data_9NBN
# 
_entry.id   9NBN 
# 
_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   9NBN         pdb_00009nbn 10.2210/pdb9nbn/pdb 
WWPDB D_1000292990 ?            ?                   
# 
_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                        9NBN 
_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           N 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB 'SSX structure of papain complexed with E-64'  9NBF unspecified 
PDB 'SSX structure of papain complexed with E-64C' 9NBJ unspecified 
PDB 'SSX structure of papain complexed with E-64D' 9NBK unspecified 
# 
_pdbx_contact_author.id                 3 
_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.W.'  1 0000-0002-5092-0265 
'Summers, J.A.'   2 ?                   
'Wakatsuki, S.'   3 ?                   
'Rodriguez, J.A.' 4 0000-0002-0248-4964 
# 
_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 '(3S)-4-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-4-oxobutanoic acid' 246.260   1  ?        ? ? 
? 
3 water       nat water                                                                                 18.015    76 ?        ? ? 
? 
# 
_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 '(3S)-4-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-4-oxobutanoic acid' A1BWS 
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 
A1BWS non-polymer         . '(3S)-4-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-4-oxobutanoic acid' ? 
'C10 H18 N2 O5'  246.260 
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 
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 
# 
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 A1BWS 1  301 301 A1BWS E64 A . 
C 3 HOH   1  401 83  HOH   HOH A . 
C 3 HOH   2  402 13  HOH   HOH A . 
C 3 HOH   3  403 67  HOH   HOH A . 
C 3 HOH   4  404 80  HOH   HOH A . 
C 3 HOH   5  405 23  HOH   HOH A . 
C 3 HOH   6  406 35  HOH   HOH A . 
C 3 HOH   7  407 5   HOH   HOH A . 
C 3 HOH   8  408 71  HOH   HOH A . 
C 3 HOH   9  409 65  HOH   HOH A . 
C 3 HOH   10 410 11  HOH   HOH A . 
C 3 HOH   11 411 30  HOH   HOH A . 
C 3 HOH   12 412 74  HOH   HOH A . 
C 3 HOH   13 413 56  HOH   HOH A . 
C 3 HOH   14 414 45  HOH   HOH A . 
C 3 HOH   15 415 72  HOH   HOH A . 
C 3 HOH   16 416 26  HOH   HOH A . 
C 3 HOH   17 417 15  HOH   HOH A . 
C 3 HOH   18 418 1   HOH   HOH A . 
C 3 HOH   19 419 58  HOH   HOH A . 
C 3 HOH   20 420 18  HOH   HOH A . 
C 3 HOH   21 421 12  HOH   HOH A . 
C 3 HOH   22 422 34  HOH   HOH A . 
C 3 HOH   23 423 63  HOH   HOH A . 
C 3 HOH   24 424 60  HOH   HOH A . 
C 3 HOH   25 425 16  HOH   HOH A . 
C 3 HOH   26 426 25  HOH   HOH A . 
C 3 HOH   27 427 10  HOH   HOH A . 
C 3 HOH   28 428 42  HOH   HOH A . 
C 3 HOH   29 429 59  HOH   HOH A . 
C 3 HOH   30 430 9   HOH   HOH A . 
C 3 HOH   31 431 7   HOH   HOH A . 
C 3 HOH   32 432 4   HOH   HOH A . 
C 3 HOH   33 433 68  HOH   HOH A . 
C 3 HOH   34 434 57  HOH   HOH A . 
C 3 HOH   35 435 79  HOH   HOH A . 
C 3 HOH   36 436 3   HOH   HOH A . 
C 3 HOH   37 437 29  HOH   HOH A . 
C 3 HOH   38 438 61  HOH   HOH A . 
C 3 HOH   39 439 38  HOH   HOH A . 
C 3 HOH   40 440 82  HOH   HOH A . 
C 3 HOH   41 441 33  HOH   HOH A . 
C 3 HOH   42 442 62  HOH   HOH A . 
C 3 HOH   43 443 49  HOH   HOH A . 
C 3 HOH   44 444 39  HOH   HOH A . 
C 3 HOH   45 445 64  HOH   HOH A . 
C 3 HOH   46 446 48  HOH   HOH A . 
C 3 HOH   47 447 31  HOH   HOH A . 
C 3 HOH   48 448 27  HOH   HOH A . 
C 3 HOH   49 449 47  HOH   HOH A . 
C 3 HOH   50 450 66  HOH   HOH A . 
C 3 HOH   51 451 51  HOH   HOH A . 
C 3 HOH   52 452 36  HOH   HOH A . 
C 3 HOH   53 453 40  HOH   HOH A . 
C 3 HOH   54 454 43  HOH   HOH A . 
C 3 HOH   55 455 54  HOH   HOH A . 
C 3 HOH   56 456 14  HOH   HOH A . 
C 3 HOH   57 457 53  HOH   HOH A . 
C 3 HOH   58 458 69  HOH   HOH A . 
C 3 HOH   59 459 76  HOH   HOH A . 
C 3 HOH   60 460 8   HOH   HOH A . 
C 3 HOH   61 461 20  HOH   HOH A . 
C 3 HOH   62 462 70  HOH   HOH A . 
C 3 HOH   63 463 50  HOH   HOH A . 
C 3 HOH   64 464 44  HOH   HOH A . 
C 3 HOH   65 465 24  HOH   HOH A . 
C 3 HOH   66 466 17  HOH   HOH A . 
C 3 HOH   67 467 75  HOH   HOH A . 
C 3 HOH   68 468 52  HOH   HOH A . 
C 3 HOH   69 469 55  HOH   HOH A . 
C 3 HOH   70 470 6   HOH   HOH A . 
C 3 HOH   71 471 28  HOH   HOH A . 
C 3 HOH   72 472 77  HOH   HOH A . 
C 3 HOH   73 473 32  HOH   HOH A . 
C 3 HOH   74 474 46  HOH   HOH A . 
C 3 HOH   75 475 78  HOH   HOH A . 
C 3 HOH   76 476 19  HOH   HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? 1.20.1_4487 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? .           2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .           4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9NBN 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     42.500 
_cell.length_a_esd                 ? 
_cell.length_b                     48.900 
_cell.length_b_esd                 ? 
_cell.length_c                     101.500 
_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                         9NBN 
_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                   9NBN 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.25 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          45.30 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '889 mM NaCl, 58% methanol in reservoir. 66% methanol in sitting drop.' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     298 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   Y 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'PSI JUNGFRAU 4M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-11-05 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.072 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE ID29' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.072 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID29 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9NBN 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.8 
_reflns.d_resolution_low                               44.05 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     37928 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                121.74 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          2.6 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.898 
_reflns.pdbx_CC_star                                   0.973 
_reflns.pdbx_R_split                                   0.304 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.80 
_reflns_shell.d_res_low                                     1.83 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.5 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1877 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.084 
_reflns_shell.pdbx_CC_star                                  0.395 
_reflns_shell.pdbx_R_split                                  2.392 
_reflns_shell.percent_possible_all                          100 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9NBN 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.80 
_refine.ls_d_res_low                             44.05 
_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                     20268 
_refine.ls_number_reflns_R_free                  1014 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.90 
_refine.ls_percent_reflns_R_free                 5.00 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1961 
_refine.ls_R_factor_R_free                       0.2377 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1940 
_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                          1.33 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_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                 25.05 
_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                            0.25 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.80 
_refine_hist.d_res_low                        44.05 
_refine_hist.number_atoms_solvent             76 
_refine_hist.number_atoms_total               1748 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1655 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         17 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.008 ? 1747 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.959 ? 2378 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 6.414 ? 252  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.061 ? 238  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.007 ? 315  ? 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 
'X-RAY DIFFRACTION' 1.80 1.89  . . 141 2684 100.00 . . . . 0.3364 . . . . . . . . . . . . . . . 0.3421 
'X-RAY DIFFRACTION' 1.90 2.01  . . 143 2717 100.00 . . . . 0.3121 . . . . . . . . . . . . . . . 0.3209 
'X-RAY DIFFRACTION' 2.01 2.17  . . 142 2696 100.00 . . . . 0.2466 . . . . . . . . . . . . . . . 0.3018 
'X-RAY DIFFRACTION' 2.17 2.39  . . 144 2734 100.00 . . . . 0.2099 . . . . . . . . . . . . . . . 0.2590 
'X-RAY DIFFRACTION' 2.39 2.73  . . 144 2742 100.00 . . . . 0.2044 . . . . . . . . . . . . . . . 0.2656 
'X-RAY DIFFRACTION' 2.73 3.44  . . 146 2774 100.00 . . . . 0.1791 . . . . . . . . . . . . . . . 0.2530 
'X-RAY DIFFRACTION' 3.44 44.05 . . 154 2907 100.00 . . . . 0.1601 . . . . . . . . . . . . . . . 0.1869 
# 
_struct.entry_id                     9NBN 
_struct.title                        
'Serial synchrotron X-ray diffraction structure of papain microcrystals soaked with a mixture of E-64, E-64C, and 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        9NBN 
_struct_keywords.text            'Inhibitor, Complex, Cocktail, Serial, HYDROLASE' 
_struct_keywords.pdbx_keywords   HYDROLASE 
# 
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              9NBN 
_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 
# 
_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_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 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 SER A 97  ? GLY A 101 ? SER A 97  GLY A 101 5 ? 5  
HELX_P HELX_P6 AA6 ASN A 117 ? GLN A 128 ? ASN A 117 GLN A 128 1 ? 12 
HELX_P HELX_P7 AA7 GLY A 138 ? LEU A 143 ? GLY A 138 LEU A 143 1 ? 6  
HELX_P HELX_P8 AA8 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 ? ? ? ? ? ? ? 2.012 ? ? 
disulf2 disulf ?    ? A CYS 56  SG ? ? ? 1_555 A CYS   95  SG ? ? A CYS 56  A CYS   95  1_555 ? ? ? ? ? ? ? 2.048 ? ? 
disulf3 disulf ?    ? A CYS 153 SG ? ? ? 1_555 A CYS   200 SG ? ? A CYS 153 A CYS   200 1_555 ? ? ? ? ? ? ? 2.045 ? ? 
covale1 covale none ? A CYS 25  SG ? ? ? 1_555 B A1BWS .   C2 ? ? A CYS 25  A A1BWS 301 1_555 ? ? ? ? ? ? ? 1.799 ? ? 
# 
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 A1BWS B .   ? CYS A 25  ? A1BWS A 301 ? 1_555 CYS A 25  ? 1_555 C2 SG CYS 1 A1BWS 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       4.43 
# 
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 ? GLY A 167 ? HIS A 159 GLY A 167 
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 ? GLY A 167 ? HIS A 159 GLY A 167 
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                   9NBN 
_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  ? ? -106.79 -68.88 
2 1 GLN A 128 ? ? 178.15  160.85 
3 1 ASP A 158 ? ? -152.48 2.26   
# 
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 
A1BWS C1   C N N 1   
A1BWS O1   O N N 2   
A1BWS O2   O N N 3   
A1BWS C2   C N N 4   
A1BWS C3   C N S 5   
A1BWS O3   O N N 6   
A1BWS C4   C N N 7   
A1BWS O4   O N N 8   
A1BWS N1   N N N 9   
A1BWS C6   C N S 10  
A1BWS C7   C N N 11  
A1BWS C8   C N N 12  
A1BWS C9   C N N 13  
A1BWS C10  C N N 14  
A1BWS C11  C N N 15  
A1BWS O5   O N N 16  
A1BWS N2   N N N 17  
A1BWS H1   H N N 18  
A1BWS H2   H N N 19  
A1BWS H3   H N N 20  
A1BWS H4   H N N 21  
A1BWS H5   H N N 22  
A1BWS H6   H N N 23  
A1BWS H7   H N N 24  
A1BWS H8   H N N 25  
A1BWS H9   H N N 26  
A1BWS H10  H N N 27  
A1BWS H11  H N N 28  
A1BWS H12  H N N 29  
A1BWS H13  H N N 30  
A1BWS H14  H N N 31  
A1BWS H15  H N N 32  
A1BWS H16  H N N 33  
A1BWS H17  H N N 34  
A1BWS H18  H N N 35  
ALA   N    N N N 36  
ALA   CA   C N S 37  
ALA   C    C N N 38  
ALA   O    O N N 39  
ALA   CB   C N N 40  
ALA   OXT  O N N 41  
ALA   H    H N N 42  
ALA   H2   H N N 43  
ALA   HA   H N N 44  
ALA   HB1  H N N 45  
ALA   HB2  H N N 46  
ALA   HB3  H N N 47  
ALA   HXT  H N N 48  
ARG   N    N N N 49  
ARG   CA   C N S 50  
ARG   C    C N N 51  
ARG   O    O N N 52  
ARG   CB   C N N 53  
ARG   CG   C N N 54  
ARG   CD   C N N 55  
ARG   NE   N N N 56  
ARG   CZ   C N N 57  
ARG   NH1  N N N 58  
ARG   NH2  N N N 59  
ARG   OXT  O N N 60  
ARG   H    H N N 61  
ARG   H2   H N N 62  
ARG   HA   H N N 63  
ARG   HB2  H N N 64  
ARG   HB3  H N N 65  
ARG   HG2  H N N 66  
ARG   HG3  H N N 67  
ARG   HD2  H N N 68  
ARG   HD3  H N N 69  
ARG   HE   H N N 70  
ARG   HH11 H N N 71  
ARG   HH12 H N N 72  
ARG   HH21 H N N 73  
ARG   HH22 H N N 74  
ARG   HXT  H N N 75  
ASN   N    N N N 76  
ASN   CA   C N S 77  
ASN   C    C N N 78  
ASN   O    O N N 79  
ASN   CB   C N N 80  
ASN   CG   C N N 81  
ASN   OD1  O N N 82  
ASN   ND2  N N N 83  
ASN   OXT  O N N 84  
ASN   H    H N N 85  
ASN   H2   H N N 86  
ASN   HA   H N N 87  
ASN   HB2  H N N 88  
ASN   HB3  H N N 89  
ASN   HD21 H N N 90  
ASN   HD22 H N N 91  
ASN   HXT  H N N 92  
ASP   N    N N N 93  
ASP   CA   C N S 94  
ASP   C    C N N 95  
ASP   O    O N N 96  
ASP   CB   C N N 97  
ASP   CG   C N N 98  
ASP   OD1  O N N 99  
ASP   OD2  O N N 100 
ASP   OXT  O N N 101 
ASP   H    H N N 102 
ASP   H2   H N N 103 
ASP   HA   H N N 104 
ASP   HB2  H N N 105 
ASP   HB3  H N N 106 
ASP   HD2  H N N 107 
ASP   HXT  H N N 108 
CYS   N    N N N 109 
CYS   CA   C N R 110 
CYS   C    C N N 111 
CYS   O    O N N 112 
CYS   CB   C N N 113 
CYS   SG   S N N 114 
CYS   OXT  O N N 115 
CYS   H    H N N 116 
CYS   H2   H N N 117 
CYS   HA   H N N 118 
CYS   HB2  H N N 119 
CYS   HB3  H N N 120 
CYS   HG   H N N 121 
CYS   HXT  H N N 122 
GLN   N    N N N 123 
GLN   CA   C N S 124 
GLN   C    C N N 125 
GLN   O    O N N 126 
GLN   CB   C N N 127 
GLN   CG   C N N 128 
GLN   CD   C N N 129 
GLN   OE1  O N N 130 
GLN   NE2  N N N 131 
GLN   OXT  O N N 132 
GLN   H    H N N 133 
GLN   H2   H N N 134 
GLN   HA   H N N 135 
GLN   HB2  H N N 136 
GLN   HB3  H N N 137 
GLN   HG2  H N N 138 
GLN   HG3  H N N 139 
GLN   HE21 H N N 140 
GLN   HE22 H N N 141 
GLN   HXT  H N N 142 
GLU   N    N N N 143 
GLU   CA   C N S 144 
GLU   C    C N N 145 
GLU   O    O N N 146 
GLU   CB   C N N 147 
GLU   CG   C N N 148 
GLU   CD   C N N 149 
GLU   OE1  O N N 150 
GLU   OE2  O N N 151 
GLU   OXT  O N N 152 
GLU   H    H N N 153 
GLU   H2   H N N 154 
GLU   HA   H N N 155 
GLU   HB2  H N N 156 
GLU   HB3  H N N 157 
GLU   HG2  H N N 158 
GLU   HG3  H N N 159 
GLU   HE2  H N N 160 
GLU   HXT  H N N 161 
GLY   N    N N N 162 
GLY   CA   C N N 163 
GLY   C    C N N 164 
GLY   O    O N N 165 
GLY   OXT  O N N 166 
GLY   H    H N N 167 
GLY   H2   H N N 168 
GLY   HA2  H N N 169 
GLY   HA3  H N N 170 
GLY   HXT  H N N 171 
HIS   N    N N N 172 
HIS   CA   C N S 173 
HIS   C    C N N 174 
HIS   O    O N N 175 
HIS   CB   C N N 176 
HIS   CG   C Y N 177 
HIS   ND1  N Y N 178 
HIS   CD2  C Y N 179 
HIS   CE1  C Y N 180 
HIS   NE2  N Y N 181 
HIS   OXT  O N N 182 
HIS   H    H N N 183 
HIS   H2   H N N 184 
HIS   HA   H N N 185 
HIS   HB2  H N N 186 
HIS   HB3  H N N 187 
HIS   HD1  H N N 188 
HIS   HD2  H N N 189 
HIS   HE1  H N N 190 
HIS   HE2  H N N 191 
HIS   HXT  H N N 192 
HOH   O    O N N 193 
HOH   H1   H N N 194 
HOH   H2   H N N 195 
ILE   N    N N N 196 
ILE   CA   C N S 197 
ILE   C    C N N 198 
ILE   O    O N N 199 
ILE   CB   C N S 200 
ILE   CG1  C N N 201 
ILE   CG2  C N N 202 
ILE   CD1  C N N 203 
ILE   OXT  O N N 204 
ILE   H    H N N 205 
ILE   H2   H N N 206 
ILE   HA   H N N 207 
ILE   HB   H N N 208 
ILE   HG12 H N N 209 
ILE   HG13 H N N 210 
ILE   HG21 H N N 211 
ILE   HG22 H N N 212 
ILE   HG23 H N N 213 
ILE   HD11 H N N 214 
ILE   HD12 H N N 215 
ILE   HD13 H N N 216 
ILE   HXT  H N N 217 
LEU   N    N N N 218 
LEU   CA   C N S 219 
LEU   C    C N N 220 
LEU   O    O N N 221 
LEU   CB   C N N 222 
LEU   CG   C N N 223 
LEU   CD1  C N N 224 
LEU   CD2  C N N 225 
LEU   OXT  O N N 226 
LEU   H    H N N 227 
LEU   H2   H N N 228 
LEU   HA   H N N 229 
LEU   HB2  H N N 230 
LEU   HB3  H N N 231 
LEU   HG   H N N 232 
LEU   HD11 H N N 233 
LEU   HD12 H N N 234 
LEU   HD13 H N N 235 
LEU   HD21 H N N 236 
LEU   HD22 H N N 237 
LEU   HD23 H N N 238 
LEU   HXT  H N N 239 
LYS   N    N N N 240 
LYS   CA   C N S 241 
LYS   C    C N N 242 
LYS   O    O N N 243 
LYS   CB   C N N 244 
LYS   CG   C N N 245 
LYS   CD   C N N 246 
LYS   CE   C N N 247 
LYS   NZ   N N N 248 
LYS   OXT  O N N 249 
LYS   H    H N N 250 
LYS   H2   H N N 251 
LYS   HA   H N N 252 
LYS   HB2  H N N 253 
LYS   HB3  H N N 254 
LYS   HG2  H N N 255 
LYS   HG3  H N N 256 
LYS   HD2  H N N 257 
LYS   HD3  H N N 258 
LYS   HE2  H N N 259 
LYS   HE3  H N N 260 
LYS   HZ1  H N N 261 
LYS   HZ2  H N N 262 
LYS   HZ3  H N N 263 
LYS   HXT  H N N 264 
PHE   N    N N N 265 
PHE   CA   C N S 266 
PHE   C    C N N 267 
PHE   O    O N N 268 
PHE   CB   C N N 269 
PHE   CG   C Y N 270 
PHE   CD1  C Y N 271 
PHE   CD2  C Y N 272 
PHE   CE1  C Y N 273 
PHE   CE2  C Y N 274 
PHE   CZ   C Y N 275 
PHE   OXT  O N N 276 
PHE   H    H N N 277 
PHE   H2   H N N 278 
PHE   HA   H N N 279 
PHE   HB2  H N N 280 
PHE   HB3  H N N 281 
PHE   HD1  H N N 282 
PHE   HD2  H N N 283 
PHE   HE1  H N N 284 
PHE   HE2  H N N 285 
PHE   HZ   H N N 286 
PHE   HXT  H N N 287 
PRO   N    N N N 288 
PRO   CA   C N S 289 
PRO   C    C N N 290 
PRO   O    O N N 291 
PRO   CB   C N N 292 
PRO   CG   C N N 293 
PRO   CD   C N N 294 
PRO   OXT  O N N 295 
PRO   H    H N N 296 
PRO   HA   H N N 297 
PRO   HB2  H N N 298 
PRO   HB3  H N N 299 
PRO   HG2  H N N 300 
PRO   HG3  H N N 301 
PRO   HD2  H N N 302 
PRO   HD3  H N N 303 
PRO   HXT  H N N 304 
SER   N    N N N 305 
SER   CA   C N S 306 
SER   C    C N N 307 
SER   O    O N N 308 
SER   CB   C N N 309 
SER   OG   O N N 310 
SER   OXT  O N N 311 
SER   H    H N N 312 
SER   H2   H N N 313 
SER   HA   H N N 314 
SER   HB2  H N N 315 
SER   HB3  H N N 316 
SER   HG   H N N 317 
SER   HXT  H N N 318 
THR   N    N N N 319 
THR   CA   C N S 320 
THR   C    C N N 321 
THR   O    O N N 322 
THR   CB   C N R 323 
THR   OG1  O N N 324 
THR   CG2  C N N 325 
THR   OXT  O N N 326 
THR   H    H N N 327 
THR   H2   H N N 328 
THR   HA   H N N 329 
THR   HB   H N N 330 
THR   HG1  H N N 331 
THR   HG21 H N N 332 
THR   HG22 H N N 333 
THR   HG23 H N N 334 
THR   HXT  H N N 335 
TRP   N    N N N 336 
TRP   CA   C N S 337 
TRP   C    C N N 338 
TRP   O    O N N 339 
TRP   CB   C N N 340 
TRP   CG   C Y N 341 
TRP   CD1  C Y N 342 
TRP   CD2  C Y N 343 
TRP   NE1  N Y N 344 
TRP   CE2  C Y N 345 
TRP   CE3  C Y N 346 
TRP   CZ2  C Y N 347 
TRP   CZ3  C Y N 348 
TRP   CH2  C Y N 349 
TRP   OXT  O N N 350 
TRP   H    H N N 351 
TRP   H2   H N N 352 
TRP   HA   H N N 353 
TRP   HB2  H N N 354 
TRP   HB3  H N N 355 
TRP   HD1  H N N 356 
TRP   HE1  H N N 357 
TRP   HE3  H N N 358 
TRP   HZ2  H N N 359 
TRP   HZ3  H N N 360 
TRP   HH2  H N N 361 
TRP   HXT  H N N 362 
TYR   N    N N N 363 
TYR   CA   C N S 364 
TYR   C    C N N 365 
TYR   O    O N N 366 
TYR   CB   C N N 367 
TYR   CG   C Y N 368 
TYR   CD1  C Y N 369 
TYR   CD2  C Y N 370 
TYR   CE1  C Y N 371 
TYR   CE2  C Y N 372 
TYR   CZ   C Y N 373 
TYR   OH   O N N 374 
TYR   OXT  O N N 375 
TYR   H    H N N 376 
TYR   H2   H N N 377 
TYR   HA   H N N 378 
TYR   HB2  H N N 379 
TYR   HB3  H N N 380 
TYR   HD1  H N N 381 
TYR   HD2  H N N 382 
TYR   HE1  H N N 383 
TYR   HE2  H N N 384 
TYR   HH   H N N 385 
TYR   HXT  H N N 386 
VAL   N    N N N 387 
VAL   CA   C N S 388 
VAL   C    C N N 389 
VAL   O    O N N 390 
VAL   CB   C N N 391 
VAL   CG1  C N N 392 
VAL   CG2  C N N 393 
VAL   OXT  O N N 394 
VAL   H    H N N 395 
VAL   H2   H N N 396 
VAL   HA   H N N 397 
VAL   HB   H N N 398 
VAL   HG11 H N N 399 
VAL   HG12 H N N 400 
VAL   HG13 H N N 401 
VAL   HG21 H N N 402 
VAL   HG22 H N N 403 
VAL   HG23 H N N 404 
VAL   HXT  H N N 405 
# 
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 
A1BWS O1  C1   doub N N 1   
A1BWS C1  O2   sing N N 2   
A1BWS C1  C2   sing N N 3   
A1BWS C2  C3   sing N N 4   
A1BWS C3  O3   sing N N 5   
A1BWS C3  C4   sing N N 6   
A1BWS O4  C4   doub N N 7   
A1BWS C4  N1   sing N N 8   
A1BWS N1  C6   sing N N 9   
A1BWS C9  C8   sing N N 10  
A1BWS C6  C11  sing N N 11  
A1BWS C6  C7   sing N N 12  
A1BWS C8  C7   sing N N 13  
A1BWS C8  C10  sing N N 14  
A1BWS C11 N2   sing N N 15  
A1BWS C11 O5   doub N N 16  
A1BWS O2  H1   sing N N 17  
A1BWS C2  H2   sing N N 18  
A1BWS C2  H3   sing N N 19  
A1BWS C3  H4   sing N N 20  
A1BWS O3  H5   sing N N 21  
A1BWS N1  H6   sing N N 22  
A1BWS C6  H7   sing N N 23  
A1BWS C7  H8   sing N N 24  
A1BWS C7  H9   sing N N 25  
A1BWS C8  H10  sing N N 26  
A1BWS C9  H11  sing N N 27  
A1BWS C9  H12  sing N N 28  
A1BWS C9  H13  sing N N 29  
A1BWS C10 H14  sing N N 30  
A1BWS C10 H15  sing N N 31  
A1BWS C10 H16  sing N N 32  
A1BWS N2  H17  sing N N 33  
A1BWS N2  H18  sing N N 34  
ALA   N   CA   sing N N 35  
ALA   N   H    sing N N 36  
ALA   N   H2   sing N N 37  
ALA   CA  C    sing N N 38  
ALA   CA  CB   sing N N 39  
ALA   CA  HA   sing N N 40  
ALA   C   O    doub N N 41  
ALA   C   OXT  sing N N 42  
ALA   CB  HB1  sing N N 43  
ALA   CB  HB2  sing N N 44  
ALA   CB  HB3  sing N N 45  
ALA   OXT HXT  sing N N 46  
ARG   N   CA   sing N N 47  
ARG   N   H    sing N N 48  
ARG   N   H2   sing N N 49  
ARG   CA  C    sing N N 50  
ARG   CA  CB   sing N N 51  
ARG   CA  HA   sing N N 52  
ARG   C   O    doub N N 53  
ARG   C   OXT  sing N N 54  
ARG   CB  CG   sing N N 55  
ARG   CB  HB2  sing N N 56  
ARG   CB  HB3  sing N N 57  
ARG   CG  CD   sing N N 58  
ARG   CG  HG2  sing N N 59  
ARG   CG  HG3  sing N N 60  
ARG   CD  NE   sing N N 61  
ARG   CD  HD2  sing N N 62  
ARG   CD  HD3  sing N N 63  
ARG   NE  CZ   sing N N 64  
ARG   NE  HE   sing N N 65  
ARG   CZ  NH1  sing N N 66  
ARG   CZ  NH2  doub N N 67  
ARG   NH1 HH11 sing N N 68  
ARG   NH1 HH12 sing N N 69  
ARG   NH2 HH21 sing N N 70  
ARG   NH2 HH22 sing N N 71  
ARG   OXT HXT  sing N N 72  
ASN   N   CA   sing N N 73  
ASN   N   H    sing N N 74  
ASN   N   H2   sing N N 75  
ASN   CA  C    sing N N 76  
ASN   CA  CB   sing N N 77  
ASN   CA  HA   sing N N 78  
ASN   C   O    doub N N 79  
ASN   C   OXT  sing N N 80  
ASN   CB  CG   sing N N 81  
ASN   CB  HB2  sing N N 82  
ASN   CB  HB3  sing N N 83  
ASN   CG  OD1  doub N N 84  
ASN   CG  ND2  sing N N 85  
ASN   ND2 HD21 sing N N 86  
ASN   ND2 HD22 sing N N 87  
ASN   OXT HXT  sing N N 88  
ASP   N   CA   sing N N 89  
ASP   N   H    sing N N 90  
ASP   N   H2   sing N N 91  
ASP   CA  C    sing N N 92  
ASP   CA  CB   sing N N 93  
ASP   CA  HA   sing N N 94  
ASP   C   O    doub N N 95  
ASP   C   OXT  sing N N 96  
ASP   CB  CG   sing N N 97  
ASP   CB  HB2  sing N N 98  
ASP   CB  HB3  sing N N 99  
ASP   CG  OD1  doub N N 100 
ASP   CG  OD2  sing N N 101 
ASP   OD2 HD2  sing N N 102 
ASP   OXT HXT  sing N N 103 
CYS   N   CA   sing N N 104 
CYS   N   H    sing N N 105 
CYS   N   H2   sing N N 106 
CYS   CA  C    sing N N 107 
CYS   CA  CB   sing N N 108 
CYS   CA  HA   sing N N 109 
CYS   C   O    doub N N 110 
CYS   C   OXT  sing N N 111 
CYS   CB  SG   sing N N 112 
CYS   CB  HB2  sing N N 113 
CYS   CB  HB3  sing N N 114 
CYS   SG  HG   sing N N 115 
CYS   OXT HXT  sing N N 116 
GLN   N   CA   sing N N 117 
GLN   N   H    sing N N 118 
GLN   N   H2   sing N N 119 
GLN   CA  C    sing N N 120 
GLN   CA  CB   sing N N 121 
GLN   CA  HA   sing N N 122 
GLN   C   O    doub N N 123 
GLN   C   OXT  sing N N 124 
GLN   CB  CG   sing N N 125 
GLN   CB  HB2  sing N N 126 
GLN   CB  HB3  sing N N 127 
GLN   CG  CD   sing N N 128 
GLN   CG  HG2  sing N N 129 
GLN   CG  HG3  sing N N 130 
GLN   CD  OE1  doub N N 131 
GLN   CD  NE2  sing N N 132 
GLN   NE2 HE21 sing N N 133 
GLN   NE2 HE22 sing N N 134 
GLN   OXT HXT  sing N N 135 
GLU   N   CA   sing N N 136 
GLU   N   H    sing N N 137 
GLU   N   H2   sing N N 138 
GLU   CA  C    sing N N 139 
GLU   CA  CB   sing N N 140 
GLU   CA  HA   sing N N 141 
GLU   C   O    doub N N 142 
GLU   C   OXT  sing N N 143 
GLU   CB  CG   sing N N 144 
GLU   CB  HB2  sing N N 145 
GLU   CB  HB3  sing N N 146 
GLU   CG  CD   sing N N 147 
GLU   CG  HG2  sing N N 148 
GLU   CG  HG3  sing N N 149 
GLU   CD  OE1  doub N N 150 
GLU   CD  OE2  sing N N 151 
GLU   OE2 HE2  sing N N 152 
GLU   OXT HXT  sing N N 153 
GLY   N   CA   sing N N 154 
GLY   N   H    sing N N 155 
GLY   N   H2   sing N N 156 
GLY   CA  C    sing N N 157 
GLY   CA  HA2  sing N N 158 
GLY   CA  HA3  sing N N 159 
GLY   C   O    doub N N 160 
GLY   C   OXT  sing N N 161 
GLY   OXT HXT  sing N N 162 
HIS   N   CA   sing N N 163 
HIS   N   H    sing N N 164 
HIS   N   H2   sing N N 165 
HIS   CA  C    sing N N 166 
HIS   CA  CB   sing N N 167 
HIS   CA  HA   sing N N 168 
HIS   C   O    doub N N 169 
HIS   C   OXT  sing N N 170 
HIS   CB  CG   sing N N 171 
HIS   CB  HB2  sing N N 172 
HIS   CB  HB3  sing N N 173 
HIS   CG  ND1  sing Y N 174 
HIS   CG  CD2  doub Y N 175 
HIS   ND1 CE1  doub Y N 176 
HIS   ND1 HD1  sing N N 177 
HIS   CD2 NE2  sing Y N 178 
HIS   CD2 HD2  sing N N 179 
HIS   CE1 NE2  sing Y N 180 
HIS   CE1 HE1  sing N N 181 
HIS   NE2 HE2  sing N N 182 
HIS   OXT HXT  sing N N 183 
HOH   O   H1   sing N N 184 
HOH   O   H2   sing N N 185 
ILE   N   CA   sing N N 186 
ILE   N   H    sing N N 187 
ILE   N   H2   sing N N 188 
ILE   CA  C    sing N N 189 
ILE   CA  CB   sing N N 190 
ILE   CA  HA   sing N N 191 
ILE   C   O    doub N N 192 
ILE   C   OXT  sing N N 193 
ILE   CB  CG1  sing N N 194 
ILE   CB  CG2  sing N N 195 
ILE   CB  HB   sing N N 196 
ILE   CG1 CD1  sing N N 197 
ILE   CG1 HG12 sing N N 198 
ILE   CG1 HG13 sing N N 199 
ILE   CG2 HG21 sing N N 200 
ILE   CG2 HG22 sing N N 201 
ILE   CG2 HG23 sing N N 202 
ILE   CD1 HD11 sing N N 203 
ILE   CD1 HD12 sing N N 204 
ILE   CD1 HD13 sing N N 205 
ILE   OXT HXT  sing N N 206 
LEU   N   CA   sing N N 207 
LEU   N   H    sing N N 208 
LEU   N   H2   sing N N 209 
LEU   CA  C    sing N N 210 
LEU   CA  CB   sing N N 211 
LEU   CA  HA   sing N N 212 
LEU   C   O    doub N N 213 
LEU   C   OXT  sing N N 214 
LEU   CB  CG   sing N N 215 
LEU   CB  HB2  sing N N 216 
LEU   CB  HB3  sing N N 217 
LEU   CG  CD1  sing N N 218 
LEU   CG  CD2  sing N N 219 
LEU   CG  HG   sing N N 220 
LEU   CD1 HD11 sing N N 221 
LEU   CD1 HD12 sing N N 222 
LEU   CD1 HD13 sing N N 223 
LEU   CD2 HD21 sing N N 224 
LEU   CD2 HD22 sing N N 225 
LEU   CD2 HD23 sing N N 226 
LEU   OXT HXT  sing N N 227 
LYS   N   CA   sing N N 228 
LYS   N   H    sing N N 229 
LYS   N   H2   sing N N 230 
LYS   CA  C    sing N N 231 
LYS   CA  CB   sing N N 232 
LYS   CA  HA   sing N N 233 
LYS   C   O    doub N N 234 
LYS   C   OXT  sing N N 235 
LYS   CB  CG   sing N N 236 
LYS   CB  HB2  sing N N 237 
LYS   CB  HB3  sing N N 238 
LYS   CG  CD   sing N N 239 
LYS   CG  HG2  sing N N 240 
LYS   CG  HG3  sing N N 241 
LYS   CD  CE   sing N N 242 
LYS   CD  HD2  sing N N 243 
LYS   CD  HD3  sing N N 244 
LYS   CE  NZ   sing N N 245 
LYS   CE  HE2  sing N N 246 
LYS   CE  HE3  sing N N 247 
LYS   NZ  HZ1  sing N N 248 
LYS   NZ  HZ2  sing N N 249 
LYS   NZ  HZ3  sing N N 250 
LYS   OXT HXT  sing N N 251 
PHE   N   CA   sing N N 252 
PHE   N   H    sing N N 253 
PHE   N   H2   sing N N 254 
PHE   CA  C    sing N N 255 
PHE   CA  CB   sing N N 256 
PHE   CA  HA   sing N N 257 
PHE   C   O    doub N N 258 
PHE   C   OXT  sing N N 259 
PHE   CB  CG   sing N N 260 
PHE   CB  HB2  sing N N 261 
PHE   CB  HB3  sing N N 262 
PHE   CG  CD1  doub Y N 263 
PHE   CG  CD2  sing Y N 264 
PHE   CD1 CE1  sing Y N 265 
PHE   CD1 HD1  sing N N 266 
PHE   CD2 CE2  doub Y N 267 
PHE   CD2 HD2  sing N N 268 
PHE   CE1 CZ   doub Y N 269 
PHE   CE1 HE1  sing N N 270 
PHE   CE2 CZ   sing Y N 271 
PHE   CE2 HE2  sing N N 272 
PHE   CZ  HZ   sing N N 273 
PHE   OXT HXT  sing N N 274 
PRO   N   CA   sing N N 275 
PRO   N   CD   sing N N 276 
PRO   N   H    sing N N 277 
PRO   CA  C    sing N N 278 
PRO   CA  CB   sing N N 279 
PRO   CA  HA   sing N N 280 
PRO   C   O    doub N N 281 
PRO   C   OXT  sing N N 282 
PRO   CB  CG   sing N N 283 
PRO   CB  HB2  sing N N 284 
PRO   CB  HB3  sing N N 285 
PRO   CG  CD   sing N N 286 
PRO   CG  HG2  sing N N 287 
PRO   CG  HG3  sing N N 288 
PRO   CD  HD2  sing N N 289 
PRO   CD  HD3  sing N N 290 
PRO   OXT HXT  sing N N 291 
SER   N   CA   sing N N 292 
SER   N   H    sing N N 293 
SER   N   H2   sing N N 294 
SER   CA  C    sing N N 295 
SER   CA  CB   sing N N 296 
SER   CA  HA   sing N N 297 
SER   C   O    doub N N 298 
SER   C   OXT  sing N N 299 
SER   CB  OG   sing N N 300 
SER   CB  HB2  sing N N 301 
SER   CB  HB3  sing N N 302 
SER   OG  HG   sing N N 303 
SER   OXT HXT  sing N N 304 
THR   N   CA   sing N N 305 
THR   N   H    sing N N 306 
THR   N   H2   sing N N 307 
THR   CA  C    sing N N 308 
THR   CA  CB   sing N N 309 
THR   CA  HA   sing N N 310 
THR   C   O    doub N N 311 
THR   C   OXT  sing N N 312 
THR   CB  OG1  sing N N 313 
THR   CB  CG2  sing N N 314 
THR   CB  HB   sing N N 315 
THR   OG1 HG1  sing N N 316 
THR   CG2 HG21 sing N N 317 
THR   CG2 HG22 sing N N 318 
THR   CG2 HG23 sing N N 319 
THR   OXT HXT  sing N N 320 
TRP   N   CA   sing N N 321 
TRP   N   H    sing N N 322 
TRP   N   H2   sing N N 323 
TRP   CA  C    sing N N 324 
TRP   CA  CB   sing N N 325 
TRP   CA  HA   sing N N 326 
TRP   C   O    doub N N 327 
TRP   C   OXT  sing N N 328 
TRP   CB  CG   sing N N 329 
TRP   CB  HB2  sing N N 330 
TRP   CB  HB3  sing N N 331 
TRP   CG  CD1  doub Y N 332 
TRP   CG  CD2  sing Y N 333 
TRP   CD1 NE1  sing Y N 334 
TRP   CD1 HD1  sing N N 335 
TRP   CD2 CE2  doub Y N 336 
TRP   CD2 CE3  sing Y N 337 
TRP   NE1 CE2  sing Y N 338 
TRP   NE1 HE1  sing N N 339 
TRP   CE2 CZ2  sing Y N 340 
TRP   CE3 CZ3  doub Y N 341 
TRP   CE3 HE3  sing N N 342 
TRP   CZ2 CH2  doub Y N 343 
TRP   CZ2 HZ2  sing N N 344 
TRP   CZ3 CH2  sing Y N 345 
TRP   CZ3 HZ3  sing N N 346 
TRP   CH2 HH2  sing N N 347 
TRP   OXT HXT  sing N N 348 
TYR   N   CA   sing N N 349 
TYR   N   H    sing N N 350 
TYR   N   H2   sing N N 351 
TYR   CA  C    sing N N 352 
TYR   CA  CB   sing N N 353 
TYR   CA  HA   sing N N 354 
TYR   C   O    doub N N 355 
TYR   C   OXT  sing N N 356 
TYR   CB  CG   sing N N 357 
TYR   CB  HB2  sing N N 358 
TYR   CB  HB3  sing N N 359 
TYR   CG  CD1  doub Y N 360 
TYR   CG  CD2  sing Y N 361 
TYR   CD1 CE1  sing Y N 362 
TYR   CD1 HD1  sing N N 363 
TYR   CD2 CE2  doub Y N 364 
TYR   CD2 HD2  sing N N 365 
TYR   CE1 CZ   doub Y N 366 
TYR   CE1 HE1  sing N N 367 
TYR   CE2 CZ   sing Y N 368 
TYR   CE2 HE2  sing N N 369 
TYR   CZ  OH   sing N N 370 
TYR   OH  HH   sing N N 371 
TYR   OXT HXT  sing N N 372 
VAL   N   CA   sing N N 373 
VAL   N   H    sing N N 374 
VAL   N   H2   sing N N 375 
VAL   CA  C    sing N N 376 
VAL   CA  CB   sing N N 377 
VAL   CA  HA   sing N N 378 
VAL   C   O    doub N N 379 
VAL   C   OXT  sing N N 380 
VAL   CB  CG1  sing N N 381 
VAL   CB  CG2  sing N N 382 
VAL   CB  HB   sing N N 383 
VAL   CG1 HG11 sing N N 384 
VAL   CG1 HG12 sing N N 385 
VAL   CG1 HG13 sing N N 386 
VAL   CG2 HG21 sing N N 387 
VAL   CG2 HG22 sing N N 388 
VAL   CG2 HG23 sing N N 389 
VAL   OXT HXT  sing N N 390 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Howard Hughes Medical Institute (HHMI)'           'United States' HHMI-EPI          1 
'National Science Foundation (NSF, United States)' 'United States' DMR-1548924       2 
'Department of Energy (DOE, United States)'        'United States' DE-FC02-02ER63421 3 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   9PAP 
_pdbx_initial_refinement_model.details          ? 
