00 23.88 ? 77  GLN A CB  1 
ATOM   628  C CG  . GLN A 1 77  ? -9.327  -5.868  11.768 1.00 54.08 ? 77  GLN A CG  1 
ATOM   629  C CD  . GLN A 1 77  ? -10.373 -5.483  12.781 1.00 63.29 ? 77  GLN A CD  1 
ATOM   630  O OE1 . GLN A 1 77  ? -10.127 -5.525  13.986 1.00 48.29 ? 77  GLN A OE1 1 
ATOM   631  N NE2 . GLN A 1 77  ? -11.573 -5.162  12.302 1.00 51.84 ? 77  GLN A NE2 1 
ATOM   632  N N   . TYR A 1 78  ? -7.337  -5.519  9.380  1.00 35.98 ? 78  TYR A N   1 
ATOM   633  C CA  . TYR A 1 78  ? -7.686  -5.403  7.967  1.00 28.50 ? 78  TYR A CA  1 
ATOM   634  C C   . TYR A 1 78  ? -6.458  -5.500  7.075  1.00 19.74 ? 78  TYR A C   1 
ATOM   635  O O   . TYR A 1 78  ? -6.284  -6.493  6.363  1.00 41.68 ? 78  TYR A O   1 
ATOM   636  C CB  . TYR A 1 78  ? -8.479  -4.129  7.662  1.00 23.40 ? 78  TYR A CB  1 
ATOM   637  C CG  . TYR A 1 78  ? -9.819  -4.030  8.384  1.00 43.30 ? 78  TYR A CG  1 
ATOM   638  C CD1 . TYR A 1 78  ? -10.949 -4.682  7.887  1.00 52.32 ? 78  TYR A CD1 1 
ATOM   639  C CD2 . TYR A 1 78  ? -9.985  -3.201  9.479  1.00 50.12 ? 78  TYR A CD2 1 
ATOM   640  C CE1 . TYR A 1 78  ? -12.181 -4.578  8.520  1.00 63.72 ? 78  TYR A CE1 1 
ATOM   641  C CE2 . TYR A 1 78  ? -11.217 -3.075  10.108 1.00 64.75 ? 78  TYR A CE2 1 
ATOM   642  C CZ  . TYR A 1 78  ? -12.310 -3.766  9.628  1.00 72.90 ? 78  TYR A CZ  1 
ATOM   643  O OH  . TYR A 1 78  ? -13.530 -3.647  10.260 1.00 66.78 ? 78  TYR A OH  1 
ATOM   644  N N   . GLY A 1 79  ? -5.605  -4.500  7.103  1.00 22.03 ? 79  GLY A N   1 
ATOM   645  C CA  . GLY A 1 79  ? -4.458  -4.471  6.225  1.00 19.56 ? 79  GLY A CA  1 
ATOM   646  C C   . GLY A 1 79  ? -4.133  -3.034  5.890  1.00 18.69 ? 79  GLY A C   1 
ATOM   647  O O   . GLY A 1 79  ? -4.652  -2.104  6.502  1.00 16.67 ? 79  GLY A O   1 
ATOM   648  N N   . ILE A 1 80  ? -3.273  -2.861  4.889  1.00 10.67 ? 80  ILE A N   1 
ATOM   649  C CA  . ILE A 1 80  ? -2.860  -1.521  4.505  1.00 9.40  ? 80  ILE A CA  1 
ATOM   650  C C   . ILE A 1 80  ? -2.550  -1.519  3.018  1.00 19.27 ? 80  ILE A C   1 
ATOM   651  O O   . ILE A 1 80  ? -2.127  -2.530  2.450  1.00 22.05 ? 80  ILE A O   1 
ATOM   652  C CB  . ILE A 1 80  ? -1.669  -1.058  5.385  1.00 24.81 ? 80  ILE A CB  1 
ATOM   653  C CG1 . ILE A 1 80  ? -1.407  0.436   5.235  1.00 13.91 ? 80  ILE A CG1 1 
ATOM   654  C CG2 . ILE A 1 80  ? -0.406  -1.840  5.059  1.00 13.66 ? 80  ILE A CG2 1 
ATOM   655  C CD1 . ILE A 1 80  ? -0.521  0.964   6.319  1.00 2.00  ? 80  ILE A CD1 1 
ATOM   656  N N   . HIS A 1 81  ? -2.818  -0.385  2.378  1.00 12.88 ? 81  HIS A N   1 
ATOM   657  C CA  . HIS A 1 81  ? -2.557  -0.203  0.959  1.00 20.05 ? 81  HIS A CA  1 
ATOM   658  C C   . HIS A 1 81  ? -1.180  0.407   0.730  1.00 11.44 ? 81  HIS A C   1 
ATOM   659  O O   . HIS A 1 81  ? -0.575  0.994   1.630  1.00 14.52 ? 81  HIS A O   1 
ATOM   660  C CB  . HIS A 1 81  ? -3.625  0.695   0.339  1.00 4.67  ? 81  HIS A CB  1 
ATOM   661  C CG  . HIS A 1 81  ? -4.954  0.027   0.182  1.00 14.28 ? 81  HIS A CG  1 
ATOM   662  N ND1 . HIS A 1 81  ? -5.930  0.092   1.155  1.00 13.95 ? 81  HIS A ND1 1 
ATOM   663  C CD2 . HIS A 1 81  ? -5.469  -0.726  -0.819 1.00 12.94 ? 81  HIS A CD2 1 
ATOM   664  C CE1 . HIS A 1 81  ? -6.996  -0.576  0.752  1.00 11.61 ? 81  HIS A CE1 1 
ATOM   665  N NE2 . HIS A 1 81  ? -6.742  -1.083  -0.442 1.00 22.24 ? 81  HIS A NE2 1 
ATOM   666  N N   . TYR A 1 82  ? -0.686  0.254   -0.497 1.00 10.46 ? 82  TYR A N   1 
ATOM   667  C CA  . TYR A 1 82  ? 0.539   0.936   -0.891 1.00 13.20 ? 82  TYR A CA  1 
ATOM   668  C C   . TYR A 1 82  ? 0.354   2.444   -0.798 1.00 14.54 ? 82  TYR A C   1 
ATOM   669  O O   . TYR A 1 82  ? -0.755  2.968   -0.939 1.00 12.56 ? 82  TYR A O   1 
ATOM   670  C CB  . TYR A 1 82  ? 0.951   0.555   -2.316 1.00 16.14 ? 82  TYR A CB  1 
ATOM   671  C CG  . TYR A 1 82  ? 1.507   -0.838  -2.463 1.00 15.87 ? 82  TYR A CG  1 
ATOM   672  C CD1 . TYR A 1 82  ? 2.531   -1.278  -1.643 1.00 17.72 ? 82  TYR A CD1 1 
ATOM   673  C CD2 . TYR A 1 82  ? 0.997   -1.722  -3.403 1.00 19.90 ? 82  TYR A CD2 1 
ATOM   674  C CE1 . TYR A 1 82  ? 3.049   -2.548  -1.769 1.00 18.24 ? 82  TYR A CE1 1 
ATOM   675  C CE2 . TYR A 1 82  ? 1.502   -2.999  -3.527 1.00 23.63 ? 82  TYR A CE2 1 
ATOM   676  C CZ  . TYR A 1 82  ? 2.529   -3.409  -2.703 1.00 14.66 ? 82  TYR A CZ  1 
ATOM   677  O OH  . TYR A 1 82  ? 3.047   -4.679  -2.818 1.00 25.06 ? 82  TYR A OH  1 
ATOM   678  N N   . ARG A 1 83  ? 1.456   3.144   -0.544 1.00 7.90  ? 83  ARG A N   1 
ATOM   679  C CA  . ARG A 1 83  ? 1.379   4.590   -0.433 1.00 6.16  ? 83  ARG A CA  1 
ATOM   680  C C   . ARG A 1 83  ? 0.875   5.209   -1.726 1.00 18.22 ? 83  ARG A C   1 
ATOM   681  O O   . ARG A 1 83  ? -0.030  6.048   -1.708 1.00 16.36 ? 83  ARG A O   1 
ATOM   682  C CB  . ARG A 1 83  ? 2.741   5.160   -0.048 1.00 20.36 ? 83  ARG A CB  1 
ATOM   683  C CG  . ARG A 1 83  ? 2.637   6.520   0.611  1.00 13.21 ? 83  ARG A CG  1 
ATOM   684  C CD  . ARG A 1 83  ? 3.982   7.051   1.008  1.00 26.96 ? 83  ARG A CD  1 
ATOM   685  N NE  . ARG A 1 83  ? 3.853   8.043   2.067  1.00 26.35 ? 83  ARG A NE  1 
ATOM   686  C CZ  . ARG A 1 83  ? 4.273   9.294   1.981  1.00 24.36 ? 83  ARG A CZ  1 
ATOM   687  N NH1 . ARG A 1 83  ? 4.897   9.737   0.906  1.00 20.63 ? 83  ARG A NH1 1 
ATOM   688  N NH2 . ARG A 1 83  ? 4.090   10.110  3.014  1.00 32.73 ? 83  ARG A NH2 1 
ATOM   689  N N   A ASN A 1 84  ? 1.448   4.806   -2.865 0.50 18.76 ? 84  ASN A N   1 
ATOM   690  N N   B ASN A 1 84  ? 1.448   4.806   -2.865 0.50 18.76 ? 84  ASN A N   1 
ATOM   691  C CA  A ASN A 1 84  ? 1.003   5.352   -4.142 0.50 18.07 ? 84  ASN A CA  1 
ATOM   692  C CA  B ASN A 1 84  ? 1.003   5.352   -4.142 0.50 18.07 ? 84  ASN A CA  1 
ATOM   693  C C   A ASN A 1 84  ? -0.481  5.106   -4.378 0.50 18.70 ? 84  ASN A C   1 
ATOM   694  C C   B ASN A 1 84  ? -0.481  5.106   -4.378 0.50 18.70 ? 84  ASN A C   1 
ATOM   695  O O   A ASN A 1 84  ? -1.112  5.858   -5.128 0.50 17.64 ? 84  ASN A O   1 
ATOM   696  O O   B ASN A 1 84  ? -1.112  5.858   -5.128 0.50 17.64 ? 84  ASN A O   1 
ATOM   697  C CB  A ASN A 1 84  ? 1.826   4.761   -5.288 0.50 17.51 ? 84  ASN A CB  1 
ATOM   698  C CB  B ASN A 1 84  ? 1.826   4.761   -5.288 0.50 17.51 ? 84  ASN A CB  1 
ATOM   699  C CG  A ASN A 1 84  ? 1.858   3.244   -5.264 0.50 39.20 ? 84  ASN A CG  1 
ATOM   700  C CG  B ASN A 1 84  ? 1.858   3.244   -5.263 0.50 39.20 ? 84  ASN A CG  1 
ATOM   701  O OD1 A ASN A 1 84  ? 0.918   2.590   -5.716 0.50 39.69 ? 84  ASN A OD1 1 
ATOM   702  O OD1 B ASN A 1 84  ? 0.918   2.589   -5.716 0.50 39.69 ? 84  ASN A OD1 1 
ATOM   703  N ND2 A ASN A 1 84  ? 2.943   2.675   -4.737 0.50 32.15 ? 84  ASN A ND2 1 
ATOM   704  N ND2 B ASN A 1 84  ? 2.943   2.675   -4.736 0.50 32.15 ? 84  ASN A ND2 1 
ATOM   705  N N   . THR A 1 85  ? -1.054  4.087   -3.734 1.00 12.77 ? 85  THR A N   1 
ATOM   706  C CA  . THR A 1 85  ? -2.476  3.792   -3.870 1.00 15.06 ? 85  THR A CA  1 
ATOM   707  C C   . THR A 1 85  ? -3.330  4.700   -2.988 1.00 14.00 ? 85  THR A C   1 
ATOM   708  O O   . THR A 1 85  ? -4.483  4.987   -3.325 1.00 15.58 ? 85  THR A O   1 
ATOM   709  C CB  . THR A 1 85  ? -2.705  2.317   -3.518 1.00 21.13 ? 85  THR A CB  1 
ATOM   710  O OG1 . THR A 1 85  ? -1.805  1.505   -4.292 1.00 14.35 ? 85  THR A OG1 1 
ATOM   711  C CG2 . THR A 1 85  ? -4.153  1.883   -3.776 1.00 14.63 ? 85  THR A CG2 1 
ATOM   712  N N   . TYR A 1 86  ? -2.787  5.142   -1.857 1.00 11.50 ? 86  TYR A N   1 
ATOM   713  C CA  . TYR A 1 86  ? -3.534  5.857   -0.820 1.00 8.06  ? 86  TYR A CA  1 
ATOM   714  C C   . TYR A 1 86  ? -2.559  6.901   -0.287 1.00 2.31  ? 86  TYR A C   1 
ATOM   715  O O   . TYR A 1 86  ? -2.087  6.814   0.850  1.00 6.06  ? 86  TYR A O   1 
ATOM   716  C CB  . TYR A 1 86  ? -3.998  4.893   0.274  1.00 3.62  ? 86  TYR A CB  1 
ATOM   717  C CG  . TYR A 1 86  ? -5.220  5.305   1.048  1.00 13.64 ? 86  TYR A CG  1 
ATOM   718  C CD1 . TYR A 1 86  ? -5.516  6.648   1.262  1.00 16.53 ? 86  TYR A CD1 1 
ATOM   719  C CD2 . TYR A 1 86  ? -6.058  4.341   1.624  1.00 9.67  ? 86  TYR A CD2 1 
ATOM   720  C CE1 . TYR A 1 86  ? -6.641  7.034   1.986  1.00 9.97  ? 86  TYR A CE1 1 
ATOM   721  C CE2 . TYR A 1 86  ? -7.182  4.716   2.361  1.00 9.95  ? 86  TYR A CE2 1 
ATOM   722  C CZ  . TYR A 1 86  ? -7.466  6.069   2.534  1.00 16.73 ? 86  TYR A CZ  1 
ATOM   723  O OH  . TYR A 1 86  ? -8.574  6.465   3.258  1.00 17.98 ? 86  TYR A OH  1 
ATOM   724  N N   . PRO A 1 87  ? -2.249  7.923   -1.088 1.00 13.32 ? 87  PRO A N   1 
ATOM   725  C CA  . PRO A 1 87  ? -1.147  8.836   -0.740 1.00 17.12 ? 87  PRO A CA  1 
ATOM   726  C C   . PRO A 1 87  ? -1.473  9.781   0.405  1.00 8.02  ? 87  PRO A C   1 
ATOM   727  O O   . PRO A 1 87  ? -2.630  9.990   0.775  1.00 9.19  ? 87  PRO A O   1 
ATOM   728  C CB  . PRO A 1 87  ? -0.909  9.611   -2.040 1.00 16.82 ? 87  PRO A CB  1 
ATOM   729  C CG  . PRO A 1 87  ? -2.216  9.523   -2.758 1.00 18.37 ? 87  PRO A CG  1 
ATOM   730  C CD  . PRO A 1 87  ? -2.731  8.156   -2.465 1.00 11.63 ? 87  PRO A CD  1 
ATOM   731  N N   . TYR A 1 88  ? -0.414  10.377  0.953  1.00 2.67  ? 88  TYR A N   1 
ATOM   732  C CA  . TYR A 1 88  ? -0.556  11.204  2.140  1.00 13.95 ? 88  TYR A CA  1 
ATOM   733  C C   . TYR A 1 88  ? -1.071  12.573  1.724  1.00 16.69 ? 88  TYR A C   1 
ATOM   734  O O   . TYR A 1 88  ? -0.511  13.230  0.838  1.00 6.02  ? 88  TYR A O   1 
ATOM   735  C CB  . TYR A 1 88  ? 0.766   11.344  2.881  1.00 20.72 ? 88  TYR A CB  1 
ATOM   736  C CG  . TYR A 1 88  ? 0.630   12.096  4.184  1.00 22.98 ? 88  TYR A CG  1 
ATOM   737  C CD1 . TYR A 1 88  ? -0.151  11.599  5.227  1.00 14.02 ? 88  TYR A CD1 1 
ATOM   738  C CD2 . TYR A 1 88  ? 1.215   13.347  4.343  1.00 13.26 ? 88  TYR A CD2 1 
ATOM   739  C CE1 . TYR A 1 88  ? -0.284  12.299  6.418  1.00 19.41 ? 88  TYR A CE1 1 
ATOM   740  C CE2 . TYR A 1 88  ? 1.085   14.053  5.527  1.00 18.12 ? 88  TYR A CE2 1 
ATOM   741  C CZ  . TYR A 1 88  ? 0.339   13.527  6.560  1.00 18.15 ? 88  TYR A CZ  1 
ATOM   742  O OH  . TYR A 1 88  ? 0.223   14.242  7.730  1.00 9.91  ? 88  TYR A OH  1 
ATOM   743  N N   . GLU A 1 89  ? -2.121  13.008  2.396  1.00 9.58  ? 89  GLU A N   1 
ATOM   744  C CA  . GLU A 1 89  ? -2.812  14.234  2.064  1.00 13.60 ? 89  GLU A CA  1 
ATOM   745  C C   . GLU A 1 89  ? -2.712  15.288  3.146  1.00 13.38 ? 89  GLU A C   1 
ATOM   746  O O   . GLU A 1 89  ? -3.058  16.446  2.889  1.00 9.32  ? 89  GLU A O   1 
ATOM   747  C CB  . GLU A 1 89  ? -4.282  13.873  1.817  1.00 17.23 ? 89  GLU A CB  1 
ATOM   748  C CG  . GLU A 1 89  ? -4.576  13.402  0.401  1.00 34.45 ? 89  GLU A CG  1 
ATOM   749  C CD  . GLU A 1 89  ? -6.054  13.134  0.182  1.00 20.26 ? 89  GLU A CD  1 
ATOM   750  O OE1 . GLU A 1 89  ? -6.755  13.969  -0.433 1.00 21.86 ? 89  GLU A OE1 1 
ATOM   751  O OE2 . GLU A 1 89  ? -6.500  12.046  0.612  1.00 14.66 ? 89  GLU A OE2 1 
ATOM   752  N N   . GLY A 1 90  ? -2.243  14.925  4.336  1.00 11.89 ? 90  GLY A N   1 
ATOM   753  C CA  . GLY A 1 90  ? -2.021  15.899  5.380  1.00 6.60  ? 90  GLY A CA  1 
ATOM   754  C C   . GLY A 1 90  ? -3.289  16.385  6.017  1.00 10.93 ? 90  GLY A C   1 
ATOM   755  O O   . GLY A 1 90  ? -3.261  17.357  6.776  1.00 15.31 ? 90  GLY A O   1 
ATOM   756  N N   . VAL A 1 91  ? -4.392  15.681  5.797  1.00 6.52  ? 91  VAL A N   1 
ATOM   757  C CA  . VAL A 1 91  ? -5.679  16.021  6.381  1.00 21.43 ? 91  VAL A CA  1 
ATOM   758  C C   . VAL A 1 91  ? -6.464  14.736  6.536  1.00 19.49 ? 91  VAL A C   1 
ATOM   759  O O   . VAL A 1 91  ? -6.323  13.809  5.732  1.00 14.91 ? 91  VAL A O   1 
ATOM   760  C CB  . VAL A 1 91  ? -6.503  16.986  5.485  1.00 24.98 ? 91  VAL A CB  1 
ATOM   761  C CG1 . VAL A 1 91  ? -7.797  17.352  6.169  1.00 14.33 ? 91  VAL A CG1 1 
ATOM   762  C CG2 . VAL A 1 91  ? -5.754  18.252  5.120  1.00 45.12 ? 91  VAL A CG2 1 
ATOM   763  N N   . GLN A 1 92  ? -7.223  14.636  7.618  1.00 13.93 ? 92  GLN A N   1 
ATOM   764  C CA  . GLN A 1 92  ? -8.055  13.462  7.775  1.00 16.83 ? 92  GLN A CA  1 
ATOM   765  C C   . GLN A 1 92  ? -9.267  13.589  6.866  1.00 23.44 ? 92  GLN A C   1 
ATOM   766  O O   . GLN A 1 92  ? -9.921  14.636  6.810  1.00 13.10 ? 92  GLN A O   1 
ATOM   767  C CB  . GLN A 1 92  ? -8.528  13.277  9.207  1.00 11.63 ? 92  GLN A CB  1 
ATOM   768  C CG  . GLN A 1 92  ? -9.257  11.966  9.366  1.00 13.61 ? 92  GLN A CG  1 
ATOM   769  C CD  . GLN A 1 92  ? -9.828  11.773  10.733 1.00 7.75  ? 92  GLN A CD  1 
ATOM   770  O OE1 . GLN A 1 92  ? -10.473 12.671  11.272 1.00 30.64 ? 92  GLN A OE1 1 
ATOM   771  N NE2 . GLN A 1 92  ? -9.655  10.577  11.290 1.00 16.30 ? 92  GLN A NE2 1 