# 
_pdbx_serial_crystallography_data_reduction.diffrn_id             1 
_pdbx_serial_crystallography_data_reduction.frames_total          ? 
_pdbx_serial_crystallography_data_reduction.xfel_pulse_events     ? 
_pdbx_serial_crystallography_data_reduction.frame_hits            ? 
_pdbx_serial_crystallography_data_reduction.crystal_hits          23328 
_pdbx_serial_crystallography_data_reduction.droplet_hits          ? 
_pdbx_serial_crystallography_data_reduction.frames_failed_index   ? 
_pdbx_serial_crystallography_data_reduction.frames_indexed        15005 
_pdbx_serial_crystallography_data_reduction.lattices_indexed      16147 
_pdbx_serial_crystallography_data_reduction.xfel_run_numbers      ? 
_pdbx_serial_crystallography_data_reduction.lattices_merged       ? 
# 
_pdbx_serial_crystallography_sample_delivery.diffrn_id     1 
_pdbx_serial_crystallography_sample_delivery.description   ? 
_pdbx_serial_crystallography_sample_delivery.method        'fixed target' 
# 
_pdbx_serial_crystallography_sample_delivery_fixed_target.diffrn_id                       1 
_pdbx_serial_crystallography_sample_delivery_fixed_target.description                     'mylar foils' 
_pdbx_serial_crystallography_sample_delivery_fixed_target.sample_holding                  ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.support_base                    ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.sample_unit_size                ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.crystals_per_unit               ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.sample_solvent                  ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.sample_dehydration_prevention   ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.motion_control                  ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.velocity_horizontal             ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.velocity_vertical               ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.details                         ? 
# 
_atom_sites.entry_id                    9NBN 
_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]   0.023529 
_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]   0.020450 
_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]   0.009852 
_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   ? 22.751  -9.979  21.029 1.00 29.94 ? 1   ILE   A N   1 
ATOM   2    C CA  . ILE   A 1 1   ? 22.594  -9.015  19.937 1.00 30.71 ? 1   ILE   A CA  1 
ATOM   3    C C   . ILE   A 1 1   ? 23.877  -8.211  19.683 1.00 33.18 ? 1   ILE   A C   1 
ATOM   4    O O   . ILE   A 1 1   ? 24.679  -7.999  20.608 1.00 34.91 ? 1   ILE   A O   1 
ATOM   5    C CB  . ILE   A 1 1   ? 21.401  -8.084  20.230 1.00 26.11 ? 1   ILE   A CB  1 
ATOM   6    C CG1 . ILE   A 1 1   ? 21.656  -7.244  21.490 1.00 27.70 ? 1   ILE   A CG1 1 
ATOM   7    C CG2 . ILE   A 1 1   ? 20.126  -8.906  20.375 1.00 30.65 ? 1   ILE   A CG2 1 
ATOM   8    C CD1 . ILE   A 1 1   ? 20.437  -6.399  21.869 1.00 25.51 ? 1   ILE   A CD1 1 
ATOM   9    N N   . PRO   A 1 2   ? 24.054  -7.735  18.450 1.00 30.85 ? 2   PRO   A N   1 
ATOM   10   C CA  . PRO   A 1 2   ? 25.316  -7.089  18.076 1.00 36.02 ? 2   PRO   A CA  1 
ATOM   11   C C   . PRO   A 1 2   ? 25.468  -5.743  18.763 1.00 35.35 ? 2   PRO   A C   1 
ATOM   12   O O   . PRO   A 1 2   ? 24.551  -5.210  19.398 1.00 30.19 ? 2   PRO   A O   1 
ATOM   13   C CB  . PRO   A 1 2   ? 25.205  -6.909  16.549 1.00 31.98 ? 2   PRO   A CB  1 
ATOM   14   C CG  . PRO   A 1 2   ? 23.989  -7.686  16.136 1.00 36.93 ? 2   PRO   A CG  1 
ATOM   15   C CD  . PRO   A 1 2   ? 23.094  -7.733  17.329 1.00 35.95 ? 2   PRO   A CD  1 
ATOM   16   N N   . GLU   A 1 3   ? 26.660  -5.172  18.609 1.00 33.04 ? 3   GLU   A N   1 
ATOM   17   C CA  . GLU   A 1 3   ? 26.870  -3.860  19.185 1.00 32.50 ? 3   GLU   A CA  1 
ATOM   18   C C   . GLU   A 1 3   ? 26.311  -2.755  18.313 1.00 33.03 ? 3   GLU   A C   1 
ATOM   19   O O   . GLU   A 1 3   ? 25.974  -1.691  18.841 1.00 31.78 ? 3   GLU   A O   1 
ATOM   20   C CB  . GLU   A 1 3   ? 28.347  -3.614  19.458 1.00 36.92 ? 3   GLU   A CB  1 
ATOM   21   C CG  . GLU   A 1 3   ? 28.970  -4.702  20.300 1.00 50.69 ? 3   GLU   A CG  1 
ATOM   22   C CD  . GLU   A 1 3   ? 30.467  -4.603  20.309 1.00 46.03 ? 3   GLU   A CD  1 
ATOM   23   O OE1 . GLU   A 1 3   ? 31.096  -5.304  19.487 1.00 52.77 ? 3   GLU   A OE1 1 
ATOM   24   O OE2 . GLU   A 1 3   ? 31.003  -3.821  21.130 1.00 55.23 ? 3   GLU   A OE2 1 
ATOM   25   N N   . TYR   A 1 4   ? 26.176  -2.995  17.010 1.00 27.17 ? 4   TYR   A N   1 
ATOM   26   C CA  . TYR   A 1 4   ? 25.589  -2.032  16.095 1.00 33.96 ? 4   TYR   A CA  1 
ATOM   27   C C   . TYR   A 1 4   ? 24.457  -2.717  15.347 1.00 28.51 ? 4   TYR   A C   1 
ATOM   28   O O   . TYR   A 1 4   ? 24.587  -3.869  14.925 1.00 34.28 ? 4   TYR   A O   1 
ATOM   29   C CB  . TYR   A 1 4   ? 26.620  -1.501  15.109 1.00 31.61 ? 4   TYR   A CB  1 
ATOM   30   C CG  . TYR   A 1 4   ? 27.588  -0.513  15.707 1.00 39.37 ? 4   TYR   A CG  1 
ATOM   31   C CD1 . TYR   A 1 4   ? 27.275  0.845   15.789 1.00 37.73 ? 4   TYR   A CD1 1 
ATOM   32   C CD2 . TYR   A 1 4   ? 28.817  -0.937  16.193 1.00 44.20 ? 4   TYR   A CD2 1 
ATOM   33   C CE1 . TYR   A 1 4   ? 28.172  1.755   16.333 1.00 42.11 ? 4   TYR   A CE1 1 
ATOM   34   C CE2 . TYR   A 1 4   ? 29.724  -0.041  16.742 1.00 44.64 ? 4   TYR   A CE2 1 
ATOM   35   C CZ  . TYR   A 1 4   ? 29.402  1.300   16.809 1.00 45.69 ? 4   TYR   A CZ  1 
ATOM   36   O OH  . TYR   A 1 4   ? 30.307  2.182   17.364 1.00 49.89 ? 4   TYR   A OH  1 
ATOM   37   N N   . VAL   A 1 5   ? 23.333  -2.032  15.234 1.00 27.30 ? 5   VAL   A N   1 
ATOM   38   C CA  . VAL   A 1 5   ? 22.257  -2.446  14.342 1.00 27.88 ? 5   VAL   A CA  1 
ATOM   39   C C   . VAL   A 1 5   ? 21.847  -1.225  13.542 1.00 28.60 ? 5   VAL   A C   1 
ATOM   40   O O   . VAL   A 1 5   ? 21.740  -0.136  14.100 1.00 29.79 ? 5   VAL   A O   1 
ATOM   41   C CB  . VAL   A 1 5   ? 21.070  -3.033  15.128 1.00 32.47 ? 5   VAL   A CB  1 
ATOM   42   C CG1 . VAL   A 1 5   ? 19.870  -3.254  14.224 1.00 33.35 ? 5   VAL   A CG1 1 
ATOM   43   C CG2 . VAL   A 1 5   ? 21.500  -4.347  15.796 1.00 36.90 ? 5   VAL   A CG2 1 
ATOM   44   N N   . ASP   A 1 6   ? 21.671  -1.390  12.226 1.00 27.46 ? 6   ASP   A N   1 
ATOM   45   C CA  . ASP   A 1 6   ? 21.253  -0.277  11.374 1.00 34.52 ? 6   ASP   A CA  1 
ATOM   46   C C   . ASP   A 1 6   ? 20.465  -0.885  10.227 1.00 35.04 ? 6   ASP   A C   1 
ATOM   47   O O   . ASP   A 1 6   ? 21.051  -1.339  9.236  1.00 30.89 ? 6   ASP   A O   1 
ATOM   48   C CB  . ASP   A 1 6   ? 22.427  0.541   10.859 1.00 40.22 ? 6   ASP   A CB  1 
ATOM   49   C CG  . ASP   A 1 6   ? 21.983  1.829   10.136 1.00 35.97 ? 6   ASP   A CG  1 
ATOM   50   O OD1 . ASP   A 1 6   ? 20.812  1.949   9.720  1.00 29.38 ? 6   ASP   A OD1 1 
ATOM   51   O OD2 . ASP   A 1 6   ? 22.825  2.728   9.981  1.00 37.36 ? 6   ASP   A OD2 1 
ATOM   52   N N   . TRP   A 1 7   ? 19.142  -0.885  10.378 1.00 32.36 ? 7   TRP   A N   1 
ATOM   53   C CA  . TRP   A 1 7   ? 18.265  -1.483  9.381  1.00 31.01 ? 7   TRP   A CA  1 
ATOM   54   C C   . TRP   A 1 7   ? 18.343  -0.782  8.032  1.00 33.54 ? 7   TRP   A C   1 
ATOM   55   O O   . TRP   A 1 7   ? 17.956  -1.378  7.024  1.00 33.77 ? 7   TRP   A O   1 
ATOM   56   C CB  . TRP   A 1 7   ? 16.830  -1.485  9.910  1.00 26.20 ? 7   TRP   A CB  1 
ATOM   57   C CG  . TRP   A 1 7   ? 16.660  -2.571  10.902 1.00 29.52 ? 7   TRP   A CG  1 
ATOM   58   C CD1 . TRP   A 1 7   ? 16.495  -2.442  12.257 1.00 31.22 ? 7   TRP   A CD1 1 
ATOM   59   C CD2 . TRP   A 1 7   ? 16.710  -3.964  10.630 1.00 33.36 ? 7   TRP   A CD2 1 
ATOM   60   N NE1 . TRP   A 1 7   ? 16.412  -3.688  12.838 1.00 33.60 ? 7   TRP   A NE1 1 
ATOM   61   C CE2 . TRP   A 1 7   ? 16.553  -4.639  11.859 1.00 31.37 ? 7   TRP   A CE2 1 
ATOM   62   C CE3 . TRP   A 1 7   ? 16.866  -4.719  9.455  1.00 32.42 ? 7   TRP   A CE3 1 
ATOM   63   C CZ2 . TRP   A 1 7   ? 16.522  -6.029  11.945 1.00 36.98 ? 7   TRP   A CZ2 1 
ATOM   64   C CZ3 . TRP   A 1 7   ? 16.849  -6.093  9.548  1.00 41.26 ? 7   TRP   A CZ3 1 
ATOM   65   C CH2 . TRP   A 1 7   ? 16.676  -6.734  10.781 1.00 34.20 ? 7   TRP   A CH2 1 
ATOM   66   N N   . ARG   A 1 8   ? 18.807  0.472   7.986  1.00 28.98 ? 8   ARG   A N   1 
ATOM   67   C CA  . ARG   A 1 8   ? 18.990  1.121   6.691  1.00 30.33 ? 8   ARG   A CA  1 
ATOM   68   C C   . ARG   A 1 8   ? 20.011  0.381   5.852  1.00 39.57 ? 8   ARG   A C   1 
ATOM   69   O O   . ARG   A 1 8   ? 19.914  0.361   4.621  1.00 38.82 ? 8   ARG   A O   1 
ATOM   70   C CB  . ARG   A 1 8   ? 19.436  2.564   6.872  1.00 31.20 ? 8   ARG   A CB  1 
ATOM   71   C CG  . ARG   A 1 8   ? 18.532  3.354   7.770  1.00 32.38 ? 8   ARG   A CG  1 
ATOM   72   C CD  . ARG   A 1 8   ? 19.104  4.726   7.950  1.00 33.48 ? 8   ARG   A CD  1 
ATOM   73   N NE  . ARG   A 1 8   ? 20.331  4.656   8.725  1.00 35.14 ? 8   ARG   A NE  1 
ATOM   74   C CZ  . ARG   A 1 8   ? 21.064  5.710   9.030  1.00 41.05 ? 8   ARG   A CZ  1 
ATOM   75   N NH1 . ARG   A 1 8   ? 20.704  6.928   8.652  1.00 38.95 ? 8   ARG   A NH1 1 
ATOM   76   N NH2 . ARG   A 1 8   ? 22.182  5.540   9.736  1.00 34.72 ? 8   ARG   A NH2 1 
ATOM   77   N N   . GLN   A 1 9   ? 20.993  -0.236  6.505  1.00 41.05 ? 9   GLN   A N   1 
ATOM   78   C CA  . GLN   A 1 9   ? 22.048  -0.928  5.791  1.00 46.04 ? 9   GLN   A CA  1 
ATOM   79   C C   . GLN   A 1 9   ? 21.603  -2.302  5.329  1.00 39.49 ? 9   GLN   A C   1 
ATOM   80   O O   . GLN   A 1 9   ? 22.246  -2.887  4.459  1.00 36.06 ? 9   GLN   A O   1 
ATOM   81   C CB  . GLN   A 1 9   ? 23.280  -1.026  6.693  1.00 38.95 ? 9   GLN   A CB  1 
ATOM   82   C CG  . GLN   A 1 9   ? 24.005  0.306   6.805  1.00 55.66 ? 9   GLN   A CG  1 
ATOM   83   C CD  . GLN   A 1 9   ? 25.177  0.255   7.753  1.00 58.71 ? 9   GLN   A CD  1 
ATOM   84   O OE1 . GLN   A 1 9   ? 25.635  -0.823  8.134  1.00 58.84 ? 9   GLN   A OE1 1 
ATOM   85   N NE2 . GLN   A 1 9   ? 25.662  1.427   8.157  1.00 68.32 ? 9   GLN   A NE2 1 
ATOM   86   N N   . LYS   A 1 10  ? 20.544  -2.841  5.921  1.00 33.67 ? 10  LYS   A N   1 
ATOM   87   C CA  . LYS   A 1 10  ? 19.923  -4.065  5.453  1.00 34.09 ? 10  LYS   A CA  1 
ATOM   88   C C   . LYS   A 1 10  ? 18.776  -3.776  4.497  1.00 35.55 ? 10  LYS   A C   1 
ATOM   89   O O   . LYS   A 1 10  ? 17.973  -4.673  4.204  1.00 43.36 ? 10  LYS   A O   1 
ATOM   90   C CB  . LYS   A 1 10  ? 19.438  -4.891  6.647  1.00 41.81 ? 10  LYS   A CB  1 
ATOM   91   C CG  . LYS   A 1 10  ? 20.569  -5.406  7.539  1.00 44.22 ? 10  LYS   A CG  1 
ATOM   92   C CD  . LYS   A 1 10  ? 20.819  -4.438  8.705  1.00 44.60 ? 10  LYS   A CD  1 
ATOM   93   C CE  . LYS   A 1 10  ? 20.877  -5.144  10.076 1.00 51.19 ? 10  LYS   A CE  1 
ATOM   94   N NZ  . LYS   A 1 10  ? 21.456  -4.248  11.143 1.00 49.53 ? 10  LYS   A NZ  1 
ATOM   95   N N   . GLY   A 1 11  ? 18.684  -2.540  4.007  1.00 35.41 ? 11  GLY   A N   1 
ATOM   96   C CA  . GLY   A 1 11  ? 17.650  -2.191  3.047  1.00 33.22 ? 11  GLY   A CA  1 
ATOM   97   C C   . GLY   A 1 11  ? 16.245  -2.362  3.572  1.00 36.12 ? 11  GLY   A C   1 
ATOM   98   O O   . GLY   A 1 11  ? 15.336  -2.681  2.797  1.00 33.38 ? 11  GLY   A O   1 
ATOM   99   N N   . ALA   A 1 12  ? 16.032  -2.169  4.874  1.00 32.80 ? 12  ALA   A N   1 
ATOM   100  C CA  . ALA   A 1 12  ? 14.696  -2.332  5.431  1.00 31.13 ? 12  ALA   A CA  1 
ATOM   101  C C   . ALA   A 1 12  ? 14.030  -1.011  5.779  1.00 31.39 ? 12  ALA   A C   1 
ATOM   102  O O   . ALA   A 1 12  ? 13.006  -1.007  6.471  1.00 31.19 ? 12  ALA   A O   1 
ATOM   103  C CB  . ALA   A 1 12  ? 14.731  -3.226  6.657  1.00 30.16 ? 12  ALA   A CB  1 
ATOM   104  N N   . VAL   A 1 13  ? 14.570  0.107   5.314  1.00 32.15 ? 13  VAL   A N   1 
ATOM   105  C CA  . VAL   A 1 13  ? 14.055  1.420   5.679  1.00 28.29 ? 13  VAL   A CA  1 
ATOM   106  C C   . VAL   A 1 13  ? 13.842  2.236   4.423  1.00 27.80 ? 13  VAL   A C   1 
ATOM   107  O O   . VAL   A 1 13  ? 14.738  2.339   3.573  1.00 28.60 ? 13  VAL   A O   1 
ATOM   108  C CB  . VAL   A 1 13  ? 14.998  2.156   6.647  1.00 29.44 ? 13  VAL   A CB  1 
ATOM   109  C CG1 . VAL   A 1 13  ? 14.330  3.467   7.119  1.00 29.95 ? 13  VAL   A CG1 1 
ATOM   110  C CG2 . VAL   A 1 13  ? 15.313  1.264   7.838  1.00 27.32 ? 13  VAL   A CG2 1 
ATOM   111  N N   . THR   A 1 14  ? 12.652  2.802   4.298  1.00 26.98 ? 14  THR   A N   1 
ATOM   112  C CA  . THR   A 1 14  ? 12.331  3.608   3.143  1.00 27.83 ? 14  THR   A CA  1 
ATOM   113  C C   . THR   A 1 14  ? 12.843  5.023   3.368  1.00 26.22 ? 14  THR   A C   1 
ATOM   114  O O   . THR   A 1 14  ? 13.312  5.361   4.463  1.00 28.44 ? 14  THR   A O   1 
ATOM   115  C CB  . THR   A 1 14  ? 10.830  3.553   2.900  1.00 19.40 ? 14  THR   A CB  1 
ATOM   116  O OG1 . THR   A 1 14  ? 10.151  4.179   3.996  1.00 26.21 ? 14  THR   A OG1 1 
ATOM   117  C CG2 . THR   A 1 14  ? 10.374  2.070   2.765  1.00 23.46 ? 14  THR   A CG2 1 
ATOM   118  N N   . PRO   A 1 15  ? 12.785  5.874   2.343  1.00 28.62 ? 15  PRO   A N   1 
ATOM   119  C CA  . PRO   A 1 15  ? 13.273  7.246   2.507  1.00 24.61 ? 15  PRO   A CA  1 
ATOM   120  C C   . PRO   A 1 15  ? 12.504  7.978   3.597  1.00 30.77 ? 15  PRO   A C   1 
ATOM   121  O O   . PRO   A 1 15  ? 11.340  7.680   3.880  1.00 27.55 ? 15  PRO   A O   1 
ATOM   122  C CB  . PRO   A 1 15  ? 13.026  7.869   1.135  1.00 25.40 ? 15  PRO   A CB  1 
ATOM   123  C CG  . PRO   A 1 15  ? 13.098  6.702   0.178  1.00 22.33 ? 15  PRO   A CG  1 
ATOM   124  C CD  . PRO   A 1 15  ? 12.460  5.564   0.930  1.00 24.44 ? 15  PRO   A CD  1 
ATOM   125  N N   . VAL   A 1 16  ? 13.178  8.949   4.215  1.00 25.13 ? 16  VAL   A N   1 
ATOM   126  C CA  . VAL   A 1 16  ? 12.560  9.755   5.264  1.00 27.05 ? 16  VAL   A CA  1 
ATOM   127  C C   . VAL   A 1 16  ? 11.380  10.535  4.700  1.00 31.53 ? 16  VAL   A C   1 
ATOM   128  O O   . VAL   A 1 16  ? 11.440  11.097  3.597  1.00 28.15 ? 16  VAL   A O   1 
ATOM   129  C CB  . VAL   A 1 16  ? 13.607  10.699  5.873  1.00 30.87 ? 16  VAL   A CB  1 
ATOM   130  C CG1 . VAL   A 1 16  ? 12.955  11.791  6.741  1.00 26.74 ? 16  VAL   A CG1 1 
ATOM   131  C CG2 . VAL   A 1 16  ? 14.619  9.897   6.656  1.00 25.48 ? 16  VAL   A CG2 1 
ATOM   132  N N   . LYS   A 1 17  ? 10.293  10.570  5.461  1.00 28.11 ? 17  LYS   A N   1 
ATOM   133  C CA  . LYS   A 1 17  ? 9.108   11.305  5.070  1.00 29.79 ? 17  LYS   A CA  1 
ATOM   134  C C   . LYS   A 1 17  ? 8.972   12.563  5.907  1.00 28.11 ? 17  LYS   A C   1 
ATOM   135  O O   . LYS   A 1 17  ? 9.624   12.737  6.937  1.00 28.62 ? 17  LYS   A O   1 
ATOM   136  C CB  . LYS   A 1 17  ? 7.863   10.427  5.228  1.00 33.28 ? 17  LYS   A CB  1 
ATOM   137  C CG  . LYS   A 1 17  ? 8.061   9.038   4.652  1.00 27.98 ? 17  LYS   A CG  1 
ATOM   138  C CD  . LYS   A 1 17  ? 8.166   9.107   3.155  1.00 35.61 ? 17  LYS   A CD  1 
ATOM   139  C CE  . LYS   A 1 17  ? 8.082   7.718   2.532  1.00 33.85 ? 17  LYS   A CE  1 
ATOM   140  N NZ  . LYS   A 1 17  ? 9.110   6.751   3.032  1.00 26.38 ? 17  LYS   A NZ  1 
ATOM   141  N N   . ASN   A 1 18  ? 8.102   13.446  5.442  1.00 31.21 ? 18  ASN   A N   1 
ATOM   142  C CA  . ASN   A 1 18  ? 7.736   14.651  6.161  1.00 29.71 ? 18  ASN   A CA  1 
ATOM   143  C C   . ASN   A 1 18  ? 6.236   14.563  6.417  1.00 28.04 ? 18  ASN   A C   1 
ATOM   144  O O   . ASN   A 1 18  ? 5.434   14.567  5.471  1.00 29.52 ? 18  ASN   A O   1 
ATOM   145  C CB  . ASN   A 1 18  ? 8.090   15.894  5.365  1.00 26.73 ? 18  ASN   A CB  1 
ATOM   146  C CG  . ASN   A 1 18  ? 8.017   17.137  6.193  1.00 31.33 ? 18  ASN   A CG  1 
ATOM   147  O OD1 . ASN   A 1 18  ? 7.335   17.174  7.225  1.00 30.73 ? 18  ASN   A OD1 1 
ATOM   148  N ND2 . ASN   A 1 18  ? 8.717   18.174  5.757  1.00 43.94 ? 18  ASN   A ND2 1 
ATOM   149  N N   . GLN   A 1 19  ? 5.868   14.427  7.686  1.00 25.32 ? 19  GLN   A N   1 
ATOM   150  C CA  . GLN   A 1 19  ? 4.462   14.382  8.049  1.00 28.04 ? 19  GLN   A CA  1 
ATOM   151  C C   . GLN   A 1 19  ? 3.777   15.726  7.858  1.00 24.35 ? 19  GLN   A C   1 
ATOM   152  O O   . GLN   A 1 19  ? 2.548   15.766  7.807  1.00 29.35 ? 19  GLN   A O   1 
ATOM   153  C CB  . GLN   A 1 19  ? 4.309   13.913  9.503  1.00 23.53 ? 19  GLN   A CB  1 
ATOM   154  C CG  . GLN   A 1 19  ? 4.928   14.852  10.515 1.00 26.30 ? 19  GLN   A CG  1 
ATOM   155  C CD  . GLN   A 1 19  ? 4.765   14.364  11.940 1.00 30.71 ? 19  GLN   A CD  1 
ATOM   156  O OE1 . GLN   A 1 19  ? 5.583   13.596  12.441 1.00 29.13 ? 19  GLN   A OE1 1 
ATOM   157  N NE2 . GLN   A 1 19  ? 3.694   14.799  12.597 1.00 29.45 ? 19  GLN   A NE2 1 
ATOM   158  N N   . GLY   A 1 20  ? 4.529   16.814  7.784  1.00 26.62 ? 20  GLY   A N   1 
ATOM   159  C CA  . GLY   A 1 20  ? 3.901   18.108  7.604  1.00 30.63 ? 20  GLY   A CA  1 
ATOM   160  C C   . GLY   A 1 20  ? 3.235   18.577  8.882  1.00 33.69 ? 20  GLY   A C   1 
ATOM   161  O O   . GLY   A 1 20  ? 3.550   18.133  9.987  1.00 30.83 ? 20  GLY   A O   1 
ATOM   162  N N   . SER   A 1 21  ? 2.284   19.490  8.721  1.00 27.56 ? 21  SER   A N   1 
ATOM   163  C CA  . SER   A 1 21  ? 1.665   20.091  9.897  1.00 40.25 ? 21  SER   A CA  1 
ATOM   164  C C   . SER   A 1 21  ? 0.739   19.124  10.620 1.00 44.94 ? 21  SER   A C   1 
ATOM   165  O O   . SER   A 1 21  ? 0.429   19.344  11.796 1.00 50.74 ? 21  SER   A O   1 
ATOM   166  C CB  . SER   A 1 21  ? 0.919   21.364  9.491  1.00 43.89 ? 21  SER   A CB  1 
ATOM   167  O OG  . SER   A 1 21  ? -0.023  21.088  8.475  1.00 54.81 ? 21  SER   A OG  1 
ATOM   168  N N   . CYS   A 1 22  ? 0.336   18.041  9.962  1.00 34.34 ? 22  CYS   A N   1 
ATOM   169  C CA  . CYS   A 1 22  ? -0.581  17.073  10.544 1.00 31.20 ? 22  CYS   A CA  1 
ATOM   170  C C   . CYS   A 1 22  ? 0.080   16.248  11.658 1.00 32.15 ? 22  CYS   A C   1 
ATOM   171  O O   . CYS   A 1 22  ? 1.219   15.790  11.528 1.00 28.69 ? 22  CYS   A O   1 
ATOM   172  C CB  . CYS   A 1 22  ? -1.088  16.165  9.430  1.00 29.64 ? 22  CYS   A CB  1 
ATOM   173  S SG  . CYS   A 1 22  ? -2.018  14.747  9.946  1.00 29.89 ? 22  CYS   A SG  1 
ATOM   174  N N   . GLY   A 1 23  ? -0.660  16.022  12.745 1.00 31.20 ? 23  GLY   A N   1 
ATOM   175  C CA  . GLY   A 1 23  ? -0.159  15.239  13.860 1.00 34.54 ? 23  GLY   A CA  1 
ATOM   176  C C   . GLY   A 1 23  ? -0.284  13.756  13.613 1.00 31.79 ? 23  GLY   A C   1 
ATOM   177  O O   . GLY   A 1 23  ? -1.046  13.046  14.284 1.00 32.20 ? 23  GLY   A O   1 
ATOM   178  N N   . SER   A 1 24  ? 0.475   13.271  12.635 1.00 26.93 ? 24  SER   A N   1 
ATOM   179  C CA  . SER   A 1 24  ? 0.336   11.905  12.164 1.00 32.89 ? 24  SER   A CA  1 
ATOM   180  C C   . SER   A 1 24  ? 1.568   11.075  12.479 1.00 25.85 ? 24  SER   A C   1 
ATOM   181  O O   . SER   A 1 24  ? 1.771   10.020  11.874 1.00 32.86 ? 24  SER   A O   1 
ATOM   182  C CB  . SER   A 1 24  ? 0.068   11.886  10.662 1.00 31.14 ? 24  SER   A CB  1 
ATOM   183  O OG  . SER   A 1 24  ? 1.008   12.700  10.003 1.00 32.50 ? 24  SER   A OG  1 
ATOM   184  N N   . CYS   A 1 25  ? 2.410   11.553  13.396 1.00 25.47 ? 25  CYS   A N   1 
ATOM   185  C CA  . CYS   A 1 25  ? 3.612   10.811  13.740 1.00 25.30 ? 25  CYS   A CA  1 
ATOM   186  C C   . CYS   A 1 25  ? 3.276   9.373   14.076 1.00 26.56 ? 25  CYS   A C   1 
ATOM   187  O O   . CYS   A 1 25  ? 3.985   8.451   13.664 1.00 29.39 ? 25  CYS   A O   1 
ATOM   188  C CB  . CYS   A 1 25  ? 4.326   11.491  14.909 1.00 24.90 ? 25  CYS   A CB  1 
ATOM   189  S SG  . CYS   A 1 25  ? 3.275   11.695  16.334 1.00 36.62 ? 25  CYS   A SG  1 
ATOM   190  N N   . TRP   A 1 26  ? 2.172   9.161   14.793 1.00 27.00 ? 26  TRP   A N   1 
ATOM   191  C CA  . TRP   A 1 26  ? 1.800   7.809   15.190 1.00 27.13 ? 26  TRP   A CA  1 
ATOM   192  C C   . TRP   A 1 26  ? 1.665   6.896   13.977 1.00 26.34 ? 26  TRP   A C   1 
ATOM   193  O O   . TRP   A 1 26  ? 2.090   5.744   14.018 1.00 24.99 ? 26  TRP   A O   1 
ATOM   194  C CB  . TRP   A 1 26  ? 0.511   7.850   15.991 1.00 30.84 ? 26  TRP   A CB  1 
ATOM   195  C CG  . TRP   A 1 26  ? -0.590  8.529   15.265 1.00 29.44 ? 26  TRP   A CG  1 
ATOM   196  C CD1 . TRP   A 1 26  ? -0.820  9.864   15.185 1.00 31.26 ? 26  TRP   A CD1 1 
ATOM   197  C CD2 . TRP   A 1 26  ? -1.622  7.894   14.514 1.00 32.57 ? 26  TRP   A CD2 1 
ATOM   198  N NE1 . TRP   A 1 26  ? -1.949  10.111  14.426 1.00 32.48 ? 26  TRP   A NE1 1 
ATOM   199  C CE2 . TRP   A 1 26  ? -2.462  8.911   14.010 1.00 32.44 ? 26  TRP   A CE2 1 
ATOM   200  C CE3 . TRP   A 1 26  ? -1.925  6.564   14.221 1.00 32.50 ? 26  TRP   A CE3 1 
ATOM   201  C CZ2 . TRP   A 1 26  ? -3.584  8.636   13.226 1.00 32.25 ? 26  TRP   A CZ2 1 
ATOM   202  C CZ3 . TRP   A 1 26  ? -3.056  6.295   13.435 1.00 32.95 ? 26  TRP   A CZ3 1 
ATOM   203  C CH2 . TRP   A 1 26  ? -3.861  7.327   12.952 1.00 33.87 ? 26  TRP   A CH2 1 
ATOM   204  N N   . ALA   A 1 27  ? 1.122   7.415   12.867 1.00 26.96 ? 27  ALA   A N   1 
ATOM   205  C CA  . ALA   A 1 27  ? 0.961   6.615   11.661 1.00 29.67 ? 27  ALA   A CA  1 
ATOM   206  C C   . ALA   A 1 27  ? 2.277   6.460   10.911 1.00 27.48 ? 27  ALA   A C   1 
ATOM   207  O O   . ALA   A 1 27  ? 2.576   5.383   10.380 1.00 25.88 ? 27  ALA   A O   1 
ATOM   208  C CB  . ALA   A 1 27  ? -0.096  7.252   10.754 1.00 27.12 ? 27  ALA   A CB  1 
ATOM   209  N N   . PHE   A 1 28  ? 3.051   7.539   10.806 1.00 24.05 ? 28  PHE   A N   1 
ATOM   210  C CA  . PHE   A 1 28  ? 4.374   7.434   10.204 1.00 24.21 ? 28  PHE   A CA  1 
ATOM   211  C C   . PHE   A 1 28  ? 5.216   6.429   10.961 1.00 28.18 ? 28  PHE   A C   1 
ATOM   212  O O   . PHE   A 1 28  ? 5.843   5.552   10.356 1.00 27.69 ? 28  PHE   A O   1 
ATOM   213  C CB  . PHE   A 1 28  ? 5.050   8.805   10.168 1.00 29.73 ? 28  PHE   A CB  1 
ATOM   214  C CG  . PHE   A 1 28  ? 4.597   9.636   9.013  1.00 32.13 ? 28  PHE   A CG  1 
ATOM   215  C CD1 . PHE   A 1 28  ? 3.401   10.340  9.087  1.00 31.14 ? 28  PHE   A CD1 1 
ATOM   216  C CD2 . PHE   A 1 28  ? 5.314   9.637   7.818  1.00 25.82 ? 28  PHE   A CD2 1 
ATOM   217  C CE1 . PHE   A 1 28  ? 2.941   11.068  8.013  1.00 30.15 ? 28  PHE   A CE1 1 
ATOM   218  C CE2 . PHE   A 1 28  ? 4.852   10.372  6.724  1.00 28.84 ? 28  PHE   A CE2 1 
ATOM   219  C CZ  . PHE   A 1 28  ? 3.665   11.092  6.833  1.00 30.03 ? 28  PHE   A CZ  1 
ATOM   220  N N   . SER   A 1 29  ? 5.201   6.521   12.298 1.00 23.79 ? 29  SER   A N   1 
ATOM   221  C CA  . SER   A 1 29  ? 5.926   5.571   13.143 1.00 27.21 ? 29  SER   A CA  1 
ATOM   222  C C   . SER   A 1 29  ? 5.525   4.131   12.826 1.00 24.63 ? 29  SER   A C   1 
ATOM   223  O O   . SER   A 1 29  ? 6.377   3.264   12.574 1.00 26.25 ? 29  SER   A O   1 
ATOM   224  C CB  . SER   A 1 29  ? 5.650   5.890   14.612 1.00 28.50 ? 29  SER   A CB  1 
ATOM   225  O OG  . SER   A 1 29  ? 6.144   4.870   15.471 1.00 27.10 ? 29  SER   A OG  1 
ATOM   226  N N   . ALA   A 1 30  ? 4.224   3.862   12.830 1.00 25.36 ? 30  ALA   A N   1 
ATOM   227  C CA  . ALA   A 1 30  ? 3.746   2.507   12.586 1.00 30.53 ? 30  ALA   A CA  1 
ATOM   228  C C   . ALA   A 1 30  ? 4.146   2.022   11.203 1.00 30.64 ? 30  ALA   A C   1 
ATOM   229  O O   . ALA   A 1 30  ? 4.487   0.846   11.014 1.00 28.29 ? 30  ALA   A O   1 
ATOM   230  C CB  . ALA   A 1 30  ? 2.227   2.461   12.750 1.00 28.37 ? 30  ALA   A CB  1 
ATOM   231  N N   . VAL   A 1 31  ? 4.116   2.910   10.217 1.00 24.81 ? 31  VAL   A N   1 
ATOM   232  C CA  . VAL   A 1 31  ? 4.416   2.470   8.858  1.00 24.82 ? 31  VAL   A CA  1 
ATOM   233  C C   . VAL   A 1 31  ? 5.874   2.035   8.735  1.00 22.69 ? 31  VAL   A C   1 
ATOM   234  O O   . VAL   A 1 31  ? 6.180   1.031   8.073  1.00 31.14 ? 31  VAL   A O   1 
ATOM   235  C CB  . VAL   A 1 31  ? 4.056   3.571   7.848  1.00 24.59 ? 31  VAL   A CB  1 
ATOM   236  C CG1 . VAL   A 1 31  ? 4.883   3.379   6.575  1.00 26.16 ? 31  VAL   A CG1 1 
ATOM   237  C CG2 . VAL   A 1 31  ? 2.575   3.494   7.526  1.00 23.06 ? 31  VAL   A CG2 1 
ATOM   238  N N   . VAL   A 1 32  ? 6.794   2.758   9.387  1.00 26.54 ? 32  VAL   A N   1 
ATOM   239  C CA  . VAL   A 1 32  ? 8.203   2.359   9.356  1.00 25.98 ? 32  VAL   A CA  1 
ATOM   240  C C   . VAL   A 1 32  ? 8.355   0.916   9.810  1.00 28.62 ? 32  VAL   A C   1 
ATOM   241  O O   . VAL   A 1 32  ? 9.063   0.112   9.187  1.00 28.48 ? 32  VAL   A O   1 
ATOM   242  C CB  . VAL   A 1 32  ? 9.056   3.300   10.224 1.00 24.69 ? 32  VAL   A CB  1 
ATOM   243  C CG1 . VAL   A 1 32  ? 10.512  2.783   10.276 1.00 26.04 ? 32  VAL   A CG1 1 
ATOM   244  C CG2 . VAL   A 1 32  ? 9.011   4.710   9.686  1.00 30.96 ? 32  VAL   A CG2 1 
ATOM   245  N N   . THR   A 1 33  ? 7.692   0.567   10.910 1.00 27.70 ? 33  THR   A N   1 
ATOM   246  C CA  . THR   A 1 33  ? 7.824   -0.785  11.427 1.00 34.04 ? 33  THR   A CA  1 
ATOM   247  C C   . THR   A 1 33  ? 7.192   -1.791  10.479 1.00 28.24 ? 33  THR   A C   1 
ATOM   248  O O   . THR   A 1 33  ? 7.723   -2.892  10.319 1.00 29.91 ? 33  THR   A O   1 
ATOM   249  C CB  . THR   A 1 33  ? 7.218   -0.886  12.829 1.00 30.95 ? 33  THR   A CB  1 
ATOM   250  O OG1 . THR   A 1 33  ? 5.783   -0.883  12.761 1.00 30.64 ? 33  THR   A OG1 1 
ATOM   251  C CG2 . THR   A 1 33  ? 7.707   0.269   13.734 1.00 28.63 ? 33  THR   A CG2 1 
ATOM   252  N N   . ILE   A 1 34  ? 6.099   -1.415  9.800  1.00 30.64 ? 34  ILE   A N   1 
ATOM   253  C CA  . ILE   A 1 34  ? 5.519   -2.302  8.791  1.00 30.50 ? 34  ILE   A CA  1 
ATOM   254  C C   . ILE   A 1 34  ? 6.468   -2.447  7.607  1.00 31.34 ? 34  ILE   A C   1 
ATOM   255  O O   . ILE   A 1 34  ? 6.740   -3.556  7.139  1.00 30.42 ? 34  ILE   A O   1 
ATOM   256  C CB  . ILE   A 1 34  ? 4.137   -1.791  8.349  1.00 35.18 ? 34  ILE   A CB  1 
ATOM   257  C CG1 . ILE   A 1 34  ? 3.206   -1.753  9.547  1.00 30.73 ? 34  ILE   A CG1 1 
ATOM   258  C CG2 . ILE   A 1 34  ? 3.538   -2.691  7.265  1.00 30.87 ? 34  ILE   A CG2 1 
ATOM   259  C CD1 . ILE   A 1 34  ? 2.060   -0.827  9.347  1.00 42.63 ? 34  ILE   A CD1 1 
ATOM   260  N N   . GLU   A 1 35  ? 7.006   -1.333  7.124  1.00 31.48 ? 35  GLU   A N   1 
ATOM   261  C CA  . GLU   A 1 35  ? 7.968   -1.404  6.031  1.00 29.65 ? 35  GLU   A CA  1 
ATOM   262  C C   . GLU   A 1 35  ? 9.148   -2.298  6.394  1.00 30.70 ? 35  GLU   A C   1 
ATOM   263  O O   . GLU   A 1 35  ? 9.595   -3.116  5.577  1.00 29.93 ? 35  GLU   A O   1 
ATOM   264  C CB  . GLU   A 1 35  ? 8.434   0.004   5.667  1.00 29.30 ? 35  GLU   A CB  1 
ATOM   265  C CG  . GLU   A 1 35  ? 7.314   0.770   4.991  1.00 25.42 ? 35  GLU   A CG  1 
ATOM   266  C CD  . GLU   A 1 35  ? 7.607   2.238   4.794  1.00 28.22 ? 35  GLU   A CD  1 
ATOM   267  O OE1 . GLU   A 1 35  ? 8.558   2.775   5.412  1.00 28.98 ? 35  GLU   A OE1 1 
ATOM   268  O OE2 . GLU   A 1 35  ? 6.839   2.855   4.030  1.00 26.64 ? 35  GLU   A OE2 1 
ATOM   269  N N   . GLY   A 1 36  ? 9.639   -2.189  7.630  1.00 27.03 ? 36  GLY   A N   1 
ATOM   270  C CA  . GLY   A 1 36  ? 10.796  -2.974  8.007  1.00 28.79 ? 36  GLY   A CA  1 
ATOM   271  C C   . GLY   A 1 36  ? 10.488  -4.457  8.060  1.00 30.62 ? 36  GLY   A C   1 
ATOM   272  O O   . GLY   A 1 36  ? 11.236  -5.279  7.522  1.00 36.85 ? 36  GLY   A O   1 
ATOM   273  N N   . ILE   A 1 37  ? 9.386   -4.820  8.719  1.00 34.16 ? 37  ILE   A N   1 
ATOM   274  C CA  . ILE   A 1 37  ? 9.103   -6.234  8.942  1.00 27.59 ? 37  ILE   A CA  1 
ATOM   275  C C   . ILE   A 1 37  ? 8.735   -6.921  7.634  1.00 38.98 ? 37  ILE   A C   1 
ATOM   276  O O   . ILE   A 1 37  ? 9.130   -8.071  7.397  1.00 33.25 ? 37  ILE   A O   1 
ATOM   277  C CB  . ILE   A 1 37  ? 8.017   -6.409  10.025 1.00 29.70 ? 37  ILE   A CB  1 
ATOM   278  C CG1 . ILE   A 1 37  ? 8.024   -7.857  10.544 1.00 34.33 ? 37  ILE   A CG1 1 
ATOM   279  C CG2 . ILE   A 1 37  ? 6.660   -6.051  9.509  1.00 26.26 ? 37  ILE   A CG2 1 
ATOM   280  C CD1 . ILE   A 1 37  ? 9.381   -8.308  11.083 1.00 41.72 ? 37  ILE   A CD1 1 
ATOM   281  N N   . ILE   A 1 38  ? 8.021   -6.223  6.737  1.00 32.28 ? 38  ILE   A N   1 
ATOM   282  C CA  . ILE   A 1 38  ? 7.717   -6.837  5.450  1.00 29.19 ? 38  ILE   A CA  1 
ATOM   283  C C   . ILE   A 1 38  ? 8.996   -7.040  4.650  1.00 34.65 ? 38  ILE   A C   1 
ATOM   284  O O   . ILE   A 1 38  ? 9.176   -8.075  4.003  1.00 36.94 ? 38  ILE   A O   1 
ATOM   285  C CB  . ILE   A 1 38  ? 6.674   -6.014  4.677  1.00 33.89 ? 38  ILE   A CB  1 
ATOM   286  C CG1 . ILE   A 1 38  ? 5.322   -6.092  5.400  1.00 32.07 ? 38  ILE   A CG1 1 
ATOM   287  C CG2 . ILE   A 1 38  ? 6.569   -6.540  3.262  1.00 35.72 ? 38  ILE   A CG2 1 
ATOM   288  C CD1 . ILE   A 1 38  ? 4.459   -7.219  4.940  1.00 49.05 ? 38  ILE   A CD1 1 
ATOM   289  N N   . LYS   A 1 39  ? 9.929   -6.086  4.708  1.00 30.80 ? 39  LYS   A N   1 
ATOM   290  C CA  . LYS   A 1 39  ? 11.247  -6.341  4.121  1.00 34.52 ? 39  LYS   A CA  1 
ATOM   291  C C   . LYS   A 1 39  ? 11.924  -7.549  4.752  1.00 38.41 ? 39  LYS   A C   1 
ATOM   292  O O   . LYS   A 1 39  ? 12.503  -8.387  4.051  1.00 36.05 ? 39  LYS   A O   1 
ATOM   293  C CB  . LYS   A 1 39  ? 12.154  -5.124  4.248  1.00 33.66 ? 39  LYS   A CB  1 
ATOM   294  C CG  . LYS   A 1 39  ? 13.570  -5.408  3.722  1.00 35.01 ? 39  LYS   A CG  1 
ATOM   295  C CD  . LYS   A 1 39  ? 13.687  -5.787  2.264  1.00 42.36 ? 39  LYS   A CD  1 
ATOM   296  C CE  . LYS   A 1 39  ? 15.168  -5.847  1.878  1.00 38.96 ? 39  LYS   A CE  1 
ATOM   297  N NZ  . LYS   A 1 39  ? 15.331  -6.423  0.517  1.00 54.71 ? 39  LYS   A NZ  1 
ATOM   298  N N   . ILE   A 1 40  ? 11.896  -7.628  6.080  1.00 35.78 ? 40  ILE   A N   1 
ATOM   299  C CA  . ILE   A 1 40  ? 12.592  -8.690  6.792  1.00 38.32 ? 40  ILE   A CA  1 
ATOM   300  C C   . ILE   A 1 40  ? 12.027  -10.053 6.406  1.00 41.82 ? 40  ILE   A C   1 
ATOM   301  O O   . ILE   A 1 40  ? 12.778  -10.976 6.073  1.00 44.21 ? 40  ILE   A O   1 
ATOM   302  C CB  . ILE   A 1 40  ? 12.528  -8.428  8.305  1.00 35.85 ? 40  ILE   A CB  1 
ATOM   303  C CG1 . ILE   A 1 40  ? 13.476  -7.272  8.659  1.00 32.97 ? 40  ILE   A CG1 1 
ATOM   304  C CG2 . ILE   A 1 40  ? 12.827  -9.686  9.105  1.00 45.44 ? 40  ILE   A CG2 1 
ATOM   305  C CD1 . ILE   A 1 40  ? 13.254  -6.702  10.057 1.00 33.78 ? 40  ILE   A CD1 1 
ATOM   306  N N   . ARG   A 1 41  ? 10.694  -10.187 6.402  1.00 37.04 ? 41  ARG   A N   1 
ATOM   307  C CA  . ARG   A 1 41  ? 10.085  -11.484 6.090  1.00 42.61 ? 41  ARG   A CA  1 
ATOM   308  C C   . ARG   A 1 41  ? 10.112  -11.813 4.602  1.00 45.81 ? 41  ARG   A C   1 
ATOM   309  O O   . ARG   A 1 41  ? 10.412  -12.950 4.227  1.00 48.36 ? 41  ARG   A O   1 
ATOM   310  C CB  . ARG   A 1 41  ? 8.644   -11.550 6.591  1.00 39.78 ? 41  ARG   A CB  1 
ATOM   311  C CG  . ARG   A 1 41  ? 8.505   -11.421 8.077  1.00 45.57 ? 41  ARG   A CG  1 
ATOM   312  C CD  . ARG   A 1 41  ? 9.017   -12.663 8.786  1.00 46.25 ? 41  ARG   A CD  1 
ATOM   313  N NE  . ARG   A 1 41  ? 8.828   -12.506 10.225 1.00 50.42 ? 41  ARG   A NE  1 
ATOM   314  C CZ  . ARG   A 1 41  ? 9.818   -12.323 11.088 1.00 63.41 ? 41  ARG   A CZ  1 
ATOM   315  N NH1 . ARG   A 1 41  ? 11.084  -12.336 10.696 1.00 61.01 ? 41  ARG   A NH1 1 
ATOM   316  N NH2 . ARG   A 1 41  ? 9.532   -12.103 12.371 1.00 59.96 ? 41  ARG   A NH2 1 
ATOM   317  N N   . THR   A 1 42  ? 9.788   -10.859 3.737  1.00 43.12 ? 42  THR   A N   1 
ATOM   318  C CA  . THR   A 1 42  ? 9.561   -11.188 2.337  1.00 41.57 ? 42  THR   A CA  1 
ATOM   319  C C   . THR   A 1 42  ? 10.712  -10.794 1.431  1.00 42.20 ? 42  THR   A C   1 
ATOM   320  O O   . THR   A 1 42  ? 10.735  -11.218 0.274  1.00 45.32 ? 42  THR   A O   1 
ATOM   321  C CB  . THR   A 1 42  ? 8.280   -10.519 1.837  1.00 43.07 ? 42  THR   A CB  1 
ATOM   322  O OG1 . THR   A 1 42  ? 8.465   -9.096  1.779  1.00 38.35 ? 42  THR   A OG1 1 
ATOM   323  C CG2 . THR   A 1 42  ? 7.133   -10.840 2.777  1.00 42.05 ? 42  THR   A CG2 1 
ATOM   324  N N   . GLY   A 1 43  ? 11.667  -10.007 1.924  1.00 39.17 ? 43  GLY   A N   1 
ATOM   325  C CA  . GLY   A 1 43  ? 12.747  -9.515  1.101  1.00 39.65 ? 43  GLY   A CA  1 
ATOM   326  C C   . GLY   A 1 43  ? 12.406  -8.311  0.254  1.00 38.55 ? 43  GLY   A C   1 
ATOM   327  O O   . GLY   A 1 43  ? 13.289  -7.796  -0.444 1.00 37.30 ? 43  GLY   A O   1 
ATOM   328  N N   . ASN   A 1 44  ? 11.162  -7.844  0.284  1.00 38.99 ? 44  ASN   A N   1 
ATOM   329  C CA  . ASN   A 1 44  ? 10.735  -6.713  -0.530 1.00 38.36 ? 44  ASN   A CA  1 
ATOM   330  C C   . ASN   A 1 44  ? 10.620  -5.489  0.362  1.00 35.67 ? 44  ASN   A C   1 
ATOM   331  O O   . ASN   A 1 44  ? 9.926   -5.530  1.383  1.00 31.89 ? 44  ASN   A O   1 
ATOM   332  C CB  . ASN   A 1 44  ? 9.382   -6.977  -1.190 1.00 42.71 ? 44  ASN   A CB  1 
ATOM   333  C CG  . ASN   A 1 44  ? 9.397   -8.193  -2.081 1.00 46.38 ? 44  ASN   A CG  1 
ATOM   334  O OD1 . ASN   A 1 44  ? 10.357  -8.427  -2.807 1.00 46.88 ? 44  ASN   A OD1 1 
ATOM   335  N ND2 . ASN   A 1 44  ? 8.338   -8.997  -2.001 1.00 42.55 ? 44  ASN   A ND2 1 
ATOM   336  N N   . LEU   A 1 45  ? 11.287  -4.412  -0.025 1.00 36.92 ? 45  LEU   A N   1 
ATOM   337  C CA  . LEU   A 1 45  ? 11.080  -3.111  0.599  1.00 39.73 ? 45  LEU   A CA  1 
ATOM   338  C C   . LEU   A 1 45  ? 10.028  -2.353  -0.206 1.00 34.56 ? 45  LEU   A C   1 
ATOM   339  O O   . LEU   A 1 45  ? 10.243  -2.024  -1.377 1.00 31.73 ? 45  LEU   A O   1 
ATOM   340  C CB  . LEU   A 1 45  ? 12.379  -2.327  0.668  1.00 32.84 ? 45  LEU   A CB  1 
ATOM   341  C CG  . LEU   A 1 45  ? 12.313  -1.014  1.452  1.00 27.97 ? 45  LEU   A CG  1 
ATOM   342  C CD1 . LEU   A 1 45  ? 11.910  -1.249  2.886  1.00 33.78 ? 45  LEU   A CD1 1 
ATOM   343  C CD2 . LEU   A 1 45  ? 13.632  -0.281  1.354  1.00 36.98 ? 45  LEU   A CD2 1 
ATOM   344  N N   . ASN   A 1 46  ? 8.883   -2.110  0.410  1.00 33.34 ? 46  ASN   A N   1 
ATOM   345  C CA  . ASN   A 1 46  ? 7.835   -1.278  -0.160 1.00 38.07 ? 46  ASN   A CA  1 
ATOM   346  C C   . ASN   A 1 46  ? 7.507   -0.146  0.796  1.00 36.54 ? 46  ASN   A C   1 
ATOM   347  O O   . ASN   A 1 46  ? 7.846   -0.190  1.978  1.00 38.40 ? 46  ASN   A O   1 
ATOM   348  C CB  . ASN   A 1 46  ? 6.565   -2.072  -0.452 1.00 41.07 ? 46  ASN   A CB  1 
ATOM   349  C CG  . ASN   A 1 46  ? 6.790   -3.167  -1.469 1.00 44.32 ? 46  ASN   A CG  1 
ATOM   350  O OD1 . ASN   A 1 46  ? 6.631   -4.348  -1.171 1.00 49.25 ? 46  ASN   A OD1 1 
ATOM   351  N ND2 . ASN   A 1 46  ? 7.114   -2.768  -2.700 1.00 42.31 ? 46  ASN   A ND2 1 
ATOM   352  N N   . GLU   A 1 47  ? 6.844   0.871   0.265  1.00 34.94 ? 47  GLU   A N   1 
ATOM   353  C CA  . GLU   A 1 47  ? 6.291   1.929   1.090  1.00 36.50 ? 47  GLU   A CA  1 
ATOM   354  C C   . GLU   A 1 47  ? 4.807   1.684   1.276  1.00 32.55 ? 47  GLU   A C   1 
ATOM   355  O O   . GLU   A 1 47  ? 4.095   1.365   0.317  1.00 29.11 ? 47  GLU   A O   1 
ATOM   356  C CB  . GLU   A 1 47  ? 6.514   3.298   0.457  1.00 29.40 ? 47  GLU   A CB  1 
ATOM   357  C CG  . GLU   A 1 47  ? 7.973   3.658   0.370  1.00 34.55 ? 47  GLU   A CG  1 
ATOM   358  C CD  . GLU   A 1 47  ? 8.179   5.051   -0.128 1.00 35.51 ? 47  GLU   A CD  1 
ATOM   359  O OE1 . GLU   A 1 47  ? 7.444   5.483   -1.042 1.00 42.33 ? 47  GLU   A OE1 1 
ATOM   360  O OE2 . GLU   A 1 47  ? 9.050   5.732   0.429  1.00 32.99 ? 47  GLU   A OE2 1 
ATOM   361  N N   . TYR   A 1 48  ? 4.336   1.881   2.497  1.00 25.02 ? 48  TYR   A N   1 
ATOM   362  C CA  . TYR   A 1 48  ? 2.941   1.661   2.823  1.00 29.19 ? 48  TYR   A CA  1 
ATOM   363  C C   . TYR   A 1 48  ? 2.317   2.976   3.267  1.00 23.33 ? 48  TYR   A C   1 
ATOM   364  O O   . TYR   A 1 48  ? 2.985   4.003   3.420  1.00 25.40 ? 48  TYR   A O   1 
ATOM   365  C CB  . TYR   A 1 48  ? 2.787   0.554   3.880  1.00 25.99 ? 48  TYR   A CB  1 
ATOM   366  C CG  . TYR   A 1 48  ? 3.307   -0.762  3.348  1.00 32.95 ? 48  TYR   A CG  1 
ATOM   367  C CD1 . TYR   A 1 48  ? 2.596   -1.472  2.373  1.00 35.55 ? 48  TYR   A CD1 1 
ATOM   368  C CD2 . TYR   A 1 48  ? 4.527   -1.276  3.772  1.00 34.92 ? 48  TYR   A CD2 1 
ATOM   369  C CE1 . TYR   A 1 48  ? 3.075   -2.658  1.860  1.00 33.87 ? 48  TYR   A CE1 1 
ATOM   370  C CE2 . TYR   A 1 48  ? 5.011   -2.470  3.266  1.00 31.92 ? 48  TYR   A CE2 1 
ATOM   371  C CZ  . TYR   A 1 48  ? 4.274   -3.152  2.308  1.00 40.78 ? 48  TYR   A CZ  1 
ATOM   372  O OH  . TYR   A 1 48  ? 4.751   -4.327  1.792  1.00 45.92 ? 48  TYR   A OH  1 
ATOM   373  N N   . SER   A 1 49  ? 1.008   2.953   3.429  1.00 28.42 ? 49  SER   A N   1 
ATOM   374  C CA  . SER   A 1 49  ? 0.245   4.190   3.475  1.00 24.24 ? 49  SER   A CA  1 
ATOM   375  C C   . SER   A 1 49  ? 0.090   4.667   4.912  1.00 25.24 ? 49  SER   A C   1 
ATOM   376  O O   . SER   A 1 49  ? -0.684  4.092   5.690  1.00 27.32 ? 49  SER   A O   1 
ATOM   377  C CB  . SER   A 1 49  ? -1.117  4.011   2.816  1.00 24.88 ? 49  SER   A CB  1 
ATOM   378  O OG  . SER   A 1 49  ? -1.765  5.263   2.841  1.00 26.66 ? 49  SER   A OG  1 
ATOM   379  N N   . GLU   A 1 50  ? 0.782   5.760   5.245  1.00 27.28 ? 50  GLU   A N   1 
ATOM   380  C CA  . GLU   A 1 50  ? 0.447   6.489   6.466  1.00 27.95 ? 50  GLU   A CA  1 
ATOM   381  C C   . GLU   A 1 50  ? -0.956  7.063   6.381  1.00 30.75 ? 50  GLU   A C   1 
ATOM   382  O O   . GLU   A 1 50  ? -1.673  7.134   7.390  1.00 28.04 ? 50  GLU   A O   1 
ATOM   383  C CB  . GLU   A 1 50  ? 1.446   7.627   6.705  1.00 32.42 ? 50  GLU   A CB  1 
ATOM   384  C CG  . GLU   A 1 50  ? 2.895   7.195   6.803  1.00 27.10 ? 50  GLU   A CG  1 
ATOM   385  C CD  . GLU   A 1 50  ? 3.575   7.086   5.451  1.00 27.55 ? 50  GLU   A CD  1 
ATOM   386  O OE1 . GLU   A 1 50  ? 2.946   7.399   4.402  1.00 27.78 ? 50  GLU   A OE1 1 
ATOM   387  O OE2 . GLU   A 1 50  ? 4.742   6.652   5.447  1.00 33.00 ? 50  GLU   A OE2 1 
ATOM   388  N N   . GLN   A 1 51  ? -1.354  7.512   5.189  1.00 24.05 ? 51  GLN   A N   1 
ATOM   389  C CA  . GLN   A 1 51  ? -2.666  8.142   5.037  1.00 27.85 ? 51  GLN   A CA  1 
ATOM   390  C C   . GLN   A 1 51  ? -3.784  7.167   5.375  1.00 24.42 ? 51  GLN   A C   1 
ATOM   391  O O   . GLN   A 1 51  ? -4.803  7.549   5.958  1.00 26.42 ? 51  GLN   A O   1 
ATOM   392  C CB  . GLN   A 1 51  ? -2.833  8.655   3.603  1.00 24.57 ? 51  GLN   A CB  1 
ATOM   393  C CG  . GLN   A 1 51  ? -4.128  9.402   3.357  1.00 22.99 ? 51  GLN   A CG  1 
ATOM   394  C CD  . GLN   A 1 51  ? -4.146  10.707  4.070  1.00 22.66 ? 51  GLN   A CD  1 
ATOM   395  O OE1 . GLN   A 1 51  ? -3.146  11.422  4.088  1.00 26.64 ? 51  GLN   A OE1 1 
ATOM   396  N NE2 . GLN   A 1 51  ? -5.290  11.049  4.664  1.00 30.28 ? 51  GLN   A NE2 1 
ATOM   397  N N   . GLU   A 1 52  ? -3.613  5.905   4.998  1.00 23.97 ? 52  GLU   A N   1 
ATOM   398  C CA  . GLU   A 1 52  ? -4.608  4.894   5.319  1.00 27.79 ? 52  GLU   A CA  1 
ATOM   399  C C   . GLU   A 1 52  ? -4.819  4.789   6.823  1.00 33.75 ? 52  GLU   A C   1 
ATOM   400  O O   . GLU   A 1 52  ? -5.959  4.775   7.295  1.00 30.43 ? 52  GLU   A O   1 
ATOM   401  C CB  . GLU   A 1 52  ? -4.183  3.564   4.740  1.00 25.67 ? 52  GLU   A CB  1 
ATOM   402  C CG  . GLU   A 1 52  ? -5.246  2.512   4.776  1.00 31.96 ? 52  GLU   A CG  1 
ATOM   403  C CD  . GLU   A 1 52  ? -4.923  1.442   3.796  1.00 28.83 ? 52  GLU   A CD  1 
ATOM   404  O OE1 . GLU   A 1 52  ? -3.718  1.240   3.536  1.00 30.66 ? 52  GLU   A OE1 1 
ATOM   405  O OE2 . GLU   A 1 52  ? -5.863  0.833   3.244  1.00 40.90 ? 52  GLU   A OE2 1 
ATOM   406  N N   . LEU   A 1 53  ? -3.730  4.731   7.595  1.00 32.68 ? 53  LEU   A N   1 
ATOM   407  C CA  . LEU   A 1 53  ? -3.884  4.685   9.046  1.00 32.04 ? 53  LEU   A CA  1 
ATOM   408  C C   . LEU   A 1 53  ? -4.525  5.958   9.558  1.00 29.46 ? 53  LEU   A C   1 
ATOM   409  O O   . LEU   A 1 53  ? -5.417  5.912   10.411 1.00 32.21 ? 53  LEU   A O   1 