ATOM   772  N N   . ARG A 1 93  ? -9.581  12.512  6.175  1.00 9.93  ? 93  ARG A N   1 
ATOM   773  C CA  . ARG A 1 93  ? -10.751 12.459  5.324  1.00 21.92 ? 93  ARG A CA  1 
ATOM   774  C C   . ARG A 1 93  ? -11.494 11.193  5.714  1.00 17.87 ? 93  ARG A C   1 
ATOM   775  O O   . ARG A 1 93  ? -11.051 10.448  6.595  1.00 28.32 ? 93  ARG A O   1 
ATOM   776  C CB  . ARG A 1 93  ? -10.357 12.487  3.846  1.00 11.17 ? 93  ARG A CB  1 
ATOM   777  C CG  . ARG A 1 93  ? -9.667  13.771  3.407  1.00 12.68 ? 93  ARG A CG  1 
ATOM   778  C CD  . ARG A 1 93  ? -9.359  13.689  1.914  1.00 22.91 ? 93  ARG A CD  1 
ATOM   779  N NE  . ARG A 1 93  ? -10.527 13.572  1.050  1.00 16.73 ? 93  ARG A NE  1 
ATOM   780  C CZ  . ARG A 1 93  ? -10.448 13.485  -0.271 1.00 23.12 ? 93  ARG A CZ  1 
ATOM   781  N NH1 . ARG A 1 93  ? -9.279  13.487  -0.893 1.00 18.11 ? 93  ARG A NH1 1 
ATOM   782  N NH2 . ARG A 1 93  ? -11.566 13.408  -0.987 1.00 26.22 ? 93  ARG A NH2 1 
ATOM   783  N N   . TYR A 1 94  ? -12.599 10.912  5.039  1.00 27.73 ? 94  TYR A N   1 
ATOM   784  C CA  . TYR A 1 94  ? -13.306 9.666   5.308  1.00 26.26 ? 94  TYR A CA  1 
ATOM   785  C C   . TYR A 1 94  ? -12.428 8.470   4.942  1.00 15.61 ? 94  TYR A C   1 
ATOM   786  O O   . TYR A 1 94  ? -11.560 8.551   4.072  1.00 15.30 ? 94  TYR A O   1 
ATOM   787  C CB  . TYR A 1 94  ? -14.670 9.610   4.620  1.00 44.33 ? 94  TYR A CB  1 
ATOM   788  C CG  . TYR A 1 94  ? -14.665 9.396   3.137  1.00 43.09 ? 94  TYR A CG  1 
ATOM   789  C CD1 . TYR A 1 94  ? -13.836 10.138  2.301  1.00 40.35 ? 94  TYR A CD1 1 
ATOM   790  C CD2 . TYR A 1 94  ? -15.447 8.391   2.574  1.00 59.12 ? 94  TYR A CD2 1 
ATOM   791  C CE1 . TYR A 1 94  ? -13.831 9.928   0.940  1.00 50.50 ? 94  TYR A CE1 1 
ATOM   792  C CE2 . TYR A 1 94  ? -15.449 8.168   1.221  1.00 67.92 ? 94  TYR A CE2 1 
ATOM   793  C CZ  . TYR A 1 94  ? -14.631 8.931   0.402  1.00 85.93 ? 94  TYR A CZ  1 
ATOM   794  O OH  . TYR A 1 94  ? -14.624 8.715   -0.959 1.00 49.90 ? 94  TYR A OH  1 
ATOM   795  N N   . CYS A 1 95  ? -12.645 7.360   5.639  1.00 17.20 ? 95  CYS A N   1 
ATOM   796  C CA  . CYS A 1 95  ? -11.947 6.120   5.329  1.00 15.30 ? 95  CYS A CA  1 
ATOM   797  C C   . CYS A 1 95  ? -12.313 5.572   3.958  1.00 19.88 ? 95  CYS A C   1 
ATOM   798  O O   . CYS A 1 95  ? -13.486 5.325   3.659  1.00 19.76 ? 95  CYS A O   1 
ATOM   799  C CB  . CYS A 1 95  ? -12.239 5.060   6.387  1.00 25.07 ? 95  CYS A CB  1 
ATOM   800  S SG  . CYS A 1 95  ? -11.361 3.480   6.086  1.00 32.44 ? 95  CYS A SG  1 
ATOM   801  N N   . ARG A 1 96  ? -11.288 5.428   3.115  1.00 17.15 ? 96  ARG A N   1 
ATOM   802  C CA  . ARG A 1 96  ? -11.406 5.009   1.724  1.00 13.15 ? 96  ARG A CA  1 
ATOM   803  C C   . ARG A 1 96  ? -10.728 3.669   1.491  1.00 16.07 ? 96  ARG A C   1 
ATOM   804  O O   . ARG A 1 96  ? -10.385 3.344   0.354  1.00 21.18 ? 96  ARG A O   1 
ATOM   805  C CB  . ARG A 1 96  ? -10.805 6.063   0.793  1.00 12.23 ? 96  ARG A CB  1 
ATOM   806  C CG  . ARG A 1 96  ? -11.556 7.359   0.788  1.00 15.69 ? 96  ARG A CG  1 
ATOM   807  C CD  . ARG A 1 96  ? -10.746 8.539   0.279  1.00 11.01 ? 96  ARG A CD  1 
ATOM   808  N NE  . ARG A 1 96  ? -9.885  9.109   1.308  1.00 11.82 ? 96  ARG A NE  1 
ATOM   809  C CZ  . ARG A 1 96  ? -8.867  9.918   1.049  1.00 26.89 ? 96  ARG A CZ  1 
ATOM   810  N NH1 . ARG A 1 96  ? -8.532  10.224  -0.195 1.00 17.30 ? 96  ARG A NH1 1 
ATOM   811  N NH2 . ARG A 1 96  ? -8.194  10.464  2.060  1.00 5.83  ? 96  ARG A NH2 1 
ATOM   812  N N   . SER A 1 97  ? -10.534 2.884   2.554  1.00 25.10 ? 97  SER A N   1 
ATOM   813  C CA  . SER A 1 97  ? -9.792  1.633   2.447  1.00 21.30 ? 97  SER A CA  1 
ATOM   814  C C   . SER A 1 97  ? -10.523 0.611   1.588  1.00 24.20 ? 97  SER A C   1 
ATOM   815  O O   . SER A 1 97  ? -9.888  -0.197  0.905  1.00 29.05 ? 97  SER A O   1 
ATOM   816  C CB  . SER A 1 97  ? -9.541  1.070   3.845  1.00 26.56 ? 97  SER A CB  1 
ATOM   817  O OG  . SER A 1 97  ? -10.732 1.089   4.626  1.00 27.68 ? 97  SER A OG  1 
ATOM   818  N N   . ARG A 1 98  ? -11.849 0.631   1.604  1.00 28.63 ? 98  ARG A N   1 
ATOM   819  C CA  . ARG A 1 98  ? -12.598 -0.321  0.797  1.00 19.99 ? 98  ARG A CA  1 
ATOM   820  C C   . ARG A 1 98  ? -12.589 0.064   -0.674 1.00 15.29 ? 98  ARG A C   1 
ATOM   821  O O   . ARG A 1 98  ? -12.449 -0.800  -1.547 1.00 40.50 ? 98  ARG A O   1 
ATOM   822  C CB  . ARG A 1 98  ? -14.025 -0.421  1.328  1.00 34.31 ? 98  ARG A CB  1 
ATOM   823  C CG  . ARG A 1 98  ? -15.030 -0.922  0.321  1.00 65.21 ? 98  ARG A CG  1 
ATOM   824  C CD  . ARG A 1 98  ? -16.060 -1.800  1.001  1.00 81.39 ? 98  ARG A CD  1 
ATOM   825  N NE  . ARG A 1 98  ? -17.392 -1.625  0.438  1.00 80.92 ? 98  ARG A NE  1 
ATOM   826  C CZ  . ARG A 1 98  ? -18.509 -1.781  1.133  1.00 81.35 ? 98  ARG A CZ  1 
ATOM   827  N NH1 . ARG A 1 98  ? -18.479 -2.135  2.409  1.00 43.99 ? 98  ARG A NH1 1 
ATOM   828  N NH2 . ARG A 1 98  ? -19.681 -1.580  0.534  1.00 59.22 ? 98  ARG A NH2 1 
ATOM   829  N N   . GLU A 1 99  ? -12.732 1.347   -0.968 1.00 23.92 ? 99  GLU A N   1 
ATOM   830  C CA  . GLU A 1 99  ? -12.822 1.809   -2.345 1.00 24.17 ? 99  GLU A CA  1 
ATOM   831  C C   . GLU A 1 99  ? -11.527 1.699   -3.105 1.00 24.97 ? 99  GLU A C   1 
ATOM   832  O O   . GLU A 1 99  ? -11.511 1.996   -4.303 1.00 25.62 ? 99  GLU A O   1 
ATOM   833  C CB  . GLU A 1 99  ? -13.109 3.304   -2.316 1.00 18.59 ? 99  GLU A CB  1 
ATOM   834  C CG  . GLU A 1 99  ? -13.982 3.780   -1.203 1.00 36.74 ? 99  GLU A CG  1 
ATOM   835  C CD  . GLU A 1 99  ? -14.295 5.254   -1.335 1.00 53.03 ? 99  GLU A CD  1 
ATOM   836  O OE1 . GLU A 1 99  ? -14.135 5.799   -2.455 1.00 40.99 ? 99  GLU A OE1 1 
ATOM   837  O OE2 . GLU A 1 99  ? -14.639 5.869   -0.310 1.00 45.41 ? 99  GLU A OE2 1 
ATOM   838  N N   . LYS A 1 100 ? -10.460 1.258   -2.460 1.00 23.69 ? 100 LYS A N   1 
ATOM   839  C CA  . LYS A 1 100 ? -9.161  1.211   -3.101 1.00 10.47 ? 100 LYS A CA  1 
ATOM   840  C C   . LYS A 1 100 ? -8.704  -0.202  -3.358 1.00 15.97 ? 100 LYS A C   1 
ATOM   841  O O   . LYS A 1 100 ? -7.511  -0.433  -3.577 1.00 38.32 ? 100 LYS A O   1 
ATOM   842  C CB  . LYS A 1 100 ? -8.165  1.990   -2.236 1.00 12.40 ? 100 LYS A CB  1 
ATOM   843  C CG  . LYS A 1 100 ? -8.461  3.496   -2.300 1.00 19.03 ? 100 LYS A CG  1 
ATOM   844  C CD  . LYS A 1 100 ? -7.609  4.325   -1.382 1.00 17.93 ? 100 LYS A CD  1 
ATOM   845  C CE  . LYS A 1 100 ? -7.960  5.820   -1.470 1.00 7.97  ? 100 LYS A CE  1 
ATOM   846  N NZ  . LYS A 1 100 ? -7.420  6.571   -2.628 1.00 4.07  ? 100 LYS A NZ  1 
ATOM   847  N N   . GLY A 1 101 ? -9.630  -1.151  -3.375 1.00 9.63  ? 101 GLY A N   1 
ATOM   848  C CA  . GLY A 1 101 ? -9.272  -2.496  -3.741 1.00 27.49 ? 101 GLY A CA  1 
ATOM   849  C C   . GLY A 1 101 ? -8.660  -3.234  -2.575 1.00 32.80 ? 101 GLY A C   1 
ATOM   850  O O   . GLY A 1 101 ? -8.639  -2.744  -1.438 1.00 30.53 ? 101 GLY A O   1 
ATOM   851  N N   . PRO A 1 102 ? -8.148  -4.437  -2.845 1.00 24.67 ? 102 PRO A N   1 
ATOM   852  C CA  . PRO A 1 102 ? -7.598  -5.260  -1.763 1.00 24.12 ? 102 PRO A CA  1 
ATOM   853  C C   . PRO A 1 102 ? -6.415  -4.570  -1.107 1.00 27.67 ? 102 PRO A C   1 
ATOM   854  O O   . PRO A 1 102 ? -5.704  -3.777  -1.731 1.00 31.66 ? 102 PRO A O   1 
ATOM   855  C CB  . PRO A 1 102 ? -7.168  -6.553  -2.469 1.00 30.04 ? 102 PRO A CB  1 
ATOM   856  C CG  . PRO A 1 102 ? -7.149  -6.223  -3.950 1.00 35.19 ? 102 PRO A CG  1 
ATOM   857  C CD  . PRO A 1 102 ? -8.078  -5.083  -4.173 1.00 43.26 ? 102 PRO A CD  1 
ATOM   858  N N   A TYR A 1 103 ? -6.215  -4.863  0.173  0.56 18.74 ? 103 TYR A N   1 
ATOM   859  N N   B TYR A 1 103 ? -6.232  -4.858  0.180  0.44 18.76 ? 103 TYR A N   1 
ATOM   860  C CA  A TYR A 1 103 ? -5.093  -4.283  0.894  0.56 18.41 ? 103 TYR A CA  1 
ATOM   861  C CA  B TYR A 1 103 ? -5.076  -4.343  0.892  0.44 18.39 ? 103 TYR A CA  1 
ATOM   862  C C   A TYR A 1 103 ? -3.790  -4.850  0.352  0.56 16.06 ? 103 TYR A C   1 
ATOM   863  C C   B TYR A 1 103 ? -3.810  -4.802  0.187  0.44 16.08 ? 103 TYR A C   1 
ATOM   864  O O   A TYR A 1 103 ? -3.727  -6.012  -0.055 0.56 20.95 ? 103 TYR A O   1 
ATOM   865  O O   B TYR A 1 103 ? -3.794  -5.829  -0.496 0.44 20.04 ? 103 TYR A O   1 
ATOM   866  C CB  A TYR A 1 103 ? -5.231  -4.562  2.390  0.56 19.38 ? 103 TYR A CB  1 
ATOM   867  C CB  B TYR A 1 103 ? -5.093  -4.802  2.358  0.44 18.71 ? 103 TYR A CB  1 
ATOM   868  C CG  A TYR A 1 103 ? -6.431  -3.884  3.024  0.56 19.31 ? 103 TYR A CG  1 
ATOM   869  C CG  B TYR A 1 103 ? -5.064  -6.302  2.585  0.44 13.71 ? 103 TYR A CG  1 
ATOM   870  C CD1 A TYR A 1 103 ? -6.347  -2.579  3.518  0.56 7.80  ? 103 TYR A CD1 1 
ATOM   871  C CD1 B TYR A 1 103 ? -3.914  -7.047  2.335  0.44 8.42  ? 103 TYR A CD1 1 
ATOM   872  C CD2 A TYR A 1 103 ? -7.644  -4.551  3.137  0.56 28.34 ? 103 TYR A CD2 1 
ATOM   873  C CD2 B TYR A 1 103 ? -6.174  -6.967  3.085  0.44 20.82 ? 103 TYR A CD2 1 
ATOM   874  C CE1 A TYR A 1 103 ? -7.440  -1.965  4.107  0.56 10.25 ? 103 TYR A CE1 1 
ATOM   875  C CE1 B TYR A 1 103 ? -3.880  -8.408  2.547  0.44 10.86 ? 103 TYR A CE1 1 
ATOM   876  C CE2 A TYR A 1 103 ? -8.741  -3.948  3.720  0.56 28.65 ? 103 TYR A CE2 1 
ATOM   877  C CE2 B TYR A 1 103 ? -6.146  -8.337  3.311  0.44 19.05 ? 103 TYR A CE2 1 
ATOM   878  C CZ  A TYR A 1 103 ? -8.639  -2.661  4.205  0.56 22.34 ? 103 TYR A CZ  1 
ATOM   879  C CZ  B TYR A 1 103 ? -4.996  -9.051  3.037  0.44 10.87 ? 103 TYR A CZ  1 
ATOM   880  O OH  A TYR A 1 103 ? -9.752  -2.085  4.774  0.56 13.00 ? 103 TYR A OH  1 
ATOM   881  O OH  B TYR A 1 103 ? -4.958  -10.413 3.246  0.44 4.93  ? 103 TYR A OH  1 
ATOM   882  N N   . ALA A 1 104 ? -2.750  -4.013  0.323  1.00 18.16 ? 104 ALA A N   1 
ATOM   883  C CA  . ALA A 1 104 ? -1.470  -4.435  -0.236 1.00 17.51 ? 104 ALA A CA  1 
ATOM   884  C C   . ALA A 1 104 ? -0.730  -5.394  0.684  1.00 13.57 ? 104 ALA A C   1 
ATOM   885  O O   . ALA A 1 104 ? -0.014  -6.279  0.204  1.00 19.24 ? 104 ALA A O   1 
ATOM   886  C CB  . ALA A 1 104 ? -0.590  -3.218  -0.502 1.00 28.12 ? 104 ALA A CB  1 
ATOM   887  N N   . ALA A 1 105 ? -0.864  -5.209  1.994  1.00 5.82  ? 105 ALA A N   1 
ATOM   888  C CA  . ALA A 1 105 ? -0.187  -6.023  2.990  1.00 9.00  ? 105 ALA A CA  1 
ATOM   889  C C   . ALA A 1 105 ? -1.071  -6.109  4.223  1.00 9.83  ? 105 ALA A C   1 
ATOM   890  O O   . ALA A 1 105 ? -1.957  -5.280  4.432  1.00 30.13 ? 105 ALA A O   1 
ATOM   891  C CB  . ALA A 1 105 ? 1.188   -5.458  3.344  1.00 9.99  ? 105 ALA A CB  1 
ATOM   892  N N   . LYS A 1 106 ? -0.837  -7.138  5.022  1.00 10.45 ? 106 LYS A N   1 
ATOM   893  C CA  . LYS A 1 106 ? -1.553  -7.354  6.269  1.00 15.57 ? 106 LYS A CA  1 
ATOM   894  C C   . LYS A 1 106 ? -0.605  -8.021  7.258  1.00 16.38 ? 106 LYS A C   1 
ATOM   895  O O   . LYS A 1 106 ? 0.168   -8.899  6.868  1.00 30.54 ? 106 LYS A O   1 
ATOM   896  C CB  . LYS A 1 106 ? -2.790  -8.225  6.020  1.00 16.98 ? 106 LYS A CB  1 
ATOM   897  C CG  . LYS A 1 106 ? -3.676  -8.462  7.229  1.00 19.06 ? 106 LYS A CG  1 
ATOM   898  C CD  . LYS A 1 106 ? -4.822  -9.403  6.858  1.00 13.28 ? 106 LYS A CD  1 
ATOM   899  C CE  . LYS A 1 106 ? -5.588  -9.883  8.077  1.00 19.40 ? 106 LYS A CE  1 
ATOM   900  N NZ  . LYS A 1 106 ? -4.653  -10.345 9.155  1.00 12.45 ? 106 LYS A NZ  1 
ATOM   901  N N   . THR A 1 107 ? -0.699  -7.652  8.539  1.00 14.74 ? 107 THR A N   1 
ATOM   902  C CA  . THR A 1 107 ? 0.132   -8.274  9.564  1.00 19.78 ? 107 THR A CA  1 
ATOM   903  C C   . THR A 1 107 ? -0.746  -9.214  10.386 1.00 25.69 ? 107 THR A C   1 
ATOM   904  O O   . THR A 1 107 ? -1.955  -9.336  10.161 1.00 24.29 ? 107 THR A O   1 
ATOM   905  C CB  . THR A 1 107 ? 0.836   -7.239  10.477 1.00 9.42  ? 107 THR A CB  1 
ATOM   906  O OG1 . THR A 1 107 ? -0.109  -6.334  11.055 1.00 11.41 ? 107 THR A OG1 1 
ATOM   907  C CG2 . THR A 1 107 ? 1.901   -6.452  9.738  1.00 6.82  ? 107 THR A CG2 1 
ATOM   908  N N   . ASP A 1 108 ? -0.135  -9.858  11.372 1.00 23.41 ? 108 ASP A N   1 
ATOM   909  C CA  . ASP A 1 108 ? -0.807  -10.887 12.143 1.00 14.16 ? 108 ASP A CA  1 
ATOM   910  C C   . ASP A 1 108 ? -1.023  -10.491 13.590 1.00 17.61 ? 108 ASP A C   1 
ATOM   911  O O   . ASP A 1 108 ? -1.646  -11.252 14.339 1.00 26.30 ? 108 ASP A O   1 
ATOM   912  C CB  . ASP A 1 108 ? -0.028  -12.204 12.056 1.00 21.60 ? 108 ASP A CB  1 
ATOM   913  C CG  . ASP A 1 108 ? 0.046   -12.725 10.636 1.00 42.90 ? 108 ASP A CG  1 
ATOM   914  O OD1 . ASP A 1 108 ? -1.027  -12.926 10.024 1.00 36.41 ? 108 ASP A OD1 1 
ATOM   915  O OD2 . ASP A 1 108 ? 1.170   -12.919 10.124 1.00 55.11 ? 108 ASP A OD2 1 