ATOM   410  C CB  . LEU   A 1 53  ? -2.540  4.458   9.718  1.00 28.97 ? 53  LEU   A CB  1 
ATOM   411  C CG  . LEU   A 1 53  ? -1.828  3.250   9.125  1.00 31.46 ? 53  LEU   A CG  1 
ATOM   412  C CD1 . LEU   A 1 53  ? -0.444  3.114   9.734  1.00 25.97 ? 53  LEU   A CD1 1 
ATOM   413  C CD2 . LEU   A 1 53  ? -2.690  2.019   9.393  1.00 33.27 ? 53  LEU   A CD2 1 
ATOM   414  N N   . LEU   A 1 54  ? -4.091  7.104   9.035  1.00 31.10 ? 54  LEU   A N   1 
ATOM   415  C CA  . LEU   A 1 54  ? -4.676  8.376   9.431  1.00 27.91 ? 54  LEU   A CA  1 
ATOM   416  C C   . LEU   A 1 54  ? -6.188  8.378   9.228  1.00 29.84 ? 54  LEU   A C   1 
ATOM   417  O O   . LEU   A 1 54  ? -6.940  8.840   10.092 1.00 31.33 ? 54  LEU   A O   1 
ATOM   418  C CB  . LEU   A 1 54  ? -4.013  9.498   8.623  1.00 29.42 ? 54  LEU   A CB  1 
ATOM   419  C CG  . LEU   A 1 54  ? -4.189  10.945  9.053  1.00 33.33 ? 54  LEU   A CG  1 
ATOM   420  C CD1 . LEU   A 1 54  ? -3.582  11.137  10.429 1.00 36.80 ? 54  LEU   A CD1 1 
ATOM   421  C CD2 . LEU   A 1 54  ? -3.458  11.805  8.035  1.00 32.28 ? 54  LEU   A CD2 1 
ATOM   422  N N   . ASP   A 1 55  ? -6.649  7.871   8.084  1.00 35.71 ? 55  ASP   A N   1 
ATOM   423  C CA  . ASP   A 1 55  ? -8.070  7.914   7.768  1.00 30.30 ? 55  ASP   A CA  1 
ATOM   424  C C   . ASP   A 1 55  ? -8.855  6.805   8.455  1.00 27.11 ? 55  ASP   A C   1 
ATOM   425  O O   . ASP   A 1 55  ? -10.034 6.996   8.746  1.00 36.16 ? 55  ASP   A O   1 
ATOM   426  C CB  . ASP   A 1 55  ? -8.302  7.779   6.262  1.00 23.53 ? 55  ASP   A CB  1 
ATOM   427  C CG  . ASP   A 1 55  ? -7.703  8.905   5.449  1.00 25.68 ? 55  ASP   A CG  1 
ATOM   428  O OD1 . ASP   A 1 55  ? -7.557  10.036  5.953  1.00 28.80 ? 55  ASP   A OD1 1 
ATOM   429  O OD2 . ASP   A 1 55  ? -7.423  8.634   4.262  1.00 29.40 ? 55  ASP   A OD2 1 
ATOM   430  N N   . CYS   A 1 56  ? -8.236  5.645   8.699  1.00 27.25 ? 56  CYS   A N   1 
ATOM   431  C CA  . CYS   A 1 56  ? -8.986  4.435   9.031  1.00 28.97 ? 56  CYS   A CA  1 
ATOM   432  C C   . CYS   A 1 56  ? -8.841  3.958   10.459 1.00 40.16 ? 56  CYS   A C   1 
ATOM   433  O O   . CYS   A 1 56  ? -9.639  3.122   10.886 1.00 38.81 ? 56  CYS   A O   1 
ATOM   434  C CB  . CYS   A 1 56  ? -8.572  3.278   8.122  1.00 35.39 ? 56  CYS   A CB  1 
ATOM   435  S SG  . CYS   A 1 56  ? -8.697  3.716   6.405  1.00 33.75 ? 56  CYS   A SG  1 
ATOM   436  N N   . ASP   A 1 57  ? -7.829  4.413   11.187 1.00 30.71 ? 57  ASP   A N   1 
ATOM   437  C CA  . ASP   A 1 57  ? -7.708  4.040   12.591 1.00 29.49 ? 57  ASP   A CA  1 
ATOM   438  C C   . ASP   A 1 57  ? -8.693  4.880   13.395 1.00 34.52 ? 57  ASP   A C   1 
ATOM   439  O O   . ASP   A 1 57  ? -8.441  6.045   13.701 1.00 32.89 ? 57  ASP   A O   1 
ATOM   440  C CB  . ASP   A 1 57  ? -6.279  4.208   13.077 1.00 30.51 ? 57  ASP   A CB  1 
ATOM   441  C CG  . ASP   A 1 57  ? -6.130  3.853   14.544 1.00 41.09 ? 57  ASP   A CG  1 
ATOM   442  O OD1 . ASP   A 1 57  ? -7.105  3.307   15.128 1.00 33.47 ? 57  ASP   A OD1 1 
ATOM   443  O OD2 . ASP   A 1 57  ? -5.051  4.141   15.105 1.00 38.70 ? 57  ASP   A OD2 1 
ATOM   444  N N   . ARG   A 1 58  ? -9.819  4.267   13.754 1.00 43.36 ? 58  ARG   A N   1 
ATOM   445  C CA  . ARG   A 1 58  ? -10.882 4.967   14.460 1.00 33.79 ? 58  ARG   A CA  1 
ATOM   446  C C   . ARG   A 1 58  ? -10.552 5.231   15.929 1.00 43.05 ? 58  ARG   A C   1 
ATOM   447  O O   . ARG   A 1 58  ? -11.183 6.103   16.543 1.00 40.04 ? 58  ARG   A O   1 
ATOM   448  C CB  . ARG   A 1 58  ? -12.160 4.147   14.334 1.00 42.99 ? 58  ARG   A CB  1 
ATOM   449  C CG  . ARG   A 1 58  ? -12.719 4.126   12.902 1.00 42.06 ? 58  ARG   A CG  1 
ATOM   450  C CD  . ARG   A 1 58  ? -13.924 3.243   12.852 1.00 45.27 ? 58  ARG   A CD  1 
ATOM   451  N NE  . ARG   A 1 58  ? -13.529 1.839   12.791 1.00 55.44 ? 58  ARG   A NE  1 
ATOM   452  C CZ  . ARG   A 1 58  ? -14.305 0.853   12.358 1.00 62.14 ? 58  ARG   A CZ  1 
ATOM   453  N NH1 . ARG   A 1 58  ? -15.549 1.077   11.949 1.00 51.08 ? 58  ARG   A NH1 1 
ATOM   454  N NH2 . ARG   A 1 58  ? -13.828 -0.391  12.351 1.00 57.31 ? 58  ARG   A NH2 1 
ATOM   455  N N   . ARG   A 1 59  ? -9.584  4.499   16.503 1.00 33.55 ? 59  ARG   A N   1 
ATOM   456  C CA  . ARG   A 1 59  ? -9.143  4.733   17.880 1.00 32.96 ? 59  ARG   A CA  1 
ATOM   457  C C   . ARG   A 1 59  ? -8.193  5.907   17.987 1.00 40.26 ? 59  ARG   A C   1 
ATOM   458  O O   . ARG   A 1 59  ? -7.945  6.388   19.095 1.00 42.45 ? 59  ARG   A O   1 
ATOM   459  C CB  . ARG   A 1 59  ? -8.415  3.518   18.450 1.00 32.44 ? 59  ARG   A CB  1 
ATOM   460  C CG  . ARG   A 1 59  ? -9.163  2.208   18.405 1.00 54.87 ? 59  ARG   A CG  1 
ATOM   461  C CD  . ARG   A 1 59  ? -8.277  1.082   18.940 1.00 43.26 ? 59  ARG   A CD  1 
ATOM   462  N NE  . ARG   A 1 59  ? -8.960  -0.205  18.875 1.00 63.20 ? 59  ARG   A NE  1 
ATOM   463  C CZ  . ARG   A 1 59  ? -9.722  -0.694  19.846 1.00 65.36 ? 59  ARG   A CZ  1 
ATOM   464  N NH1 . ARG   A 1 59  ? -9.896  -0.037  20.985 1.00 53.13 ? 59  ARG   A NH1 1 
ATOM   465  N NH2 . ARG   A 1 59  ? -10.329 -1.867  19.667 1.00 63.75 ? 59  ARG   A NH2 1 
ATOM   466  N N   . SER   A 1 60  ? -7.607  6.337   16.876 1.00 39.90 ? 60  SER   A N   1 
ATOM   467  C CA  . SER   A 1 60  ? -6.743  7.505   16.873 1.00 34.54 ? 60  SER   A CA  1 
ATOM   468  C C   . SER   A 1 60  ? -7.534  8.719   16.415 1.00 34.00 ? 60  SER   A C   1 
ATOM   469  O O   . SER   A 1 60  ? -8.674  8.613   15.947 1.00 39.34 ? 60  SER   A O   1 
ATOM   470  C CB  . SER   A 1 60  ? -5.521  7.266   15.980 1.00 34.38 ? 60  SER   A CB  1 
ATOM   471  O OG  . SER   A 1 60  ? -4.757  6.179   16.492 1.00 33.48 ? 60  SER   A OG  1 
ATOM   472  N N   . TYR   A 1 61  ? -6.910  9.887   16.546 1.00 38.01 ? 61  TYR   A N   1 
ATOM   473  C CA  . TYR   A 1 61  ? -7.557  11.166  16.275 1.00 33.41 ? 61  TYR   A CA  1 
ATOM   474  C C   . TYR   A 1 61  ? -6.991  11.873  15.045 1.00 37.64 ? 61  TYR   A C   1 
ATOM   475  O O   . TYR   A 1 61  ? -6.882  13.101  15.012 1.00 32.65 ? 61  TYR   A O   1 
ATOM   476  C CB  . TYR   A 1 61  ? -7.488  12.051  17.512 1.00 36.17 ? 61  TYR   A CB  1 
ATOM   477  C CG  . TYR   A 1 61  ? -7.627  11.254  18.792 1.00 52.07 ? 61  TYR   A CG  1 
ATOM   478  C CD1 . TYR   A 1 61  ? -8.858  10.723  19.164 1.00 48.74 ? 61  TYR   A CD1 1 
ATOM   479  C CD2 . TYR   A 1 61  ? -6.527  10.992  19.599 1.00 46.67 ? 61  TYR   A CD2 1 
ATOM   480  C CE1 . TYR   A 1 61  ? -9.000  9.978   20.337 1.00 51.04 ? 61  TYR   A CE1 1 
ATOM   481  C CE2 . TYR   A 1 61  ? -6.654  10.254  20.766 1.00 54.12 ? 61  TYR   A CE2 1 
ATOM   482  C CZ  . TYR   A 1 61  ? -7.891  9.748   21.128 1.00 52.99 ? 61  TYR   A CZ  1 
ATOM   483  O OH  . TYR   A 1 61  ? -8.002  9.012   22.290 1.00 64.87 ? 61  TYR   A OH  1 
ATOM   484  N N   . GLY   A 1 62  ? -6.679  11.098  14.009 1.00 37.26 ? 62  GLY   A N   1 
ATOM   485  C CA  . GLY   A 1 62  ? -6.210  11.668  12.760 1.00 31.07 ? 62  GLY   A CA  1 
ATOM   486  C C   . GLY   A 1 62  ? -5.013  12.573  12.953 1.00 35.15 ? 62  GLY   A C   1 
ATOM   487  O O   . GLY   A 1 62  ? -3.998  12.199  13.568 1.00 36.22 ? 62  GLY   A O   1 
ATOM   488  N N   . CYS   A 1 63  ? -5.116  13.786  12.418 1.00 28.77 ? 63  CYS   A N   1 
ATOM   489  C CA  . CYS   A 1 63  ? -4.038  14.754  12.564 1.00 25.18 ? 63  CYS   A CA  1 
ATOM   490  C C   . CYS   A 1 63  ? -3.956  15.329  13.964 1.00 32.59 ? 63  CYS   A C   1 
ATOM   491  O O   . CYS   A 1 63  ? -3.033  16.099  14.242 1.00 36.82 ? 63  CYS   A O   1 
ATOM   492  C CB  . CYS   A 1 63  ? -4.197  15.913  11.572 1.00 30.09 ? 63  CYS   A CB  1 
ATOM   493  S SG  . CYS   A 1 63  ? -3.910  15.428  9.887  1.00 33.48 ? 63  CYS   A SG  1 
ATOM   494  N N   . ASN   A 1 64  ? -4.890  14.999  14.843 1.00 31.47 ? 64  ASN   A N   1 
ATOM   495  C CA  . ASN   A 1 64  ? -4.805  15.477  16.212 1.00 38.18 ? 64  ASN   A CA  1 
ATOM   496  C C   . ASN   A 1 64  ? -4.027  14.522  17.094 1.00 38.15 ? 64  ASN   A C   1 
ATOM   497  O O   . ASN   A 1 64  ? -3.952  14.728  18.308 1.00 41.86 ? 64  ASN   A O   1 
ATOM   498  C CB  . ASN   A 1 64  ? -6.203  15.722  16.764 1.00 33.36 ? 64  ASN   A CB  1 
ATOM   499  C CG  . ASN   A 1 64  ? -6.765  17.059  16.307 1.00 43.73 ? 64  ASN   A CG  1 
ATOM   500  O OD1 . ASN   A 1 64  ? -7.863  17.132  15.756 1.00 54.72 ? 64  ASN   A OD1 1 
ATOM   501  N ND2 . ASN   A 1 64  ? -5.978  18.117  16.480 1.00 50.40 ? 64  ASN   A ND2 1 
ATOM   502  N N   . GLY   A 1 65  ? -3.434  13.498  16.502 1.00 37.22 ? 65  GLY   A N   1 
ATOM   503  C CA  . GLY   A 1 65  ? -2.643  12.531  17.227 1.00 36.10 ? 65  GLY   A CA  1 
ATOM   504  C C   . GLY   A 1 65  ? -3.305  11.169  17.250 1.00 36.73 ? 65  GLY   A C   1 
ATOM   505  O O   . GLY   A 1 65  ? -4.449  10.981  16.835 1.00 37.91 ? 65  GLY   A O   1 
ATOM   506  N N   . GLY   A 1 66  ? -2.555  10.209  17.759 1.00 31.86 ? 66  GLY   A N   1 
ATOM   507  C CA  . GLY   A 1 66  ? -3.061  8.866   17.816 1.00 29.15 ? 66  GLY   A CA  1 
ATOM   508  C C   . GLY   A 1 66  ? -2.056  7.925   18.422 1.00 33.53 ? 66  GLY   A C   1 
ATOM   509  O O   . GLY   A 1 66  ? -1.088  8.339   19.062 1.00 32.16 ? 66  GLY   A O   1 
ATOM   510  N N   . TYR   A 1 67  ? -2.300  6.642   18.199 1.00 32.16 ? 67  TYR   A N   1 
ATOM   511  C CA  . TYR   A 1 67  ? -1.589  5.591   18.895 1.00 36.93 ? 67  TYR   A CA  1 
ATOM   512  C C   . TYR   A 1 67  ? -0.924  4.682   17.881 1.00 33.70 ? 67  TYR   A C   1 
ATOM   513  O O   . TYR   A 1 67  ? -1.615  4.097   17.026 1.00 36.84 ? 67  TYR   A O   1 
ATOM   514  C CB  . TYR   A 1 67  ? -2.537  4.802   19.774 1.00 34.35 ? 67  TYR   A CB  1 
ATOM   515  C CG  . TYR   A 1 67  ? -3.315  5.698   20.681 1.00 36.89 ? 67  TYR   A CG  1 
ATOM   516  C CD1 . TYR   A 1 67  ? -2.720  6.244   21.818 1.00 40.57 ? 67  TYR   A CD1 1 
ATOM   517  C CD2 . TYR   A 1 67  ? -4.648  6.009   20.412 1.00 41.86 ? 67  TYR   A CD2 1 
ATOM   518  C CE1 . TYR   A 1 67  ? -3.428  7.072   22.668 1.00 47.50 ? 67  TYR   A CE1 1 
ATOM   519  C CE2 . TYR   A 1 67  ? -5.372  6.841   21.265 1.00 44.22 ? 67  TYR   A CE2 1 
ATOM   520  C CZ  . TYR   A 1 67  ? -4.753  7.365   22.394 1.00 46.27 ? 67  TYR   A CZ  1 
ATOM   521  O OH  . TYR   A 1 67  ? -5.451  8.193   23.243 1.00 52.10 ? 67  TYR   A OH  1 
ATOM   522  N N   . PRO   A 1 68  ? 0.391   4.553   17.930 1.00 31.69 ? 68  PRO   A N   1 
ATOM   523  C CA  . PRO   A 1 68  ? 1.061   3.547   17.095 1.00 25.34 ? 68  PRO   A CA  1 
ATOM   524  C C   . PRO   A 1 68  ? 0.522   2.140   17.292 1.00 30.88 ? 68  PRO   A C   1 
ATOM   525  O O   . PRO   A 1 68  ? 0.431   1.389   16.313 1.00 34.50 ? 68  PRO   A O   1 
ATOM   526  C CB  . PRO   A 1 68  ? 2.534   3.661   17.528 1.00 28.88 ? 68  PRO   A CB  1 
ATOM   527  C CG  . PRO   A 1 68  ? 2.668   5.021   18.134 1.00 35.95 ? 68  PRO   A CG  1 
ATOM   528  C CD  . PRO   A 1 68  ? 1.326   5.383   18.710 1.00 31.72 ? 68  PRO   A CD  1 
ATOM   529  N N   . TRP   A 1 69  ? 0.167   1.751   18.527 1.00 32.49 ? 69  TRP   A N   1 
ATOM   530  C CA  . TRP   A 1 69  ? -0.302  0.386   18.755 1.00 32.00 ? 69  TRP   A CA  1 
ATOM   531  C C   . TRP   A 1 69  ? -1.635  0.125   18.059 1.00 33.84 ? 69  TRP   A C   1 
ATOM   532  O O   . TRP   A 1 69  ? -1.849  -0.964  17.507 1.00 33.67 ? 69  TRP   A O   1 
ATOM   533  C CB  . TRP   A 1 69  ? -0.382  0.088   20.259 1.00 35.46 ? 69  TRP   A CB  1 
ATOM   534  C CG  . TRP   A 1 69  ? -1.146  1.089   21.049 1.00 43.21 ? 69  TRP   A CG  1 
ATOM   535  C CD1 . TRP   A 1 69  ? -0.639  2.166   21.729 1.00 43.27 ? 69  TRP   A CD1 1 
ATOM   536  C CD2 . TRP   A 1 69  ? -2.564  1.112   21.253 1.00 42.61 ? 69  TRP   A CD2 1 
ATOM   537  N NE1 . TRP   A 1 69  ? -1.663  2.860   22.343 1.00 38.10 ? 69  TRP   A NE1 1 
ATOM   538  C CE2 . TRP   A 1 69  ? -2.852  2.235   22.062 1.00 43.01 ? 69  TRP   A CE2 1 
ATOM   539  C CE3 . TRP   A 1 69  ? -3.619  0.287   20.839 1.00 45.85 ? 69  TRP   A CE3 1 
ATOM   540  C CZ2 . TRP   A 1 69  ? -4.153  2.559   22.456 1.00 41.92 ? 69  TRP   A CZ2 1 
ATOM   541  C CZ3 . TRP   A 1 69  ? -4.916  0.615   21.231 1.00 45.22 ? 69  TRP   A CZ3 1 
ATOM   542  C CH2 . TRP   A 1 69  ? -5.165  1.740   22.033 1.00 40.34 ? 69  TRP   A CH2 1 
ATOM   543  N N   . SER   A 1 70  ? -2.540  1.101   18.050 1.00 30.44 ? 70  SER   A N   1 
ATOM   544  C CA  . SER   A 1 70  ? -3.809  0.861   17.360 1.00 27.54 ? 70  SER   A CA  1 
ATOM   545  C C   . SER   A 1 70  ? -3.620  0.846   15.846 1.00 32.68 ? 70  SER   A C   1 
ATOM   546  O O   . SER   A 1 70  ? -4.253  0.051   15.140 1.00 39.42 ? 70  SER   A O   1 
ATOM   547  C CB  . SER   A 1 70  ? -4.852  1.900   17.762 1.00 34.19 ? 70  SER   A CB  1 
ATOM   548  O OG  . SER   A 1 70  ? -4.439  3.202   17.398 1.00 45.66 ? 70  SER   A OG  1 
ATOM   549  N N   . ALA   A 1 71  ? -2.766  1.724   15.323 1.00 31.33 ? 71  ALA   A N   1 
ATOM   550  C CA  . ALA   A 1 71  ? -2.466  1.687   13.895 1.00 30.08 ? 71  ALA   A CA  1 
ATOM   551  C C   . ALA   A 1 71  ? -1.890  0.332   13.522 1.00 29.37 ? 71  ALA   A C   1 
ATOM   552  O O   . ALA   A 1 71  ? -2.221  -0.243  12.475 1.00 29.26 ? 71  ALA   A O   1 
ATOM   553  C CB  . ALA   A 1 71  ? -1.497  2.822   13.551 1.00 33.05 ? 71  ALA   A CB  1 
ATOM   554  N N   . LEU   A 1 72  ? -1.058  -0.217  14.405 1.00 31.66 ? 72  LEU   A N   1 
ATOM   555  C CA  . LEU   A 1 72  ? -0.429  -1.503  14.141 1.00 39.05 ? 72  LEU   A CA  1 
ATOM   556  C C   . LEU   A 1 72  ? -1.431  -2.635  14.290 1.00 36.86 ? 72  LEU   A C   1 
ATOM   557  O O   . LEU   A 1 72  ? -1.333  -3.662  13.597 1.00 31.19 ? 72  LEU   A O   1 
ATOM   558  C CB  . LEU   A 1 72  ? 0.739   -1.693  15.097 1.00 31.21 ? 72  LEU   A CB  1 
ATOM   559  C CG  . LEU   A 1 72  ? 1.999   -0.918  14.686 1.00 32.38 ? 72  LEU   A CG  1 
ATOM   560  C CD1 . LEU   A 1 72  ? 3.100   -1.083  15.738 1.00 38.48 ? 72  LEU   A CD1 1 
ATOM   561  C CD2 . LEU   A 1 72  ? 2.467   -1.354  13.293 1.00 32.11 ? 72  LEU   A CD2 1 
ATOM   562  N N   . GLN   A 1 73  ? -2.377  -2.465  15.207 1.00 33.37 ? 73  GLN   A N   1 
ATOM   563  C CA  . GLN   A 1 73  ? -3.455  -3.431  15.343 1.00 37.02 ? 73  GLN   A CA  1 
ATOM   564  C C   . GLN   A 1 73  ? -4.343  -3.408  14.102 1.00 38.30 ? 73  GLN   A C   1 
ATOM   565  O O   . GLN   A 1 73  ? -4.730  -4.463  13.589 1.00 42.99 ? 73  GLN   A O   1 
ATOM   566  C CB  . GLN   A 1 73  ? -4.231  -3.132  16.629 1.00 30.13 ? 73  GLN   A CB  1 
ATOM   567  C CG  . GLN   A 1 73  ? -5.290  -4.157  16.959 1.00 51.79 ? 73  GLN   A CG  1 
ATOM   568  C CD  . GLN   A 1 73  ? -4.685  -5.466  17.422 1.00 61.13 ? 73  GLN   A CD  1 
ATOM   569  O OE1 . GLN   A 1 73  ? -4.813  -6.493  16.748 1.00 60.15 ? 73  GLN   A OE1 1 
ATOM   570  N NE2 . GLN   A 1 73  ? -4.021  -5.440  18.581 1.00 58.46 ? 73  GLN   A NE2 1 
ATOM   571  N N   . LEU   A 1 74  ? -4.589  -2.211  13.550 1.00 39.13 ? 74  LEU   A N   1 
ATOM   572  C CA  . LEU   A 1 74  ? -5.394  -2.090  12.335 1.00 36.39 ? 74  LEU   A CA  1 
ATOM   573  C C   . LEU   A 1 74  ? -4.761  -2.825  11.157 1.00 32.86 ? 74  LEU   A C   1 
ATOM   574  O O   . LEU   A 1 74  ? -5.464  -3.442  10.350 1.00 39.41 ? 74  LEU   A O   1 
ATOM   575  C CB  . LEU   A 1 74  ? -5.594  -0.609  12.009 1.00 37.97 ? 74  LEU   A CB  1 
ATOM   576  C CG  . LEU   A 1 74  ? -6.531  -0.260  10.862 1.00 46.07 ? 74  LEU   A CG  1 
ATOM   577  C CD1 . LEU   A 1 74  ? -7.970  -0.465  11.335 1.00 46.37 ? 74  LEU   A CD1 1 
ATOM   578  C CD2 . LEU   A 1 74  ? -6.283  1.192   10.417 1.00 43.48 ? 74  LEU   A CD2 1 
ATOM   579  N N   . VAL   A 1 75  ? -3.433  -2.775  11.039 1.00 40.20 ? 75  VAL   A N   1 
ATOM   580  C CA  . VAL   A 1 75  ? -2.754  -3.481  9.959  1.00 33.90 ? 75  VAL   A CA  1 
ATOM   581  C C   . VAL   A 1 75  ? -2.768  -4.980  10.214 1.00 37.51 ? 75  VAL   A C   1 
ATOM   582  O O   . VAL   A 1 75  ? -2.781  -5.780  9.272  1.00 38.23 ? 75  VAL   A O   1 
ATOM   583  C CB  . VAL   A 1 75  ? -1.318  -2.932  9.800  1.00 29.39 ? 75  VAL   A CB  1 
ATOM   584  C CG1 . VAL   A 1 75  ? -0.561  -3.673  8.713  1.00 27.90 ? 75  VAL   A CG1 1 
ATOM   585  C CG2 . VAL   A 1 75  ? -1.361  -1.473  9.482  1.00 29.91 ? 75  VAL   A CG2 1 
ATOM   586  N N   . ALA   A 1 76  ? -2.755  -5.388  11.487 1.00 33.55 ? 76  ALA   A N   1 
ATOM   587  C CA  . ALA   A 1 76  ? -2.826  -6.810  11.797 1.00 41.65 ? 76  ALA   A CA  1 
ATOM   588  C C   . ALA   A 1 76  ? -4.218  -7.361  11.529 1.00 40.85 ? 76  ALA   A C   1 
ATOM   589  O O   . ALA   A 1 76  ? -4.362  -8.503  11.078 1.00 42.51 ? 76  ALA   A O   1 
ATOM   590  C CB  . ALA   A 1 76  ? -2.432  -7.051  13.254 1.00 40.03 ? 76  ALA   A CB  1 
ATOM   591  N N   . GLN   A 1 77  ? -5.252  -6.569  11.791 1.00 41.23 ? 77  GLN   A N   1 
ATOM   592  C CA  . GLN   A 1 77  ? -6.608  -7.068  11.593 1.00 39.06 ? 77  GLN   A CA  1 
ATOM   593  C C   . GLN   A 1 77  ? -7.032  -6.973  10.132 1.00 43.58 ? 77  GLN   A C   1 
ATOM   594  O O   . GLN   A 1 77  ? -7.589  -7.919  9.572  1.00 45.33 ? 77  GLN   A O   1 
ATOM   595  C CB  . GLN   A 1 77  ? -7.565  -6.304  12.499 1.00 43.59 ? 77  GLN   A CB  1 
ATOM   596  C CG  . GLN   A 1 77  ? -7.086  -6.284  13.936 1.00 58.47 ? 77  GLN   A CG  1 
ATOM   597  C CD  . GLN   A 1 77  ? -8.109  -5.720  14.895 1.00 62.64 ? 77  GLN   A CD  1 
ATOM   598  O OE1 . GLN   A 1 77  ? -8.950  -4.907  14.515 1.00 65.35 ? 77  GLN   A OE1 1 
ATOM   599  N NE2 . GLN   A 1 77  ? -8.030  -6.132  16.150 1.00 70.86 ? 77  GLN   A NE2 1 
ATOM   600  N N   . TYR   A 1 78  ? -6.763  -5.849  9.487  1.00 39.29 ? 78  TYR   A N   1 
ATOM   601  C CA  . TYR   A 1 78  ? -7.176  -5.652  8.106  1.00 43.02 ? 78  TYR   A CA  1 
ATOM   602  C C   . TYR   A 1 78  ? -5.970  -5.735  7.179  1.00 42.28 ? 78  TYR   A C   1 
ATOM   603  O O   . TYR   A 1 78  ? -5.822  -6.714  6.445  1.00 49.13 ? 78  TYR   A O   1 
ATOM   604  C CB  . TYR   A 1 78  ? -7.933  -4.329  7.983  1.00 36.76 ? 78  TYR   A CB  1 
ATOM   605  C CG  . TYR   A 1 78  ? -9.098  -4.274  8.958  1.00 43.73 ? 78  TYR   A CG  1 
ATOM   606  C CD1 . TYR   A 1 78  ? -10.338 -4.833  8.627  1.00 54.79 ? 78  TYR   A CD1 1 
ATOM   607  C CD2 . TYR   A 1 78  ? -8.945  -3.736  10.228 1.00 49.96 ? 78  TYR   A CD2 1 
ATOM   608  C CE1 . TYR   A 1 78  ? -11.405 -4.812  9.524  1.00 51.26 ? 78  TYR   A CE1 1 
ATOM   609  C CE2 . TYR   A 1 78  ? -10.003 -3.714  11.140 1.00 58.78 ? 78  TYR   A CE2 1 
ATOM   610  C CZ  . TYR   A 1 78  ? -11.230 -4.251  10.785 1.00 63.04 ? 78  TYR   A CZ  1 
ATOM   611  O OH  . TYR   A 1 78  ? -12.264 -4.216  11.700 1.00 66.94 ? 78  TYR   A OH  1 
ATOM   612  N N   . GLY   A 1 79  ? -5.080  -4.782  7.232  1.00 36.58 ? 79  GLY   A N   1 
ATOM   613  C CA  . GLY   A 1 79  ? -3.988  -4.730  6.292  1.00 35.24 ? 79  GLY   A CA  1 
ATOM   614  C C   . GLY   A 1 79  ? -3.709  -3.289  5.931  1.00 34.67 ? 79  GLY   A C   1 
ATOM   615  O O   . GLY   A 1 79  ? -4.253  -2.359  6.524  1.00 32.48 ? 79  GLY   A O   1 
ATOM   616  N N   . ILE   A 1 80  ? -2.847  -3.097  4.940  1.00 37.33 ? 80  ILE   A N   1 
ATOM   617  C CA  . ILE   A 1 80  ? -2.457  -1.752  4.551  1.00 31.82 ? 80  ILE   A CA  1 
ATOM   618  C C   . ILE   A 1 80  ? -2.115  -1.770  3.070  1.00 29.04 ? 80  ILE   A C   1 
ATOM   619  O O   . ILE   A 1 80  ? -1.671  -2.788  2.532  1.00 33.03 ? 80  ILE   A O   1 
ATOM   620  C CB  . ILE   A 1 80  ? -1.269  -1.246  5.406  1.00 32.96 ? 80  ILE   A CB  1 
ATOM   621  C CG1 . ILE   A 1 80  ? -1.171  0.281   5.303  1.00 28.09 ? 80  ILE   A CG1 1 
ATOM   622  C CG2 . ILE   A 1 80  ? 0.040   -1.933  4.972  1.00 29.51 ? 80  ILE   A CG2 1 
ATOM   623  C CD1 . ILE   A 1 80  ? -0.227  0.917   6.331  1.00 33.35 ? 80  ILE   A CD1 1 
ATOM   624  N N   . HIS   A 1 81  ? -2.322  -0.629  2.417  1.00 27.55 ? 81  HIS   A N   1 
ATOM   625  C CA  . HIS   A 1 81  ? -2.064  -0.481  0.992  1.00 30.84 ? 81  HIS   A CA  1 
ATOM   626  C C   . HIS   A 1 81  ? -0.693  0.124   0.778  1.00 33.69 ? 81  HIS   A C   1 