ATOM   916  N N   . GLY A 1 109 ? -0.504  -9.343  14.005 1.00 17.59 ? 109 GLY A N   1 
ATOM   917  C CA  . GLY A 1 109 ? -0.756  -8.867  15.347 1.00 19.48 ? 109 GLY A CA  1 
ATOM   918  C C   . GLY A 1 109 ? 0.168   -7.720  15.683 1.00 14.54 ? 109 GLY A C   1 
ATOM   919  O O   . GLY A 1 109 ? 0.814   -7.151  14.808 1.00 17.90 ? 109 GLY A O   1 
ATOM   920  N N   . VAL A 1 110 ? 0.165   -7.349  16.962 1.00 14.48 ? 110 VAL A N   1 
ATOM   921  C CA  . VAL A 1 110 ? 0.962   -6.230  17.451 1.00 21.00 ? 110 VAL A CA  1 
ATOM   922  C C   . VAL A 1 110 ? 1.451   -6.579  18.855 1.00 7.81  ? 110 VAL A C   1 
ATOM   923  O O   . VAL A 1 110 ? 0.670   -7.065  19.678 1.00 26.75 ? 110 VAL A O   1 
ATOM   924  C CB  . VAL A 1 110 ? 0.158   -4.909  17.402 1.00 12.81 ? 110 VAL A CB  1 
ATOM   925  C CG1 . VAL A 1 110 ? -1.203  -5.086  18.029 1.00 13.14 ? 110 VAL A CG1 1 
ATOM   926  C CG2 . VAL A 1 110 ? 0.927   -3.752  18.052 1.00 7.58  ? 110 VAL A CG2 1 
ATOM   927  N N   . ARG A 1 111 ? 2.736   -6.359  19.128 1.00 18.29 ? 111 ARG A N   1 
ATOM   928  C CA  . ARG A 1 111 ? 3.312   -6.556  20.454 1.00 12.74 ? 111 ARG A CA  1 
ATOM   929  C C   . ARG A 1 111 ? 3.721   -5.222  21.068 1.00 13.91 ? 111 ARG A C   1 
ATOM   930  O O   . ARG A 1 111 ? 4.053   -4.263  20.361 1.00 13.79 ? 111 ARG A O   1 
ATOM   931  C CB  . ARG A 1 111 ? 4.561   -7.435  20.407 1.00 14.26 ? 111 ARG A CB  1 
ATOM   932  C CG  . ARG A 1 111 ? 4.389   -8.895  20.114 1.00 29.04 ? 111 ARG A CG  1 
ATOM   933  C CD  . ARG A 1 111 ? 3.282   -9.541  20.877 1.00 20.74 ? 111 ARG A CD  1 
ATOM   934  N NE  . ARG A 1 111 ? 2.729   -10.625 20.077 1.00 36.66 ? 111 ARG A NE  1 
ATOM   935  C CZ  . ARG A 1 111 ? 3.343   -11.780 19.863 1.00 50.33 ? 111 ARG A CZ  1 
ATOM   936  N NH1 . ARG A 1 111 ? 4.519   -12.051 20.410 1.00 31.98 ? 111 ARG A NH1 1 
ATOM   937  N NH2 . ARG A 1 111 ? 2.767   -12.683 19.075 1.00 61.79 ? 111 ARG A NH2 1 
ATOM   938  N N   . GLN A 1 112 ? 3.755   -5.188  22.403 1.00 11.89 ? 112 GLN A N   1 
ATOM   939  C CA  . GLN A 1 112 ? 4.373   -4.094  23.139 1.00 19.63 ? 112 GLN A CA  1 
ATOM   940  C C   . GLN A 1 112 ? 5.695   -4.554  23.750 1.00 17.22 ? 112 GLN A C   1 
ATOM   941  O O   . GLN A 1 112 ? 5.787   -5.659  24.290 1.00 30.35 ? 112 GLN A O   1 
ATOM   942  C CB  . GLN A 1 112 ? 3.454   -3.574  24.248 1.00 12.01 ? 112 GLN A CB  1 
ATOM   943  C CG  . GLN A 1 112 ? 4.009   -2.327  24.922 1.00 25.32 ? 112 GLN A CG  1 
ATOM   944  C CD  . GLN A 1 112 ? 3.081   -1.738  25.967 1.00 20.94 ? 112 GLN A CD  1 
ATOM   945  O OE1 . GLN A 1 112 ? 1.978   -2.235  26.189 1.00 30.92 ? 112 GLN A OE1 1 
ATOM   946  N NE2 . GLN A 1 112 ? 3.512   -0.643  26.588 1.00 16.44 ? 112 GLN A NE2 1 
ATOM   947  N N   . VAL A 1 113 ? 6.727   -3.711  23.635 1.00 18.56 ? 113 VAL A N   1 
ATOM   948  C CA  . VAL A 1 113 ? 7.967   -3.901  24.383 1.00 11.04 ? 113 VAL A CA  1 
ATOM   949  C C   . VAL A 1 113 ? 7.719   -3.580  25.854 1.00 11.20 ? 113 VAL A C   1 
ATOM   950  O O   . VAL A 1 113 ? 6.929   -2.681  26.178 1.00 17.01 ? 113 VAL A O   1 
ATOM   951  C CB  . VAL A 1 113 ? 9.068   -2.997  23.803 1.00 16.53 ? 113 VAL A CB  1 
ATOM   952  C CG1 . VAL A 1 113 ? 10.409  -3.230  24.499 1.00 14.71 ? 113 VAL A CG1 1 
ATOM   953  C CG2 . VAL A 1 113 ? 9.158   -3.154  22.297 1.00 6.71  ? 113 VAL A CG2 1 
ATOM   954  N N   A GLN A 1 114 ? 8.387   -4.311  26.753 0.61 17.34 ? 114 GLN A N   1 
ATOM   955  N N   B GLN A 1 114 ? 8.385   -4.308  26.749 0.39 17.25 ? 114 GLN A N   1 
ATOM   956  C CA  A GLN A 1 114 ? 8.307   -4.006  28.182 0.61 22.03 ? 114 GLN A CA  1 
ATOM   957  C CA  B GLN A 1 114 ? 8.290   -4.012  28.177 0.39 21.99 ? 114 GLN A CA  1 
ATOM   958  C C   A GLN A 1 114 ? 8.732   -2.562  28.415 0.61 20.84 ? 114 GLN A C   1 
ATOM   959  C C   B GLN A 1 114 ? 8.733   -2.573  28.426 0.39 20.81 ? 114 GLN A C   1 
ATOM   960  O O   A GLN A 1 114 ? 9.873   -2.203  28.084 0.61 21.80 ? 114 GLN A O   1 
ATOM   961  O O   B GLN A 1 114 ? 9.885   -2.229  28.121 0.39 21.77 ? 114 GLN A O   1 
ATOM   962  C CB  A GLN A 1 114 ? 9.181   -4.946  29.018 0.61 21.89 ? 114 GLN A CB  1 
ATOM   963  C CB  B GLN A 1 114 ? 9.148   -4.978  28.998 0.39 21.89 ? 114 GLN A CB  1 
ATOM   964  C CG  A GLN A 1 114 ? 8.622   -5.224  30.420 0.61 26.52 ? 114 GLN A CG  1 
ATOM   965  C CG  B GLN A 1 114 ? 8.988   -6.456  28.645 0.39 23.24 ? 114 GLN A CG  1 
ATOM   966  C CD  A GLN A 1 114 ? 9.615   -4.927  31.536 0.61 19.49 ? 114 GLN A CD  1 
ATOM   967  C CD  B GLN A 1 114 ? 7.751   -7.082  29.265 0.39 13.53 ? 114 GLN A CD  1 
ATOM   968  O OE1 A GLN A 1 114 ? 10.812  -4.806  31.299 0.61 28.09 ? 114 GLN A OE1 1 
ATOM   969  O OE1 B GLN A 1 114 ? 7.428   -6.824  30.423 0.39 28.96 ? 114 GLN A OE1 1 
ATOM   970  N NE2 A GLN A 1 114 ? 9.111   -4.782  32.753 0.61 29.93 ? 114 GLN A NE2 1 
ATOM   971  N NE2 B GLN A 1 114 ? 7.057   -7.912  28.496 0.39 16.49 ? 114 GLN A NE2 1 
ATOM   972  N N   . PRO A 1 115 ? 7.869   -1.706  28.952 1.00 10.67 ? 115 PRO A N   1 
ATOM   973  C CA  . PRO A 1 115 ? 8.233   -0.292  29.071 1.00 21.88 ? 115 PRO A CA  1 
ATOM   974  C C   . PRO A 1 115 ? 9.324   -0.069  30.104 1.00 18.71 ? 115 PRO A C   1 
ATOM   975  O O   . PRO A 1 115 ? 9.540   -0.872  31.013 1.00 33.35 ? 115 PRO A O   1 
ATOM   976  C CB  . PRO A 1 115 ? 6.919   0.386   29.485 1.00 17.87 ? 115 PRO A CB  1 
ATOM   977  C CG  . PRO A 1 115 ? 6.094   -0.699  30.086 1.00 13.15 ? 115 PRO A CG  1 
ATOM   978  C CD  . PRO A 1 115 ? 6.491   -1.976  29.392 1.00 17.37 ? 115 PRO A CD  1 
ATOM   979  N N   . TYR A 1 116 ? 10.009  1.063   29.952 1.00 17.16 ? 116 TYR A N   1 
ATOM   980  C CA  . TYR A 1 116 ? 11.003  1.522   30.910 1.00 10.80 ? 116 TYR A CA  1 
ATOM   981  C C   . TYR A 1 116 ? 12.118  0.490   31.055 1.00 18.36 ? 116 TYR A C   1 
ATOM   982  O O   . TYR A 1 116 ? 12.655  0.265   32.142 1.00 35.01 ? 116 TYR A O   1 
ATOM   983  C CB  . TYR A 1 116 ? 10.376  1.910   32.251 1.00 15.03 ? 116 TYR A CB  1 
ATOM   984  C CG  . TYR A 1 116 ? 9.212   2.876   32.088 1.00 26.05 ? 116 TYR A CG  1 
ATOM   985  C CD1 . TYR A 1 116 ? 9.409   4.118   31.494 1.00 30.39 ? 116 TYR A CD1 1 
ATOM   986  C CD2 . TYR A 1 116 ? 7.938   2.558   32.528 1.00 22.05 ? 116 TYR A CD2 1 
ATOM   987  C CE1 . TYR A 1 116 ? 8.357   5.012   31.329 1.00 27.22 ? 116 TYR A CE1 1 
ATOM   988  C CE2 . TYR A 1 116 ? 6.883   3.448   32.374 1.00 29.42 ? 116 TYR A CE2 1 
ATOM   989  C CZ  . TYR A 1 116 ? 7.100   4.674   31.775 1.00 19.24 ? 116 TYR A CZ  1 
ATOM   990  O OH  . TYR A 1 116 ? 6.063   5.573   31.613 1.00 26.45 ? 116 TYR A OH  1 
ATOM   991  N N   . ASN A 1 117 ? 12.502  -0.101  29.928 1.00 16.23 ? 117 ASN A N   1 
ATOM   992  C CA  . ASN A 1 117 ? 13.460  -1.205  29.902 1.00 21.35 ? 117 ASN A CA  1 
ATOM   993  C C   . ASN A 1 117 ? 14.263  -1.062  28.618 1.00 17.34 ? 117 ASN A C   1 
ATOM   994  O O   . ASN A 1 117 ? 13.766  -1.376  27.532 1.00 19.59 ? 117 ASN A O   1 
ATOM   995  C CB  . ASN A 1 117 ? 12.771  -2.562  29.966 1.00 25.72 ? 117 ASN A CB  1 
ATOM   996  C CG  . ASN A 1 117 ? 13.762  -3.719  30.060 1.00 20.92 ? 117 ASN A CG  1 
ATOM   997  O OD1 . ASN A 1 117 ? 14.848  -3.672  29.492 1.00 21.00 ? 117 ASN A OD1 1 
ATOM   998  N ND2 . ASN A 1 117 ? 13.375  -4.770  30.761 1.00 36.72 ? 117 ASN A ND2 1 
ATOM   999  N N   . GLU A 1 118 ? 15.486  -0.559  28.753 1.00 14.40 ? 118 GLU A N   1 
ATOM   1000 C CA  . GLU A 1 118 ? 16.307  -0.285  27.584 1.00 12.20 ? 118 GLU A CA  1 
ATOM   1001 C C   . GLU A 1 118 ? 16.620  -1.561  26.814 1.00 7.47  ? 118 GLU A C   1 
ATOM   1002 O O   . GLU A 1 118 ? 16.438  -1.621  25.592 1.00 24.86 ? 118 GLU A O   1 
ATOM   1003 C CB  . GLU A 1 118 ? 17.588  0.420   28.015 1.00 13.28 ? 118 GLU A CB  1 
ATOM   1004 C CG  . GLU A 1 118 ? 18.548  0.678   26.889 1.00 9.72  ? 118 GLU A CG  1 
ATOM   1005 C CD  . GLU A 1 118 ? 19.688  1.582   27.301 1.00 36.60 ? 118 GLU A CD  1 
ATOM   1006 O OE1 . GLU A 1 118 ? 19.416  2.710   27.782 1.00 20.23 ? 118 GLU A OE1 1 
ATOM   1007 O OE2 . GLU A 1 118 ? 20.853  1.139   27.189 1.00 10.90 ? 118 GLU A OE2 1 
ATOM   1008 N N   . GLY A 1 119 ? 17.050  -2.606  27.518 1.00 9.39  ? 119 GLY A N   1 
ATOM   1009 C CA  . GLY A 1 119 ? 17.433  -3.838  26.842 1.00 3.97  ? 119 GLY A CA  1 
ATOM   1010 C C   . GLY A 1 119 ? 16.301  -4.490  26.080 1.00 4.79  ? 119 GLY A C   1 
ATOM   1011 O O   . GLY A 1 119 ? 16.515  -5.063  25.011 1.00 14.88 ? 119 GLY A O   1 
ATOM   1012 N N   . ALA A 1 120 ? 15.079  -4.412  26.609 1.00 5.84  ? 120 ALA A N   1 
ATOM   1013 C CA  . ALA A 1 120 ? 13.937  -4.991  25.900 1.00 12.38 ? 120 ALA A CA  1 
ATOM   1014 C C   . ALA A 1 120 ? 13.725  -4.279  24.568 1.00 17.26 ? 120 ALA A C   1 
ATOM   1015 O O   . ALA A 1 120 ? 13.422  -4.912  23.543 1.00 11.08 ? 120 ALA A O   1 
ATOM   1016 C CB  . ALA A 1 120 ? 12.681  -4.920  26.771 1.00 11.72 ? 120 ALA A CB  1 
ATOM   1017 N N   . LEU A 1 121 ? 13.901  -2.955  24.562 1.00 17.29 ? 121 LEU A N   1 
ATOM   1018 C CA  . LEU A 1 121 ? 13.761  -2.202  23.325 1.00 11.27 ? 121 LEU A CA  1 
ATOM   1019 C C   . LEU A 1 121 ? 14.897  -2.539  22.369 1.00 6.51  ? 121 LEU A C   1 
ATOM   1020 O O   . LEU A 1 121 ? 14.674  -2.686  21.164 1.00 11.96 ? 121 LEU A O   1 
ATOM   1021 C CB  . LEU A 1 121 ? 13.726  -0.698  23.604 1.00 10.23 ? 121 LEU A CB  1 
ATOM   1022 C CG  . LEU A 1 121 ? 13.672  0.230   22.378 1.00 10.18 ? 121 LEU A CG  1 
ATOM   1023 C CD1 . LEU A 1 121 ? 12.420  -0.016  21.502 1.00 15.23 ? 121 LEU A CD1 1 
ATOM   1024 C CD2 . LEU A 1 121 ? 13.746  1.702   22.801 1.00 13.50 ? 121 LEU A CD2 1 
ATOM   1025 N N   . LEU A 1 122 ? 16.128  -2.652  22.881 1.00 12.30 ? 122 LEU A N   1 
ATOM   1026 C CA  . LEU A 1 122 ? 17.224  -3.043  22.000 1.00 9.71  ? 122 LEU A CA  1 
ATOM   1027 C C   . LEU A 1 122 ? 16.948  -4.405  21.374 1.00 8.65  ? 122 LEU A C   1 
ATOM   1028 O O   . LEU A 1 122 ? 17.215  -4.604  20.185 1.00 11.15 ? 122 LEU A O   1 
ATOM   1029 C CB  . LEU A 1 122 ? 18.557  -3.039  22.743 1.00 5.00  ? 122 LEU A CB  1 
ATOM   1030 C CG  . LEU A 1 122 ? 19.004  -1.698  23.334 1.00 4.98  ? 122 LEU A CG  1 
ATOM   1031 C CD1 . LEU A 1 122 ? 20.294  -1.882  24.087 1.00 21.91 ? 122 LEU A CD1 1 
ATOM   1032 C CD2 . LEU A 1 122 ? 19.163  -0.654  22.255 1.00 4.18  ? 122 LEU A CD2 1 
ATOM   1033 N N   . TYR A 1 123 ? 16.417  -5.355  22.154 1.00 3.39  ? 123 TYR A N   1 
ATOM   1034 C CA  . TYR A 1 123 ? 16.073  -6.667  21.599 1.00 6.53  ? 123 TYR A CA  1 
ATOM   1035 C C   . TYR A 1 123 ? 15.058  -6.518  20.467 1.00 9.38  ? 123 TYR A C   1 
ATOM   1036 O O   . TYR A 1 123 ? 15.230  -7.067  19.364 1.00 4.63  ? 123 TYR A O   1 
ATOM   1037 C CB  . TYR A 1 123 ? 15.511  -7.575  22.701 1.00 10.86 ? 123 TYR A CB  1 
ATOM   1038 C CG  . TYR A 1 123 ? 15.135  -8.973  22.236 1.00 11.54 ? 123 TYR A CG  1 
ATOM   1039 C CD1 . TYR A 1 123 ? 16.088  -9.990  22.148 1.00 20.44 ? 123 TYR A CD1 1 
ATOM   1040 C CD2 . TYR A 1 123 ? 13.822  -9.274  21.873 1.00 21.02 ? 123 TYR A CD2 1 
ATOM   1041 C CE1 . TYR A 1 123 ? 15.737  -11.267 21.713 1.00 29.92 ? 123 TYR A CE1 1 
ATOM   1042 C CE2 . TYR A 1 123 ? 13.463  -10.540 21.434 1.00 27.72 ? 123 TYR A CE2 1 
ATOM   1043 C CZ  . TYR A 1 123 ? 14.420  -11.534 21.358 1.00 53.43 ? 123 TYR A CZ  1 
ATOM   1044 O OH  . TYR A 1 123 ? 14.049  -12.791 20.922 1.00 46.34 ? 123 TYR A OH  1 
ATOM   1045 N N   . SER A 1 124 ? 13.999  -5.745  20.721 1.00 6.11  ? 124 SER A N   1 
ATOM   1046 C CA  . SER A 1 124 ? 12.961  -5.570  19.713 1.00 10.02 ? 124 SER A CA  1 
ATOM   1047 C C   . SER A 1 124 ? 13.515  -4.943  18.440 1.00 12.50 ? 124 SER A C   1 
ATOM   1048 O O   . SER A 1 124 ? 13.185  -5.378  17.330 1.00 14.10 ? 124 SER A O   1 
ATOM   1049 C CB  . SER A 1 124 ? 11.844  -4.725  20.291 1.00 9.71  ? 124 SER A CB  1 
ATOM   1050 O OG  . SER A 1 124 ? 11.045  -5.540  21.122 1.00 14.48 ? 124 SER A OG  1 
ATOM   1051 N N   . ILE A 1 125 ? 14.373  -3.931  18.581 1.00 11.23 ? 125 ILE A N   1 
ATOM   1052 C CA  . ILE A 1 125 ? 14.967  -3.277  17.415 1.00 13.01 ? 125 ILE A CA  1 
ATOM   1053 C C   . ILE A 1 125 ? 15.909  -4.221  16.686 1.00 19.60 ? 125 ILE A C   1 
ATOM   1054 O O   . ILE A 1 125 ? 16.022  -4.173  15.454 1.00 25.46 ? 125 ILE A O   1 
ATOM   1055 C CB  . ILE A 1 125 ? 15.728  -2.011  17.847 1.00 18.09 ? 125 ILE A CB  1 
ATOM   1056 C CG1 . ILE A 1 125 ? 14.799  -0.992  18.516 1.00 14.97 ? 125 ILE A CG1 1 
ATOM   1057 C CG2 . ILE A 1 125 ? 16.446  -1.415  16.663 1.00 11.82 ? 125 ILE A CG2 1 
ATOM   1058 C CD1 . ILE A 1 125 ? 15.568  0.090   19.222 1.00 5.87  ? 125 ILE A CD1 1 
ATOM   1059 N N   . ALA A 1 126 ? 16.617  -5.080  17.425 1.00 11.48 ? 126 ALA A N   1 
ATOM   1060 C CA  . ALA A 1 126 ? 17.459  -6.070  16.775 1.00 6.98  ? 126 ALA A CA  1 
ATOM   1061 C C   . ALA A 1 126 ? 16.620  -6.986  15.907 1.00 12.39 ? 126 ALA A C   1 
ATOM   1062 O O   . ALA A 1 126 ? 17.093  -7.482  14.876 1.00 8.30  ? 126 ALA A O   1 
ATOM   1063 C CB  . ALA A 1 126 ? 18.231  -6.868  17.814 1.00 7.90  ? 126 ALA A CB  1 
ATOM   1064 N N   . ASN A 1 127 ? 15.363  -7.200  16.298 1.00 10.93 ? 127 ASN A N   1 
ATOM   1065 C CA  . ASN A 1 127 ? 14.470  -8.003  15.470 1.00 21.56 ? 127 ASN A CA  1 
ATOM   1066 C C   . ASN A 1 127 ? 13.855  -7.218  14.312 1.00 18.96 ? 127 ASN A C   1 
ATOM   1067 O O   . ASN A 1 127 ? 13.584  -7.806  13.258 1.00 15.03 ? 127 ASN A O   1 
ATOM   1068 C CB  . ASN A 1 127 ? 13.372  -8.604  16.339 1.00 13.79 ? 127 ASN A CB  1 
ATOM   1069 C CG  . ASN A 1 127 ? 13.852  -9.811  17.099 1.00 21.20 ? 127 ASN A CG  1 
ATOM   1070 O OD1 . ASN A 1 127 ? 13.890  -9.813  18.327 1.00 23.10 ? 127 ASN A OD1 1 
ATOM   1071 N ND2 . ASN A 1 127 ? 14.252  -10.846 16.367 1.00 34.11 ? 127 ASN A ND2 1 
ATOM   1072 N N   . GLN A 1 128 ? 13.652  -5.898  14.462 1.00 13.96 ? 128 GLN A N   1 
ATOM   1073 C CA  . GLN A 1 128 ? 12.847  -5.156  13.491 1.00 13.42 ? 128 GLN A CA  1 
ATOM   1074 C C   . GLN A 1 128 ? 12.705  -3.701  13.916 1.00 14.32 ? 128 GLN A C   1 
ATOM   1075 O O   . GLN A 1 128 ? 12.963  -3.376  15.080 1.00 9.39  ? 128 GLN A O   1 
ATOM   1076 C CB  . GLN A 1 128 ? 11.455  -5.778  13.337 1.00 11.20 ? 128 GLN A CB  1 
ATOM   1077 C CG  . GLN A 1 128 ? 10.598  -5.611  14.568 1.00 18.02 ? 128 GLN A CG  1 
ATOM   1078 C CD  . GLN A 1 128 ? 9.442   -6.562  14.590 1.00 15.19 ? 128 GLN A CD  1 
ATOM   1079 O OE1 . GLN A 1 128 ? 9.464   -7.565  15.310 1.00 19.36 ? 128 GLN A OE1 1 
ATOM   1080 N NE2 . GLN A 1 128 ? 8.424   -6.273  13.792 1.00 27.28 ? 128 GLN A NE2 1 
ATOM   1081 N N   . PRO A 1 129 ? 12.334  -2.794  13.005 1.00 19.22 ? 129 PRO A N   1 
ATOM   1082 C CA  . PRO A 1 129 ? 11.985  -1.429  13.426 1.00 11.03 ? 129 PRO A CA  1 
ATOM   1083 C C   . PRO A 1 129 ? 10.804  -1.419  14.389 1.00 7.84  ? 129 PRO A C   1 
ATOM   1084 O O   . PRO A 1 129 ? 9.882   -2.228  14.288 1.00 8.12  ? 129 PRO A O   1 
ATOM   1085 C CB  . PRO A 1 129 ? 11.633  -0.734  12.107 1.00 1.95  ? 129 PRO A CB  1 
ATOM   1086 C CG  . PRO A 1 129 ? 12.419  -1.479  11.095 1.00 20.69 ? 129 PRO A CG  1 
ATOM   1087 C CD  . PRO A 1 129 ? 12.400  -2.906  11.540 1.00 6.66  ? 129 PRO A CD  1 
ATOM   1088 N N   . VAL A 1 130 ? 10.846  -0.494  15.341 1.00 13.69 ? 130 VAL A N   1 
ATOM   1089 C CA  . VAL A 1 130 ? 9.898   -0.463  16.445 1.00 15.82 ? 130 VAL A CA  1 
ATOM   1090 C C   . VAL A 1 130 ? 9.274   0.925   16.495 1.00 13.69 ? 130 VAL A C   1 
ATOM   1091 O O   . VAL A 1 130 ? 9.947   1.929   16.254 1.00 17.17 ? 130 VAL A O   1 
ATOM   1092 C CB  . VAL A 1 130 ? 10.592  -0.821  17.787 1.00 11.17 ? 130 VAL A CB  1 
ATOM   1093 C CG1 . VAL A 1 130 ? 9.640   -0.715  18.978 1.00 5.45  ? 130 VAL A CG1 1 
ATOM   1094 C CG2 . VAL A 1 130 ? 11.193  -2.203  17.715 1.00 12.11 ? 130 VAL A CG2 1 
ATOM   1095 N N   . SER A 1 131 ? 7.986   0.985   16.783 1.00 10.79 ? 131 SER A N   1 
ATOM   1096 C CA  . SER A 1 131 ? 7.332   2.266   17.004 1.00 10.00 ? 131 SER A CA  1 
ATOM   1097 C C   . SER A 1 131 ? 7.626   2.705   18.428 1.00 7.08  ? 131 SER A C   1 
ATOM   1098 O O   . SER A 1 131 ? 7.435   1.929   19.367 1.00 21.16 ? 131 SER A O   1 
ATOM   1099 C CB  . SER A 1 131 ? 5.826   2.133   16.770 1.00 12.69 ? 131 SER A CB  1 
ATOM   1100 O OG  . SER A 1 131 ? 5.108   3.244   17.247 1.00 14.60 ? 131 SER A OG  1 
ATOM   1101 N N   . VAL A 1 132 ? 8.141   3.925   18.595 1.00 12.46 ? 132 VAL A N   1 
ATOM   1102 C CA  . VAL A 1 132 ? 8.483   4.433   19.921 1.00 25.52 ? 132 VAL A CA  1 
ATOM   1103 C C   . VAL A 1 132 ? 7.927   5.841   20.073 1.00 23.16 ? 132 VAL A C   1 
ATOM   1104 O O   . VAL A 1 132 ? 7.550   6.496   19.101 1.00 23.41 ? 132 VAL A O   1 
ATOM   1105 C CB  . VAL A 1 132 ? 10.010  4.433   20.191 1.00 8.60  ? 132 VAL A CB  1 
ATOM   1106 C CG1 . VAL A 1 132 ? 10.567  3.025   20.111 1.00 15.77 ? 132 VAL A CG1 1 
ATOM   1107 C CG2 . VAL A 1 132 ? 10.726  5.331   19.199 1.00 6.63  ? 132 VAL A CG2 1 
ATOM   1108 N N   . VAL A 1 133 ? 7.870   6.307   21.318 1.00 23.61 ? 133 VAL A N   1 
ATOM   1109 C CA  . VAL A 1 133 ? 7.406   7.657   21.586 1.00 18.29 ? 133 VAL A CA  1 
ATOM   1110 C C   . VAL A 1 133 ? 8.500   8.377   22.351 1.00 24.99 ? 133 VAL A C   1 
ATOM   1111 O O   . VAL A 1 133 ? 9.358   7.772   22.998 1.00 13.50 ? 133 VAL A O   1 
ATOM   1112 C CB  . VAL A 1 133 ? 6.083   7.696   22.378 1.00 18.04 ? 133 VAL A CB  1 
ATOM   1113 C CG1 . VAL A 1 133 ? 4.970   7.037   21.586 1.00 19.14 ? 133 VAL A CG1 1 
ATOM   1114 C CG2 . VAL A 1 133 ? 6.248   7.018   23.719 1.00 18.22 ? 133 VAL A CG2 1 
ATOM   1115 N N   . LEU A 1 134 ? 8.444   9.694   22.280 1.00 26.01 ? 134 LEU A N   1 
ATOM   1116 C CA  . LEU A 1 134 ? 9.416   10.544  22.940 1.00 16.93 ? 134 LEU A CA  1 
ATOM   1117 C C   . LEU A 1 134 ? 8.810   11.925  23.103 1.00 23.32 ? 134 LEU A C   1 
ATOM   1118 O O   . LEU A 1 134 ? 7.718   12.219  22.599 1.00 20.13 ? 134 LEU A O   1 
ATOM   1119 C CB  . LEU A 1 134 ? 10.750  10.573  22.185 1.00 11.79 ? 134 LEU A CB  1 
ATOM   1120 C CG  . LEU A 1 134 ? 10.778  10.861  20.678 1.00 16.90 ? 134 LEU A CG  1 
ATOM   1121 C CD1 . LEU A 1 134 ? 10.467  12.285  20.331 1.00 12.43 ? 134 LEU A CD1 1 
ATOM   1122 C CD2 . LEU A 1 134 ? 12.144  10.492  20.147 1.00 6.78  ? 134 LEU A CD2 1 
ATOM   1123 N N   . GLU A 1 135 ? 9.514   12.739  23.881 1.00 16.46 ? 135 GLU A N   1 
ATOM   1124 C CA  . GLU A 1 135 ? 9.211   14.151  24.061 1.00 13.32 ? 135 GLU A CA  1 
ATOM   1125 C C   . GLU A 1 135 ? 9.878   14.965  22.964 1.00 17.43 ? 135 GLU A C   1 
ATOM   1126 O O   . GLU A 1 135 ? 11.099  15.131  22.961 1.00 17.02 ? 135 GLU A O   1 
ATOM   1127 C CB  . GLU A 1 135 ? 9.729   14.663  25.397 1.00 28.63 ? 135 GLU A CB  1 
ATOM   1128 C CG  . GLU A 1 135 ? 9.364   16.118  25.573 1.00 15.75 ? 135 GLU A CG  1 
ATOM   1129 C CD  . GLU A 1 135 ? 10.148  16.798  26.669 1.00 36.18 ? 135 GLU A CD  1 
ATOM   1130 O OE1 . GLU A 1 135 ? 10.965  17.697  26.348 1.00 32.24 ? 135 GLU A OE1 1 
ATOM   1131 O OE2 . GLU A 1 135 ? 9.921   16.459  27.845 1.00 37.44 ? 135 GLU A OE2 1 
ATOM   1132 N N   . ALA A 1 136 ? 9.084   15.517  22.062 1.00 14.76 ? 136 ALA A N   1 
ATOM   1133 C CA  . ALA A 1 136 ? 9.647   16.327  21.005 1.00 14.04 ? 136 ALA A CA  1 
ATOM   1134 C C   . ALA A 1 136 ? 9.377   17.814  21.204 1.00 12.71 ? 136 ALA A C   1 
ATOM   1135 O O   . ALA A 1 136 ? 9.824   18.621  20.386 1.00 30.94 ? 136 ALA A O   1 
ATOM   1136 C CB  . ALA A 1 136 ? 9.102   15.873  19.647 1.00 17.28 ? 136 ALA A CB  1 
ATOM   1137 N N   . ALA A 1 137 ? 8.693   18.207  22.281 1.00 11.43 ? 137 ALA A N   1 
ATOM   1138 C CA  . ALA A 1 137 ? 8.295   19.609  22.406 1.00 17.80 ? 137 ALA A CA  1 
ATOM   1139 C C   . ALA A 1 137 ? 9.471   20.520  22.723 1.00 30.37 ? 137 ALA A C   1 
ATOM   1140 O O   . ALA A 1 137 ? 9.449   21.701  22.359 1.00 19.49 ? 137 ALA A O   1 
ATOM   1141 C CB  . ALA A 1 137 ? 7.247   19.770  23.496 1.00 12.15 ? 137 ALA A CB  1 
ATOM   1142 N N   . GLY A 1 138 ? 10.519  19.990  23.347 1.00 11.11 ? 138 GLY A N   1 
ATOM   1143 C CA  . GLY A 1 138 ? 11.639  20.830  23.724 1.00 15.72 ? 138 GLY A CA  1 
ATOM   1144 C C   . GLY A 1 138 ? 12.372  21.356  22.505 1.00 22.95 ? 138 GLY A C   1 
ATOM   1145 O O   . GLY A 1 138 ? 12.624  20.631  21.541 1.00 30.98 ? 138 GLY A O   1 
ATOM   1146 N N   . LYS A 1 139 ? 12.709  22.645  22.550 1.00 14.55 ? 139 LYS A N   1 
ATOM   1147 C CA  . LYS A 1 139 ? 13.402  23.281  21.437 1.00 23.83 ? 139 LYS A CA  1 
ATOM   1148 C C   . LYS A 1 139 ? 14.759  22.638  21.165 1.00 22.94 ? 139 LYS A C   1 
ATOM   1149 O O   . LYS A 1 139 ? 15.256  22.712  20.037 1.00 20.18 ? 139 LYS A O   1 
ATOM   1150 C CB  . LYS A 1 139 ? 13.563  24.777  21.725 1.00 9.19  ? 139 LYS A CB  1 
ATOM   1151 C CG  . LYS A 1 139 ? 13.528  25.650  20.500 1.00 28.05 ? 139 LYS A CG  1 
ATOM   1152 C CD  . LYS A 1 139 ? 13.347  27.117  20.890 1.00 71.91 ? 139 LYS A CD  1 
ATOM   1153 C CE  . LYS A 1 139 ? 14.622  27.931  20.660 1.00 56.41 ? 139 LYS A CE  1 
ATOM   1154 N NZ  . LYS A 1 139 ? 14.550  29.270  21.318 1.00 50.34 ? 139 LYS A NZ  1 
ATOM   1155 N N   . ASP A 1 140 ? 15.371  22.003  22.164 1.00 13.88 ? 140 ASP A N   1 
ATOM   1156 C CA  . ASP A 1 140 ? 16.615  21.295  21.900 1.00 19.96 ? 140 ASP A CA  1 
ATOM   1157 C C   . ASP A 1 140 ? 16.380  20.164  20.913 1.00 16.22 ? 140 ASP A C   1 
ATOM   1158 O O   . ASP A 1 140 ? 17.202  19.927  20.019 1.00 17.98 ? 140 ASP A O   1 
ATOM   1159 C CB  . ASP A 1 140 ? 17.178  20.748  23.208 1.00 16.96 ? 140 ASP A CB  1 
ATOM   1160 C CG  . ASP A 1 140 ? 17.632  21.836  24.137 1.00 17.34 ? 140 ASP A CG  1 
ATOM   1161 O OD1 . ASP A 1 140 ? 18.761  22.339  23.966 1.00 27.42 ? 140 ASP A OD1 1 
ATOM   1162 O OD2 . ASP A 1 140 ? 16.854  22.183  25.049 1.00 20.03 ? 140 ASP A OD2 1 
ATOM   1163 N N   . PHE A 1 141 ? 15.284  19.420  21.097 1.00 27.49 ? 141 PHE A N   1 
ATOM   1164 C CA  . PHE A 1 141 ? 14.905  18.387  20.140 1.00 9.46  ? 141 PHE A CA  1 
ATOM   1165 C C   . PHE A 1 141 ? 14.421  18.965  18.825 1.00 16.01 ? 141 PHE A C   1 
ATOM   1166 O O   . PHE A 1 141 ? 14.812  18.483  17.752 1.00 22.71 ? 141 PHE A O   1 
ATOM   1167 C CB  . PHE A 1 141 ? 13.802  17.507  20.724 1.00 17.28 ? 141 PHE A CB  1 
ATOM   1168 C CG  . PHE A 1 141 ? 13.453  16.338  19.855 1.00 10.98 ? 141 PHE A CG  1 
ATOM   1169 C CD1 . PHE A 1 141 ? 12.549  16.490  18.808 1.00 9.08  ? 141 PHE A CD1 1 
ATOM   1170 C CD2 . PHE A 1 141 ? 14.052  15.103  20.053 1.00 11.88 ? 141 PHE A CD2 1 
ATOM   1171 C CE1 . PHE A 1 141 ? 12.225  15.418  17.994 1.00 19.46 ? 141 PHE A CE1 1 
ATOM   1172 C CE2 . PHE A 1 141 ? 13.729  14.018  19.240 1.00 26.29 ? 141 PHE A CE2 1 
ATOM   1173 C CZ  . PHE A 1 141 ? 12.817  14.177  18.209 1.00 15.41 ? 141 PHE A CZ  1 
ATOM   1174 N N   . GLN A 1 142 ? 13.585  20.012  18.894 1.00 8.66  ? 142 GLN A N   1 
ATOM   1175 C CA  . GLN A 1 142 ? 13.036  20.592  17.676 1.00 17.09 ? 142 GLN A CA  1 
ATOM   1176 C C   . GLN A 1 142 ? 14.156  21.077  16.772 1.00 18.23 ? 142 GLN A C   1 
ATOM   1177 O O   . GLN A 1 142 ? 14.086  20.937  15.545 1.00 30.11 ? 142 GLN A O   1 
ATOM   1178 C CB  . GLN A 1 142 ? 12.058  21.736  18.001 1.00 9.23  ? 142 GLN A CB  1 
ATOM   1179 C CG  . GLN A 1 142 ? 10.859  21.300  18.843 1.00 30.45 ? 142 GLN A CG  1 
ATOM   1180 C CD  . GLN A 1 142 ? 9.632   20.956  18.010 1.00 32.23 ? 142 GLN A CD  1 
ATOM   1181 O OE1 . GLN A 1 142 ? 8.850   20.081  18.365 1.00 37.49 ? 142 GLN A OE1 1 
ATOM   1182 N NE2 . GLN A 1 142 ? 9.470   21.642  16.884 1.00 47.10 ? 142 GLN A NE2 1 
ATOM   1183 N N   . LEU A 1 143 ? 15.210  21.626  17.366 1.00 14.65 ? 143 LEU A N   1 
ATOM   1184 C CA  . LEU A 1 143 ? 16.301  22.254  16.638 1.00 29.69 ? 143 LEU A CA  1 
ATOM   1185 C C   . LEU A 1 143 ? 17.475  21.309  16.393 1.00 20.90 ? 143 LEU A C   1 
ATOM   1186 O O   . LEU A 1 143 ? 18.513  21.758  15.898 1.00 27.58 ? 143 LEU A O   1 
ATOM   1187 C CB  . LEU A 1 143 ? 16.772  23.502  17.385 1.00 26.48 ? 143 LEU A CB  1 
ATOM   1188 C CG  . LEU A 1 143 ? 15.758  24.649  17.411 1.00 27.13 ? 143 LEU A CG  1 
ATOM   1189 C CD1 . LEU A 1 143 ? 16.308  25.837  18.194 1.00 24.89 ? 143 LEU A CD1 1 
ATOM   1190 C CD2 . LEU A 1 143 ? 15.346  25.058  16.013 1.00 12.68 ? 143 LEU A CD2 1 
ATOM   1191 N N   . TYR A 1 144 ? 17.345  20.026  16.748 1.00 14.90 ? 144 TYR A N   1 
ATOM   1192 C CA  . TYR A 1 144 ? 18.441  19.064  16.609 1.00 15.67 ? 144 TYR A CA  1 
ATOM   1193 C C   . TYR A 1 144 ? 18.955  19.051  15.177 1.00 8.99  ? 144 TYR A C   1 
ATOM   1194 O O   . TYR A 1 144 ? 18.178  18.913  14.228 1.00 31.10 ? 144 TYR A O   1 
ATOM   1195 C CB  . TYR A 1 144 ? 17.944  17.668  16.985 1.00 15.22 ? 144 TYR A CB  1 
ATOM   1196 C CG  . TYR A 1 144 ? 18.867  16.515  16.605 1.00 32.15 ? 144 TYR A CG  1 
ATOM   1197 C CD1 . TYR A 1 144 ? 19.952  16.148  17.408 1.00 13.53 ? 144 TYR A CD1 1 
ATOM   1198 C CD2 . TYR A 1 144 ? 18.669  15.815  15.417 1.00 8.15  ? 144 TYR A CD2 1 
ATOM   1199 C CE1 . TYR A 1 144 ? 20.774  15.099  17.048 1.00 14.29 ? 144 TYR A CE1 1 
ATOM   1200 C CE2 . TYR A 1 144 ? 19.486  14.764  15.052 1.00 10.88 ? 144 TYR A CE2 1 
ATOM   1201 C CZ  . TYR A 1 144 ? 20.532  14.410  15.867 1.00 13.61 ? 144 TYR A CZ  1 
ATOM   1202 O OH  . TYR A 1 144 ? 21.334  13.366  15.498 1.00 15.49 ? 144 TYR A OH  1 
ATOM   1203 N N   . ARG A 1 145 ? 20.273  19.125  15.021 1.00 12.29 ? 145 ARG A N   1 
ATOM   1204 C CA  . ARG A 1 145 ? 20.868  19.079  13.692 1.00 27.27 ? 145 ARG A CA  1 