ATOM   627  O O   . HIS   A 1 81  ? -0.085  0.679   1.695  1.00 30.12 ? 81  HIS   A O   1 
ATOM   628  C CB  . HIS   A 1 81  ? -3.123  0.396   0.328  1.00 30.29 ? 81  HIS   A CB  1 
ATOM   629  C CG  . HIS   A 1 81  ? -4.430  -0.305  0.152  1.00 35.35 ? 81  HIS   A CG  1 
ATOM   630  N ND1 . HIS   A 1 81  ? -5.393  -0.322  1.135  1.00 31.60 ? 81  HIS   A ND1 1 
ATOM   631  C CD2 . HIS   A 1 81  ? -4.908  -1.063  -0.864 1.00 32.87 ? 81  HIS   A CD2 1 
ATOM   632  C CE1 . HIS   A 1 81  ? -6.419  -1.047  0.726  1.00 40.18 ? 81  HIS   A CE1 1 
ATOM   633  N NE2 . HIS   A 1 81  ? -6.146  -1.514  -0.479 1.00 40.63 ? 81  HIS   A NE2 1 
ATOM   634  N N   . TYR   A 1 82  ? -0.233  0.028   -0.467 1.00 24.09 ? 82  TYR   A N   1 
ATOM   635  C CA  . TYR   A 1 82  ? 0.974   0.720   -0.884 1.00 33.45 ? 82  TYR   A CA  1 
ATOM   636  C C   . TYR   A 1 82  ? 0.781   2.215   -0.754 1.00 28.95 ? 82  TYR   A C   1 
ATOM   637  O O   . TYR   A 1 82  ? -0.305  2.750   -1.012 1.00 32.27 ? 82  TYR   A O   1 
ATOM   638  C CB  . TYR   A 1 82  ? 1.329   0.374   -2.333 1.00 30.96 ? 82  TYR   A CB  1 
ATOM   639  C CG  . TYR   A 1 82  ? 1.853   -1.027  -2.510 1.00 33.95 ? 82  TYR   A CG  1 
ATOM   640  C CD1 . TYR   A 1 82  ? 2.912   -1.489  -1.739 1.00 34.42 ? 82  TYR   A CD1 1 
ATOM   641  C CD2 . TYR   A 1 82  ? 1.276   -1.898  -3.434 1.00 38.97 ? 82  TYR   A CD2 1 
ATOM   642  C CE1 . TYR   A 1 82  ? 3.393   -2.761  -1.891 1.00 41.10 ? 82  TYR   A CE1 1 
ATOM   643  C CE2 . TYR   A 1 82  ? 1.746   -3.193  -3.587 1.00 36.42 ? 82  TYR   A CE2 1 
ATOM   644  C CZ  . TYR   A 1 82  ? 2.805   -3.611  -2.817 1.00 37.00 ? 82  TYR   A CZ  1 
ATOM   645  O OH  . TYR   A 1 82  ? 3.281   -4.885  -2.958 1.00 39.57 ? 82  TYR   A OH  1 
ATOM   646  N N   . ARG   A 1 83  ? 1.846   2.892   -0.350 1.00 27.91 ? 83  ARG   A N   1 
ATOM   647  C CA  . ARG   A 1 83  ? 1.793   4.344   -0.275 1.00 25.44 ? 83  ARG   A CA  1 
ATOM   648  C C   . ARG   A 1 83  ? 1.378   4.947   -1.621 1.00 29.68 ? 83  ARG   A C   1 
ATOM   649  O O   . ARG   A 1 83  ? 0.613   5.913   -1.669 1.00 27.96 ? 83  ARG   A O   1 
ATOM   650  C CB  . ARG   A 1 83  ? 3.149   4.869   0.175  1.00 29.80 ? 83  ARG   A CB  1 
ATOM   651  C CG  . ARG   A 1 83  ? 3.126   6.310   0.581  1.00 24.93 ? 83  ARG   A CG  1 
ATOM   652  C CD  . ARG   A 1 83  ? 4.468   6.695   1.127  1.00 33.87 ? 83  ARG   A CD  1 
ATOM   653  N NE  . ARG   A 1 83  ? 4.302   7.689   2.174  1.00 32.53 ? 83  ARG   A NE  1 
ATOM   654  C CZ  . ARG   A 1 83  ? 4.658   8.958   2.069  1.00 29.08 ? 83  ARG   A CZ  1 
ATOM   655  N NH1 . ARG   A 1 83  ? 5.231   9.426   0.974  1.00 29.40 ? 83  ARG   A NH1 1 
ATOM   656  N NH2 . ARG   A 1 83  ? 4.450   9.772   3.100  1.00 30.65 ? 83  ARG   A NH2 1 
ATOM   657  N N   . ASN   A 1 84  ? 1.830   4.349   -2.723 1.00 29.81 ? 84  ASN   A N   1 
ATOM   658  C CA  . ASN   A 1 84  ? 1.458   4.828   -4.054 1.00 35.66 ? 84  ASN   A CA  1 
ATOM   659  C C   . ASN   A 1 84  ? -0.049  4.799   -4.273 1.00 36.05 ? 84  ASN   A C   1 
ATOM   660  O O   . ASN   A 1 84  ? -0.615  5.713   -4.888 1.00 34.96 ? 84  ASN   A O   1 
ATOM   661  C CB  . ASN   A 1 84  ? 2.136   3.964   -5.111 1.00 39.45 ? 84  ASN   A CB  1 
ATOM   662  C CG  . ASN   A 1 84  ? 2.645   4.772   -6.258 1.00 59.63 ? 84  ASN   A CG  1 
ATOM   663  O OD1 . ASN   A 1 84  ? 3.410   5.721   -6.070 1.00 68.99 ? 84  ASN   A OD1 1 
ATOM   664  N ND2 . ASN   A 1 84  ? 2.188   4.438   -7.465 1.00 64.19 ? 84  ASN   A ND2 1 
ATOM   665  N N   . THR   A 1 85  ? -0.703  3.734   -3.804 1.00 30.78 ? 85  THR   A N   1 
ATOM   666  C CA  . THR   A 1 85  ? -2.126  3.533   -4.027 1.00 35.81 ? 85  THR   A CA  1 
ATOM   667  C C   . THR   A 1 85  ? -2.932  4.502   -3.181 1.00 31.24 ? 85  THR   A C   1 
ATOM   668  O O   . THR   A 1 85  ? -4.054  4.883   -3.538 1.00 30.70 ? 85  THR   A O   1 
ATOM   669  C CB  . THR   A 1 85  ? -2.477  2.093   -3.648 1.00 38.50 ? 85  THR   A CB  1 
ATOM   670  O OG1 . THR   A 1 85  ? -1.682  1.196   -4.428 1.00 38.40 ? 85  THR   A OG1 1 
ATOM   671  C CG2 . THR   A 1 85  ? -3.949  1.793   -3.912 1.00 39.82 ? 85  THR   A CG2 1 
ATOM   672  N N   . TYR   A 1 86  ? -2.353  4.912   -2.063 1.00 26.14 ? 86  TYR   A N   1 
ATOM   673  C CA  . TYR   A 1 86  ? -3.053  5.640   -1.013 1.00 27.79 ? 86  TYR   A CA  1 
ATOM   674  C C   . TYR   A 1 86  ? -2.072  6.676   -0.499 1.00 23.32 ? 86  TYR   A C   1 
ATOM   675  O O   . TYR   A 1 86  ? -1.567  6.577   0.622  1.00 28.91 ? 86  TYR   A O   1 
ATOM   676  C CB  . TYR   A 1 86  ? -3.510  4.663   0.079  1.00 27.85 ? 86  TYR   A CB  1 
ATOM   677  C CG  . TYR   A 1 86  ? -4.689  5.103   0.934  1.00 26.81 ? 86  TYR   A CG  1 
ATOM   678  C CD1 . TYR   A 1 86  ? -4.903  6.436   1.242  1.00 21.91 ? 86  TYR   A CD1 1 
ATOM   679  C CD2 . TYR   A 1 86  ? -5.580  4.163   1.441  1.00 30.73 ? 86  TYR   A CD2 1 
ATOM   680  C CE1 . TYR   A 1 86  ? -5.979  6.822   2.034  1.00 26.48 ? 86  TYR   A CE1 1 
ATOM   681  C CE2 . TYR   A 1 86  ? -6.659  4.534   2.204  1.00 28.25 ? 86  TYR   A CE2 1 
ATOM   682  C CZ  . TYR   A 1 86  ? -6.857  5.861   2.500  1.00 28.99 ? 86  TYR   A CZ  1 
ATOM   683  O OH  . TYR   A 1 86  ? -7.923  6.225   3.282  1.00 28.26 ? 86  TYR   A OH  1 
ATOM   684  N N   . PRO   A 1 87  ? -1.757  7.685   -1.313 1.00 25.76 ? 87  PRO   A N   1 
ATOM   685  C CA  . PRO   A 1 87  ? -0.664  8.597   -0.958 1.00 26.38 ? 87  PRO   A CA  1 
ATOM   686  C C   . PRO   A 1 87  ? -1.030  9.511   0.191  1.00 28.28 ? 87  PRO   A C   1 
ATOM   687  O O   . PRO   A 1 87  ? -2.198  9.698   0.531  1.00 26.27 ? 87  PRO   A O   1 
ATOM   688  C CB  . PRO   A 1 87  ? -0.424  9.403   -2.241 1.00 26.85 ? 87  PRO   A CB  1 
ATOM   689  C CG  . PRO   A 1 87  ? -1.752  9.352   -2.965 1.00 24.54 ? 87  PRO   A CG  1 
ATOM   690  C CD  . PRO   A 1 87  ? -2.291  7.964   -2.663 1.00 28.72 ? 87  PRO   A CD  1 
ATOM   691  N N   . TYR   A 1 88  ? 0.010   10.105  0.766  1.00 26.08 ? 88  TYR   A N   1 
ATOM   692  C CA  . TYR   A 1 88  ? -0.150  10.988  1.909  1.00 28.79 ? 88  TYR   A CA  1 
ATOM   693  C C   . TYR   A 1 88  ? -0.714  12.328  1.478  1.00 31.10 ? 88  TYR   A C   1 
ATOM   694  O O   . TYR   A 1 88  ? -0.204  12.972  0.553  1.00 31.60 ? 88  TYR   A O   1 
ATOM   695  C CB  . TYR   A 1 88  ? 1.186   11.231  2.589  1.00 28.55 ? 88  TYR   A CB  1 
ATOM   696  C CG  . TYR   A 1 88  ? 1.073   11.970  3.894  1.00 30.91 ? 88  TYR   A CG  1 
ATOM   697  C CD1 . TYR   A 1 88  ? 0.318   11.451  4.943  1.00 33.41 ? 88  TYR   A CD1 1 
ATOM   698  C CD2 . TYR   A 1 88  ? 1.731   13.183  4.088  1.00 23.73 ? 88  TYR   A CD2 1 
ATOM   699  C CE1 . TYR   A 1 88  ? 0.231   12.111  6.152  1.00 31.58 ? 88  TYR   A CE1 1 
ATOM   700  C CE2 . TYR   A 1 88  ? 1.652   13.846  5.300  1.00 29.93 ? 88  TYR   A CE2 1 
ATOM   701  C CZ  . TYR   A 1 88  ? 0.897   13.312  6.324  1.00 22.91 ? 88  TYR   A CZ  1 
ATOM   702  O OH  . TYR   A 1 88  ? 0.824   13.976  7.538  1.00 25.35 ? 88  TYR   A OH  1 
ATOM   703  N N   . GLU   A 1 89  ? -1.729  12.765  2.185  1.00 25.81 ? 89  GLU   A N   1 
ATOM   704  C CA  . GLU   A 1 89  ? -2.342  14.043  1.902  1.00 33.73 ? 89  GLU   A CA  1 
ATOM   705  C C   . GLU   A 1 89  ? -2.177  15.051  3.024  1.00 33.06 ? 89  GLU   A C   1 
ATOM   706  O O   . GLU   A 1 89  ? -2.467  16.230  2.808  1.00 28.54 ? 89  GLU   A O   1 
ATOM   707  C CB  . GLU   A 1 89  ? -3.826  13.840  1.602  1.00 28.26 ? 89  GLU   A CB  1 
ATOM   708  C CG  . GLU   A 1 89  ? -4.034  12.837  0.495  1.00 23.21 ? 89  GLU   A CG  1 
ATOM   709  C CD  . GLU   A 1 89  ? -5.486  12.637  0.186  1.00 29.64 ? 89  GLU   A CD  1 
ATOM   710  O OE1 . GLU   A 1 89  ? -6.153  13.635  -0.139 1.00 29.72 ? 89  GLU   A OE1 1 
ATOM   711  O OE2 . GLU   A 1 89  ? -5.969  11.507  0.290  1.00 29.63 ? 89  GLU   A OE2 1 
ATOM   712  N N   . GLY   A 1 90  ? -1.719  14.633  4.209  1.00 34.79 ? 90  GLY   A N   1 
ATOM   713  C CA  . GLY   A 1 90  ? -1.488  15.602  5.272  1.00 30.40 ? 90  GLY   A CA  1 
ATOM   714  C C   . GLY   A 1 90  ? -2.739  16.103  5.946  1.00 34.12 ? 90  GLY   A C   1 
ATOM   715  O O   . GLY   A 1 90  ? -2.690  17.075  6.700  1.00 34.58 ? 90  GLY   A O   1 
ATOM   716  N N   . VAL   A 1 91  ? -3.868  15.457  5.696  1.00 32.41 ? 91  VAL   A N   1 
ATOM   717  C CA  . VAL   A 1 91  ? -5.144  15.832  6.278  1.00 32.37 ? 91  VAL   A CA  1 
ATOM   718  C C   . VAL   A 1 91  ? -5.915  14.540  6.439  1.00 32.27 ? 91  VAL   A C   1 
ATOM   719  O O   . VAL   A 1 91  ? -5.764  13.614  5.638  1.00 30.99 ? 91  VAL   A O   1 
ATOM   720  C CB  . VAL   A 1 91  ? -5.896  16.842  5.368  1.00 32.15 ? 91  VAL   A CB  1 
ATOM   721  C CG1 . VAL   A 1 91  ? -6.149  16.212  4.004  1.00 32.15 ? 91  VAL   A CG1 1 
ATOM   722  C CG2 . VAL   A 1 91  ? -7.202  17.298  5.999  1.00 37.38 ? 91  VAL   A CG2 1 
ATOM   723  N N   . GLN   A 1 92  ? -6.745  14.467  7.476  1.00 29.58 ? 92  GLN   A N   1 
ATOM   724  C CA  . GLN   A 1 92  ? -7.560  13.281  7.651  1.00 36.72 ? 92  GLN   A CA  1 
ATOM   725  C C   . GLN   A 1 92  ? -8.739  13.346  6.697  1.00 32.18 ? 92  GLN   A C   1 
ATOM   726  O O   . GLN   A 1 92  ? -9.414  14.371  6.596  1.00 35.31 ? 92  GLN   A O   1 
ATOM   727  C CB  . GLN   A 1 92  ? -8.070  13.138  9.079  1.00 28.31 ? 92  GLN   A CB  1 
ATOM   728  C CG  . GLN   A 1 92  ? -8.791  11.811  9.273  1.00 30.25 ? 92  GLN   A CG  1 
ATOM   729  C CD  . GLN   A 1 92  ? -9.282  11.633  10.689 1.00 33.58 ? 92  GLN   A CD  1 
ATOM   730  O OE1 . GLN   A 1 92  ? -9.783  12.571  11.295 1.00 41.52 ? 92  GLN   A OE1 1 
ATOM   731  N NE2 . GLN   A 1 92  ? -9.147  10.421  11.222 1.00 34.10 ? 92  GLN   A NE2 1 
ATOM   732  N N   . ARG   A 1 93  ? -8.963  12.264  5.975  1.00 24.82 ? 93  ARG   A N   1 
ATOM   733  C CA  . ARG   A 1 93  ? -10.160 12.187  5.154  1.00 35.51 ? 93  ARG   A CA  1 
ATOM   734  C C   . ARG   A 1 93  ? -10.831 10.881  5.517  1.00 36.13 ? 93  ARG   A C   1 
ATOM   735  O O   . ARG   A 1 93  ? -10.404 10.199  6.453  1.00 41.94 ? 93  ARG   A O   1 
ATOM   736  C CB  . ARG   A 1 93  ? -9.821  12.273  3.663  1.00 23.87 ? 93  ARG   A CB  1 
ATOM   737  C CG  . ARG   A 1 93  ? -9.074  13.567  3.306  1.00 24.53 ? 93  ARG   A CG  1 
ATOM   738  C CD  . ARG   A 1 93  ? -8.647  13.552  1.866  1.00 35.27 ? 93  ARG   A CD  1 
ATOM   739  N NE  . ARG   A 1 93  ? -9.816  13.417  1.012  1.00 34.30 ? 93  ARG   A NE  1 
ATOM   740  C CZ  . ARG   A 1 93  ? -9.784  13.330  -0.309 1.00 31.59 ? 93  ARG   A CZ  1 
ATOM   741  N NH1 . ARG   A 1 93  ? -8.638  13.309  -0.979 1.00 24.55 ? 93  ARG   A NH1 1 
ATOM   742  N NH2 . ARG   A 1 93  ? -10.930 13.272  -0.973 1.00 29.31 ? 93  ARG   A NH2 1 
ATOM   743  N N   A TYR   A 1 94  ? -11.867 10.509  4.792  0.61 35.03 ? 94  TYR   A N   1 
ATOM   744  N N   B TYR   A 1 94  ? -11.874 10.511  4.786  0.39 35.20 ? 94  TYR   A N   1 
ATOM   745  C CA  A TYR   A 1 94  ? -12.523 9.271   5.155  0.61 37.71 ? 94  TYR   A CA  1 
ATOM   746  C CA  B TYR   A 1 94  ? -12.565 9.272   5.093  0.39 37.72 ? 94  TYR   A CA  1 
ATOM   747  C C   A TYR   A 1 94  ? -11.682 8.084   4.711  0.61 34.78 ? 94  TYR   A C   1 
ATOM   748  C C   B TYR   A 1 94  ? -11.706 8.080   4.681  0.39 34.79 ? 94  TYR   A C   1 
ATOM   749  O O   A TYR   A 1 94  ? -10.808 8.188   3.843  0.61 31.47 ? 94  TYR   A O   1 
ATOM   750  O O   B TYR   A 1 94  ? -10.827 8.177   3.817  0.39 31.53 ? 94  TYR   A O   1 
ATOM   751  C CB  A TYR   A 1 94  ? -13.918 9.212   4.548  0.61 36.35 ? 94  TYR   A CB  1 
ATOM   752  C CB  B TYR   A 1 94  ? -13.927 9.239   4.396  0.39 36.30 ? 94  TYR   A CB  1 
ATOM   753  C CG  A TYR   A 1 94  ? -13.948 9.016   3.062  0.61 35.74 ? 94  TYR   A CG  1 
ATOM   754  C CG  B TYR   A 1 94  ? -14.889 10.305  4.900  0.39 42.69 ? 94  TYR   A CG  1 
ATOM   755  C CD1 A TYR   A 1 94  ? -13.709 10.077  2.191  0.61 38.86 ? 94  TYR   A CD1 1 
ATOM   756  C CD1 B TYR   A 1 94  ? -15.696 10.081  6.013  0.39 43.68 ? 94  TYR   A CD1 1 
ATOM   757  C CD2 A TYR   A 1 94  ? -14.266 7.783   2.520  0.61 36.73 ? 94  TYR   A CD2 1 
ATOM   758  C CD2 B TYR   A 1 94  ? -14.984 11.538  4.260  0.39 43.80 ? 94  TYR   A CD2 1 
ATOM   759  C CE1 A TYR   A 1 94  ? -13.762 9.900   0.813  0.61 40.10 ? 94  TYR   A CE1 1 
ATOM   760  C CE1 B TYR   A 1 94  ? -16.571 11.057  6.468  0.39 45.57 ? 94  TYR   A CE1 1 
ATOM   761  C CE2 A TYR   A 1 94  ? -14.331 7.603   1.160  0.61 36.42 ? 94  TYR   A CE2 1 
ATOM   762  C CE2 B TYR   A 1 94  ? -15.853 12.513  4.706  0.39 39.08 ? 94  TYR   A CE2 1 
ATOM   763  C CZ  A TYR   A 1 94  ? -14.076 8.658   0.308  0.61 37.27 ? 94  TYR   A CZ  1 
ATOM   764  C CZ  B TYR   A 1 94  ? -16.639 12.271  5.809  0.39 46.55 ? 94  TYR   A CZ  1 
ATOM   765  O OH  A TYR   A 1 94  ? -14.133 8.455   -1.049 0.61 43.17 ? 94  TYR   A OH  1 
ATOM   766  O OH  B TYR   A 1 94  ? -17.500 13.252  6.245  0.39 54.54 ? 94  TYR   A OH  1 
ATOM   767  N N   . CYS   A 1 95  ? -11.964 6.945   5.322  1.00 31.23 ? 95  CYS   A N   1 
ATOM   768  C CA  . CYS   A 1 95  ? -11.180 5.747   5.093  1.00 32.77 ? 95  CYS   A CA  1 
ATOM   769  C C   . CYS   A 1 95  ? -11.516 5.152   3.733  1.00 35.68 ? 95  CYS   A C   1 
ATOM   770  O O   . CYS   A 1 95  ? -12.665 4.787   3.478  1.00 34.15 ? 95  CYS   A O   1 
ATOM   771  C CB  . CYS   A 1 95  ? -11.471 4.748   6.201  1.00 27.62 ? 95  CYS   A CB  1 
ATOM   772  S SG  . CYS   A 1 95  ? -10.647 3.238   6.003  1.00 32.47 ? 95  CYS   A SG  1 
ATOM   773  N N   . ARG   A 1 96  ? -10.514 5.034   2.866  1.00 33.54 ? 96  ARG   A N   1 
ATOM   774  C CA  . ARG   A 1 96  ? -10.743 4.687   1.472  1.00 31.23 ? 96  ARG   A CA  1 
ATOM   775  C C   . ARG   A 1 96  ? -10.134 3.343   1.120  1.00 32.67 ? 96  ARG   A C   1 
ATOM   776  O O   . ARG   A 1 96  ? -9.915  3.043   -0.065 1.00 38.23 ? 96  ARG   A O   1 
ATOM   777  C CB  . ARG   A 1 96  ? -10.207 5.800   0.575  1.00 33.22 ? 96  ARG   A CB  1 
ATOM   778  C CG  . ARG   A 1 96  ? -11.056 7.048   0.701  1.00 36.34 ? 96  ARG   A CG  1 
ATOM   779  C CD  . ARG   A 1 96  ? -10.345 8.279   0.239  1.00 32.72 ? 96  ARG   A CD  1 
ATOM   780  N NE  . ARG   A 1 96  ? -9.356  8.714   1.216  1.00 33.26 ? 96  ARG   A NE  1 
ATOM   781  C CZ  . ARG   A 1 96  ? -8.381  9.561   0.938  1.00 27.98 ? 96  ARG   A CZ  1 
ATOM   782  N NH1 . ARG   A 1 96  ? -8.226  10.056  -0.289 1.00 26.14 ? 96  ARG   A NH1 1 
ATOM   783  N NH2 . ARG   A 1 96  ? -7.555  9.938   1.914  1.00 30.76 ? 96  ARG   A NH2 1 
ATOM   784  N N   . SER   A 1 97  ? -9.869  2.526   2.141  1.00 36.09 ? 97  SER   A N   1 
ATOM   785  C CA  . SER   A 1 97  ? -9.261  1.219   1.935  1.00 29.55 ? 97  SER   A CA  1 
ATOM   786  C C   . SER   A 1 97  ? -10.034 0.398   0.908  1.00 35.39 ? 97  SER   A C   1 
ATOM   787  O O   . SER   A 1 97  ? -9.441  -0.189  -0.002 1.00 39.82 ? 97  SER   A O   1 
ATOM   788  C CB  . SER   A 1 97  ? -9.190  0.488   3.274  1.00 31.76 ? 97  SER   A CB  1 
ATOM   789  O OG  . SER   A 1 97  ? -8.471  1.265   4.208  1.00 36.27 ? 97  SER   A OG  1 
ATOM   790  N N   . ARG   A 1 98  ? -11.369 0.368   1.031  1.00 42.10 ? 98  ARG   A N   1 
ATOM   791  C CA  . ARG   A 1 98  ? -12.186 -0.466  0.148  1.00 51.77 ? 98  ARG   A CA  1 
ATOM   792  C C   . ARG   A 1 98  ? -12.101 -0.018  -1.308 1.00 43.42 ? 98  ARG   A C   1 
ATOM   793  O O   . ARG   A 1 98  ? -12.037 -0.860  -2.213 1.00 52.25 ? 98  ARG   A O   1 
ATOM   794  C CB  . ARG   A 1 98  ? -13.641 -0.468  0.617  1.00 47.36 ? 98  ARG   A CB  1 
ATOM   795  C CG  . ARG   A 1 98  ? -13.881 -1.193  1.926  1.00 63.51 ? 98  ARG   A CG  1 
ATOM   796  C CD  . ARG   A 1 98  ? -14.990 -2.231  1.749  1.00 73.24 ? 98  ARG   A CD  1 
ATOM   797  N NE  . ARG   A 1 98  ? -14.479 -3.474  1.175  1.00 80.33 ? 98  ARG   A NE  1 
ATOM   798  C CZ  . ARG   A 1 98  ? -15.177 -4.292  0.396  1.00 78.60 ? 98  ARG   A CZ  1 
ATOM   799  N NH1 . ARG   A 1 98  ? -16.432 -4.029  0.061  1.00 73.77 ? 98  ARG   A NH1 1 
ATOM   800  N NH2 . ARG   A 1 98  ? -14.597 -5.396  -0.071 1.00 66.05 ? 98  ARG   A NH2 1 
ATOM   801  N N   . GLU   A 1 99  ? -12.107 1.300   -1.560 1.00 45.78 ? 99  GLU   A N   1 
ATOM   802  C CA  . GLU   A 1 99  ? -12.029 1.804   -2.934 1.00 48.58 ? 99  GLU   A CA  1 
ATOM   803  C C   . GLU   A 1 99  ? -10.678 1.544   -3.585 1.00 43.98 ? 99  GLU   A C   1 
ATOM   804  O O   . GLU   A 1 99  ? -10.539 1.741   -4.792 1.00 44.71 ? 99  GLU   A O   1 
ATOM   805  C CB  . GLU   A 1 99  ? -12.323 3.316   -2.991 1.00 40.16 ? 99  GLU   A CB  1 
ATOM   806  C CG  . GLU   A 1 99  ? -13.358 3.784   -1.986 1.00 51.71 ? 99  GLU   A CG  1 
ATOM   807  C CD  . GLU   A 1 99  ? -13.521 5.301   -1.919 1.00 54.93 ? 99  GLU   A CD  1 
ATOM   808  O OE1 . GLU   A 1 99  ? -12.897 6.042   -2.712 1.00 48.86 ? 99  GLU   A OE1 1 
ATOM   809  O OE2 . GLU   A 1 99  ? -14.306 5.751   -1.057 1.00 64.83 ? 99  GLU   A OE2 1 
ATOM   810  N N   . LYS   A 1 100 ? -9.684  1.103   -2.831 1.00 44.34 ? 100 LYS   A N   1 
ATOM   811  C CA  . LYS   A 1 100 ? -8.340  0.938   -3.362 1.00 38.06 ? 100 LYS   A CA  1 
ATOM   812  C C   . LYS   A 1 100 ? -7.949  -0.524  -3.498 1.00 45.68 ? 100 LYS   A C   1 
ATOM   813  O O   . LYS   A 1 100 ? -6.757  -0.844  -3.603 1.00 48.48 ? 100 LYS   A O   1 
ATOM   814  C CB  . LYS   A 1 100 ? -7.363  1.709   -2.479 1.00 39.03 ? 100 LYS   A CB  1 
ATOM   815  C CG  . LYS   A 1 100 ? -7.620  3.192   -2.566 1.00 41.96 ? 100 LYS   A CG  1 
ATOM   816  C CD  . LYS   A 1 100 ? -6.682  3.932   -1.676 1.00 35.95 ? 100 LYS   A CD  1 
ATOM   817  C CE  . LYS   A 1 100 ? -6.928  5.429   -1.708 1.00 39.76 ? 100 LYS   A CE  1 
ATOM   818  N NZ  . LYS   A 1 100 ? -6.641  5.902   -3.101 1.00 30.47 ? 100 LYS   A NZ  1 
ATOM   819  N N   . GLY   A 1 101 ? -8.932  -1.413  -3.501 1.00 44.85 ? 101 GLY   A N   1 
ATOM   820  C CA  . GLY   A 1 101 ? -8.689  -2.791  -3.820 1.00 41.99 ? 101 GLY   A CA  1 
ATOM   821  C C   . GLY   A 1 101 ? -8.013  -3.529  -2.687 1.00 43.07 ? 101 GLY   A C   1 
ATOM   822  O O   . GLY   A 1 101 ? -8.016  -3.094  -1.529 1.00 39.80 ? 101 GLY   A O   1 
ATOM   823  N N   . PRO   A 1 102 ? -7.400  -4.662  -3.017 1.00 44.39 ? 102 PRO   A N   1 
ATOM   824  C CA  . PRO   A 1 102 ? -6.906  -5.565  -1.975 1.00 45.62 ? 102 PRO   A CA  1 
ATOM   825  C C   . PRO   A 1 102 ? -5.752  -4.937  -1.219 1.00 41.39 ? 102 PRO   A C   1 
ATOM   826  O O   . PRO   A 1 102 ? -4.915  -4.241  -1.802 1.00 40.86 ? 102 PRO   A O   1 
ATOM   827  C CB  . PRO   A 1 102 ? -6.446  -6.795  -2.765 1.00 50.16 ? 102 PRO   A CB  1 
ATOM   828  C CG  . PRO   A 1 102 ? -7.058  -6.639  -4.141 1.00 48.11 ? 102 PRO   A CG  1 
ATOM   829  C CD  . PRO   A 1 102 ? -7.121  -5.174  -4.368 1.00 49.22 ? 102 PRO   A CD  1 
ATOM   830  N N   . TYR   A 1 103 ? -5.705  -5.194  0.087  1.00 43.87 ? 103 TYR   A N   1 
ATOM   831  C CA  . TYR   A 1 103 ? -4.550  -4.741  0.852  1.00 39.25 ? 103 TYR   A CA  1 
ATOM   832  C C   . TYR   A 1 103 ? -3.278  -5.292  0.223  1.00 37.00 ? 103 TYR   A C   1 
ATOM   833  O O   . TYR   A 1 103 ? -3.264  -6.382  -0.352 1.00 45.44 ? 103 TYR   A O   1 
ATOM   834  C CB  . TYR   A 1 103 ? -4.658  -5.171  2.323  1.00 36.30 ? 103 TYR   A CB  1 
ATOM   835  C CG  . TYR   A 1 103 ? -5.794  -4.481  3.044  1.00 40.48 ? 103 TYR   A CG  1 
ATOM   836  C CD1 . TYR   A 1 103 ? -5.743  -3.120  3.330  1.00 38.36 ? 103 TYR   A CD1 1 
ATOM   837  C CD2 . TYR   A 1 103 ? -6.938  -5.184  3.404  1.00 45.83 ? 103 TYR   A CD2 1 
ATOM   838  C CE1 . TYR   A 1 103 ? -6.786  -2.492  3.975  1.00 32.40 ? 103 TYR   A CE1 1 
ATOM   839  C CE2 . TYR   A 1 103 ? -7.982  -4.563  4.056  1.00 41.90 ? 103 TYR   A CE2 1 
ATOM   840  C CZ  . TYR   A 1 103 ? -7.905  -3.218  4.334  1.00 43.78 ? 103 TYR   A CZ  1 
ATOM   841  O OH  . TYR   A 1 103 ? -8.959  -2.597  4.980  1.00 49.54 ? 103 TYR   A OH  1 
ATOM   842  N N   . ALA   A 1 104 ? -2.211  -4.502  0.292  1.00 39.97 ? 104 ALA   A N   1 
ATOM   843  C CA  . ALA   A 1 104 ? -0.925  -4.947  -0.227 1.00 33.56 ? 104 ALA   A CA  1 
ATOM   844  C C   . ALA   A 1 104 ? -0.149  -5.789  0.773  1.00 42.32 ? 104 ALA   A C   1 
ATOM   845  O O   . ALA   A 1 104 ? 0.803   -6.476  0.380  1.00 44.20 ? 104 ALA   A O   1 
ATOM   846  C CB  . ALA   A 1 104 ? -0.078  -3.739  -0.637 1.00 40.22 ? 104 ALA   A CB  1 
ATOM   847  N N   . ALA   A 1 105 ? -0.518  -5.738  2.049  1.00 37.86 ? 105 ALA   A N   1 
ATOM   848  C CA  . ALA   A 1 105 ? 0.270   -6.391  3.088  1.00 47.02 ? 105 ALA   A CA  1 
ATOM   849  C C   . ALA   A 1 105 ? -0.560  -6.427  4.354  1.00 43.71 ? 105 ALA   A C   1 
ATOM   850  O O   . ALA   A 1 105 ? -1.434  -5.583  4.572  1.00 39.78 ? 105 ALA   A O   1 
ATOM   851  C CB  . ALA   A 1 105 ? 1.602   -5.673  3.344  1.00 42.22 ? 105 ALA   A CB  1 
ATOM   852  N N   . LYS   A 1 106 ? -0.267  -7.416  5.193  1.00 40.27 ? 106 LYS   A N   1 
ATOM   853  C CA  . LYS   A 1 106 ? -1.022  -7.625  6.419  1.00 38.02 ? 106 LYS   A CA  1 
ATOM   854  C C   . LYS   A 1 106 ? -0.065  -8.238  7.426  1.00 43.34 ? 106 LYS   A C   1 
ATOM   855  O O   . LYS   A 1 106 ? 0.777   -9.065  7.067  1.00 48.41 ? 106 LYS   A O   1 
ATOM   856  C CB  . LYS   A 1 106 ? -2.238  -8.530  6.167  1.00 41.23 ? 106 LYS   A CB  1 
ATOM   857  C CG  . LYS   A 1 106 ? -3.290  -8.670  7.282  1.00 50.90 ? 106 LYS   A CG  1 
ATOM   858  C CD  . LYS   A 1 106 ? -3.759  -10.140 7.434  1.00 51.40 ? 106 LYS   A CD  1 
ATOM   859  C CE  . LYS   A 1 106 ? -4.485  -10.415 8.770  1.00 49.29 ? 106 LYS   A CE  1 
ATOM   860  N NZ  . LYS   A 1 106 ? -3.559  -10.543 9.932  1.00 51.07 ? 106 LYS   A NZ  1 
ATOM   861  N N   . THR   A 1 107 ? -0.174  -7.802  8.668  1.00 37.97 ? 107 THR   A N   1 
ATOM   862  C CA  . THR   A 1 107 ? 0.627   -8.355  9.742  1.00 39.93 ? 107 THR   A CA  1 
ATOM   863  C C   . THR   A 1 107 ? -0.242  -9.282  10.587 1.00 39.18 ? 107 THR   A C   1 
ATOM   864  O O   . THR   A 1 107 ? -1.461  -9.349  10.431 1.00 41.92 ? 107 THR   A O   1 
ATOM   865  C CB  . THR   A 1 107 ? 1.226   -7.228  10.593 1.00 32.02 ? 107 THR   A CB  1 
ATOM   866  O OG1 . THR   A 1 107 ? 0.168   -6.419  11.125 1.00 36.15 ? 107 THR   A OG1 1 
ATOM   867  C CG2 . THR   A 1 107 ? 2.138   -6.373  9.750  1.00 32.07 ? 107 THR   A CG2 1 
ATOM   868  N N   . ASP   A 1 108 ? 0.401   -9.997  11.500 1.00 40.77 ? 108 ASP   A N   1 
ATOM   869  C CA  . ASP   A 1 108 ? -0.289  -10.995 12.300 1.00 45.51 ? 108 ASP   A CA  1 
ATOM   870  C C   . ASP   A 1 108 ? -0.548  -10.539 13.726 1.00 48.18 ? 108 ASP   A C   1 
ATOM   871  O O   . ASP   A 1 108 ? -1.307  -11.198 14.445 1.00 51.64 ? 108 ASP   A O   1 
ATOM   872  C CB  . ASP   A 1 108 ? 0.512   -12.300 12.275 1.00 40.02 ? 108 ASP   A CB  1 
ATOM   873  C CG  . ASP   A 1 108 ? 0.779   -12.767 10.856 1.00 46.14 ? 108 ASP   A CG  1 
ATOM   874  O OD1 . ASP   A 1 108 ? -0.205  -12.913 10.094 1.00 53.66 ? 108 ASP   A OD1 1 
ATOM   875  O OD2 . ASP   A 1 108 ? 1.957   -12.955 10.480 1.00 50.88 ? 108 ASP   A OD2 1 
ATOM   876  N N   . GLY   A 1 109 ? 0.035   -9.423  14.141 1.00 42.75 ? 109 GLY   A N   1 
ATOM   877  C CA  . GLY   A 1 109 ? -0.264  -8.890  15.449 1.00 35.46 ? 109 GLY   A CA  1 
ATOM   878  C C   . GLY   A 1 109 ? 0.692   -7.776  15.819 1.00 41.33 ? 109 GLY   A C   1 
ATOM   879  O O   . GLY   A 1 109 ? 1.496   -7.318  15.002 1.00 39.05 ? 109 GLY   A O   1 
ATOM   880  N N   . VAL   A 1 110 ? 0.568   -7.347  17.074 1.00 43.47 ? 110 VAL   A N   1 
ATOM   881  C CA  . VAL   A 1 110 ? 1.350   -6.254  17.631 1.00 42.61 ? 110 VAL   A CA  1 
ATOM   882  C C   . VAL   A 1 110 ? 1.780   -6.655  19.034 1.00 46.58 ? 110 VAL   A C   1 
ATOM   883  O O   . VAL   A 1 110 ? 1.001   -7.240  19.793 1.00 34.82 ? 110 VAL   A O   1 
ATOM   884  C CB  . VAL   A 1 110 ? 0.549   -4.931  17.637 1.00 40.68 ? 110 VAL   A CB  1 
ATOM   885  C CG1 . VAL   A 1 110 ? -0.840  -5.147  18.181 1.00 49.38 ? 110 VAL   A CG1 1 
ATOM   886  C CG2 . VAL   A 1 110 ? 1.263   -3.861  18.425 1.00 36.95 ? 110 VAL   A CG2 1 
ATOM   887  N N   . ARG   A 1 111 ? 3.031   -6.371  19.369 1.00 41.42 ? 111 ARG   A N   1 
ATOM   888  C CA  . ARG   A 1 111 ? 3.536   -6.608  20.712 1.00 40.10 ? 111 ARG   A CA  1 
ATOM   889  C C   . ARG   A 1 111 ? 4.078   -5.322  21.312 1.00 44.68 ? 111 ARG   A C   1 
ATOM   890  O O   . ARG   A 1 111 ? 4.494   -4.405  20.597 1.00 38.82 ? 111 ARG   A O   1 
ATOM   891  C CB  . ARG   A 1 111 ? 4.628   -7.675  20.720 1.00 40.62 ? 111 ARG   A CB  1 
ATOM   892  C CG  . ARG   A 1 111 ? 4.107   -9.056  20.408 1.00 56.49 ? 111 ARG   A CG  1 
ATOM   893  C CD  . ARG   A 1 111 ? 5.066   -10.098 20.918 1.00 60.23 ? 111 ARG   A CD  1 
ATOM   894  N NE  . ARG   A 1 111 ? 4.857   -11.379 20.261 1.00 62.12 ? 111 ARG   A NE  1 
ATOM   895  C CZ  . ARG   A 1 111 ? 5.761   -12.346 20.227 1.00 75.21 ? 111 ARG   A CZ  1 
ATOM   896  N NH1 . ARG   A 1 111 ? 6.953   -12.198 20.787 1.00 75.48 ? 111 ARG   A NH1 1 
ATOM   897  N NH2 . ARG   A 1 111 ? 5.471   -13.484 19.601 1.00 70.49 ? 111 ARG   A NH2 1 
ATOM   898  N N   . GLN   A 1 112 ? 4.046   -5.268  22.636 1.00 32.54 ? 112 GLN   A N   1 
ATOM   899  C CA  . GLN   A 1 112 ? 4.640   -4.193  23.411 1.00 34.49 ? 112 GLN   A CA  1 
ATOM   900  C C   . GLN   A 1 112 ? 6.002   -4.647  23.902 1.00 36.26 ? 112 GLN   A C   1 
ATOM   901  O O   . GLN   A 1 112 ? 6.162   -5.790  24.344 1.00 39.78 ? 112 GLN   A O   1 
ATOM   902  C CB  . GLN   A 1 112 ? 3.772   -3.804  24.611 1.00 29.85 ? 112 GLN   A CB  1 
ATOM   903  C CG  . GLN   A 1 112 ? 3.967   -2.347  25.057 1.00 34.03 ? 112 GLN   A CG  1 
ATOM   904  C CD  . GLN   A 1 112 ? 3.332   -2.034  26.412 1.00 52.19 ? 112 GLN   A CD  1 
ATOM   905  O OE1 . GLN   A 1 112 ? 3.072   -2.932  27.214 1.00 58.40 ? 112 GLN   A OE1 1 
ATOM   906  N NE2 . GLN   A 1 112 ? 3.111   -0.749  26.680 1.00 53.89 ? 112 GLN   A NE2 1 
ATOM   907  N N   . VAL   A 1 113 ? 6.979   -3.762  23.795 1.00 36.13 ? 113 VAL   A N   1 
ATOM   908  C CA  . VAL   A 1 113 ? 8.259   -3.953  24.457 1.00 33.12 ? 113 VAL   A CA  1 
ATOM   909  C C   . VAL   A 1 113 ? 8.025   -3.659  25.934 1.00 34.42 ? 113 VAL   A C   1 
ATOM   910  O O   . VAL   A 1 113 ? 7.247   -2.757  26.270 1.00 33.62 ? 113 VAL   A O   1 
ATOM   911  C CB  . VAL   A 1 113 ? 9.320   -3.012  23.843 1.00 34.73 ? 113 VAL   A CB  1 
ATOM   912  C CG1 . VAL   A 1 113 ? 10.659  -3.151  24.546 1.00 34.49 ? 113 VAL   A CG1 1 
ATOM   913  C CG2 . VAL   A 1 113 ? 9.426   -3.226  22.332 1.00 28.12 ? 113 VAL   A CG2 1 
ATOM   914  N N   . GLN   A 1 114 ? 8.652   -4.417  26.829 1.00 34.57 ? 114 GLN   A N   1 
ATOM   915  C CA  . GLN   A 1 114 ? 8.436   -4.135  28.241 1.00 32.77 ? 114 GLN   A CA  1 
ATOM   916  C C   . GLN   A 1 114 ? 8.941   -2.724  28.517 1.00 35.02 ? 114 GLN   A C   1 
ATOM   917  O O   . GLN   A 1 114 ? 10.053  -2.377  28.097 1.00 35.64 ? 114 GLN   A O   1 
ATOM   918  C CB  . GLN   A 1 114 ? 9.135   -5.140  29.163 1.00 45.57 ? 114 GLN   A CB  1 
ATOM   919  C CG  . GLN   A 1 114 ? 8.866   -4.823  30.660 1.00 52.42 ? 114 GLN   A CG  1 
ATOM   920  C CD  . GLN   A 1 114 ? 10.059  -5.038  31.572 1.00 63.67 ? 114 GLN   A CD  1 
ATOM   921  O OE1 . GLN   A 1 114 ? 10.648  -6.118  31.593 1.00 59.44 ? 114 GLN   A OE1 1 
ATOM   922  N NE2 . GLN   A 1 114 ? 10.406  -4.012  32.356 1.00 64.00 ? 114 GLN   A NE2 1 
ATOM   923  N N   . PRO   A 1 115 ? 8.139   -1.862  29.129 1.00 32.67 ? 115 PRO   A N   1 
ATOM   924  C CA  . PRO   A 1 115 ? 8.507   -0.445  29.188 1.00 30.06 ? 115 PRO   A CA  1 
ATOM   925  C C   . PRO   A 1 115 ? 9.627   -0.200  30.177 1.00 37.55 ? 115 PRO   A C   1 
ATOM   926  O O   . PRO   A 1 115 ? 9.906   -1.016  31.062 1.00 35.57 ? 115 PRO   A O   1 
ATOM   927  C CB  . PRO   A 1 115 ? 7.220   0.242   29.641 1.00 38.38 ? 115 PRO   A CB  1 
ATOM   928  C CG  . PRO   A 1 115 ? 6.430   -0.835  30.309 1.00 34.51 ? 115 PRO   A CG  1 
ATOM   929  C CD  . PRO   A 1 115 ? 6.779   -2.112  29.625 1.00 31.36 ? 115 PRO   A CD  1 
ATOM   930  N N   . TYR   A 1 116 ? 10.261  0.963   30.024 1.00 30.64 ? 116 TYR   A N   1 
ATOM   931  C CA  . TYR   A 1 116 ? 11.294  1.410   30.958 1.00 35.31 ? 116 TYR   A CA  1 
ATOM   932  C C   . TYR   A 1 116 ? 12.441  0.421   31.070 1.00 38.89 ? 116 TYR   A C   1 
ATOM   933  O O   . TYR   A 1 116 ? 13.105  0.356   32.105 1.00 36.23 ? 116 TYR   A O   1 
ATOM   934  C CB  . TYR   A 1 116 ? 10.703  1.670   32.343 1.00 41.11 ? 116 TYR   A CB  1 
ATOM   935  C CG  . TYR   A 1 116 ? 9.546   2.605   32.269 1.00 45.44 ? 116 TYR   A CG  1 
ATOM   936  C CD1 . TYR   A 1 116 ? 9.727   3.900   31.824 1.00 40.55 ? 116 TYR   A CD1 1 
ATOM   937  C CD2 . TYR   A 1 116 ? 8.262   2.190   32.591 1.00 53.09 ? 116 TYR   A CD2 1 
ATOM   938  C CE1 . TYR   A 1 116 ? 8.672   4.772   31.728 1.00 46.25 ? 116 TYR   A CE1 1 
ATOM   939  C CE2 . TYR   A 1 116 ? 7.189   3.061   32.494 1.00 49.55 ? 116 TYR   A CE2 1 
ATOM   940  C CZ  . TYR   A 1 116 ? 7.406   4.351   32.065 1.00 48.79 ? 116 TYR   A CZ  1 
ATOM   941  O OH  . TYR   A 1 116 ? 6.362   5.234   31.965 1.00 55.24 ? 116 TYR   A OH  1 
ATOM   942  N N   . ASN   A 1 117 ? 12.692  -0.338  30.004 1.00 33.27 ? 117 ASN   A N   1 
ATOM   943  C CA  . ASN   A 1 117 ? 13.733  -1.356  29.984 1.00 28.98 ? 117 ASN   A CA  1 
ATOM   944  C C   . ASN   A 1 117 ? 14.562  -1.172  28.722 1.00 34.36 ? 117 ASN   A C   1 
ATOM   945  O O   . ASN   A 1 117 ? 14.090  -1.453  27.614 1.00 33.81 ? 117 ASN   A O   1 
ATOM   946  C CB  . ASN   A 1 117 ? 13.117  -2.751  30.041 1.00 37.28 ? 117 ASN   A CB  1 
ATOM   947  C CG  . ASN   A 1 117 ? 14.154  -3.838  30.158 1.00 39.67 ? 117 ASN   A CG  1 
ATOM   948  O OD1 . ASN   A 1 117 ? 15.268  -3.721  29.640 1.00 40.58 ? 117 ASN   A OD1 1 
ATOM   949  N ND2 . ASN   A 1 117 ? 13.790  -4.918  30.832 1.00 49.06 ? 117 ASN   A ND2 1 
ATOM   950  N N   . GLU   A 1 118 ? 15.804  -0.715  28.890 1.00 35.52 ? 118 GLU   A N   1 
ATOM   951  C CA  . GLU   A 1 118 ? 16.608  -0.381  27.729 1.00 37.50 ? 118 GLU   A CA  1 
ATOM   952  C C   . GLU   A 1 118 ? 17.037  -1.639  26.988 1.00 37.12 ? 118 GLU   A C   1 
ATOM   953  O O   . GLU   A 1 118 ? 17.030  -1.673  25.750 1.00 31.75 ? 118 GLU   A O   1 
ATOM   954  C CB  . GLU   A 1 118 ? 17.819  0.444   28.150 1.00 31.29 ? 118 GLU   A CB  1 
ATOM   955  C CG  . GLU   A 1 118 ? 18.776  0.695   27.005 1.00 26.85 ? 118 GLU   A CG  1 
ATOM   956  C CD  . GLU   A 1 118 ? 19.820  1.727   27.352 1.00 35.33 ? 118 GLU   A CD  1 
ATOM   957  O OE1 . GLU   A 1 118 ? 19.455  2.864   27.778 1.00 28.07 ? 118 GLU   A OE1 1 
ATOM   958  O OE2 . GLU   A 1 118 ? 21.005  1.383   27.227 1.00 31.57 ? 118 GLU   A OE2 1 
ATOM   959  N N   . GLY   A 1 119 ? 17.388  -2.693  27.729 1.00 31.56 ? 119 GLY   A N   1 
ATOM   960  C CA  . GLY   A 1 119 ? 17.758  -3.935  27.077 1.00 26.85 ? 119 GLY   A CA  1 
ATOM   961  C C   . GLY   A 1 119 ? 16.614  -4.517  26.269 1.00 30.53 ? 119 GLY   A C   1 
ATOM   962  O O   . GLY   A 1 119 ? 16.810  -5.006  25.156 1.00 30.39 ? 119 GLY   A O   1 
ATOM   963  N N   . ALA   A 1 120 ? 15.402  -4.448  26.807 1.00 32.54 ? 120 ALA   A N   1 
ATOM   964  C CA  . ALA   A 1 120 ? 14.260  -4.991  26.086 1.00 37.71 ? 120 ALA   A CA  1 
ATOM   965  C C   . ALA   A 1 120 ? 14.058  -4.253  24.769 1.00 29.93 ? 120 ALA   A C   1 
ATOM   966  O O   . ALA   A 1 120 ? 13.789  -4.872  23.739 1.00 29.26 ? 120 ALA   A O   1 
ATOM   967  C CB  . ALA   A 1 120 ? 13.003  -4.919  26.957 1.00 32.99 ? 120 ALA   A CB  1 
ATOM   968  N N   . LEU   A 1 121 ? 14.223  -2.928  24.775 1.00 34.78 ? 121 LEU   A N   1 
ATOM   969  C CA  . LEU   A 1 121 ? 14.099  -2.174  23.532 1.00 29.92 ? 121 LEU   A CA  1 
ATOM   970  C C   . LEU   A 1 121 ? 15.194  -2.549  22.539 1.00 29.50 ? 121 LEU   A C   1 
ATOM   971  O O   . LEU   A 1 121 ? 14.926  -2.762  21.352 1.00 31.72 ? 121 LEU   A O   1 
ATOM   972  C CB  . LEU   A 1 121 ? 14.143  -0.679  23.824 1.00 32.16 ? 121 LEU   A CB  1 
ATOM   973  C CG  . LEU   A 1 121 ? 14.031  0.169   22.569 1.00 32.96 ? 121 LEU   A CG  1 
ATOM   974  C CD1 . LEU   A 1 121 ? 12.743  -0.199  21.840 1.00 30.02 ? 121 LEU   A CD1 1 
ATOM   975  C CD2 . LEU   A 1 121 ? 14.060  1.633   22.958 1.00 34.13 ? 121 LEU   A CD2 1 
ATOM   976  N N   . LEU   A 1 122 ? 16.447  -2.603  22.999 1.00 29.66 ? 122 LEU   A N   1 
ATOM   977  C CA  . LEU   A 1 122 ? 17.544  -2.954  22.096 1.00 29.55 ? 122 LEU   A CA  1 
ATOM   978  C C   . LEU   A 1 122 ? 17.354  -4.348  21.523 1.00 26.93 ? 122 LEU   A C   1 
ATOM   979  O O   . LEU   A 1 122 ? 17.609  -4.587  20.338 1.00 31.16 ? 122 LEU   A O   1 
ATOM   980  C CB  . LEU   A 1 122 ? 18.877  -2.886  22.832 1.00 33.07 ? 122 LEU   A CB  1 
ATOM   981  C CG  . LEU   A 1 122 ? 19.272  -1.534  23.398 1.00 32.68 ? 122 LEU   A CG  1 
ATOM   982  C CD1 . LEU   A 1 122 ? 20.636  -1.718  24.054 1.00 28.01 ? 122 LEU   A CD1 1 
ATOM   983  C CD2 . LEU   A 1 122 ? 19.313  -0.521  22.270 1.00 33.56 ? 122 LEU   A CD2 1 
ATOM   984  N N   . TYR   A 1 123 ? 16.936  -5.292  22.362 1.00 32.71 ? 123 TYR   A N   1 
ATOM   985  C CA  . TYR   A 1 123 ? 16.634  -6.621  21.867 1.00 30.75 ? 123 TYR   A CA  1 
ATOM   986  C C   . TYR   A 1 123 ? 15.626  -6.553  20.729 1.00 25.45 ? 123 TYR   A C   1 
ATOM   987  O O   . TYR   A 1 123 ? 15.803  -7.191  19.685 1.00 29.81 ? 123 TYR   A O   1 
ATOM   988  C CB  . TYR   A 1 123 ? 16.093  -7.496  23.004 1.00 30.05 ? 123 TYR   A CB  1 
ATOM   989  C CG  . TYR   A 1 123 ? 15.793  -8.888  22.511 1.00 37.03 ? 123 TYR   A CG  1 
ATOM   990  C CD1 . TYR   A 1 123 ? 16.826  -9.740  22.117 1.00 33.62 ? 123 TYR   A CD1 1 
ATOM   991  C CD2 . TYR   A 1 123 ? 14.483  -9.333  22.365 1.00 48.59 ? 123 TYR   A CD2 1 
ATOM   992  C CE1 . TYR   A 1 123 ? 16.561  -11.015 21.635 1.00 39.76 ? 123 TYR   A CE1 1 
ATOM   993  C CE2 . TYR   A 1 123 ? 14.209  -10.611 21.879 1.00 43.87 ? 123 TYR   A CE2 1 
ATOM   994  C CZ  . TYR   A 1 123 ? 15.260  -11.445 21.520 1.00 45.87 ? 123 TYR   A CZ  1 
ATOM   995  O OH  . TYR   A 1 123 ? 15.015  -12.713 21.037 1.00 64.40 ? 123 TYR   A OH  1 
ATOM   996  N N   . SER   A 1 124 ? 14.577  -5.748  20.904 1.00 30.96 ? 124 SER   A N   1 
ATOM   997  C CA  . SER   A 1 124 ? 13.554  -5.640  19.875 1.00 33.08 ? 124 SER   A CA  1 
ATOM   998  C C   . SER   A 1 124 ? 14.106  -4.990  18.615 1.00 37.48 ? 124 SER   A C   1 
ATOM   999  O O   . SER   A 1 124 ? 13.806  -5.444  17.503 1.00 29.56 ? 124 SER   A O   1 
ATOM   1000 C CB  . SER   A 1 124 ? 12.357  -4.861  20.420 1.00 35.71 ? 124 SER   A CB  1 
ATOM   1001 O OG  . SER   A 1 124 ? 11.898  -5.487  21.608 1.00 40.44 ? 124 SER   A OG  1 
ATOM   1002 N N   . ILE   A 1 125 ? 14.922  -3.936  18.763 1.00 29.52 ? 125 ILE   A N   1 
ATOM   1003 C CA  . ILE   A 1 125 ? 15.456  -3.262  17.580 1.00 33.20 ? 125 ILE   A CA  1 
ATOM   1004 C C   . ILE   A 1 125 ? 16.391  -4.186  16.812 1.00 31.28 ? 125 ILE   A C   1 
ATOM   1005 O O   . ILE   A 1 125 ? 16.460  -4.141  15.579 1.00 32.13 ? 125 ILE   A O   1 
ATOM   1006 C CB  . ILE   A 1 125 ? 16.177  -1.965  17.970 1.00 26.06 ? 125 ILE   A CB  1 
ATOM   1007 C CG1 . ILE   A 1 125 ? 15.257  -1.019  18.749 1.00 24.66 ? 125 ILE   A CG1 1 
ATOM   1008 C CG2 . ILE   A 1 125 ? 16.776  -1.298  16.707 1.00 29.30 ? 125 ILE   A CG2 1 
ATOM   1009 C CD1 . ILE   A 1 125 ? 16.060  0.159   19.330 1.00 23.26 ? 125 ILE   A CD1 1 
ATOM   1010 N N   . ALA   A 1 126 ? 17.148  -5.020  17.525 1.00 28.49 ? 126 ALA   A N   1 
ATOM   1011 C CA  . ALA   A 1 126 ? 17.978  -5.998  16.836 1.00 33.17 ? 126 ALA   A CA  1 
ATOM   1012 C C   . ALA   A 1 126 ? 17.145  -6.919  15.960 1.00 29.11 ? 126 ALA   A C   1 
ATOM   1013 O O   . ALA   A 1 126 ? 17.661  -7.447  14.975 1.00 39.12 ? 126 ALA   A O   1 
ATOM   1014 C CB  . ALA   A 1 126 ? 18.791  -6.812  17.847 1.00 30.48 ? 126 ALA   A CB  1 
ATOM   1015 N N   . ASN   A 1 127 ? 15.857  -7.081  16.262 1.00 29.53 ? 127 ASN   A N   1 
ATOM   1016 C CA  . ASN   A 1 127 ? 15.022  -7.955  15.445 1.00 37.98 ? 127 ASN   A CA  1 
ATOM   1017 C C   . ASN   A 1 127 ? 14.318  -7.241  14.304 1.00 31.56 ? 127 ASN   A C   1 
ATOM   1018 O O   . ASN   A 1 127 ? 14.053  -7.863  13.269 1.00 29.43 ? 127 ASN   A O   1 
ATOM   1019 C CB  . ASN   A 1 127 ? 13.993  -8.642  16.322 1.00 31.78 ? 127 ASN   A CB  1 
ATOM   1020 C CG  . ASN   A 1 127 ? 14.582  -9.815  17.046 1.00 42.61 ? 127 ASN   A CG  1 
ATOM   1021 O OD1 . ASN   A 1 127 ? 14.445  -9.945  18.266 1.00 49.12 ? 127 ASN   A OD1 1 
ATOM   1022 N ND2 . ASN   A 1 127 ? 15.278  -10.673 16.298 1.00 39.80 ? 127 ASN   A ND2 1 
ATOM   1023 N N   . GLN   A 1 128 ? 14.030  -5.960  14.460 1.00 33.45 ? 128 GLN   A N   1 
ATOM   1024 C CA  . GLN   A 1 128 ? 13.206  -5.236  13.502 1.00 31.74 ? 128 GLN   A CA  1 
ATOM   1025 C C   . GLN   A 1 128 ? 13.029  -3.811  13.992 1.00 33.75 ? 128 GLN   A C   1 
ATOM   1026 O O   . GLN   A 1 128 ? 13.180  -3.549  15.191 1.00 31.71 ? 128 GLN   A O   1 
ATOM   1027 C CB  . GLN   A 1 128 ? 11.824  -5.856  13.365 1.00 33.88 ? 128 GLN   A CB  1 
ATOM   1028 C CG  . GLN   A 1 128 ? 10.975  -5.608  14.606 1.00 32.15 ? 128 GLN   A CG  1 
ATOM   1029 C CD  . GLN   A 1 128 ? 9.848   -6.575  14.722 1.00 40.61 ? 128 GLN   A CD  1 
ATOM   1030 O OE1 . GLN   A 1 128 ? 9.954   -7.584  15.409 1.00 40.24 ? 128 GLN   A OE1 1 
ATOM   1031 N NE2 . GLN   A 1 128 ? 8.745   -6.274  14.058 1.00 39.73 ? 128 GLN   A NE2 1 
ATOM   1032 N N   . PRO   A 1 129 ? 12.654  -2.883  13.116 1.00 32.63 ? 129 PRO   A N   1 
ATOM   1033 C CA  . PRO   A 1 129 ? 12.335  -1.526  13.579 1.00 32.54 ? 129 PRO   A CA  1 
ATOM   1034 C C   . PRO   A 1 129 ? 11.163  -1.526  14.547 1.00 33.46 ? 129 PRO   A C   1 
ATOM   1035 O O   . PRO   A 1 129 ? 10.201  -2.288  14.407 1.00 28.73 ? 129 PRO   A O   1 
ATOM   1036 C CB  . PRO   A 1 129 ? 11.996  -0.784  12.288 1.00 28.22 ? 129 PRO   A CB  1 
ATOM   1037 C CG  . PRO   A 1 129 ? 12.809  -1.517  11.244 1.00 33.49 ? 129 PRO   A CG  1 
ATOM   1038 C CD  . PRO   A 1 129 ? 12.736  -2.969  11.651 1.00 26.84 ? 129 PRO   A CD  1 
ATOM   1039 N N   . VAL   A 1 130 ? 11.256  -0.657  15.537 1.00 25.32 ? 130 VAL   A N   1 
ATOM   1040 C CA  . VAL   A 1 130 ? 10.300  -0.600  16.632 1.00 27.90 ? 130 VAL   A CA  1 
ATOM   1041 C C   . VAL   A 1 130 ? 9.714   0.798   16.679 1.00 29.60 ? 130 VAL   A C   1 
ATOM   1042 O O   . VAL   A 1 130 ? 10.417  1.783   16.435 1.00 30.17 ? 130 VAL   A O   1 
ATOM   1043 C CB  . VAL   A 1 130 ? 10.964  -0.961  17.975 1.00 35.06 ? 130 VAL   A CB  1 
ATOM   1044 C CG1 . VAL   A 1 130 ? 9.983   -0.754  19.137 1.00 30.44 ? 130 VAL   A CG1 1 
ATOM   1045 C CG2 . VAL   A 1 130 ? 11.445  -2.398  17.922 1.00 30.36 ? 130 VAL   A CG2 1 
ATOM   1046 N N   . SER   A 1 131 ? 8.423   0.870   16.965 1.00 28.02 ? 131 SER   A N   1 
ATOM   1047 C CA  . SER   A 1 131 ? 7.751   2.137   17.174 1.00 24.35 ? 131 SER   A CA  1 
ATOM   1048 C C   . SER   A 1 131 ? 7.999   2.606   18.603 1.00 26.31 ? 131 SER   A C   1 
ATOM   1049 O O   . SER   A 1 131 ? 7.747   1.869   19.553 1.00 25.37 ? 131 SER   A O   1 
ATOM   1050 C CB  . SER   A 1 131 ? 6.255   1.979   16.950 1.00 24.16 ? 131 SER   A CB  1 
ATOM   1051 O OG  . SER   A 1 131 ? 5.606   3.167   17.381 1.00 27.05 ? 131 SER   A OG  1 
ATOM   1052 N N   . VAL   A 1 132 ? 8.497   3.826   18.762 1.00 26.43 ? 132 VAL   A N   1 
ATOM   1053 C CA  . VAL   A 1 132 ? 8.831   4.333   20.083 1.00 27.18 ? 132 VAL   A CA  1 
ATOM   1054 C C   . VAL   A 1 132 ? 8.307   5.747   20.182 1.00 34.98 ? 132 VAL   A C   1 
ATOM   1055 O O   . VAL   A 1 132 ? 8.029   6.400   19.174 1.00 28.50 ? 132 VAL   A O   1 
ATOM   1056 C CB  . VAL   A 1 132 ? 10.348  4.302   20.377 1.00 31.87 ? 132 VAL   A CB  1 
ATOM   1057 C CG1 . VAL   A 1 132 ? 10.892  2.886   20.271 1.00 33.80 ? 132 VAL   A CG1 1 
ATOM   1058 C CG2 . VAL   A 1 132 ? 11.089  5.251   19.406 1.00 30.10 ? 132 VAL   A CG2 1 
ATOM   1059 N N   . VAL   A 1 133 ? 8.167   6.222   21.417 1.00 28.67 ? 133 VAL   A N   1 
ATOM   1060 C CA  . VAL   A 1 133 ? 7.676   7.574   21.635 1.00 28.43 ? 133 VAL   A CA  1 
ATOM   1061 C C   . VAL   A 1 133 ? 8.731   8.356   22.394 1.00 32.84 ? 133 VAL   A C   1 