ATOM   1205 C C   . ARG A 1 145 ? 21.679  17.826  13.418 1.00 25.94 ? 145 ARG A C   1 
ATOM   1206 O O   . ARG A 1 145 ? 21.778  17.407  12.261 1.00 17.64 ? 145 ARG A O   1 
ATOM   1207 C CB  . ARG A 1 145 ? 21.770  20.301  13.473 1.00 27.81 ? 145 ARG A CB  1 
ATOM   1208 C CG  . ARG A 1 145 ? 21.058  21.507  12.877 1.00 49.73 ? 145 ARG A CG  1 
ATOM   1209 C CD  . ARG A 1 145 ? 20.817  22.594  13.918 1.00 81.19 ? 145 ARG A CD  1 
ATOM   1210 N NE  . ARG A 1 145 ? 21.971  23.463  14.125 1.00 80.13 ? 145 ARG A NE  1 
ATOM   1211 C CZ  . ARG A 1 145 ? 22.370  23.907  15.311 1.00 65.16 ? 145 ARG A CZ  1 
ATOM   1212 N NH1 . ARG A 1 145 ? 21.726  23.585  16.422 1.00 67.78 ? 145 ARG A NH1 1 
ATOM   1213 N NH2 . ARG A 1 145 ? 23.436  24.699  15.383 1.00 43.45 ? 145 ARG A NH2 1 
ATOM   1214 N N   . GLY A 1 146 ? 22.218  17.195  14.444 1.00 13.99 ? 146 GLY A N   1 
ATOM   1215 C CA  . GLY A 1 146 ? 23.022  16.013  14.230 1.00 12.37 ? 146 GLY A CA  1 
ATOM   1216 C C   . GLY A 1 146 ? 23.802  15.705  15.479 1.00 17.56 ? 146 GLY A C   1 
ATOM   1217 O O   . GLY A 1 146 ? 23.812  16.469  16.449 1.00 10.55 ? 146 GLY A O   1 
ATOM   1218 N N   . GLY A 1 147 ? 24.401  14.531  15.464 1.00 20.66 ? 147 GLY A N   1 
ATOM   1219 C CA  . GLY A 1 147 ? 25.138  14.045  16.605 1.00 17.57 ? 147 GLY A CA  1 
ATOM   1220 C C   . GLY A 1 147 ? 24.254  13.170  17.450 1.00 16.98 ? 147 GLY A C   1 
ATOM   1221 O O   . GLY A 1 147 ? 23.067  12.964  17.181 1.00 13.24 ? 147 GLY A O   1 
ATOM   1222 N N   . ILE A 1 148 ? 24.834  12.655  18.520 1.00 25.65 ? 148 ILE A N   1 
ATOM   1223 C CA  . ILE A 1 148 ? 24.080  11.841  19.457 1.00 18.10 ? 148 ILE A CA  1 
ATOM   1224 C C   . ILE A 1 148 ? 23.389  12.763  20.453 1.00 8.41  ? 148 ILE A C   1 
ATOM   1225 O O   . ILE A 1 148 ? 24.035  13.392  21.291 1.00 21.46 ? 148 ILE A O   1 
ATOM   1226 C CB  . ILE A 1 148 ? 24.972  10.803  20.131 1.00 16.48 ? 148 ILE A CB  1 
ATOM   1227 C CG1 . ILE A 1 148 ? 25.414  9.822   19.051 1.00 11.24 ? 148 ILE A CG1 1 
ATOM   1228 C CG2 . ILE A 1 148 ? 24.189  10.035  21.174 1.00 12.69 ? 148 ILE A CG2 1 
ATOM   1229 C CD1 . ILE A 1 148 ? 26.484  8.885   19.472 1.00 26.52 ? 148 ILE A CD1 1 
ATOM   1230 N N   . PHE A 1 149 ? 22.070  12.827  20.366 1.00 11.95 ? 149 PHE A N   1 
ATOM   1231 C CA  . PHE A 1 149 ? 21.280  13.755  21.159 1.00 15.05 ? 149 PHE A CA  1 
ATOM   1232 C C   . PHE A 1 149 ? 21.146  13.245  22.586 1.00 13.86 ? 149 PHE A C   1 
ATOM   1233 O O   . PHE A 1 149 ? 20.704  12.115  22.813 1.00 23.06 ? 149 PHE A O   1 
ATOM   1234 C CB  . PHE A 1 149 ? 19.896  13.919  20.534 1.00 18.75 ? 149 PHE A CB  1 
ATOM   1235 C CG  . PHE A 1 149 ? 19.052  14.941  21.212 1.00 23.37 ? 149 PHE A CG  1 
ATOM   1236 C CD1 . PHE A 1 149 ? 19.340  16.292  21.103 1.00 11.41 ? 149 PHE A CD1 1 
ATOM   1237 C CD2 . PHE A 1 149 ? 17.948  14.547  21.950 1.00 7.80  ? 149 PHE A CD2 1 
ATOM   1238 C CE1 . PHE A 1 149 ? 18.559  17.225  21.738 1.00 15.93 ? 149 PHE A CE1 1 
ATOM   1239 C CE2 . PHE A 1 149 ? 17.165  15.474  22.582 1.00 13.12 ? 149 PHE A CE2 1 
ATOM   1240 C CZ  . PHE A 1 149 ? 17.468  16.816  22.478 1.00 18.33 ? 149 PHE A CZ  1 
ATOM   1241 N N   . VAL A 1 150 ? 21.496  14.091  23.551 1.00 9.29  ? 150 VAL A N   1 
ATOM   1242 C CA  . VAL A 1 150 ? 21.420  13.731  24.962 1.00 33.14 ? 150 VAL A CA  1 
ATOM   1243 C C   . VAL A 1 150 ? 20.354  14.523  25.705 1.00 24.16 ? 150 VAL A C   1 
ATOM   1244 O O   . VAL A 1 150 ? 20.193  14.343  26.921 1.00 18.72 ? 150 VAL A O   1 
ATOM   1245 C CB  . VAL A 1 150 ? 22.794  13.888  25.644 1.00 26.31 ? 150 VAL A CB  1 
ATOM   1246 C CG1 . VAL A 1 150 ? 23.845  13.121  24.869 1.00 25.41 ? 150 VAL A CG1 1 
ATOM   1247 C CG2 . VAL A 1 150 ? 23.194  15.349  25.755 1.00 41.00 ? 150 VAL A CG2 1 
ATOM   1248 N N   . GLY A 1 151 ? 19.603  15.364  25.003 1.00 11.32 ? 151 GLY A N   1 
ATOM   1249 C CA  . GLY A 1 151 ? 18.714  16.344  25.582 1.00 11.95 ? 151 GLY A CA  1 
ATOM   1250 C C   . GLY A 1 151 ? 19.326  17.735  25.531 1.00 19.99 ? 151 GLY A C   1 
ATOM   1251 O O   . GLY A 1 151 ? 20.245  17.999  24.747 1.00 12.76 ? 151 GLY A O   1 
ATOM   1252 N N   . PRO A 1 152 ? 18.854  18.650  26.381 1.00 14.51 ? 152 PRO A N   1 
ATOM   1253 C CA  . PRO A 1 152 ? 17.853  18.484  27.440 1.00 20.16 ? 152 PRO A CA  1 
ATOM   1254 C C   . PRO A 1 152 ? 16.480  18.050  26.948 1.00 16.69 ? 152 PRO A C   1 
ATOM   1255 O O   . PRO A 1 152 ? 16.057  18.436  25.863 1.00 22.16 ? 152 PRO A O   1 
ATOM   1256 C CB  . PRO A 1 152 ? 17.758  19.898  28.039 1.00 11.15 ? 152 PRO A CB  1 
ATOM   1257 C CG  . PRO A 1 152 ? 19.086  20.500  27.785 1.00 16.84 ? 152 PRO A CG  1 
ATOM   1258 C CD  . PRO A 1 152 ? 19.472  19.986  26.427 1.00 15.17 ? 152 PRO A CD  1 
ATOM   1259 N N   . CYS A 1 153 ? 15.776  17.242  27.735 1.00 8.52  ? 153 CYS A N   1 
ATOM   1260 C CA  . CYS A 1 153 ? 14.387  16.890  27.466 1.00 17.74 ? 153 CYS A CA  1 
ATOM   1261 C C   . CYS A 1 153 ? 13.830  16.251  28.725 1.00 12.98 ? 153 CYS A C   1 
ATOM   1262 O O   . CYS A 1 153 ? 14.582  15.678  29.520 1.00 32.53 ? 153 CYS A O   1 
ATOM   1263 C CB  . CYS A 1 153 ? 14.211  15.945  26.264 1.00 26.38 ? 153 CYS A CB  1 
ATOM   1264 S SG  . CYS A 1 153 ? 15.177  14.425  26.201 1.00 48.41 ? 153 CYS A SG  1 
ATOM   1265 N N   . GLY A 1 154 ? 12.520  16.349  28.904 1.00 17.33 ? 154 GLY A N   1 
ATOM   1266 C CA  . GLY A 1 154 ? 11.835  15.641  29.966 1.00 14.18 ? 154 GLY A CA  1 
ATOM   1267 C C   . GLY A 1 154 ? 11.281  14.315  29.493 1.00 22.69 ? 154 GLY A C   1 
ATOM   1268 O O   . GLY A 1 154 ? 11.641  13.798  28.433 1.00 20.20 ? 154 GLY A O   1 
ATOM   1269 N N   . ASN A 1 155 ? 10.376  13.761  30.296 1.00 29.83 ? 155 ASN A N   1 
ATOM   1270 C CA  . ASN A 1 155 ? 9.732   12.489  29.994 1.00 26.15 ? 155 ASN A CA  1 
ATOM   1271 C C   . ASN A 1 155 ? 8.291   12.673  29.518 1.00 27.69 ? 155 ASN A C   1 
ATOM   1272 O O   . ASN A 1 155 ? 7.503   11.725  29.554 1.00 21.91 ? 155 ASN A O   1 
ATOM   1273 C CB  . ASN A 1 155 ? 9.778   11.579  31.224 1.00 26.43 ? 155 ASN A CB  1 
ATOM   1274 C CG  . ASN A 1 155 ? 11.208  11.296  31.692 1.00 64.21 ? 155 ASN A CG  1 
ATOM   1275 O OD1 . ASN A 1 155 ? 12.114  11.062  30.883 1.00 21.70 ? 155 ASN A OD1 1 
ATOM   1276 N ND2 . ASN A 1 155 ? 11.413  11.322  33.007 1.00 52.87 ? 155 ASN A ND2 1 
ATOM   1277 N N   . LYS A 1 156 ? 7.932   13.879  29.073 1.00 26.36 ? 156 LYS A N   1 
ATOM   1278 C CA  . LYS A 1 156 ? 6.557   14.181  28.676 1.00 14.27 ? 156 LYS A CA  1 
ATOM   1279 C C   . LYS A 1 156 ? 6.399   13.830  27.201 1.00 16.43 ? 156 LYS A C   1 
ATOM   1280 O O   . LYS A 1 156 ? 6.485   14.680  26.312 1.00 22.61 ? 156 LYS A O   1 
ATOM   1281 C CB  . LYS A 1 156 ? 6.216   15.646  28.950 1.00 22.51 ? 156 LYS A CB  1 
ATOM   1282 C CG  . LYS A 1 156 ? 6.618   16.199  30.327 1.00 22.42 ? 156 LYS A CG  1 
ATOM   1283 C CD  . LYS A 1 156 ? 6.490   15.146  31.453 1.00 49.88 ? 156 LYS A CD  1 
ATOM   1284 C CE  . LYS A 1 156 ? 6.082   15.754  32.790 1.00 60.42 ? 156 LYS A CE  1 
ATOM   1285 N NZ  . LYS A 1 156 ? 7.212   15.783  33.763 1.00 32.19 ? 156 LYS A NZ  1 
ATOM   1286 N N   . VAL A 1 157 ? 6.169   12.542  26.934 1.00 24.46 ? 157 VAL A N   1 
ATOM   1287 C CA  . VAL A 1 157 ? 6.177   12.087  25.550 1.00 16.47 ? 157 VAL A CA  1 
ATOM   1288 C C   . VAL A 1 157 ? 4.951   12.621  24.833 1.00 12.45 ? 157 VAL A C   1 
ATOM   1289 O O   . VAL A 1 157 ? 3.849   12.695  25.395 1.00 22.30 ? 157 VAL A O   1 
ATOM   1290 C CB  . VAL A 1 157 ? 6.224   10.551  25.441 1.00 20.97 ? 157 VAL A CB  1 
ATOM   1291 C CG1 . VAL A 1 157 ? 7.491   9.986   26.046 1.00 18.41 ? 157 VAL A CG1 1 
ATOM   1292 C CG2 . VAL A 1 157 ? 4.992   9.929   26.048 1.00 8.87  ? 157 VAL A CG2 1 
ATOM   1293 N N   . ASP A 1 158 ? 5.148   12.983  23.577 1.00 16.16 ? 158 ASP A N   1 
ATOM   1294 C CA  . ASP A 1 158 ? 4.118   13.658  22.801 1.00 11.42 ? 158 ASP A CA  1 
ATOM   1295 C C   . ASP A 1 158 ? 4.307   13.371  21.320 1.00 28.32 ? 158 ASP A C   1 
ATOM   1296 O O   . ASP A 1 158 ? 3.571   13.939  20.502 1.00 35.33 ? 158 ASP A O   1 
ATOM   1297 C CB  . ASP A 1 158 ? 4.108   15.178  23.107 1.00 26.93 ? 158 ASP A CB  1 
ATOM   1298 C CG  . ASP A 1 158 ? 5.458   15.866  22.857 1.00 26.01 ? 158 ASP A CG  1 
ATOM   1299 O OD1 . ASP A 1 158 ? 6.248   15.418  22.001 1.00 31.95 ? 158 ASP A OD1 1 
ATOM   1300 O OD2 . ASP A 1 158 ? 5.746   16.853  23.569 1.00 26.70 ? 158 ASP A OD2 1 
ATOM   1301 N N   . HIS A 1 159 ? 5.223   12.476  20.948 1.00 14.85 ? 159 HIS A N   1 
ATOM   1302 C CA  . HIS A 1 159 ? 5.617   12.353  19.550 1.00 27.86 ? 159 HIS A CA  1 
ATOM   1303 C C   . HIS A 1 159 ? 6.038   10.921  19.273 1.00 20.19 ? 159 HIS A C   1 
ATOM   1304 O O   . HIS A 1 159 ? 6.927   10.388  19.941 1.00 22.29 ? 159 HIS A O   1 
ATOM   1305 C CB  . HIS A 1 159 ? 6.757   13.321  19.221 1.00 12.64 ? 159 HIS A CB  1 
ATOM   1306 C CG  . HIS A 1 159 ? 7.107   13.364  17.770 1.00 25.81 ? 159 HIS A CG  1 
ATOM   1307 N ND1 . HIS A 1 159 ? 6.170   13.578  16.781 1.00 16.42 ? 159 HIS A ND1 1 
ATOM   1308 C CD2 . HIS A 1 159 ? 8.291   13.180  17.137 1.00 16.99 ? 159 HIS A CD2 1 
ATOM   1309 C CE1 . HIS A 1 159 ? 6.767   13.545  15.602 1.00 17.95 ? 159 HIS A CE1 1 
ATOM   1310 N NE2 . HIS A 1 159 ? 8.052   13.300  15.788 1.00 12.16 ? 159 HIS A NE2 1 
ATOM   1311 N N   . ALA A 1 160 ? 5.404   10.313  18.278 1.00 4.04  ? 160 ALA A N   1 
ATOM   1312 C CA  . ALA A 1 160 ? 5.691   8.945   17.888 1.00 10.59 ? 160 ALA A CA  1 
ATOM   1313 C C   . ALA A 1 160 ? 6.642   8.961   16.704 1.00 4.47  ? 160 ALA A C   1 
ATOM   1314 O O   . ALA A 1 160 ? 6.444   9.714   15.745 1.00 17.00 ? 160 ALA A O   1 
ATOM   1315 C CB  . ALA A 1 160 ? 4.400   8.200   17.525 1.00 12.29 ? 160 ALA A CB  1 
ATOM   1316 N N   . VAL A 1 161 ? 7.665   8.122   16.775 1.00 10.62 ? 161 VAL A N   1 
ATOM   1317 C CA  . VAL A 1 161 ? 8.718   8.040   15.776 1.00 8.68  ? 161 VAL A CA  1 
ATOM   1318 C C   . VAL A 1 161 ? 9.050   6.570   15.642 1.00 19.14 ? 161 VAL A C   1 
ATOM   1319 O O   . VAL A 1 161 ? 8.390   5.725   16.261 1.00 17.76 ? 161 VAL A O   1 
ATOM   1320 C CB  . VAL A 1 161 ? 9.953   8.863   16.177 1.00 7.02  ? 161 VAL A CB  1 
ATOM   1321 C CG1 . VAL A 1 161 ? 9.639   10.332  16.163 1.00 9.15  ? 161 VAL A CG1 1 
ATOM   1322 C CG2 . VAL A 1 161 ? 10.376  8.477   17.583 1.00 19.18 ? 161 VAL A CG2 1 
ATOM   1323 N N   . ALA A 1 162 ? 10.120  6.241   14.920 1.00 17.51 ? 162 ALA A N   1 
ATOM   1324 C CA  . ALA A 1 162 ? 10.431  4.832   14.747 1.00 9.36  ? 162 ALA A CA  1 
ATOM   1325 C C   . ALA A 1 162 ? 11.902  4.558   15.007 1.00 14.08 ? 162 ALA A C   1 
ATOM   1326 O O   . ALA A 1 162 ? 12.765  5.202   14.417 1.00 12.73 ? 162 ALA A O   1 
ATOM   1327 C CB  . ALA A 1 162 ? 10.043  4.396   13.340 1.00 5.57  ? 162 ALA A CB  1 
ATOM   1328 N N   . ALA A 1 163 ? 12.188  3.535   15.800 1.00 9.24  ? 163 ALA A N   1 
ATOM   1329 C CA  . ALA A 1 163 ? 13.560  3.120   16.043 1.00 9.89  ? 163 ALA A CA  1 
ATOM   1330 C C   . ALA A 1 163 ? 13.931  2.109   14.971 1.00 16.81 ? 163 ALA A C   1 
ATOM   1331 O O   . ALA A 1 163 ? 13.269  1.072   14.824 1.00 10.91 ? 163 ALA A O   1 
ATOM   1332 C CB  . ALA A 1 163 ? 13.706  2.495   17.431 1.00 7.07  ? 163 ALA A CB  1 
ATOM   1333 N N   . VAL A 1 164 ? 14.983  2.422   14.217 1.00 11.99 ? 164 VAL A N   1 
ATOM   1334 C CA  . VAL A 1 164 ? 15.414  1.605   13.095 1.00 12.66 ? 164 VAL A CA  1 
ATOM   1335 C C   . VAL A 1 164 ? 16.837  1.091   13.275 1.00 22.46 ? 164 VAL A C   1 
ATOM   1336 O O   . VAL A 1 164 ? 17.387  0.462   12.366 1.00 16.39 ? 164 VAL A O   1 
ATOM   1337 C CB  . VAL A 1 164 ? 15.288  2.385   11.772 1.00 18.10 ? 164 VAL A CB  1 
ATOM   1338 C CG1 . VAL A 1 164 ? 13.847  2.744   11.503 1.00 4.79  ? 164 VAL A CG1 1 
ATOM   1339 C CG2 . VAL A 1 164 ? 16.165  3.642   11.830 1.00 21.07 ? 164 VAL A CG2 1 
ATOM   1340 N N   . GLY A 1 165 ? 17.435  1.315   14.437 1.00 9.65  ? 165 GLY A N   1 
ATOM   1341 C CA  . GLY A 1 165 ? 18.762  0.790   14.696 1.00 11.98 ? 165 GLY A CA  1 
ATOM   1342 C C   . GLY A 1 165 ? 19.240  1.271   16.043 1.00 6.29  ? 165 GLY A C   1 
ATOM   1343 O O   . GLY A 1 165 ? 18.501  1.905   16.797 1.00 9.07  ? 165 GLY A O   1 
ATOM   1344 N N   . TYR A 1 166 ? 20.490  0.943   16.348 1.00 9.95  ? 166 TYR A N   1 
ATOM   1345 C CA  . TYR A 1 166 ? 21.080  1.386   17.604 1.00 11.92 ? 166 TYR A CA  1 
ATOM   1346 C C   . TYR A 1 166 ? 22.581  1.162   17.532 1.00 11.33 ? 166 TYR A C   1 
ATOM   1347 O O   . TYR A 1 166 ? 23.093  0.486   16.636 1.00 7.94  ? 166 TYR A O   1 
ATOM   1348 C CB  . TYR A 1 166 ? 20.474  0.684   18.821 1.00 1.65  ? 166 TYR A CB  1 