ATOM   1062 O O   . VAL   A 1 133 ? 9.553   7.793   23.127 1.00 28.51 ? 133 VAL   A O   1 
ATOM   1063 C CB  . VAL   A 1 133 ? 6.324   7.587   22.382 1.00 27.40 ? 133 VAL   A CB  1 
ATOM   1064 C CG1 . VAL   A 1 133 ? 5.290   6.827   21.560 1.00 33.43 ? 133 VAL   A CG1 1 
ATOM   1065 C CG2 . VAL   A 1 133 ? 6.473   6.961   23.761 1.00 34.12 ? 133 VAL   A CG2 1 
ATOM   1066 N N   . LEU   A 1 134 ? 8.712   9.665   22.209 1.00 29.94 ? 134 LEU   A N   1 
ATOM   1067 C CA  . LEU   A 1 134 ? 9.627   10.495  22.960 1.00 25.43 ? 134 LEU   A CA  1 
ATOM   1068 C C   . LEU   A 1 134 ? 9.032   11.884  23.072 1.00 29.36 ? 134 LEU   A C   1 
ATOM   1069 O O   . LEU   A 1 134 ? 8.050   12.226  22.400 1.00 31.81 ? 134 LEU   A O   1 
ATOM   1070 C CB  . LEU   A 1 134 ? 11.016  10.531  22.313 1.00 24.12 ? 134 LEU   A CB  1 
ATOM   1071 C CG  . LEU   A 1 134 ? 11.109  10.649  20.791 1.00 28.22 ? 134 LEU   A CG  1 
ATOM   1072 C CD1 . LEU   A 1 134 ? 10.677  12.019  20.343 1.00 32.23 ? 134 LEU   A CD1 1 
ATOM   1073 C CD2 . LEU   A 1 134 ? 12.532  10.386  20.336 1.00 29.31 ? 134 LEU   A CD2 1 
ATOM   1074 N N   . GLU   A 1 135 ? 9.657   12.682  23.927 1.00 27.56 ? 135 GLU   A N   1 
ATOM   1075 C CA  . GLU   A 1 135 ? 9.294   14.077  24.077 1.00 30.01 ? 135 GLU   A CA  1 
ATOM   1076 C C   . GLU   A 1 135 ? 10.032  14.849  23.005 1.00 28.31 ? 135 GLU   A C   1 
ATOM   1077 O O   . GLU   A 1 135 ? 11.264  14.934  23.022 1.00 32.63 ? 135 GLU   A O   1 
ATOM   1078 C CB  . GLU   A 1 135 ? 9.667   14.598  25.453 1.00 29.79 ? 135 GLU   A CB  1 
ATOM   1079 C CG  . GLU   A 1 135 ? 9.235   16.025  25.644 1.00 34.65 ? 135 GLU   A CG  1 
ATOM   1080 C CD  . GLU   A 1 135 ? 9.947   16.644  26.789 1.00 35.83 ? 135 GLU   A CD  1 
ATOM   1081 O OE1 . GLU   A 1 135 ? 9.516   16.404  27.928 1.00 32.20 ? 135 GLU   A OE1 1 
ATOM   1082 O OE2 . GLU   A 1 135 ? 10.940  17.365  26.540 1.00 32.56 ? 135 GLU   A OE2 1 
ATOM   1083 N N   . ALA   A 1 136 ? 9.284   15.420  22.082 1.00 27.85 ? 136 ALA   A N   1 
ATOM   1084 C CA  . ALA   A 1 136 ? 9.877   16.162  20.989 1.00 33.74 ? 136 ALA   A CA  1 
ATOM   1085 C C   . ALA   A 1 136 ? 9.559   17.644  21.073 1.00 33.90 ? 136 ALA   A C   1 
ATOM   1086 O O   . ALA   A 1 136 ? 10.025  18.413  20.237 1.00 36.03 ? 136 ALA   A O   1 
ATOM   1087 C CB  . ALA   A 1 136 ? 9.394   15.580  19.651 1.00 27.12 ? 136 ALA   A CB  1 
ATOM   1088 N N   . ALA   A 1 137 ? 8.789   18.062  22.076 1.00 31.80 ? 137 ALA   A N   1 
ATOM   1089 C CA  . ALA   A 1 137 ? 8.318   19.442  22.122 1.00 40.30 ? 137 ALA   A CA  1 
ATOM   1090 C C   . ALA   A 1 137 ? 9.446   20.412  22.440 1.00 37.34 ? 137 ALA   A C   1 
ATOM   1091 O O   . ALA   A 1 137 ? 9.415   21.552  21.979 1.00 32.83 ? 137 ALA   A O   1 
ATOM   1092 C CB  . ALA   A 1 137 ? 7.196   19.578  23.150 1.00 37.64 ? 137 ALA   A CB  1 
ATOM   1093 N N   . GLY   A 1 138 ? 10.457  19.971  23.190 1.00 31.17 ? 138 GLY   A N   1 
ATOM   1094 C CA  . GLY   A 1 138 ? 11.526  20.875  23.584 1.00 33.17 ? 138 GLY   A CA  1 
ATOM   1095 C C   . GLY   A 1 138 ? 12.306  21.396  22.393 1.00 37.96 ? 138 GLY   A C   1 
ATOM   1096 O O   . GLY   A 1 138 ? 12.481  20.701  21.392 1.00 36.01 ? 138 GLY   A O   1 
ATOM   1097 N N   . LYS   A 1 139 ? 12.787  22.644  22.516 1.00 33.21 ? 139 LYS   A N   1 
ATOM   1098 C CA  . LYS   A 1 139 ? 13.481  23.306  21.413 1.00 34.55 ? 139 LYS   A CA  1 
ATOM   1099 C C   . LYS   A 1 139 ? 14.771  22.587  21.051 1.00 36.03 ? 139 LYS   A C   1 
ATOM   1100 O O   . LYS   A 1 139 ? 15.150  22.526  19.877 1.00 34.58 ? 139 LYS   A O   1 
ATOM   1101 C CB  . LYS   A 1 139 ? 13.802  24.763  21.766 1.00 34.39 ? 139 LYS   A CB  1 
ATOM   1102 C CG  . LYS   A 1 139 ? 12.918  25.805  21.110 1.00 60.18 ? 139 LYS   A CG  1 
ATOM   1103 C CD  . LYS   A 1 139 ? 13.115  27.144  21.825 1.00 76.27 ? 139 LYS   A CD  1 
ATOM   1104 C CE  . LYS   A 1 139 ? 11.804  27.807  22.213 1.00 76.91 ? 139 LYS   A CE  1 
ATOM   1105 N NZ  . LYS   A 1 139 ? 12.020  29.234  22.603 1.00 69.22 ? 139 LYS   A NZ  1 
ATOM   1106 N N   . ASP   A 1 140 ? 15.465  22.047  22.050 1.00 33.66 ? 140 ASP   A N   1 
ATOM   1107 C CA  . ASP   A 1 140 ? 16.684  21.289  21.789 1.00 29.41 ? 140 ASP   A CA  1 
ATOM   1108 C C   . ASP   A 1 140 ? 16.428  20.122  20.841 1.00 32.33 ? 140 ASP   A C   1 
ATOM   1109 O O   . ASP   A 1 140 ? 17.171  19.917  19.880 1.00 33.59 ? 140 ASP   A O   1 
ATOM   1110 C CB  . ASP   A 1 140 ? 17.238  20.787  23.103 1.00 32.43 ? 140 ASP   A CB  1 
ATOM   1111 C CG  . ASP   A 1 140 ? 17.621  21.916  23.995 1.00 29.69 ? 140 ASP   A CG  1 
ATOM   1112 O OD1 . ASP   A 1 140 ? 18.650  22.568  23.701 1.00 32.01 ? 140 ASP   A OD1 1 
ATOM   1113 O OD2 . ASP   A 1 140 ? 16.872  22.173  24.952 1.00 36.17 ? 140 ASP   A OD2 1 
ATOM   1114 N N   . PHE   A 1 141 ? 15.389  19.333  21.111 1.00 32.19 ? 141 PHE   A N   1 
ATOM   1115 C CA  . PHE   A 1 141 ? 15.030  18.284  20.167 1.00 33.08 ? 141 PHE   A CA  1 
ATOM   1116 C C   . PHE   A 1 141 ? 14.669  18.877  18.812 1.00 27.43 ? 141 PHE   A C   1 
ATOM   1117 O O   . PHE   A 1 141 ? 15.076  18.362  17.764 1.00 29.58 ? 141 PHE   A O   1 
ATOM   1118 C CB  . PHE   A 1 141 ? 13.865  17.467  20.704 1.00 29.87 ? 141 PHE   A CB  1 
ATOM   1119 C CG  . PHE   A 1 141 ? 13.571  16.264  19.880 1.00 34.43 ? 141 PHE   A CG  1 
ATOM   1120 C CD1 . PHE   A 1 141 ? 12.697  16.336  18.806 1.00 30.74 ? 141 PHE   A CD1 1 
ATOM   1121 C CD2 . PHE   A 1 141 ? 14.213  15.063  20.150 1.00 32.01 ? 141 PHE   A CD2 1 
ATOM   1122 C CE1 . PHE   A 1 141 ? 12.445  15.220  18.022 1.00 33.27 ? 141 PHE   A CE1 1 
ATOM   1123 C CE2 . PHE   A 1 141 ? 13.971  13.945  19.378 1.00 31.74 ? 141 PHE   A CE2 1 
ATOM   1124 C CZ  . PHE   A 1 141 ? 13.082  14.020  18.318 1.00 31.44 ? 141 PHE   A CZ  1 
ATOM   1125 N N   . GLN   A 1 142 ? 13.903  19.962  18.806 1.00 29.03 ? 142 GLN   A N   1 
ATOM   1126 C CA  . GLN   A 1 142 ? 13.419  20.478  17.534 1.00 37.46 ? 142 GLN   A CA  1 
ATOM   1127 C C   . GLN   A 1 142 ? 14.557  21.011  16.680 1.00 36.01 ? 142 GLN   A C   1 
ATOM   1128 O O   . GLN   A 1 142 ? 14.577  20.797  15.465 1.00 32.86 ? 142 GLN   A O   1 
ATOM   1129 C CB  . GLN   A 1 142 ? 12.362  21.542  17.787 1.00 37.14 ? 142 GLN   A CB  1 
ATOM   1130 C CG  . GLN   A 1 142 ? 11.029  20.900  18.082 1.00 41.20 ? 142 GLN   A CG  1 
ATOM   1131 C CD  . GLN   A 1 142 ? 9.944   21.914  18.280 1.00 53.79 ? 142 GLN   A CD  1 
ATOM   1132 O OE1 . GLN   A 1 142 ? 9.541   22.596  17.333 1.00 61.33 ? 142 GLN   A OE1 1 
ATOM   1133 N NE2 . GLN   A 1 142 ? 9.467   22.042  19.523 1.00 47.47 ? 142 GLN   A NE2 1 
ATOM   1134 N N   . LEU   A 1 143 ? 15.546  21.647  17.298 1.00 30.55 ? 143 LEU   A N   1 
ATOM   1135 C CA  . LEU   A 1 143 ? 16.654  22.234  16.554 1.00 32.36 ? 143 LEU   A CA  1 
ATOM   1136 C C   . LEU   A 1 143 ? 17.821  21.279  16.404 1.00 32.13 ? 143 LEU   A C   1 
ATOM   1137 O O   . LEU   A 1 143 ? 18.893  21.691  15.947 1.00 38.88 ? 143 LEU   A O   1 
ATOM   1138 C CB  . LEU   A 1 143 ? 17.120  23.526  17.224 1.00 42.71 ? 143 LEU   A CB  1 
ATOM   1139 C CG  . LEU   A 1 143 ? 15.977  24.523  17.402 1.00 47.70 ? 143 LEU   A CG  1 
ATOM   1140 C CD1 . LEU   A 1 143 ? 16.517  25.826  17.969 1.00 40.19 ? 143 LEU   A CD1 1 
ATOM   1141 C CD2 . LEU   A 1 143 ? 15.208  24.739  16.091 1.00 34.76 ? 143 LEU   A CD2 1 
ATOM   1142 N N   . TYR   A 1 144 ? 17.625  20.016  16.753 1.00 34.48 ? 144 TYR   A N   1 
ATOM   1143 C CA  . TYR   A 1 144 ? 18.656  19.008  16.558 1.00 37.27 ? 144 TYR   A CA  1 
ATOM   1144 C C   . TYR   A 1 144 ? 19.199  18.996  15.138 1.00 30.06 ? 144 TYR   A C   1 
ATOM   1145 O O   . TYR   A 1 144 ? 18.450  18.880  14.162 1.00 33.45 ? 144 TYR   A O   1 
ATOM   1146 C CB  . TYR   A 1 144 ? 18.092  17.644  16.887 1.00 29.40 ? 144 TYR   A CB  1 
ATOM   1147 C CG  . TYR   A 1 144 ? 19.036  16.510  16.570 1.00 30.75 ? 144 TYR   A CG  1 
ATOM   1148 C CD1 . TYR   A 1 144 ? 20.141  16.253  17.371 1.00 32.65 ? 144 TYR   A CD1 1 
ATOM   1149 C CD2 . TYR   A 1 144 ? 18.779  15.657  15.501 1.00 28.42 ? 144 TYR   A CD2 1 
ATOM   1150 C CE1 . TYR   A 1 144 ? 20.973  15.194  17.092 1.00 27.74 ? 144 TYR   A CE1 1 
ATOM   1151 C CE2 . TYR   A 1 144 ? 19.606  14.616  15.202 1.00 23.59 ? 144 TYR   A CE2 1 
ATOM   1152 C CZ  . TYR   A 1 144 ? 20.693  14.370  16.019 1.00 29.03 ? 144 TYR   A CZ  1 
ATOM   1153 O OH  . TYR   A 1 144 ? 21.498  13.292  15.750 1.00 27.52 ? 144 TYR   A OH  1 
ATOM   1154 N N   . ARG   A 1 145 ? 20.519  19.060  15.025 1.00 37.16 ? 145 ARG   A N   1 
ATOM   1155 C CA  . ARG   A 1 145 ? 21.139  19.022  13.713 1.00 38.89 ? 145 ARG   A CA  1 
ATOM   1156 C C   . ARG   A 1 145 ? 22.178  17.925  13.561 1.00 35.38 ? 145 ARG   A C   1 
ATOM   1157 O O   . ARG   A 1 145 ? 22.757  17.792  12.474 1.00 39.34 ? 145 ARG   A O   1 
ATOM   1158 C CB  . ARG   A 1 145 ? 21.752  20.390  13.382 1.00 48.40 ? 145 ARG   A CB  1 
ATOM   1159 C CG  . ARG   A 1 145 ? 20.715  21.365  12.819 1.00 58.31 ? 145 ARG   A CG  1 
ATOM   1160 C CD  . ARG   A 1 145 ? 20.847  22.761  13.413 1.00 72.84 ? 145 ARG   A CD  1 
ATOM   1161 N NE  . ARG   A 1 145 ? 22.112  23.395  13.065 1.00 85.89 ? 145 ARG   A NE  1 
ATOM   1162 C CZ  . ARG   A 1 145 ? 23.018  23.785  13.951 1.00 86.93 ? 145 ARG   A CZ  1 
ATOM   1163 N NH1 . ARG   A 1 145 ? 22.824  23.631  15.252 1.00 86.58 ? 145 ARG   A NH1 1 
ATOM   1164 N NH2 . ARG   A 1 145 ? 24.143  24.349  13.522 1.00 96.61 ? 145 ARG   A NH2 1 
ATOM   1165 N N   . GLY   A 1 146 ? 22.411  17.129  14.587 1.00 35.32 ? 146 GLY   A N   1 
ATOM   1166 C CA  . GLY   A 1 146 ? 23.352  16.031  14.473 1.00 33.45 ? 146 GLY   A CA  1 
ATOM   1167 C C   . GLY   A 1 146 ? 24.027  15.773  15.798 1.00 34.80 ? 146 GLY   A C   1 
ATOM   1168 O O   . GLY   A 1 146 ? 23.868  16.517  16.757 1.00 40.57 ? 146 GLY   A O   1 
ATOM   1169 N N   . GLY   A 1 147 ? 24.787  14.681  15.832 1.00 30.78 ? 147 GLY   A N   1 
ATOM   1170 C CA  . GLY   A 1 147 ? 25.441  14.265  17.051 1.00 28.36 ? 147 GLY   A CA  1 
ATOM   1171 C C   . GLY   A 1 147 ? 24.567  13.321  17.837 1.00 34.18 ? 147 GLY   A C   1 
ATOM   1172 O O   . GLY   A 1 147 ? 23.433  12.996  17.472 1.00 33.01 ? 147 GLY   A O   1 
ATOM   1173 N N   . ILE   A 1 148 ? 25.113  12.845  18.942 1.00 31.37 ? 148 ILE   A N   1 
ATOM   1174 C CA  . ILE   A 1 148 ? 24.322  12.016  19.837 1.00 27.80 ? 148 ILE   A CA  1 
ATOM   1175 C C   . ILE   A 1 148 ? 23.554  12.953  20.748 1.00 32.24 ? 148 ILE   A C   1 
ATOM   1176 O O   . ILE   A 1 148 ? 24.145  13.781  21.449 1.00 38.90 ? 148 ILE   A O   1 
ATOM   1177 C CB  . ILE   A 1 148 ? 25.201  11.044  20.627 1.00 32.74 ? 148 ILE   A CB  1 
ATOM   1178 C CG1 . ILE   A 1 148 ? 25.801  10.011  19.664 1.00 39.24 ? 148 ILE   A CG1 1 
ATOM   1179 C CG2 . ILE   A 1 148 ? 24.384  10.381  21.687 1.00 34.98 ? 148 ILE   A CG2 1 
ATOM   1180 C CD1 . ILE   A 1 148 ? 26.794  9.090   20.294 1.00 39.46 ? 148 ILE   A CD1 1 
ATOM   1181 N N   . PHE   A 1 149 ? 22.241  12.854  20.707 1.00 29.86 ? 149 PHE   A N   1 
ATOM   1182 C CA  . PHE   A 1 149 ? 21.381  13.783  21.416 1.00 28.64 ? 149 PHE   A CA  1 
ATOM   1183 C C   . PHE   A 1 149 ? 21.185  13.279  22.837 1.00 29.27 ? 149 PHE   A C   1 
ATOM   1184 O O   . PHE   A 1 149 ? 20.746  12.147  23.053 1.00 31.66 ? 149 PHE   A O   1 
ATOM   1185 C CB  . PHE   A 1 149 ? 20.048  13.926  20.697 1.00 28.19 ? 149 PHE   A CB  1 
ATOM   1186 C CG  . PHE   A 1 149 ? 19.148  14.956  21.298 1.00 30.96 ? 149 PHE   A CG  1 
ATOM   1187 C CD1 . PHE   A 1 149 ? 19.375  16.312  21.076 1.00 26.16 ? 149 PHE   A CD1 1 
ATOM   1188 C CD2 . PHE   A 1 149 ? 18.078  14.569  22.090 1.00 26.06 ? 149 PHE   A CD2 1 
ATOM   1189 C CE1 . PHE   A 1 149 ? 18.527  17.264  21.626 1.00 33.80 ? 149 PHE   A CE1 1 
ATOM   1190 C CE2 . PHE   A 1 149 ? 17.223  15.513  22.649 1.00 30.24 ? 149 PHE   A CE2 1 
ATOM   1191 C CZ  . PHE   A 1 149 ? 17.450  16.861  22.421 1.00 33.80 ? 149 PHE   A CZ  1 
ATOM   1192 N N   . VAL   A 1 150 ? 21.507  14.128  23.802 1.00 27.12 ? 150 VAL   A N   1 
ATOM   1193 C CA  . VAL   A 1 150 ? 21.385  13.790  25.214 1.00 43.58 ? 150 VAL   A CA  1 
ATOM   1194 C C   . VAL   A 1 150 ? 20.302  14.602  25.888 1.00 34.10 ? 150 VAL   A C   1 
ATOM   1195 O O   . VAL   A 1 150 ? 20.100  14.477  27.104 1.00 42.74 ? 150 VAL   A O   1 
ATOM   1196 C CB  . VAL   A 1 150 ? 22.732  13.972  25.939 1.00 33.93 ? 150 VAL   A CB  1 
ATOM   1197 C CG1 . VAL   A 1 150 ? 23.843  13.277  25.169 1.00 33.26 ? 150 VAL   A CG1 1 
ATOM   1198 C CG2 . VAL   A 1 150 ? 23.050  15.460  26.070 1.00 33.99 ? 150 VAL   A CG2 1 
ATOM   1199 N N   . GLY   A 1 151 ? 19.581  15.405  25.131 1.00 28.27 ? 151 GLY   A N   1 
ATOM   1200 C CA  . GLY   A 1 151 ? 18.696  16.369  25.700 1.00 33.73 ? 151 GLY   A CA  1 
ATOM   1201 C C   . GLY   A 1 151 ? 19.286  17.760  25.599 1.00 31.11 ? 151 GLY   A C   1 
ATOM   1202 O O   . GLY   A 1 151 ? 20.188  18.031  24.792 1.00 34.47 ? 151 GLY   A O   1 
ATOM   1203 N N   . PRO   A 1 152 ? 18.788  18.671  26.429 1.00 29.61 ? 152 PRO   A N   1 
ATOM   1204 C CA  . PRO   A 1 152 ? 17.794  18.451  27.491 1.00 32.25 ? 152 PRO   A CA  1 
ATOM   1205 C C   . PRO   A 1 152 ? 16.418  18.087  26.964 1.00 32.96 ? 152 PRO   A C   1 
ATOM   1206 O O   . PRO   A 1 152 ? 15.996  18.500  25.882 1.00 33.48 ? 152 PRO   A O   1 
ATOM   1207 C CB  . PRO   A 1 152 ? 17.764  19.799  28.237 1.00 35.36 ? 152 PRO   A CB  1 
ATOM   1208 C CG  . PRO   A 1 152 ? 18.986  20.532  27.793 1.00 31.30 ? 152 PRO   A CG  1 
ATOM   1209 C CD  . PRO   A 1 152 ? 19.246  20.065  26.399 1.00 30.72 ? 152 PRO   A CD  1 
ATOM   1210 N N   . CYS   A 1 153 ? 15.735  17.250  27.737 1.00 27.32 ? 153 CYS   A N   1 
ATOM   1211 C CA  . CYS   A 1 153 ? 14.334  16.938  27.509 1.00 36.18 ? 153 CYS   A CA  1 
ATOM   1212 C C   . CYS   A 1 153 ? 13.794  16.269  28.761 1.00 34.24 ? 153 CYS   A C   1 
ATOM   1213 O O   . CYS   A 1 153 ? 14.546  15.670  29.535 1.00 38.68 ? 153 CYS   A O   1 
ATOM   1214 C CB  . CYS   A 1 153 ? 14.165  16.033  26.295 1.00 31.76 ? 153 CYS   A CB  1 
ATOM   1215 S SG  . CYS   A 1 153 ? 15.238  14.610  26.418 1.00 34.93 ? 153 CYS   A SG  1 
ATOM   1216 N N   . GLY   A 1 154 ? 12.486  16.382  28.951 1.00 38.76 ? 154 GLY   A N   1 
ATOM   1217 C CA  . GLY   A 1 154 ? 11.781  15.626  29.964 1.00 40.72 ? 154 GLY   A CA  1 
ATOM   1218 C C   . GLY   A 1 154 ? 11.234  14.333  29.397 1.00 40.92 ? 154 GLY   A C   1 
ATOM   1219 O O   . GLY   A 1 154 ? 11.654  13.857  28.339 1.00 34.56 ? 154 GLY   A O   1 
ATOM   1220 N N   A ASN   A 1 155 ? 10.283  13.752  30.124 0.44 34.48 ? 155 ASN   A N   1 
ATOM   1221 N N   B ASN   A 1 155 ? 10.279  13.747  30.124 0.56 34.48 ? 155 ASN   A N   1 
ATOM   1222 C CA  A ASN   A 1 155 ? 9.636   12.519  29.705 0.44 34.89 ? 155 ASN   A CA  1 
ATOM   1223 C CA  B ASN   A 1 155 ? 9.633   12.513  29.698 0.56 34.69 ? 155 ASN   A CA  1 
ATOM   1224 C C   A ASN   A 1 155 ? 8.180   12.742  29.321 0.44 35.67 ? 155 ASN   A C   1 
ATOM   1225 C C   B ASN   A 1 155 ? 8.187   12.738  29.287 0.56 35.66 ? 155 ASN   A C   1 
ATOM   1226 O O   A ASN   A 1 155 ? 7.393   11.791  29.315 0.44 38.16 ? 155 ASN   A O   1 
ATOM   1227 O O   B ASN   A 1 155 ? 7.407   11.783  29.241 0.56 38.17 ? 155 ASN   A O   1 
ATOM   1228 C CB  A ASN   A 1 155 ? 9.745   11.462  30.804 0.44 40.87 ? 155 ASN   A CB  1 
ATOM   1229 C CB  B ASN   A 1 155 ? 9.685   11.450  30.797 0.56 40.88 ? 155 ASN   A CB  1 
ATOM   1230 C CG  A ASN   A 1 155 ? 11.136  11.394  31.411 0.44 41.30 ? 155 ASN   A CG  1 
ATOM   1231 C CG  B ASN   A 1 155 ? 9.754   12.047  32.186 0.56 44.41 ? 155 ASN   A CG  1 
ATOM   1232 O OD1 A ASN   A 1 155 ? 12.126  11.200  30.710 0.44 39.05 ? 155 ASN   A OD1 1 
ATOM   1233 O OD1 B ASN   A 1 155 ? 8.878   12.815  32.588 0.56 43.28 ? 155 ASN   A OD1 1 
ATOM   1234 N ND2 A ASN   A 1 155 ? 11.216  11.568  32.726 0.44 45.83 ? 155 ASN   A ND2 1 
ATOM   1235 N ND2 B ASN   A 1 155 ? 10.799  11.698  32.928 0.56 46.46 ? 155 ASN   A ND2 1 
ATOM   1236 N N   . LYS   A 1 156 ? 7.803   13.982  29.002 1.00 27.99 ? 156 LYS   A N   1 
ATOM   1237 C CA  . LYS   A 1 156 ? 6.438   14.280  28.561 1.00 34.56 ? 156 LYS   A CA  1 
ATOM   1238 C C   . LYS   A 1 156 ? 6.309   13.897  27.084 1.00 38.11 ? 156 LYS   A C   1 
ATOM   1239 O O   . LYS   A 1 156 ? 6.259   14.733  26.176 1.00 34.68 ? 156 LYS   A O   1 
ATOM   1240 C CB  . LYS   A 1 156 ? 6.065   15.740  28.826 1.00 37.00 ? 156 LYS   A CB  1 
ATOM   1241 C CG  . LYS   A 1 156 ? 6.476   16.309  30.217 1.00 50.84 ? 156 LYS   A CG  1 
ATOM   1242 C CD  . LYS   A 1 156 ? 7.827   17.050  30.218 1.00 60.97 ? 156 LYS   A CD  1 
ATOM   1243 C CE  . LYS   A 1 156 ? 8.337   17.388  31.636 1.00 59.35 ? 156 LYS   A CE  1 
ATOM   1244 N NZ  . LYS   A 1 156 ? 8.844   16.195  32.410 1.00 49.73 ? 156 LYS   A NZ  1 
ATOM   1245 N N   . VAL   A 1 157 ? 6.246   12.581  26.866 1.00 32.48 ? 157 VAL   A N   1 
ATOM   1246 C CA  . VAL   A 1 157 ? 6.320   12.039  25.521 1.00 35.38 ? 157 VAL   A CA  1 
ATOM   1247 C C   . VAL   A 1 157 ? 5.129   12.517  24.711 1.00 31.94 ? 157 VAL   A C   1 
ATOM   1248 O O   . VAL   A 1 157 ? 3.997   12.622  25.205 1.00 32.34 ? 157 VAL   A O   1 
ATOM   1249 C CB  . VAL   A 1 157 ? 6.391   10.503  25.561 1.00 34.76 ? 157 VAL   A CB  1 
ATOM   1250 C CG1 . VAL   A 1 157 ? 7.704   10.052  26.208 1.00 28.71 ? 157 VAL   A CG1 1 
ATOM   1251 C CG2 . VAL   A 1 157 ? 5.187   9.920   26.286 1.00 34.89 ? 157 VAL   A CG2 1 
ATOM   1252 N N   . ASP   A 1 158 ? 5.380   12.804  23.465 1.00 36.34 ? 158 ASP   A N   1 
ATOM   1253 C CA  . ASP   A 1 158 ? 4.375   13.466  22.651 1.00 27.70 ? 158 ASP   A CA  1 
ATOM   1254 C C   . ASP   A 1 158 ? 4.525   13.135  21.176 1.00 28.12 ? 158 ASP   A C   1 
ATOM   1255 O O   . ASP   A 1 158 ? 3.736   13.628  20.370 1.00 35.01 ? 158 ASP   A O   1 
ATOM   1256 C CB  . ASP   A 1 158 ? 4.453   14.990  22.880 1.00 27.39 ? 158 ASP   A CB  1 
ATOM   1257 C CG  . ASP   A 1 158 ? 5.801   15.579  22.489 1.00 37.73 ? 158 ASP   A CG  1 
ATOM   1258 O OD1 . ASP   A 1 158 ? 6.628   14.894  21.846 1.00 35.21 ? 158 ASP   A OD1 1 
ATOM   1259 O OD2 . ASP   A 1 158 ? 6.054   16.738  22.857 1.00 42.68 ? 158 ASP   A OD2 1 
ATOM   1260 N N   . HIS   A 1 159 ? 5.467   12.291  20.800 1.00 26.00 ? 159 HIS   A N   1 
ATOM   1261 C CA  . HIS   A 1 159 ? 5.841   12.182  19.398 1.00 26.83 ? 159 HIS   A CA  1 
ATOM   1262 C C   . HIS   A 1 159 ? 6.256   10.753  19.147 1.00 30.85 ? 159 HIS   A C   1 
ATOM   1263 O O   . HIS   A 1 159 ? 7.153   10.249  19.826 1.00 28.56 ? 159 HIS   A O   1 
ATOM   1264 C CB  . HIS   A 1 159 ? 6.980   13.140  19.061 1.00 23.07 ? 159 HIS   A CB  1 
ATOM   1265 C CG  . HIS   A 1 159 ? 7.340   13.161  17.603 1.00 25.40 ? 159 HIS   A CG  1 
ATOM   1266 N ND1 . HIS   A 1 159 ? 6.412   13.414  16.615 1.00 31.99 ? 159 HIS   A ND1 1 
ATOM   1267 C CD2 . HIS   A 1 159 ? 8.527   12.998  16.967 1.00 27.74 ? 159 HIS   A CD2 1 
ATOM   1268 C CE1 . HIS   A 1 159 ? 7.006   13.391  15.432 1.00 34.66 ? 159 HIS   A CE1 1 
ATOM   1269 N NE2 . HIS   A 1 159 ? 8.290   13.147  15.616 1.00 26.77 ? 159 HIS   A NE2 1 
ATOM   1270 N N   . ALA   A 1 160 ? 5.606   10.105  18.185 1.00 24.23 ? 160 ALA   A N   1 
ATOM   1271 C CA  . ALA   A 1 160 ? 5.910   8.727   17.860 1.00 28.84 ? 160 ALA   A CA  1 
ATOM   1272 C C   . ALA   A 1 160 ? 6.922   8.733   16.731 1.00 25.48 ? 160 ALA   A C   1 
ATOM   1273 O O   . ALA   A 1 160 ? 6.771   9.475   15.750 1.00 26.75 ? 160 ALA   A O   1 
ATOM   1274 C CB  . ALA   A 1 160 ? 4.642   7.978   17.457 1.00 26.10 ? 160 ALA   A CB  1 
ATOM   1275 N N   . VAL   A 1 161 ? 7.979   7.951   16.898 1.00 27.33 ? 161 VAL   A N   1 
ATOM   1276 C CA  . VAL   A 1 161 ? 8.991   7.823   15.862 1.00 25.20 ? 161 VAL   A CA  1 
ATOM   1277 C C   . VAL   A 1 161 ? 9.290   6.344   15.715 1.00 26.05 ? 161 VAL   A C   1 
ATOM   1278 O O   . VAL   A 1 161 ? 8.509   5.498   16.151 1.00 24.96 ? 161 VAL   A O   1 