ATOM   1349 C CG  . TYR A 1 166 ? 20.703  -0.794  18.902 1.00 8.57  ? 166 TYR A CG  1 
ATOM   1350 C CD1 . TYR A 1 166 ? 21.924  -1.298  19.326 1.00 7.10  ? 166 TYR A CD1 1 
ATOM   1351 C CD2 . TYR A 1 166 ? 19.694  -1.700  18.584 1.00 12.06 ? 166 TYR A CD2 1 
ATOM   1352 C CE1 . TYR A 1 166 ? 22.153  -2.664  19.413 1.00 11.03 ? 166 TYR A CE1 1 
ATOM   1353 C CE2 . TYR A 1 166 ? 19.916  -3.066  18.675 1.00 14.48 ? 166 TYR A CE2 1 
ATOM   1354 C CZ  . TYR A 1 166 ? 21.152  -3.539  19.093 1.00 14.59 ? 166 TYR A CZ  1 
ATOM   1355 O OH  . TYR A 1 166 ? 21.400  -4.890  19.191 1.00 20.32 ? 166 TYR A OH  1 
ATOM   1356 N N   . GLY A 1 167 ? 23.276  1.742   18.495 1.00 10.65 ? 167 GLY A N   1 
ATOM   1357 C CA  . GLY A 1 167 ? 24.680  1.489   18.692 1.00 9.61  ? 167 GLY A CA  1 
ATOM   1358 C C   . GLY A 1 167 ? 24.965  1.434   20.173 1.00 14.40 ? 167 GLY A C   1 
ATOM   1359 O O   . GLY A 1 167 ? 24.045  1.423   21.001 1.00 15.10 ? 167 GLY A O   1 
ATOM   1360 N N   . PRO A 1 168 ? 26.239  1.341   20.542 1.00 14.31 ? 168 PRO A N   1 
ATOM   1361 C CA  . PRO A 1 168 ? 26.560  1.217   21.968 1.00 16.71 ? 168 PRO A CA  1 
ATOM   1362 C C   . PRO A 1 168 ? 25.965  2.328   22.817 1.00 18.94 ? 168 PRO A C   1 
ATOM   1363 O O   . PRO A 1 168 ? 25.399  2.054   23.882 1.00 15.42 ? 168 PRO A O   1 
ATOM   1364 C CB  . PRO A 1 168 ? 28.090  1.251   21.971 1.00 28.41 ? 168 PRO A CB  1 
ATOM   1365 C CG  . PRO A 1 168 ? 28.469  0.642   20.651 1.00 18.10 ? 168 PRO A CG  1 
ATOM   1366 C CD  . PRO A 1 168 ? 27.406  1.089   19.683 1.00 15.53 ? 168 PRO A CD  1 
ATOM   1367 N N   A ASN A 1 169 ? 26.054  3.575   22.366 0.26 15.92 ? 169 ASN A N   1 
ATOM   1368 N N   B ASN A 1 169 ? 26.046  3.578   22.364 0.74 16.23 ? 169 ASN A N   1 
ATOM   1369 C CA  A ASN A 1 169 ? 25.624  4.706   23.171 0.26 15.88 ? 169 ASN A CA  1 
ATOM   1370 C CA  B ASN A 1 169 ? 25.621  4.711   23.173 0.74 15.84 ? 169 ASN A CA  1 
ATOM   1371 C C   A ASN A 1 169 ? 24.312  5.323   22.710 0.26 18.06 ? 169 ASN A C   1 
ATOM   1372 C C   B ASN A 1 169 ? 24.368  5.396   22.642 0.74 18.24 ? 169 ASN A C   1 
ATOM   1373 O O   A ASN A 1 169 ? 23.809  6.229   23.381 0.26 18.38 ? 169 ASN A O   1 
ATOM   1374 O O   B ASN A 1 169 ? 23.966  6.427   23.190 0.74 19.20 ? 169 ASN A O   1 
ATOM   1375 C CB  A ASN A 1 169 ? 26.717  5.782   23.191 0.26 16.15 ? 169 ASN A CB  1 
ATOM   1376 C CB  B ASN A 1 169 ? 26.763  5.728   23.298 0.74 16.04 ? 169 ASN A CB  1 
ATOM   1377 C CG  A ASN A 1 169 ? 27.877  5.416   24.095 0.26 16.31 ? 169 ASN A CG  1 
ATOM   1378 C CG  B ASN A 1 169 ? 27.282  6.192   21.949 0.74 17.70 ? 169 ASN A CG  1 
ATOM   1379 O OD1 A ASN A 1 169 ? 28.446  4.328   23.987 0.26 11.26 ? 169 ASN A OD1 1 
ATOM   1380 O OD1 B ASN A 1 169 ? 27.135  5.495   20.944 0.74 16.18 ? 169 ASN A OD1 1 
ATOM   1381 N ND2 A ASN A 1 169 ? 28.234  6.325   24.996 0.26 24.16 ? 169 ASN A ND2 1 
ATOM   1382 N ND2 B ASN A 1 169 ? 27.888  7.373   21.919 0.74 15.04 ? 169 ASN A ND2 1 
ATOM   1383 N N   . TYR A 1 170 ? 23.731  4.863   21.604 1.00 15.10 ? 170 TYR A N   1 
ATOM   1384 C CA  . TYR A 1 170 ? 22.580  5.554   21.043 1.00 16.98 ? 170 TYR A CA  1 
ATOM   1385 C C   . TYR A 1 170 ? 21.542  4.570   20.526 1.00 21.90 ? 170 TYR A C   1 
ATOM   1386 O O   . TYR A 1 170 ? 21.789  3.370   20.371 1.00 22.55 ? 170 TYR A O   1 
ATOM   1387 C CB  . TYR A 1 170 ? 22.986  6.482   19.889 1.00 10.79 ? 170 TYR A CB  1 
ATOM   1388 C CG  . TYR A 1 170 ? 23.515  5.740   18.682 1.00 7.85  ? 170 TYR A CG  1 
ATOM   1389 C CD1 . TYR A 1 170 ? 24.855  5.419   18.565 1.00 10.05 ? 170 TYR A CD1 1 
ATOM   1390 C CD2 . TYR A 1 170 ? 22.663  5.378   17.643 1.00 4.83  ? 170 TYR A CD2 1 
ATOM   1391 C CE1 . TYR A 1 170 ? 25.339  4.741   17.448 1.00 8.17  ? 170 TYR A CE1 1 
ATOM   1392 C CE2 . TYR A 1 170 ? 23.133  4.694   16.530 1.00 4.06  ? 170 TYR A CE2 1 
ATOM   1393 C CZ  . TYR A 1 170 ? 24.473  4.376   16.437 1.00 11.16 ? 170 TYR A CZ  1 
ATOM   1394 O OH  . TYR A 1 170 ? 24.947  3.701   15.328 1.00 7.90  ? 170 TYR A OH  1 
ATOM   1395 N N   . ILE A 1 171 ? 20.358  5.110   20.291 1.00 13.94 ? 171 ILE A N   1 
ATOM   1396 C CA  . ILE A 1 171 ? 19.300  4.463   19.541 1.00 8.86  ? 171 ILE A CA  1 
ATOM   1397 C C   . ILE A 1 171 ? 19.016  5.340   18.332 1.00 10.47 ? 171 ILE A C   1 
ATOM   1398 O O   . ILE A 1 171 ? 18.968  6.570   18.445 1.00 8.97  ? 171 ILE A O   1 
ATOM   1399 C CB  . ILE A 1 171 ? 18.057  4.241   20.414 1.00 5.87  ? 171 ILE A CB  1 
ATOM   1400 C CG1 . ILE A 1 171 ? 18.376  3.142   21.443 1.00 8.10  ? 171 ILE A CG1 1 
ATOM   1401 C CG2 . ILE A 1 171 ? 16.852  3.891   19.550 1.00 6.59  ? 171 ILE A CG2 1 
ATOM   1402 C CD1 . ILE A 1 171 ? 17.346  2.987   22.569 1.00 11.21 ? 171 ILE A CD1 1 
ATOM   1403 N N   . LEU A 1 172 ? 18.871  4.705   17.177 1.00 7.76  ? 172 LEU A N   1 
ATOM   1404 C CA  . LEU A 1 172 ? 18.720  5.391   15.906 1.00 2.05  ? 172 LEU A CA  1 
ATOM   1405 C C   . LEU A 1 172 ? 17.243  5.545   15.574 1.00 15.76 ? 172 LEU A C   1 
ATOM   1406 O O   . LEU A 1 172 ? 16.524  4.545   15.465 1.00 15.25 ? 172 LEU A O   1 
ATOM   1407 C CB  . LEU A 1 172 ? 19.413  4.604   14.796 1.00 18.94 ? 172 LEU A CB  1 
ATOM   1408 C CG  . LEU A 1 172 ? 19.196  5.175   13.391 1.00 17.28 ? 172 LEU A CG  1 
ATOM   1409 C CD1 . LEU A 1 172 ? 19.835  6.553   13.276 1.00 12.66 ? 172 LEU A CD1 1 
ATOM   1410 C CD2 . LEU A 1 172 ? 19.707  4.218   12.314 1.00 17.14 ? 172 LEU A CD2 1 
ATOM   1411 N N   . ILE A 1 173 ? 16.802  6.784   15.365 1.00 9.23  ? 173 ILE A N   1 
ATOM   1412 C CA  . ILE A 1 173 ? 15.389  7.126   15.257 1.00 13.74 ? 173 ILE A CA  1 
ATOM   1413 C C   . ILE A 1 173 ? 15.129  7.763   13.897 1.00 9.67  ? 173 ILE A C   1 
ATOM   1414 O O   . ILE A 1 173 ? 15.803  8.720   13.509 1.00 13.40 ? 173 ILE A O   1 
ATOM   1415 C CB  . ILE A 1 173 ? 14.942  8.059   16.400 1.00 7.87  ? 173 ILE A CB  1 
ATOM   1416 C CG1 . ILE A 1 173 ? 15.098  7.372   17.750 1.00 12.51 ? 173 ILE A CG1 1 
ATOM   1417 C CG2 . ILE A 1 173 ? 13.529  8.552   16.175 1.00 13.47 ? 173 ILE A CG2 1 
ATOM   1418 C CD1 . ILE A 1 173 ? 14.229  6.159   17.895 1.00 10.97 ? 173 ILE A CD1 1 
ATOM   1419 N N   . LYS A 1 174 ? 14.141  7.232   13.196 1.00 11.55 ? 174 LYS A N   1 
ATOM   1420 C CA  . LYS A 1 174 ? 13.574  7.812   11.991 1.00 11.00 ? 174 LYS A CA  1 
ATOM   1421 C C   . LYS A 1 174 ? 12.435  8.728   12.408 1.00 11.56 ? 174 LYS A C   1 
ATOM   1422 O O   . LYS A 1 174 ? 11.465  8.278   13.046 1.00 14.25 ? 174 LYS A O   1 
ATOM   1423 C CB  . LYS A 1 174 ? 13.058  6.733   11.043 1.00 10.21 ? 174 LYS A CB  1 
ATOM   1424 C CG  . LYS A 1 174 ? 12.555  7.318   9.715  1.00 28.95 ? 174 LYS A CG  1 
ATOM   1425 C CD  . LYS A 1 174 ? 11.991  6.263   8.772  1.00 18.90 ? 174 LYS A CD  1 
ATOM   1426 C CE  . LYS A 1 174 ? 11.725  6.832   7.396  1.00 9.18  ? 174 LYS A CE  1 
ATOM   1427 N NZ  . LYS A 1 174 ? 10.878  5.923   6.602  1.00 16.77 ? 174 LYS A NZ  1 
ATOM   1428 N N   . ASN A 1 175 ? 12.612  10.019  12.166 1.00 4.22  ? 175 ASN A N   1 
ATOM   1429 C CA  . ASN A 1 175 ? 11.563  10.986  12.430 1.00 15.84 ? 175 ASN A CA  1 
ATOM   1430 C C   . ASN A 1 175 ? 10.745  11.211  11.153 1.00 13.95 ? 175 ASN A C   1 
ATOM   1431 O O   . ASN A 1 175 ? 11.144  10.823  10.051 1.00 10.62 ? 175 ASN A O   1 
ATOM   1432 C CB  . ASN A 1 175 ? 12.161  12.279  12.963 1.00 4.71  ? 175 ASN A CB  1 
ATOM   1433 C CG  . ASN A 1 175 ? 11.150  13.113  13.712 1.00 10.71 ? 175 ASN A CG  1 
ATOM   1434 O OD1 . ASN A 1 175 ? 9.988   12.722  13.867 1.00 7.97  ? 175 ASN A OD1 1 
ATOM   1435 N ND2 . ASN A 1 175 ? 11.601  14.245  14.240 1.00 16.12 ? 175 ASN A ND2 1 
ATOM   1436 N N   . SER A 1 176 ? 9.610   11.882  11.298 1.00 8.31  ? 176 SER A N   1 
ATOM   1437 C CA  . SER A 1 176 ? 8.700   12.134  10.184 1.00 8.88  ? 176 SER A CA  1 
ATOM   1438 C C   . SER A 1 176 ? 8.587   13.628  9.926  1.00 12.83 ? 176 SER A C   1 
ATOM   1439 O O   . SER A 1 176 ? 7.509   14.167  9.660  1.00 9.46  ? 176 SER A O   1 
ATOM   1440 C CB  . SER A 1 176 ? 7.328   11.528  10.456 1.00 10.13 ? 176 SER A CB  1 
ATOM   1441 O OG  . SER A 1 176 ? 6.857   11.927  11.736 1.00 9.33  ? 176 SER A OG  1 
ATOM   1442 N N   . TRP A 1 177 ? 9.729   14.307  9.976  1.00 13.53 ? 177 TRP A N   1 
ATOM   1443 C CA  . TRP A 1 177 ? 9.794   15.741  9.765  1.00 13.37 ? 177 TRP A CA  1 
ATOM   1444 C C   . TRP A 1 177 ? 10.557  16.113  8.492  1.00 17.30 ? 177 TRP A C   1 
ATOM   1445 O O   . TRP A 1 177 ? 11.065  17.230  8.378  1.00 4.85  ? 177 TRP A O   1 
ATOM   1446 C CB  . TRP A 1 177 ? 10.433  16.390  10.988 1.00 14.34 ? 177 TRP A CB  1 
ATOM   1447 C CG  . TRP A 1 177 ? 9.532   16.399  12.184 1.00 14.17 ? 177 TRP A CG  1 
ATOM   1448 C CD1 . TRP A 1 177 ? 8.211   16.040  12.225 1.00 15.34 ? 177 TRP A CD1 1 
ATOM   1449 C CD2 . TRP A 1 177 ? 9.869   16.840  13.505 1.00 12.28 ? 177 TRP A CD2 1 
ATOM   1450 N NE1 . TRP A 1 177 ? 7.713   16.216  13.496 1.00 10.51 ? 177 TRP A NE1 1 
ATOM   1451 C CE2 . TRP A 1 177 ? 8.711   16.711  14.297 1.00 20.58 ? 177 TRP A CE2 1 
ATOM   1452 C CE3 . TRP A 1 177 ? 11.033  17.344  14.089 1.00 14.99 ? 177 TRP A CE3 1 
ATOM   1453 C CZ2 . TRP A 1 177 ? 8.694   17.047  15.646 1.00 10.10 ? 177 TRP A CZ2 1 
ATOM   1454 C CZ3 . TRP A 1 177 ? 11.009  17.682  15.427 1.00 19.75 ? 177 TRP A CZ3 1 
ATOM   1455 C CH2 . TRP A 1 177 ? 9.848   17.535  16.188 1.00 19.95 ? 177 TRP A CH2 1 
ATOM   1456 N N   . GLY A 1 178 ? 10.667  15.198  7.539  1.00 12.74 ? 178 GLY A N   1 
ATOM   1457 C CA  . GLY A 1 178 ? 11.356  15.488  6.303  1.00 4.97  ? 178 GLY A CA  1 
ATOM   1458 C C   . GLY A 1 178 ? 12.844  15.220  6.402  1.00 15.98 ? 178 GLY A C   1 
ATOM   1459 O O   . GLY A 1 178 ? 13.405  15.011  7.479  1.00 16.09 ? 178 GLY A O   1 
ATOM   1460 N N   . THR A 1 179 ? 13.501  15.234  5.237  1.00 7.90  ? 179 THR A N   1 
ATOM   1461 C CA  . THR A 1 179 ? 14.928  14.926  5.161  1.00 13.01 ? 179 THR A CA  1 
ATOM   1462 C C   . THR A 1 179 ? 15.824  16.076  5.601  1.00 10.92 ? 179 THR A C   1 
ATOM   1463 O O   . THR A 1 179 ? 17.032  15.872  5.740  1.00 12.05 ? 179 THR A O   1 
ATOM   1464 C CB  . THR A 1 179 ? 15.318  14.485  3.748  1.00 13.78 ? 179 THR A CB  1 
ATOM   1465 O OG1 . THR A 1 179 ? 14.995  15.520  2.802  1.00 14.80 ? 179 THR A OG1 1 
ATOM   1466 C CG2 . THR A 1 179 ? 14.589  13.203  3.382  1.00 11.39 ? 179 THR A CG2 1 
ATOM   1467 N N   . GLY A 1 180 ? 15.279  17.272  5.810  1.00 14.00 ? 180 GLY A N   1 
ATOM   1468 C CA  . GLY A 1 180 ? 16.095  18.388  6.248  1.00 1.50  ? 180 GLY A CA  1 
ATOM   1469 C C   . GLY A 1 180 ? 16.293  18.524  7.738  1.00 19.32 ? 180 GLY A C   1 
ATOM   1470 O O   . GLY A 1 180 ? 17.092  19.360  8.171  1.00 34.58 ? 180 GLY A O   1 
ATOM   1471 N N   . TRP A 1 181 ? 15.588  17.734  8.540  1.00 9.51  ? 181 TRP A N   1 
ATOM   1472 C CA  . TRP A 1 181 ? 15.725  17.773  9.991  1.00 18.77 ? 181 TRP A CA  1 
ATOM   1473 C C   . TRP A 1 181 ? 16.756  16.760  10.469 1.00 19.35 ? 181 TRP A C   1 
ATOM   1474 O O   . TRP A 1 181 ? 16.845  15.653  9.929  1.00 17.84 ? 181 TRP A O   1 
ATOM   1475 C CB  . TRP A 1 181 ? 14.386  17.496  10.671 1.00 7.29  ? 181 TRP A CB  1 
ATOM   1476 C CG  . TRP A 1 181 ? 14.455  17.524  12.182 1.00 12.07 ? 181 TRP A CG  1 
ATOM   1477 C CD1 . TRP A 1 181 ? 14.335  18.617  12.995 1.00 6.34  ? 181 TRP A CD1 1 
ATOM   1478 C CD2 . TRP A 1 181 ? 14.657  16.403  13.046 1.00 13.22 ? 181 TRP A CD2 1 
ATOM   1479 N NE1 . TRP A 1 181 ? 14.455  18.245  14.310 1.00 10.83 ? 181 TRP A NE1 1 
ATOM   1480 C CE2 . TRP A 1 181 ? 14.654  16.891  14.371 1.00 16.24 ? 181 TRP A CE2 1 
ATOM   1481 C CE3 . TRP A 1 181 ? 14.854  15.031  12.828 1.00 14.57 ? 181 TRP A CE3 1 
ATOM   1482 C CZ2 . TRP A 1 181 ? 14.828  16.056  15.473 1.00 13.12 ? 181 TRP A CZ2 1 
ATOM   1483 C CZ3 . TRP A 1 181 ? 15.047  14.205  13.924 1.00 12.20 ? 181 TRP A CZ3 1 
ATOM   1484 C CH2 . TRP A 1 181 ? 15.021  14.719  15.231 1.00 17.50 ? 181 TRP A CH2 1 
ATOM   1485 N N   . GLY A 1 182 ? 17.590  17.171  11.426 1.00 6.73  ? 182 GLY A N   1 
ATOM   1486 C CA  . GLY A 1 182 ? 18.472  16.190  12.033 1.00 8.23  ? 182 GLY A CA  1 
ATOM   1487 C C   . GLY A 1 182 ? 19.471  15.661  11.025 1.00 9.00  ? 182 GLY A C   1 
ATOM   1488 O O   . GLY A 1 182 ? 19.951  16.380  10.141 1.00 12.16 ? 182 GLY A O   1 
ATOM   1489 N N   . GLU A 1 183 ? 19.768  14.370  11.144 1.00 7.90  ? 183 GLU A N   1 
ATOM   1490 C CA  . GLU A 1 183 ? 20.742  13.697  10.290 1.00 8.47  ? 183 GLU A CA  1 
ATOM   1491 C C   . GLU A 1 183 ? 20.005  13.081  9.099  1.00 16.43 ? 183 GLU A C   1 
ATOM   1492 O O   . GLU A 1 183 ? 19.676  11.895  9.072  1.00 18.99 ? 183 GLU A O   1 
ATOM   1493 C CB  . GLU A 1 183 ? 21.492  12.654  11.100 1.00 23.06 ? 183 GLU A CB  1 
ATOM   1494 C CG  . GLU A 1 183 ? 22.207  13.266  12.292 1.00 18.84 ? 183 GLU A CG  1 
ATOM   1495 C CD  . GLU A 1 183 ? 23.043  12.259  13.056 1.00 10.33 ? 183 GLU A CD  1 
ATOM   1496 O OE1 . GLU A 1 183 ? 22.623  11.083  13.146 1.00 17.96 ? 183 GLU A OE1 1 
ATOM   1497 O OE2 . GLU A 1 183 ? 24.108  12.646  13.581 1.00 22.73 ? 183 GLU A OE2 1 
ATOM   1498 N N   . ASN A 1 184 ? 19.719  13.926  8.106  1.00 18.92 ? 184 ASN A N   1 
ATOM   1499 C CA  . ASN A 1 184 ? 18.946  13.536  6.925  1.00 9.23  ? 184 ASN A CA  1 
ATOM   1500 C C   . ASN A 1 184 ? 17.602  12.926  7.313  1.00 13.79 ? 184 ASN A C   1 
ATOM   1501 O O   . ASN A 1 184 ? 17.078  12.033  6.638  1.00 10.18 ? 184 ASN A O   1 
ATOM   1502 C CB  . ASN A 1 184 ? 19.736  12.557  6.053  1.00 23.26 ? 184 ASN A CB  1 
ATOM   1503 C CG  . ASN A 1 184 ? 20.954  13.185  5.425  1.00 20.90 ? 184 ASN A CG  1 
ATOM   1504 O OD1 . ASN A 1 184 ? 21.059  14.407  5.339  1.00 21.71 ? 184 ASN A OD1 1 
ATOM   1505 N ND2 . ASN A 1 184 ? 21.895  12.351  4.998  1.00 43.87 ? 184 ASN A ND2 1 
ATOM   1506 N N   . GLY A 1 185 ? 17.011  13.448  8.379  1.00 8.90  ? 185 GLY A N   1 
ATOM   1507 C CA  . GLY A 1 185 ? 15.709  12.992  8.806  1.00 9.77  ? 185 GLY A CA  1 
ATOM   1508 C C   . GLY A 1 185 ? 15.767  12.067  9.996  1.00 8.93  ? 185 GLY A C   1 
ATOM   1509 O O   . GLY A 1 185 ? 14.714  11.635  10.483 1.00 10.56 ? 185 GLY A O   1 
ATOM   1510 N N   . TYR A 1 186 ? 16.962  11.708  10.442 1.00 7.20  ? 186 TYR A N   1 
ATOM   1511 C CA  . TYR A 1 186 ? 17.162  10.794  11.552 1.00 8.89  ? 186 TYR A CA  1 
ATOM   1512 C C   . TYR A 1 186 ? 17.691  11.548  12.761 1.00 10.53 ? 186 TYR A C   1 
ATOM   1513 O O   . TYR A 1 186 ? 18.209  12.661  12.652 1.00 13.81 ? 186 TYR A O   1 
ATOM   1514 C CB  . TYR A 1 186 ? 18.127  9.673   11.169 1.00 13.09 ? 186 TYR A CB  1 
ATOM   1515 C CG  . TYR A 1 186 ? 17.524  8.740   10.146 1.00 19.91 ? 186 TYR A CG  1 
ATOM   1516 C CD1 . TYR A 1 186 ? 17.546  9.070   8.799  1.00 8.13  ? 186 TYR A CD1 1 
ATOM   1517 C CD2 . TYR A 1 186 ? 16.873  7.564   10.528 1.00 22.73 ? 186 TYR A CD2 1 
ATOM   1518 C CE1 . TYR A 1 186 ? 16.989  8.222   7.844  1.00 28.42 ? 186 TYR A CE1 1 
ATOM   1519 C CE2 . TYR A 1 186 ? 16.301  6.715   9.579  1.00 27.24 ? 186 TYR A CE2 1 
ATOM   1520 C CZ  . TYR A 1 186 ? 16.358  7.054   8.240  1.00 19.25 ? 186 TYR A CZ  1 
ATOM   1521 O OH  . TYR A 1 186 ? 15.797  6.219   7.302  1.00 7.12  ? 186 TYR A OH  1 
ATOM   1522 N N   . ILE A 1 187 ? 17.541  10.931  13.926 1.00 7.71  ? 187 ILE A N   1 
ATOM   1523 C CA  . ILE A 1 187 ? 18.186  11.403  15.141 1.00 5.43  ? 187 ILE A CA  1 
ATOM   1524 C C   . ILE A 1 187 ? 18.795  10.224  15.870 1.00 9.74  ? 187 ILE A C   1 
ATOM   1525 O O   . ILE A 1 187 ? 18.169  9.175   16.017 1.00 17.60 ? 187 ILE A O   1 
ATOM   1526 C CB  . ILE A 1 187 ? 17.193  12.155  16.060 1.00 13.90 ? 187 ILE A CB  1 
ATOM   1527 C CG1 . ILE A 1 187 ? 17.881  12.609  17.354 1.00 15.32 ? 187 ILE A CG1 1 
ATOM   1528 C CG2 . ILE A 1 187 ? 15.945  11.366  16.339 1.00 13.42 ? 187 ILE A CG2 1 
ATOM   1529 C CD1 . ILE A 1 187 ? 17.095  13.604  18.152 1.00 16.10 ? 187 ILE A CD1 1 
ATOM   1530 N N   . ARG A 1 188 ? 19.994  10.405  16.386 1.00 9.24  ? 188 ARG A N   1 
ATOM   1531 C CA  . ARG A 1 188 ? 20.575  9.423   17.285 1.00 12.75 ? 188 ARG A CA  1 
ATOM   1532 C C   . ARG A 1 188 ? 20.436  9.933   18.705 1.00 5.12  ? 188 ARG A C   1 
ATOM   1533 O O   . ARG A 1 188 ? 20.975  10.995  19.038 1.00 16.73 ? 188 ARG A O   1 
ATOM   1534 C CB  . ARG A 1 188 ? 22.044  9.170   16.953 1.00 11.02 ? 188 ARG A CB  1 
ATOM   1535 C CG  . ARG A 1 188 ? 22.230  8.404   15.690 1.00 14.22 ? 188 ARG A CG  1 
ATOM   1536 C CD  . ARG A 1 188 ? 23.678  8.252   15.319 1.00 8.85  ? 188 ARG A CD  1 
ATOM   1537 N NE  . ARG A 1 188 ? 24.301  9.521   14.986 1.00 12.24 ? 188 ARG A NE  1 
ATOM   1538 C CZ  . ARG A 1 188 ? 25.549  9.847   15.289 1.00 19.40 ? 188 ARG A CZ  1 
ATOM   1539 N NH1 . ARG A 1 188 ? 26.362  8.987   15.883 1.00 26.19 ? 188 ARG A NH1 1 
ATOM   1540 N NH2 . ARG A 1 188 ? 26.012  11.045  14.930 1.00 7.08  ? 188 ARG A NH2 1 
ATOM   1541 N N   . ILE A 1 189 ? 19.726  9.181   19.540 1.00 7.58  ? 189 ILE A N   1 
ATOM   1542 C CA  . ILE A 1 189 ? 19.439  9.594   20.907 1.00 10.68 ? 189 ILE A CA  1 
ATOM   1543 C C   . ILE A 1 189 ? 20.280  8.728   21.826 1.00 9.41  ? 189 ILE A C   1 
ATOM   1544 O O   . ILE A 1 189 ? 20.315  7.505   21.678 1.00 22.14 ? 189 ILE A O   1 
ATOM   1545 C CB  . ILE A 1 189 ? 17.934  9.498   21.234 1.00 14.19 ? 189 ILE A CB  1 
ATOM   1546 C CG1 . ILE A 1 189 ? 17.130  10.485  20.365 1.00 14.64 ? 189 ILE A CG1 1 
ATOM   1547 C CG2 . ILE A 1 189 ? 17.665  9.615   22.699 1.00 10.86 ? 189 ILE A CG2 1 
ATOM   1548 C CD1 . ILE A 1 189 ? 15.941  9.943   19.741 1.00 32.10 ? 189 ILE A CD1 1 
ATOM   1549 N N   . LYS A 1 190 ? 21.000  9.369   22.732 1.00 7.46  ? 190 LYS A N   1 
ATOM   1550 C CA  . LYS A 1 190 ? 21.880  8.650   23.637 1.00 8.05  ? 190 LYS A CA  1 
ATOM   1551 C C   . LYS A 1 190 ? 21.097  7.578   24.395 1.00 13.28 ? 190 LYS A C   1 
ATOM   1552 O O   . LYS A 1 190 ? 19.940  7.788   24.764 1.00 16.38 ? 190 LYS A O   1 
ATOM   1553 C CB  . LYS A 1 190 ? 22.598  9.637   24.570 1.00 12.24 ? 190 LYS A CB  1 
ATOM   1554 C CG  . LYS A 1 190 ? 23.557  8.977   25.600 1.00 24.54 ? 190 LYS A CG  1 
ATOM   1555 C CD  . LYS A 1 190 ? 24.116  9.971   26.632 1.00 33.44 ? 190 LYS A CD  1 
ATOM   1556 C CE  . LYS A 1 190 ? 25.637  9.878   26.752 1.00 43.94 ? 190 LYS A CE  1 
ATOM   1557 N NZ  . LYS A 1 190 ? 26.064  8.642   27.465 1.00 38.26 ? 190 LYS A NZ  1 
ATOM   1558 N N   . ARG A 1 191 ? 21.716  6.414   24.596 1.00 16.92 ? 191 ARG A N   1 
ATOM   1559 C CA  . ARG A 1 191 ? 21.152  5.392   25.468 1.00 18.41 ? 191 ARG A CA  1 
ATOM   1560 C C   . ARG A 1 191 ? 22.208  5.022   26.498 1.00 14.78 ? 191 ARG A C   1 
ATOM   1561 O O   . ARG A 1 191 ? 23.368  5.427   26.398 1.00 14.10 ? 191 ARG A O   1 
ATOM   1562 C CB  . ARG A 1 191 ? 20.737  4.134   24.698 1.00 15.15 ? 191 ARG A CB  1 
ATOM   1563 C CG  . ARG A 1 191 ? 21.933  3.280   24.271 1.00 14.61 ? 191 ARG A CG  1 
ATOM   1564 C CD  . ARG A 1 191 ? 21.487  1.984   23.582 1.00 12.88 ? 191 ARG A CD  1 
ATOM   1565 N NE  . ARG A 1 191 ? 22.612  1.092   23.297 1.00 23.78 ? 191 ARG A NE  1 
ATOM   1566 C CZ  . ARG A 1 191 ? 23.140  0.230   24.160 1.00 11.18 ? 191 ARG A CZ  1 
ATOM   1567 N NH1 . ARG A 1 191 ? 22.721  0.158   25.410 1.00 9.82  ? 191 ARG A NH1 1 
ATOM   1568 N NH2 . ARG A 1 191 ? 24.145  -0.549  23.768 1.00 23.23 ? 191 ARG A NH2 1 
ATOM   1569 N N   . GLY A 1 192 ? 21.806  4.212   27.475 1.00 17.13 ? 192 GLY A N   1 
ATOM   1570 C CA  . GLY A 1 192 ? 22.735  3.758   28.489 1.00 21.20 ? 192 GLY A CA  1 
ATOM   1571 C C   . GLY A 1 192 ? 22.977  4.733   29.620 1.00 26.96 ? 192 GLY A C   1 
ATOM   1572 O O   . GLY A 1 192 ? 23.970  4.590   30.343 1.00 35.78 ? 192 GLY A O   1 
ATOM   1573 N N   . THR A 1 193 ? 22.090  5.709   29.816 1.00 24.93 ? 193 THR A N   1 
ATOM   1574 C CA  . THR A 1 193 ? 22.271  6.704   30.868 1.00 20.81 ? 193 THR A CA  1 
ATOM   1575 C C   . THR A 1 193 ? 21.778  6.214   32.220 1.00 31.11 ? 193 THR A C   1 
ATOM   1576 O O   . THR A 1 193 ? 22.049  6.863   33.237 1.00 34.62 ? 193 THR A O   1 
ATOM   1577 C CB  . THR A 1 193 ? 21.531  8.011   30.528 1.00 28.38 ? 193 THR A CB  1 
ATOM   1578 O OG1 . THR A 1 193 ? 20.118  7.825   30.682 1.00 30.11 ? 193 THR A OG1 1 
ATOM   1579 C CG2 . THR A 1 193 ? 21.813  8.466   29.097 1.00 9.01  ? 193 THR A CG2 1 
ATOM   1580 N N   . GLY A 1 194 ? 21.073  5.087   32.253 1.00 34.56 ? 194 GLY A N   1 
ATOM   1581 C CA  . GLY A 1 194 ? 20.534  4.534   33.472 1.00 31.73 ? 194 GLY A CA  1 
ATOM   1582 C C   . GLY A 1 194 ? 19.227  5.140   33.909 1.00 31.73 ? 194 GLY A C   1 
ATOM   1583 O O   . GLY A 1 194 ? 18.687  4.730   34.944 1.00 36.29 ? 194 GLY A O   1 
ATOM   1584 N N   . ASN A 1 195 ? 18.699  6.101   33.161 1.00 33.21 ? 195 ASN A N   1 
ATOM   1585 C CA  . ASN A 1 195 ? 17.387  6.649   33.463 1.00 37.92 ? 195 ASN A CA  1 
ATOM   1586 C C   . ASN A 1 195 ? 16.348  5.746   32.810 1.00 17.61 ? 195 ASN A C   1 
ATOM   1587 O O   . ASN A 1 195 ? 16.322  5.612   31.583 1.00 29.16 ? 195 ASN A O   1 
ATOM   1588 C CB  . ASN A 1 195 ? 17.272  8.087   32.969 1.00 29.41 ? 195 ASN A CB  1 
ATOM   1589 C CG  . ASN A 1 195 ? 15.845  8.572   32.928 1.00 35.09 ? 195 ASN A CG  1 
ATOM   1590 O OD1 . ASN A 1 195 ? 14.977  8.066   33.653 1.00 24.25 ? 195 ASN A OD1 1 
ATOM   1591 N ND2 . ASN A 1 195 ? 15.597  9.597   32.115 1.00 15.78 ? 195 ASN A ND2 1 
ATOM   1592 N N   . SER A 1 196 ? 15.505  5.114   33.633 1.00 26.38 ? 196 SER A N   1 
ATOM   1593 C CA  . SER A 1 196 ? 14.629  4.058   33.132 1.00 26.91 ? 196 SER A CA  1 
ATOM   1594 C C   . SER A 1 196 ? 13.674  4.573   32.064 1.00 30.09 ? 196 SER A C   1 
ATOM   1595 O O   . SER A 1 196 ? 13.248  3.805   31.194 1.00 27.39 ? 196 SER A O   1 
ATOM   1596 C CB  . SER A 1 196 ? 13.835  3.440   34.286 1.00 35.30 ? 196 SER A CB  1 
ATOM   1597 O OG  . SER A 1 196 ? 13.406  4.448   35.186 1.00 45.71 ? 196 SER A OG  1 
ATOM   1598 N N   . TYR A 1 197 ? 13.323  5.858   32.116 1.00 13.41 ? 197 TYR A N   1 
ATOM   1599 C CA  . TYR A 1 197 ? 12.428  6.422   31.120 1.00 9.89  ? 197 TYR A CA  1 
ATOM   1600 C C   . TYR A 1 197 ? 13.048  6.461   29.734 1.00 18.20 ? 197 TYR A C   1 
ATOM   1601 O O   . TYR A 1 197 ? 12.315  6.419   28.740 1.00 14.19 ? 197 TYR A O   1 
ATOM   1602 C CB  . TYR A 1 197 ? 12.054  7.850   31.501 1.00 22.41 ? 197 TYR A CB  1 
ATOM   1603 C CG  . TYR A 1 197 ? 11.115  8.007   32.664 1.00 19.11 ? 197 TYR A CG  1 
ATOM   1604 C CD1 . TYR A 1 197 ? 9.748   7.803   32.508 1.00 28.61 ? 197 TYR A CD1 1 
ATOM   1605 C CD2 . TYR A 1 197 ? 11.584  8.406   33.905 1.00 34.43 ? 197 TYR A CD2 1 
ATOM   1606 C CE1 . TYR A 1 197 ? 8.879   7.961   33.570 1.00 29.56 ? 197 TYR A CE1 1 
ATOM   1607 C CE2 . TYR A 1 197 ? 10.723  8.577   34.976 1.00 24.25 ? 197 TYR A CE2 1 
ATOM   1608 C CZ  . TYR A 1 197 ? 9.372   8.351   34.805 1.00 32.07 ? 197 TYR A CZ  1 
ATOM   1609 O OH  . TYR A 1 197 ? 8.508   8.518   35.868 1.00 45.94 ? 197 TYR A OH  1 
ATOM   1610 N N   . GLY A 1 198 ? 14.376  6.477   29.643 1.00 16.68 ? 198 GLY A N   1 
ATOM   1611 C CA  . GLY A 1 198 ? 15.037  6.802   28.397 1.00 19.02 ? 198 GLY A CA  1 
ATOM   1612 C C   . GLY A 1 198 ? 15.165  8.299   28.201 1.00 13.65 ? 198 GLY A C   1 
ATOM   1613 O O   . GLY A 1 198 ? 14.365  9.080   28.730 1.00 15.27 ? 198 GLY A O   1 
ATOM   1614 N N   . VAL A 1 199 ? 16.176  8.711   27.436 1.00 11.62 ? 199 VAL A N   1 
ATOM   1615 C CA  . VAL A 1 199 ? 16.283  10.104  27.035 1.00 11.37 ? 199 VAL A CA  1 
ATOM   1616 C C   . VAL A 1 199 ? 15.028  10.518  26.285 1.00 22.92 ? 199 VAL A C   1 
ATOM   1617 O O   . VAL A 1 199 ? 14.568  9.822   25.370 1.00 26.10 ? 199 VAL A O   1 
ATOM   1618 C CB  . VAL A 1 199 ? 17.559  10.298  26.206 1.00 18.26 ? 199 VAL A CB  1 
ATOM   1619 C CG1 . VAL A 1 199 ? 17.628  11.699  25.624 1.00 10.94 ? 199 VAL A CG1 1 
ATOM   1620 C CG2 . VAL A 1 199 ? 18.767  10.032  27.105 1.00 6.38  ? 199 VAL A CG2 1 
ATOM   1621 N N   . CYS A 1 200 ? 14.457  11.655  26.687 1.00 15.96 ? 200 CYS A N   1 
ATOM   1622 C CA  . CYS A 1 200 ? 13.194  12.149  26.145 1.00 11.14 ? 200 CYS A CA  1 
ATOM   1623 C C   . CYS A 1 200 ? 12.066  11.134  26.307 1.00 18.53 ? 200 CYS A C   1 
ATOM   1624 O O   . CYS A 1 200 ? 11.132  11.099  25.500 1.00 24.69 ? 200 CYS A O   1 
ATOM   1625 C CB  . CYS A 1 200 ? 13.334  12.553  24.676 1.00 11.03 ? 200 CYS A CB  1 
ATOM   1626 S SG  . CYS A 1 200 ? 14.706  13.648  24.365 1.00 36.53 ? 200 CYS A SG  1 
ATOM   1627 N N   . GLY A 1 201 ? 12.131  10.298  27.342 1.00 18.03 ? 201 GLY A N   1 
ATOM   1628 C CA  . GLY A 1 201 ? 11.059  9.337   27.528 1.00 14.64 ? 201 GLY A CA  1 
ATOM   1629 C C   . GLY A 1 201 ? 11.018  8.245   26.494 1.00 13.29 ? 201 GLY A C   1 
ATOM   1630 O O   . GLY A 1 201 ? 9.953   7.679   26.252 1.00 22.09 ? 201 GLY A O   1 
ATOM   1631 N N   . LEU A 1 202 ? 12.145  7.960   25.840 1.00 13.97 ? 202 LEU A N   1 
ATOM   1632 C CA  . LEU A 1 202 ? 12.148  7.059   24.693 1.00 17.33 ? 202 LEU A CA  1 
ATOM   1633 C C   . LEU A 1 202 ? 11.631  5.651   25.003 1.00 9.34  ? 202 LEU A C   1 
ATOM   1634 O O   . LEU A 1 202 ? 11.176  4.963   24.082 1.00 31.06 ? 202 LEU A O   1 
ATOM   1635 C CB  . LEU A 1 202 ? 13.579  6.954   24.155 1.00 18.59 ? 202 LEU A CB  1 
ATOM   1636 C CG  . LEU A 1 202 ? 13.878  6.209   22.855 1.00 22.84 ? 202 LEU A CG  1 
ATOM   1637 C CD1 . LEU A 1 202 ? 13.101  6.848   21.714 1.00 17.61 ? 202 LEU A CD1 1 
ATOM   1638 C CD2 . LEU A 1 202 ? 15.378  6.123   22.558 1.00 27.03 ? 202 LEU A CD2 1 
ATOM   1639 N N   . TYR A 1 203 ? 11.612  5.221   26.263 1.00 16.53 ? 203 TYR A N   1 
ATOM   1640 C CA  . TYR A 1 203 ? 11.192  3.861   26.586 1.00 20.64 ? 203 TYR A CA  1 
ATOM   1641 C C   . TYR A 1 203 ? 9.761   3.799   27.105 1.00 22.97 ? 203 TYR A C   1 
ATOM   1642 O O   . TYR A 1 203 ? 9.355   2.771   27.653 1.00 26.15 ? 203 TYR A O   1 
ATOM   1643 C CB  . TYR A 1 203 ? 12.133  3.240   27.627 1.00 22.98 ? 203 TYR A CB  1 
ATOM   1644 C CG  . TYR A 1 203 ? 13.604  3.346   27.307 1.00 4.31  ? 203 TYR A CG  1 
ATOM   1645 C CD1 . TYR A 1 203 ? 14.052  3.430   25.988 1.00 21.91 ? 203 TYR A CD1 1 
ATOM   1646 C CD2 . TYR A 1 203 ? 14.555  3.412   28.328 1.00 19.18 ? 203 TYR A CD2 1 
ATOM   1647 C CE1 . TYR A 1 203 ? 15.418  3.552   25.691 1.00 12.92 ? 203 TYR A CE1 1 
ATOM   1648 C CE2 . TYR A 1 203 ? 15.924  3.531   28.041 1.00 22.57 ? 203 TYR A CE2 1 
ATOM   1649 C CZ  . TYR A 1 203 ? 16.346  3.612   26.719 1.00 12.19 ? 203 TYR A CZ  1 
ATOM   1650 O OH  . TYR A 1 203 ? 17.693  3.745   26.423 1.00 9.55  ? 203 TYR A OH  1 
ATOM   1651 N N   . THR A 1 204 ? 8.980   4.866   26.923 1.00 20.05 ? 204 THR A N   1 
ATOM   1652 C CA  . THR A 1 204 ? 7.669   4.929   27.565 1.00 19.82 ? 204 THR A CA  1 
ATOM   1653 C C   . THR A 1 204 ? 6.667   3.965   26.941 1.00 19.45 ? 204 THR A C   1 
ATOM   1654 O O   . THR A 1 204 ? 5.922   3.293   27.662 1.00 22.36 ? 204 THR A O   1 
ATOM   1655 C CB  . THR A 1 204 ? 7.142   6.365   27.518 1.00 13.85 ? 204 THR A CB  1 
ATOM   1656 O OG1 . THR A 1 204 ? 8.017   7.225   28.258 1.00 23.47 ? 204 THR A OG1 1 
ATOM   1657 C CG2 . THR A 1 204 ? 5.768   6.452   28.085 1.00 11.28 ? 204 THR A CG2 1 
ATOM   1658 N N   . SER A 1 205 ? 6.635   3.857   25.615 1.00 16.06 ? 205 SER A N   1 
ATOM   1659 C CA  . SER A 1 205 ? 5.526   3.151   24.980 1.00 19.68 ? 205 SER A CA  1 
ATOM   1660 C C   . SER A 1 205 ? 5.983   2.729   23.583 1.00 24.36 ? 205 SER A C   1 
ATOM   1661 O O   . SER A 1 205 ? 5.963   3.539   22.653 1.00 21.67 ? 205 SER A O   1 
ATOM   1662 C CB  . SER A 1 205 ? 4.276   4.012   24.932 1.00 21.29 ? 205 SER A CB  1 
ATOM   1663 O OG  . SER A 1 205 ? 3.190   3.273   24.404 1.00 34.35 ? 205 SER A OG  1 
ATOM   1664 N N   . SER A 1 206 ? 6.330   1.456   23.438 1.00 12.24 ? 206 SER A N   1 
ATOM   1665 C CA  . SER A 1 206 ? 6.941   0.960   22.221 1.00 5.84  ? 206 SER A CA  1 
ATOM   1666 C C   . SER A 1 206 ? 6.173   -0.259  21.747 1.00 10.74 ? 206 SER A C   1 
ATOM   1667 O O   . SER A 1 206 ? 5.887   -1.169  22.532 1.00 29.44 ? 206 SER A O   1 
ATOM   1668 C CB  . SER A 1 206 ? 8.411   0.572   22.440 1.00 8.31  ? 206 SER A CB  1 
ATOM   1669 O OG  . SER A 1 206 ? 9.146   1.619   23.046 1.00 16.77 ? 206 SER A OG  1 
ATOM   1670 N N   . PHE A 1 207 ? 5.852   -0.273  20.457 1.00 13.54 ? 207 PHE A N   1 
ATOM   1671 C CA  . PHE A 1 207 ? 5.037   -1.309  19.851 1.00 14.49 ? 207 PHE A CA  1 
ATOM   1672 C C   . PHE A 1 207 ? 5.677   -1.700  18.533 1.00 10.98 ? 207 PHE A C   1 
ATOM   1673 O O   . PHE A 1 207 ? 6.360   -0.894  17.895 1.00 7.76  ? 207 PHE A O   1 
ATOM   1674 C CB  . PHE A 1 207 ? 3.601   -0.839  19.582 1.00 11.45 ? 207 PHE A CB  1 
ATOM   1675 C CG  . PHE A 1 207 ? 2.793   -0.610  20.821 1.00 14.74 ? 207 PHE A CG  1 
ATOM   1676 C CD1 . PHE A 1 207 ? 2.817   0.614   21.464 1.00 19.21 ? 207 PHE A CD1 1 
ATOM   1677 C CD2 . PHE A 1 207 ? 1.999   -1.616  21.335 1.00 21.49 ? 207 PHE A CD2 1 
ATOM   1678 C CE1 . PHE A 1 207 ? 2.071   0.828   22.601 1.00 17.12 ? 207 PHE A CE1 1 
ATOM   1679 C CE2 . PHE A 1 207 ? 1.253   -1.410  22.474 1.00 18.20 ? 207 PHE A CE2 1 
ATOM   1680 C CZ  . PHE A 1 207 ? 1.290   -0.187  23.107 1.00 18.15 ? 207 PHE A CZ  1 
ATOM   1681 N N   . TYR A 1 208 ? 5.434   -2.941  18.125 1.00 11.04 ? 208 TYR A N   1 
ATOM   1682 C CA  . TYR A 1 208 ? 5.902   -3.396  16.827 1.00 2.79  ? 208 TYR A CA  1 
ATOM   1683 C C   . TYR A 1 208 ? 4.873   -4.364  16.276 1.00 2.29  ? 208 TYR A C   1 
ATOM   1684 O O   . TYR A 1 208 ? 4.215   -5.070  17.046 1.00 8.75  ? 208 TYR A O   1 
ATOM   1685 C CB  . TYR A 1 208 ? 7.294   -4.045  16.899 1.00 14.68 ? 208 TYR A CB  1 
ATOM   1686 C CG  . TYR A 1 208 ? 7.434   -5.177  17.887 1.00 17.63 ? 208 TYR A CG  1 
ATOM   1687 C CD1 . TYR A 1 208 ? 7.768   -4.936  19.211 1.00 10.23 ? 208 TYR A CD1 1 
ATOM   1688 C CD2 . TYR A 1 208 ? 7.277   -6.503  17.477 1.00 20.20 ? 208 TYR A CD2 1 
ATOM   1689 C CE1 . TYR A 1 208 ? 7.920   -5.984  20.106 1.00 4.35  ? 208 TYR A CE1 1 
ATOM   1690 C CE2 . TYR A 1 208 ? 7.426   -7.549  18.367 1.00 13.30 ? 208 TYR A CE2 1 
ATOM   1691 C CZ  . TYR A 1 208 ? 7.745   -7.284  19.672 1.00 0.54  ? 208 TYR A CZ  1 
ATOM   1692 O OH  . TYR A 1 208 ? 7.878   -8.326  20.555 1.00 7.55  ? 208 TYR A OH  1 
ATOM   1693 N N   . PRO A 1 209 ? 4.754   -4.467  14.958 1.00 11.66 ? 209 PRO A N   1 
ATOM   1694 C CA  . PRO A 1 209 ? 3.825   -5.427  14.368 1.00 15.67 ? 209 PRO A CA  1 
ATOM   1695 C C   . PRO A 1 209 ? 4.380   -6.837  14.372 1.00 25.19 ? 209 PRO A C   1 
ATOM   1696 O O   . PRO A 1 209 ? 5.591   -7.064  14.368 1.00 13.14 ? 209 PRO A O   1 
ATOM   1697 C CB  . PRO A 1 209 ? 3.666   -4.910  12.934 1.00 19.64 ? 209 PRO A CB  1 
ATOM   1698 C CG  . PRO A 1 209 ? 5.014   -4.354  12.631 1.00 17.10 ? 209 PRO A CG  1 
ATOM   1699 C CD  . PRO A 1 209 ? 5.403   -3.646  13.921 1.00 10.94 ? 209 PRO A CD  1 
ATOM   1700 N N   . VAL A 1 210 ? 3.458   -7.791  14.402 1.00 14.75 ? 210 VAL A N   1 
ATOM   1701 C CA  . VAL A 1 210 ? 3.779   -9.203  14.322 1.00 19.35 ? 210 VAL A CA  1 
ATOM   1702 C C   . VAL A 1 210 ? 3.281   -9.701  12.978 1.00 19.46 ? 210 VAL A C   1 
ATOM   1703 O O   . VAL A 1 210 ? 2.124   -9.471  12.602 1.00 33.88 ? 210 VAL A O   1 
ATOM   1704 C CB  . VAL A 1 210 ? 3.094   -9.982  15.455 1.00 27.82 ? 210 VAL A CB  1 
ATOM   1705 C CG1 . VAL A 1 210 ? 3.179   -11.483 15.200 1.00 35.94 ? 210 VAL A CG1 1 
ATOM   1706 C CG2 . VAL A 1 210 ? 3.661   -9.590  16.801 1.00 22.93 ? 210 VAL A CG2 1 
ATOM   1707 N N   . LYS A 1 211 ? 4.140   -10.443 12.296 1.00 35.78 ? 211 LYS A N   1 
ATOM   1708 C CA  . LYS A 1 211 ? 3.868   -10.980 10.975 1.00 45.71 ? 211 LYS A CA  1 
ATOM   1709 C C   . LYS A 1 211 ? 4.541   -12.342 10.980 1.00 46.47 ? 211 LYS A C   1 
ATOM   1710 O O   . LYS A 1 211 ? 5.763   -12.422 11.135 1.00 33.39 ? 211 LYS A O   1 
ATOM   1711 C CB  . LYS A 1 211 ? 4.396   -10.058 9.879  1.00 26.65 ? 211 LYS A CB  1 
ATOM   1712 C CG  . LYS A 1 211 ? 3.732   -10.271 8.528  1.00 41.74 ? 211 LYS A CG  1 
ATOM   1713 C CD  . LYS A 1 211 ? 4.661   -10.791 7.476  1.00 55.10 ? 211 LYS A CD  1 
ATOM   1714 C CE  . LYS A 1 211 ? 3.999   -10.743 6.096  1.00 28.42 ? 211 LYS A CE  1 
ATOM   1715 N NZ  . LYS A 1 211 ? 2.519   -11.004 6.073  1.00 11.70 ? 211 LYS A NZ  1 
ATOM   1716 N N   . ASN A 1 212 ? 3.768   -13.403 10.802 1.00 39.08 ? 212 ASN A N   1 
ATOM   1717 C CA  . ASN A 1 212 ? 4.350   -14.733 10.825 1.00 42.92 ? 212 ASN A CA  1 
ATOM   1718 C C   . ASN A 1 212 ? 5.107   -15.024 9.536  1.00 63.60 ? 212 ASN A C   1 
ATOM   1719 O O   . ASN A 1 212 ? 6.076   -15.789 9.541  1.00 61.42 ? 212 ASN A O   1 
ATOM   1720 C CB  . ASN A 1 212 ? 3.241   -15.777 10.987 1.00 39.95 ? 212 ASN A CB  1 
ATOM   1721 C CG  . ASN A 1 212 ? 2.359   -15.521 12.189 1.00 41.41 ? 212 ASN A CG  1 
ATOM   1722 O OD1 . ASN A 1 212 ? 2.814   -15.036 13.225 1.00 25.69 ? 212 ASN A OD1 1 
ATOM   1723 N ND2 . ASN A 1 212 ? 1.066   -15.819 12.039 1.00 19.70 ? 212 ASN A ND2 1 
ATOM   1724 O OXT . ASN A 1 212 ? 4.795   -14.492 8.470  1.00 55.75 ? 212 ASN A OXT 1 
HETATM 1725 C C14 . E6D B 2 .   ? -5.128  12.594  23.027 0.74 58.66 ? 301 E6D A C14 1 
HETATM 1726 C C13 . E6D B 2 .   ? -4.710  12.628  21.558 0.74 49.91 ? 301 E6D A C13 1 
HETATM 1727 C C15 . E6D B 2 .   ? -3.639  13.685  21.309 0.74 40.12 ? 301 E6D A C15 1 
HETATM 1728 C C12 . E6D B 2 .   ? -4.264  11.260  21.039 0.74 29.57 ? 301 E6D A C12 1 
HETATM 1729 C C11 . E6D B 2 .   ? -3.181  10.592  21.869 0.74 26.51 ? 301 E6D A C11 1 
HETATM 1730 N N10 . E6D B 2 .   ? -1.915  10.565  21.164 0.74 33.60 ? 301 E6D A N10 1 
HETATM 1731 C C8  . E6D B 2 .   ? -0.890  11.384  21.437 0.74 52.30 ? 301 E6D A C8  1 
HETATM 1732 O O9  . E6D B 2 .   ? -0.917  12.234  22.312 0.74 62.43 ? 301 E6D A O9  1 
HETATM 1733 C C7  . E6D B 2 .   ? 0.355   11.159  20.569 0.74 44.59 ? 301 E6D A C7  1 
HETATM 1734 C C19 . E6D B 2 .   ? 1.540   10.783  21.467 0.74 37.21 ? 301 E6D A C19 1 
HETATM 1735 C C20 . E6D B 2 .   ? 2.110   9.391   21.191 0.74 51.53 ? 301 E6D A C20 1 
HETATM 1736 C C22 . E6D B 2 .   ? 1.732   8.446   22.330 0.74 43.03 ? 301 E6D A C22 1 
HETATM 1737 C C21 . E6D B 2 .   ? 1.608   8.840   19.858 0.74 26.32 ? 301 E6D A C21 1 
HETATM 1738 N N6  . E6D B 2 .   ? 0.695   12.298  19.748 0.74 56.77 ? 301 E6D A N6  1 
HETATM 1739 C C4  . E6D B 2 .   ? 0.215   12.397  18.501 0.74 48.83 ? 301 E6D A C4  1 
HETATM 1740 O O5  . E6D B 2 .   ? -0.523  11.545  18.037 0.74 27.87 ? 301 E6D A O5  1 
HETATM 1741 C C3  . E6D B 2 .   ? 0.630   13.622  17.674 0.74 56.55 ? 301 E6D A C3  1 
HETATM 1742 O O1  . E6D B 2 .   ? 0.565   14.795  18.433 0.74 59.49 ? 301 E6D A O1  1 
HETATM 1743 C C2  . E6D B 2 .   ? 2.045   13.387  17.113 0.74 48.31 ? 301 E6D A C2  1 
HETATM 1744 C C16 . E6D B 2 .   ? 2.421   14.410  16.066 0.74 45.01 ? 301 E6D A C16 1 
HETATM 1745 O O18 . E6D B 2 .   ? 2.115   14.321  14.905 0.74 23.21 ? 301 E6D A O18 1 
HETATM 1746 O O17 . E6D B 2 .   ? 3.128   15.426  16.542 0.74 49.78 ? 301 E6D A O17 1 
HETATM 1747 C C23 . E6D B 2 .   ? 4.233   15.896  15.741 0.74 46.07 ? 301 E6D A C23 1 
HETATM 1748 C C24 . E6D B 2 .   ? 4.336   17.398  15.853 0.74 33.21 ? 301 E6D A C24 1 
HETATM 1749 O O   . HOH C 3 .   ? -9.521  14.497  15.808 1.00 10.38 ? 401 HOH A O   1 
HETATM 1750 O O   . HOH C 3 .   ? 15.760  24.288  24.730 1.00 19.86 ? 402 HOH A O   1 
HETATM 1751 O O   . HOH C 3 .   ? 19.163  -7.388  13.566 1.00 6.39  ? 403 HOH A O   1 
HETATM 1752 O O   . HOH C 3 .   ? 11.463  -0.430  27.487 1.00 8.30  ? 404 HOH A O   1 
HETATM 1753 O O   . HOH C 3 .   ? -11.575 6.469   11.158 1.00 11.63 ? 405 HOH A O   1 
HETATM 1754 O O   . HOH C 3 .   ? 1.010   12.873  -1.122 1.00 15.47 ? 406 HOH A O   1 
HETATM 1755 O O   . HOH C 3 .   ? 14.183  19.132  24.341 1.00 14.57 ? 407 HOH A O   1 
HETATM 1756 O O   . HOH C 3 .   ? 12.061  21.536  14.169 1.00 15.60 ? 408 HOH A O   1 
HETATM 1757 O O   . HOH C 3 .   ? -3.316  -7.545  16.636 1.00 18.94 ? 409 HOH A O   1 
HETATM 1758 O O   . HOH C 3 .   ? 10.944  0.583   7.685  1.00 13.45 ? 410 HOH A O   1 
HETATM 1759 O O   . HOH C 3 .   ? 26.055  13.866  22.794 1.00 15.13 ? 411 HOH A O   1 
HETATM 1760 O O   . HOH C 3 .   ? 17.681  6.875   26.434 1.00 0.00  ? 412 HOH A O   1 
HETATM 1761 O O   . HOH C 3 .   ? -5.602  -2.183  -4.021 1.00 13.49 ? 413 HOH A O   1 
HETATM 1762 O O   . HOH C 3 .   ? 12.383  -14.680 21.699 1.00 18.59 ? 414 HOH A O   1 
HETATM 1763 O O   . HOH C 3 .   ? 16.275  -5.901  29.693 1.00 15.09 ? 415 HOH A O   1 
HETATM 1764 O O   . HOH C 3 .   ? -5.152  9.762   -0.065 1.00 8.88  ? 416 HOH A O   1 
HETATM 1765 O O   . HOH C 3 .   ? 12.829  23.936  24.913 1.00 12.22 ? 417 HOH A O   1 
HETATM 1766 O O   . HOH C 3 .   ? 15.628  -1.768  0.164  1.00 15.80 ? 418 HOH A O   1 
HETATM 1767 O O   . HOH C 3 .   ? 4.488   3.443   20.349 1.00 8.78  ? 419 HOH A O   1 
HETATM 1768 O O   . HOH C 3 .   ? 24.644  3.362   11.520 1.00 10.49 ? 420 HOH A O   1 
HETATM 1769 O O   . HOH C 3 .   ? 21.351  9.505   9.219  1.00 1.55  ? 421 HOH A O   1 
HETATM 1770 O O   . HOH C 3 .   ? 12.486  13.827  9.829  1.00 9.92  ? 422 HOH A O   1 
HETATM 1771 O O   . HOH C 3 .   ? 26.364  5.753   13.995 1.00 9.30  ? 423 HOH A O   1 
HETATM 1772 O O   . HOH C 3 .   ? 8.091   5.821   5.904  1.00 7.93  ? 424 HOH A O   1 
HETATM 1773 O O   . HOH C 3 .   ? 11.547  15.839  3.254  1.00 6.15  ? 425 HOH A O   1 
HETATM 1774 O O   . HOH C 3 .   ? 15.443  8.783   3.159  1.00 9.40  ? 426 HOH A O   1 
HETATM 1775 O O   . HOH C 3 .   ? 22.426  16.908  23.119 1.00 18.83 ? 427 HOH A O   1 
HETATM 1776 O O   . HOH C 3 .   ? 25.867  -2.109  21.563 1.00 9.56  ? 428 HOH A O   1 
HETATM 1777 O O   . HOH C 3 .   ? -2.213  -6.885  20.962 1.00 6.64  ? 429 HOH A O   1 
HETATM 1778 O O   . HOH C 3 .   ? -11.527 -3.625  16.244 1.00 28.84 ? 430 HOH A O   1 
HETATM 1779 O O   B HOH C 3 .   ? 0.431   3.412   21.702 1.00 21.30 ? 431 HOH A O   1 
HETATM 1780 O O   . HOH C 3 .   ? 7.983   8.150   9.112  1.00 3.18  ? 432 HOH A O   1 
HETATM 1781 O O   . HOH C 3 .   ? 8.547   -15.858 6.309  1.00 20.74 ? 433 HOH A O   1 
# 