ATOM   1279 C CB  . VAL   A 1 161 ? 10.250  8.613   16.224 1.00 25.92 ? 161 VAL   A CB  1 
ATOM   1280 C CG1 . VAL   A 1 161 ? 9.980   10.104  16.091 1.00 25.24 ? 161 VAL   A CG1 1 
ATOM   1281 C CG2 . VAL   A 1 161 ? 10.684  8.242   17.662 1.00 31.47 ? 161 VAL   A CG2 1 
ATOM   1282 N N   . ALA   A 1 162 ? 10.410  6.016   15.094 1.00 27.38 ? 162 ALA   A N   1 
ATOM   1283 C CA  . ALA   A 1 162 ? 10.737  4.615   14.888 1.00 34.04 ? 162 ALA   A CA  1 
ATOM   1284 C C   . ALA   A 1 162 ? 12.225  4.420   15.108 1.00 26.53 ? 162 ALA   A C   1 
ATOM   1285 O O   . ALA   A 1 162 ? 13.043  5.141   14.529 1.00 27.44 ? 162 ALA   A O   1 
ATOM   1286 C CB  . ALA   A 1 162 ? 10.333  4.154   13.483 1.00 25.89 ? 162 ALA   A CB  1 
ATOM   1287 N N   . ALA   A 1 163 ? 12.576  3.462   15.954 1.00 26.82 ? 163 ALA   A N   1 
ATOM   1288 C CA  . ALA   A 1 163 ? 13.974  3.110   16.169 1.00 24.29 ? 163 ALA   A CA  1 
ATOM   1289 C C   . ALA   A 1 163 ? 14.350  2.069   15.127 1.00 25.74 ? 163 ALA   A C   1 
ATOM   1290 O O   . ALA   A 1 163 ? 13.702  1.022   15.027 1.00 25.90 ? 163 ALA   A O   1 
ATOM   1291 C CB  . ALA   A 1 163 ? 14.197  2.567   17.582 1.00 30.67 ? 163 ALA   A CB  1 
ATOM   1292 N N   . VAL   A 1 164 ? 15.371  2.362   14.336 1.00 22.07 ? 164 VAL   A N   1 
ATOM   1293 C CA  . VAL   A 1 164 ? 15.776  1.458   13.272 1.00 28.22 ? 164 VAL   A CA  1 
ATOM   1294 C C   . VAL   A 1 164 ? 17.221  0.998   13.469 1.00 24.86 ? 164 VAL   A C   1 
ATOM   1295 O O   . VAL   A 1 164 ? 17.855  0.497   12.550 1.00 28.94 ? 164 VAL   A O   1 
ATOM   1296 C CB  . VAL   A 1 164 ? 15.568  2.112   11.893 1.00 26.98 ? 164 VAL   A CB  1 
ATOM   1297 C CG1 . VAL   A 1 164 ? 14.110  2.470   11.702 1.00 35.26 ? 164 VAL   A CG1 1 
ATOM   1298 C CG2 . VAL   A 1 164 ? 16.433  3.360   11.781 1.00 29.31 ? 164 VAL   A CG2 1 
ATOM   1299 N N   . GLY   A 1 165 ? 17.757  1.186   14.664 1.00 28.94 ? 165 GLY   A N   1 
ATOM   1300 C CA  . GLY   A 1 165 ? 19.132  0.818   14.904 1.00 30.85 ? 165 GLY   A CA  1 
ATOM   1301 C C   . GLY   A 1 165 ? 19.598  1.332   16.249 1.00 30.80 ? 165 GLY   A C   1 
ATOM   1302 O O   . GLY   A 1 165 ? 18.864  2.003   16.982 1.00 24.59 ? 165 GLY   A O   1 
ATOM   1303 N N   . TYR   A 1 166 ? 20.838  0.984   16.568 1.00 33.17 ? 166 TYR   A N   1 
ATOM   1304 C CA  . TYR   A 1 166 ? 21.448  1.451   17.805 1.00 28.26 ? 166 TYR   A CA  1 
ATOM   1305 C C   . TYR   A 1 166 ? 22.943  1.204   17.719 1.00 23.98 ? 166 TYR   A C   1 
ATOM   1306 O O   . TYR   A 1 166 ? 23.440  0.473   16.852 1.00 31.28 ? 166 TYR   A O   1 
ATOM   1307 C CB  . TYR   A 1 166 ? 20.856  0.777   19.057 1.00 24.07 ? 166 TYR   A CB  1 
ATOM   1308 C CG  . TYR   A 1 166 ? 21.125  -0.701  19.104 1.00 26.04 ? 166 TYR   A CG  1 
ATOM   1309 C CD1 . TYR   A 1 166 ? 22.380  -1.189  19.499 1.00 28.54 ? 166 TYR   A CD1 1 
ATOM   1310 C CD2 . TYR   A 1 166 ? 20.132  -1.614  18.758 1.00 25.83 ? 166 TYR   A CD2 1 
ATOM   1311 C CE1 . TYR   A 1 166 ? 22.641  -2.537  19.513 1.00 32.48 ? 166 TYR   A CE1 1 
ATOM   1312 C CE2 . TYR   A 1 166 ? 20.378  -2.978  18.784 1.00 29.05 ? 166 TYR   A CE2 1 
ATOM   1313 C CZ  . TYR   A 1 166 ? 21.637  -3.429  19.167 1.00 28.66 ? 166 TYR   A CZ  1 
ATOM   1314 O OH  . TYR   A 1 166 ? 21.908  -4.779  19.186 1.00 23.52 ? 166 TYR   A OH  1 
ATOM   1315 N N   . GLY   A 1 167 ? 23.649  1.823   18.648 1.00 26.28 ? 167 GLY   A N   1 
ATOM   1316 C CA  . GLY   A 1 167 ? 25.069  1.653   18.808 1.00 27.90 ? 167 GLY   A CA  1 
ATOM   1317 C C   . GLY   A 1 167 ? 25.361  1.559   20.285 1.00 27.84 ? 167 GLY   A C   1 
ATOM   1318 O O   . GLY   A 1 167 ? 24.449  1.519   21.119 1.00 31.45 ? 167 GLY   A O   1 
ATOM   1319 N N   . PRO   A 1 168 ? 26.642  1.480   20.637 1.00 31.42 ? 168 PRO   A N   1 
ATOM   1320 C CA  . PRO   A 1 168 ? 27.022  1.457   22.059 1.00 30.46 ? 168 PRO   A CA  1 
ATOM   1321 C C   . PRO   A 1 168 ? 26.420  2.582   22.891 1.00 27.62 ? 168 PRO   A C   1 
ATOM   1322 O O   . PRO   A 1 168 ? 26.041  2.364   24.044 1.00 32.42 ? 168 PRO   A O   1 
ATOM   1323 C CB  . PRO   A 1 168 ? 28.547  1.594   21.964 1.00 36.95 ? 168 PRO   A CB  1 
ATOM   1324 C CG  . PRO   A 1 168 ? 28.854  0.777   20.743 1.00 35.53 ? 168 PRO   A CG  1 
ATOM   1325 C CD  . PRO   A 1 168 ? 27.828  1.339   19.768 1.00 31.96 ? 168 PRO   A CD  1 
ATOM   1326 N N   A ASN   A 1 169 ? 26.341  3.791   22.337 0.65 30.95 ? 169 ASN   A N   1 
ATOM   1327 N N   B ASN   A 1 169 ? 26.342  3.793   22.343 0.35 30.72 ? 169 ASN   A N   1 
ATOM   1328 C CA  A ASN   A 1 169 ? 25.925  4.961   23.102 0.65 33.66 ? 169 ASN   A CA  1 
ATOM   1329 C CA  B ASN   A 1 169 ? 25.920  4.959   23.112 0.35 33.62 ? 169 ASN   A CA  1 
ATOM   1330 C C   A ASN   A 1 169 ? 24.644  5.605   22.580 0.65 33.46 ? 169 ASN   A C   1 
ATOM   1331 C C   B ASN   A 1 169 ? 24.670  5.625   22.550 0.35 33.21 ? 169 ASN   A C   1 
ATOM   1332 O O   A ASN   A 1 169 ? 24.287  6.703   23.027 0.65 32.11 ? 169 ASN   A O   1 
ATOM   1333 O O   B ASN   A 1 169 ? 24.363  6.763   22.931 0.35 32.16 ? 169 ASN   A O   1 
ATOM   1334 C CB  A ASN   A 1 169 ? 27.052  6.003   23.132 0.65 35.10 ? 169 ASN   A CB  1 
ATOM   1335 C CB  B ASN   A 1 169 ? 27.060  5.982   23.186 0.35 35.05 ? 169 ASN   A CB  1 
ATOM   1336 C CG  A ASN   A 1 169 ? 27.789  6.136   21.790 0.65 36.65 ? 169 ASN   A CG  1 
ATOM   1337 C CG  B ASN   A 1 169 ? 28.200  5.529   24.079 0.35 34.36 ? 169 ASN   A CG  1 
ATOM   1338 O OD1 A ASN   A 1 169 ? 27.449  5.493   20.786 0.65 33.51 ? 169 ASN   A OD1 1 
ATOM   1339 O OD1 B ASN   A 1 169 ? 28.016  4.705   24.972 0.35 43.62 ? 169 ASN   A OD1 1 
ATOM   1340 N ND2 A ASN   A 1 169 ? 28.807  6.997   21.773 0.65 43.70 ? 169 ASN   A ND2 1 
ATOM   1341 N ND2 B ASN   A 1 169 ? 29.391  6.055   23.829 0.35 42.45 ? 169 ASN   A ND2 1 
ATOM   1342 N N   . TYR   A 1 170 ? 23.939  4.967   21.655 1.00 28.64 ? 170 TYR   A N   1 
ATOM   1343 C CA  . TYR   A 1 170 ? 22.779  5.623   21.069 1.00 29.10 ? 170 TYR   A CA  1 
ATOM   1344 C C   . TYR   A 1 170 ? 21.792  4.613   20.523 1.00 26.78 ? 170 TYR   A C   1 
ATOM   1345 O O   . TYR   A 1 170 ? 22.121  3.447   20.273 1.00 32.43 ? 170 TYR   A O   1 
ATOM   1346 C CB  . TYR   A 1 170 ? 23.173  6.581   19.942 1.00 32.67 ? 170 TYR   A CB  1 
ATOM   1347 C CG  . TYR   A 1 170 ? 23.777  5.877   18.750 1.00 28.67 ? 170 TYR   A CG  1 
ATOM   1348 C CD1 . TYR   A 1 170 ? 22.975  5.385   17.717 1.00 29.06 ? 170 TYR   A CD1 1 
ATOM   1349 C CD2 . TYR   A 1 170 ? 25.155  5.713   18.648 1.00 34.92 ? 170 TYR   A CD2 1 
ATOM   1350 C CE1 . TYR   A 1 170 ? 23.530  4.725   16.632 1.00 32.03 ? 170 TYR   A CE1 1 
ATOM   1351 C CE2 . TYR   A 1 170 ? 25.718  5.083   17.568 1.00 33.51 ? 170 TYR   A CE2 1 
ATOM   1352 C CZ  . TYR   A 1 170 ? 24.901  4.590   16.557 1.00 37.00 ? 170 TYR   A CZ  1 
ATOM   1353 O OH  . TYR   A 1 170 ? 25.456  3.961   15.481 1.00 34.84 ? 170 TYR   A OH  1 
ATOM   1354 N N   . ILE   A 1 171 ? 20.564  5.096   20.362 1.00 26.23 ? 171 ILE   A N   1 
ATOM   1355 C CA  . ILE   A 1 171 ? 19.524  4.438   19.591 1.00 26.69 ? 171 ILE   A CA  1 
ATOM   1356 C C   . ILE   A 1 171 ? 19.273  5.306   18.361 1.00 28.96 ? 171 ILE   A C   1 
ATOM   1357 O O   . ILE   A 1 171 ? 19.202  6.541   18.467 1.00 28.13 ? 171 ILE   A O   1 
ATOM   1358 C CB  . ILE   A 1 171 ? 18.257  4.231   20.438 1.00 28.76 ? 171 ILE   A CB  1 
ATOM   1359 C CG1 . ILE   A 1 171 ? 18.499  3.117   21.460 1.00 32.30 ? 171 ILE   A CG1 1 
ATOM   1360 C CG2 . ILE   A 1 171 ? 17.086  3.810   19.595 1.00 30.13 ? 171 ILE   A CG2 1 
ATOM   1361 C CD1 . ILE   A 1 171 ? 17.838  3.368   22.796 1.00 38.30 ? 171 ILE   A CD1 1 
ATOM   1362 N N   . LEU   A 1 172 ? 19.220  4.666   17.192 1.00 24.99 ? 172 LEU   A N   1 
ATOM   1363 C CA  . LEU   A 1 172 ? 19.051  5.359   15.916 1.00 24.77 ? 172 LEU   A CA  1 
ATOM   1364 C C   . LEU   A 1 172 ? 17.561  5.474   15.603 1.00 25.90 ? 172 LEU   A C   1 
ATOM   1365 O O   . LEU   A 1 172 ? 16.839  4.464   15.551 1.00 27.31 ? 172 LEU   A O   1 
ATOM   1366 C CB  . LEU   A 1 172 ? 19.798  4.619   14.809 1.00 28.99 ? 172 LEU   A CB  1 
ATOM   1367 C CG  . LEU   A 1 172 ? 19.548  5.125   13.392 1.00 31.16 ? 172 LEU   A CG  1 
ATOM   1368 C CD1 . LEU   A 1 172 ? 20.046  6.528   13.249 1.00 22.35 ? 172 LEU   A CD1 1 
ATOM   1369 C CD2 . LEU   A 1 172 ? 20.186  4.201   12.368 1.00 32.65 ? 172 LEU   A CD2 1 
ATOM   1370 N N   . ILE   A 1 173 ? 17.098  6.705   15.406 1.00 27.37 ? 173 ILE   A N   1 
ATOM   1371 C CA  . ILE   A 1 173 ? 15.679  7.009   15.257 1.00 24.78 ? 173 ILE   A CA  1 
ATOM   1372 C C   . ILE   A 1 173 ? 15.435  7.614   13.886 1.00 27.96 ? 173 ILE   A C   1 
ATOM   1373 O O   . ILE   A 1 173 ? 16.130  8.550   13.485 1.00 29.06 ? 173 ILE   A O   1 
ATOM   1374 C CB  . ILE   A 1 173 ? 15.170  7.959   16.359 1.00 29.25 ? 173 ILE   A CB  1 
ATOM   1375 C CG1 . ILE   A 1 173 ? 15.374  7.385   17.763 1.00 38.03 ? 173 ILE   A CG1 1 
ATOM   1376 C CG2 . ILE   A 1 173 ? 13.725  8.431   16.089 1.00 22.81 ? 173 ILE   A CG2 1 
ATOM   1377 C CD1 . ILE   A 1 173 ? 14.652  6.079   17.978 1.00 34.34 ? 173 ILE   A CD1 1 
ATOM   1378 N N   . LYS   A 1 174 ? 14.433  7.087   13.186 1.00 27.69 ? 174 LYS   A N   1 
ATOM   1379 C CA  . LYS   A 1 174 ? 13.892  7.707   11.979 1.00 24.94 ? 174 LYS   A CA  1 
ATOM   1380 C C   . LYS   A 1 174 ? 12.772  8.648   12.414 1.00 28.26 ? 174 LYS   A C   1 
ATOM   1381 O O   . LYS   A 1 174 ? 11.755  8.210   12.967 1.00 28.96 ? 174 LYS   A O   1 
ATOM   1382 C CB  . LYS   A 1 174 ? 13.376  6.644   11.011 1.00 29.72 ? 174 LYS   A CB  1 
ATOM   1383 C CG  . LYS   A 1 174 ? 12.877  7.199   9.656  1.00 21.78 ? 174 LYS   A CG  1 
ATOM   1384 C CD  . LYS   A 1 174 ? 12.409  6.081   8.754  1.00 23.86 ? 174 LYS   A CD  1 
ATOM   1385 C CE  . LYS   A 1 174 ? 12.090  6.585   7.329  1.00 28.06 ? 174 LYS   A CE  1 
ATOM   1386 N NZ  . LYS   A 1 174 ? 11.245  5.559   6.616  1.00 25.73 ? 174 LYS   A NZ  1 
ATOM   1387 N N   . ASN   A 1 175 ? 12.978  9.940   12.217 1.00 24.72 ? 175 ASN   A N   1 
ATOM   1388 C CA  . ASN   A 1 175 ? 11.912  10.893  12.434 1.00 23.88 ? 175 ASN   A CA  1 
ATOM   1389 C C   . ASN   A 1 175 ? 11.129  11.083  11.140 1.00 25.39 ? 175 ASN   A C   1 
ATOM   1390 O O   . ASN   A 1 175 ? 11.546  10.653  10.060 1.00 23.89 ? 175 ASN   A O   1 
ATOM   1391 C CB  . ASN   A 1 175 ? 12.477  12.218  12.923 1.00 26.10 ? 175 ASN   A CB  1 
ATOM   1392 C CG  . ASN   A 1 175 ? 11.466  13.021  13.708 1.00 24.98 ? 175 ASN   A CG  1 
ATOM   1393 O OD1 . ASN   A 1 175 ? 10.331  12.578  13.887 1.00 23.34 ? 175 ASN   A OD1 1 
ATOM   1394 N ND2 . ASN   A 1 175 ? 11.861  14.210  14.172 1.00 26.00 ? 175 ASN   A ND2 1 
ATOM   1395 N N   . SER   A 1 176 ? 10.018  11.793  11.248 1.00 26.84 ? 176 SER   A N   1 
ATOM   1396 C CA  . SER   A 1 176 ? 9.132   12.058  10.118 1.00 25.27 ? 176 SER   A CA  1 
ATOM   1397 C C   . SER   A 1 176 ? 9.033   13.546  9.843  1.00 23.31 ? 176 SER   A C   1 
ATOM   1398 O O   . SER   A 1 176 ? 7.974   14.069  9.469  1.00 30.01 ? 176 SER   A O   1 
ATOM   1399 C CB  . SER   A 1 176 ? 7.752   11.458  10.370 1.00 26.63 ? 176 SER   A CB  1 
ATOM   1400 O OG  . SER   A 1 176 ? 7.289   11.863  11.648 1.00 26.37 ? 176 SER   A OG  1 
ATOM   1401 N N   . TRP   A 1 177 ? 10.154  14.251  10.007 1.00 22.03 ? 177 TRP   A N   1 
ATOM   1402 C CA  . TRP   A 1 177 ? 10.180  15.692  9.831  1.00 21.97 ? 177 TRP   A CA  1 
ATOM   1403 C C   . TRP   A 1 177 ? 10.928  16.094  8.571  1.00 28.42 ? 177 TRP   A C   1 
ATOM   1404 O O   . TRP   A 1 177 ? 11.335  17.250  8.444  1.00 25.33 ? 177 TRP   A O   1 
ATOM   1405 C CB  . TRP   A 1 177 ? 10.799  16.349  11.059 1.00 23.80 ? 177 TRP   A CB  1 
ATOM   1406 C CG  . TRP   A 1 177 ? 9.888   16.357  12.219 1.00 32.74 ? 177 TRP   A CG  1 
ATOM   1407 C CD1 . TRP   A 1 177 ? 8.592   15.921  12.255 1.00 30.90 ? 177 TRP   A CD1 1 
ATOM   1408 C CD2 . TRP   A 1 177 ? 10.214  16.774  13.540 1.00 28.01 ? 177 TRP   A CD2 1 
ATOM   1409 N NE1 . TRP   A 1 177 ? 8.075   16.073  13.529 1.00 30.11 ? 177 TRP   A NE1 1 
ATOM   1410 C CE2 . TRP   A 1 177 ? 9.051   16.598  14.336 1.00 27.99 ? 177 TRP   A CE2 1 
ATOM   1411 C CE3 . TRP   A 1 177 ? 11.370  17.303  14.133 1.00 27.97 ? 177 TRP   A CE3 1 
ATOM   1412 C CZ2 . TRP   A 1 177 ? 9.019   16.916  15.688 1.00 26.99 ? 177 TRP   A CZ2 1 
ATOM   1413 C CZ3 . TRP   A 1 177 ? 11.332  17.622  15.484 1.00 28.37 ? 177 TRP   A CZ3 1 
ATOM   1414 C CH2 . TRP   A 1 177 ? 10.159  17.439  16.243 1.00 30.45 ? 177 TRP   A CH2 1 
ATOM   1415 N N   . GLY   A 1 178 ? 11.106  15.154  7.636  1.00 28.62 ? 178 GLY   A N   1 
ATOM   1416 C CA  . GLY   A 1 178 ? 11.815  15.400  6.404  1.00 23.95 ? 178 GLY   A CA  1 
ATOM   1417 C C   . GLY   A 1 178 ? 13.302  15.137  6.533  1.00 27.16 ? 178 GLY   A C   1 
ATOM   1418 O O   . GLY   A 1 178 ? 13.841  14.883  7.612  1.00 25.49 ? 178 GLY   A O   1 
ATOM   1419 N N   . THR   A 1 179 ? 13.981  15.230  5.396  1.00 25.24 ? 179 THR   A N   1 
ATOM   1420 C CA  . THR   A 1 179 ? 15.413  14.961  5.342  1.00 26.96 ? 179 THR   A CA  1 
ATOM   1421 C C   . THR   A 1 179 ? 16.243  16.147  5.791  1.00 27.75 ? 179 THR   A C   1 
ATOM   1422 O O   . THR   A 1 179 ? 17.442  15.982  6.040  1.00 34.19 ? 179 THR   A O   1 
ATOM   1423 C CB  . THR   A 1 179 ? 15.830  14.585  3.917  1.00 30.18 ? 179 THR   A CB  1 
ATOM   1424 O OG1 . THR   A 1 179 ? 15.507  15.677  3.040  1.00 25.65 ? 179 THR   A OG1 1 
ATOM   1425 C CG2 . THR   A 1 179 ? 15.098  13.332  3.455  1.00 29.43 ? 179 THR   A CG2 1 
ATOM   1426 N N   . GLY   A 1 180 ? 15.647  17.339  5.872  1.00 30.06 ? 180 GLY   A N   1 
ATOM   1427 C CA  . GLY   A 1 180 ? 16.373  18.498  6.368  1.00 27.56 ? 180 GLY   A CA  1 
ATOM   1428 C C   . GLY   A 1 180 ? 16.640  18.487  7.863  1.00 36.54 ? 180 GLY   A C   1 
ATOM   1429 O O   . GLY   A 1 180 ? 17.567  19.163  8.324  1.00 36.50 ? 180 GLY   A O   1 
ATOM   1430 N N   . TRP   A 1 181 ? 15.858  17.741  8.630  1.00 28.92 ? 181 TRP   A N   1 
ATOM   1431 C CA  . TRP   A 1 181 ? 15.977  17.759  10.086 1.00 26.00 ? 181 TRP   A CA  1 
ATOM   1432 C C   . TRP   A 1 181 ? 17.006  16.744  10.554 1.00 27.62 ? 181 TRP   A C   1 
ATOM   1433 O O   . TRP   A 1 181 ? 17.125  15.652  9.993  1.00 27.47 ? 181 TRP   A O   1 
ATOM   1434 C CB  . TRP   A 1 181 ? 14.627  17.468  10.745 1.00 28.89 ? 181 TRP   A CB  1 
ATOM   1435 C CG  . TRP   A 1 181 ? 14.686  17.415  12.253 1.00 26.87 ? 181 TRP   A CG  1 
ATOM   1436 C CD1 . TRP   A 1 181 ? 14.521  18.461  13.124 1.00 25.37 ? 181 TRP   A CD1 1 
ATOM   1437 C CD2 . TRP   A 1 181 ? 14.889  16.246  13.056 1.00 31.11 ? 181 TRP   A CD2 1 
ATOM   1438 N NE1 . TRP   A 1 181 ? 14.651  18.020  14.427 1.00 29.44 ? 181 TRP   A NE1 1 
ATOM   1439 C CE2 . TRP   A 1 181 ? 14.860  16.661  14.413 1.00 29.88 ? 181 TRP   A CE2 1 
ATOM   1440 C CE3 . TRP   A 1 181 ? 15.127  14.890  12.761 1.00 22.73 ? 181 TRP   A CE3 1 
ATOM   1441 C CZ2 . TRP   A 1 181 ? 15.020  15.770  15.477 1.00 24.65 ? 181 TRP   A CZ2 1 
ATOM   1442 C CZ3 . TRP   A 1 181 ? 15.285  13.992  13.850 1.00 24.74 ? 181 TRP   A CZ3 1 
ATOM   1443 C CH2 . TRP   A 1 181 ? 15.235  14.449  15.179 1.00 24.50 ? 181 TRP   A CH2 1 
ATOM   1444 N N   . GLY   A 1 182 ? 17.759  17.111  11.584 1.00 25.73 ? 182 GLY   A N   1 
ATOM   1445 C CA  . GLY   A 1 182 ? 18.616  16.103  12.181 1.00 24.23 ? 182 GLY   A CA  1 
ATOM   1446 C C   . GLY   A 1 182 ? 19.657  15.594  11.214 1.00 27.77 ? 182 GLY   A C   1 
ATOM   1447 O O   . GLY   A 1 182 ? 20.193  16.339  10.394 1.00 30.79 ? 182 GLY   A O   1 
ATOM   1448 N N   . GLU   A 1 183 ? 19.925  14.298  11.282 1.00 30.93 ? 183 GLU   A N   1 
ATOM   1449 C CA  . GLU   A 1 183 ? 20.943  13.661  10.444 1.00 27.52 ? 183 GLU   A CA  1 
ATOM   1450 C C   . GLU   A 1 183 ? 20.246  13.030  9.246  1.00 32.85 ? 183 GLU   A C   1 
ATOM   1451 O O   . GLU   A 1 183 ? 19.923  11.843  9.229  1.00 28.61 ? 183 GLU   A O   1 
ATOM   1452 C CB  . GLU   A 1 183 ? 21.745  12.641  11.253 1.00 28.66 ? 183 GLU   A CB  1 
ATOM   1453 C CG  . GLU   A 1 183 ? 22.622  13.290  12.309 1.00 37.75 ? 183 GLU   A CG  1 
ATOM   1454 C CD  . GLU   A 1 183 ? 23.414  12.302  13.162 1.00 34.59 ? 183 GLU   A CD  1 
ATOM   1455 O OE1 . GLU   A 1 183 ? 23.126  11.083  13.163 1.00 33.48 ? 183 GLU   A OE1 1 
ATOM   1456 O OE2 . GLU   A 1 183 ? 24.350  12.759  13.839 1.00 34.21 ? 183 GLU   A OE2 1 
ATOM   1457 N N   . ASN   A 1 184 ? 20.010  13.859  8.227  1.00 27.16 ? 184 ASN   A N   1 
ATOM   1458 C CA  . ASN   A 1 184 ? 19.290  13.422  7.034  1.00 35.79 ? 184 ASN   A CA  1 
ATOM   1459 C C   . ASN   A 1 184 ? 17.951  12.810  7.427  1.00 28.77 ? 184 ASN   A C   1 
ATOM   1460 O O   . ASN   A 1 184 ? 17.516  11.804  6.866  1.00 31.35 ? 184 ASN   A O   1 
ATOM   1461 C CB  . ASN   A 1 184 ? 20.135  12.440  6.226  1.00 29.06 ? 184 ASN   A CB  1 
ATOM   1462 C CG  . ASN   A 1 184 ? 21.413  13.070  5.744  1.00 38.48 ? 184 ASN   A CG  1 
ATOM   1463 O OD1 . ASN   A 1 184 ? 21.469  14.282  5.561  1.00 34.47 ? 184 ASN   A OD1 1 
ATOM   1464 N ND2 . ASN   A 1 184 ? 22.461  12.268  5.587  1.00 46.72 ? 184 ASN   A ND2 1 
ATOM   1465 N N   . GLY   A 1 185 ? 17.323  13.395  8.449  1.00 22.59 ? 185 GLY   A N   1 
ATOM   1466 C CA  . GLY   A 1 185 ? 16.031  12.940  8.912  1.00 25.16 ? 185 GLY   A CA  1 
ATOM   1467 C C   . GLY   A 1 185 ? 16.069  11.999  10.100 1.00 25.26 ? 185 GLY   A C   1 
ATOM   1468 O O   . GLY   A 1 185 ? 15.002  11.608  10.593 1.00 27.14 ? 185 GLY   A O   1 
ATOM   1469 N N   . TYR   A 1 186 ? 17.251  11.617  10.562 1.00 27.27 ? 186 TYR   A N   1 
ATOM   1470 C CA  . TYR   A 1 186 ? 17.428  10.697  11.673 1.00 26.47 ? 186 TYR   A CA  1 
ATOM   1471 C C   . TYR   A 1 186 ? 17.980  11.426  12.889 1.00 25.09 ? 186 TYR   A C   1 
ATOM   1472 O O   . TYR   A 1 186 ? 18.546  12.521  12.785 1.00 26.82 ? 186 TYR   A O   1 
ATOM   1473 C CB  . TYR   A 1 186 ? 18.386  9.568   11.282 1.00 27.69 ? 186 TYR   A CB  1 
ATOM   1474 C CG  . TYR   A 1 186 ? 17.774  8.649   10.267 1.00 25.29 ? 186 TYR   A CG  1 
ATOM   1475 C CD1 . TYR   A 1 186 ? 17.752  8.986   8.920  1.00 24.85 ? 186 TYR   A CD1 1 
ATOM   1476 C CD2 . TYR   A 1 186 ? 17.203  7.453   10.659 1.00 26.21 ? 186 TYR   A CD2 1 
ATOM   1477 C CE1 . TYR   A 1 186 ? 17.192  8.141   7.980  1.00 26.97 ? 186 TYR   A CE1 1 
ATOM   1478 C CE2 . TYR   A 1 186 ? 16.630  6.597   9.728  1.00 31.28 ? 186 TYR   A CE2 1 
ATOM   1479 C CZ  . TYR   A 1 186 ? 16.618  6.948   8.405  1.00 30.19 ? 186 TYR   A CZ  1 
ATOM   1480 O OH  . TYR   A 1 186 ? 16.057  6.086   7.496  1.00 33.67 ? 186 TYR   A OH  1 
ATOM   1481 N N   . ILE   A 1 187 ? 17.837  10.777  14.044 1.00 26.70 ? 187 ILE   A N   1 
ATOM   1482 C CA  . ILE   A 1 187 ? 18.446  11.229  15.292 1.00 25.22 ? 187 ILE   A CA  1 
ATOM   1483 C C   . ILE   A 1 187 ? 19.022  10.040  16.037 1.00 25.59 ? 187 ILE   A C   1 
ATOM   1484 O O   . ILE   A 1 187 ? 18.394  8.980   16.140 1.00 31.90 ? 187 ILE   A O   1 
ATOM   1485 C CB  . ILE   A 1 187 ? 17.456  12.023  16.175 1.00 30.18 ? 187 ILE   A CB  1 
ATOM   1486 C CG1 . ILE   A 1 187 ? 18.184  12.549  17.425 1.00 25.45 ? 187 ILE   A CG1 1 
ATOM   1487 C CG2 . ILE   A 1 187 ? 16.159  11.247  16.451 1.00 24.43 ? 187 ILE   A CG2 1 
ATOM   1488 C CD1 . ILE   A 1 187 ? 17.428  13.583  18.208 1.00 28.00 ? 187 ILE   A CD1 1 
ATOM   1489 N N   . ARG   A 1 188 ? 20.232  10.223  16.554 1.00 24.13 ? 188 ARG   A N   1 
ATOM   1490 C CA  . ARG   A 1 188 ? 20.848  9.272   17.459 1.00 28.07 ? 188 ARG   A CA  1 
ATOM   1491 C C   . ARG   A 1 188 ? 20.659  9.811   18.866 1.00 29.36 ? 188 ARG   A C   1 
ATOM   1492 O O   . ARG   A 1 188 ? 21.099  10.925  19.182 1.00 32.86 ? 188 ARG   A O   1 
ATOM   1493 C CB  . ARG   A 1 188 ? 22.320  9.064   17.118 1.00 28.99 ? 188 ARG   A CB  1 
ATOM   1494 C CG  . ARG   A 1 188 ? 22.503  8.404   15.766 1.00 32.73 ? 188 ARG   A CG  1 
ATOM   1495 C CD  . ARG   A 1 188 ? 23.962  8.309   15.382 1.00 33.07 ? 188 ARG   A CD  1 
ATOM   1496 N NE  . ARG   A 1 188 ? 24.514  9.632   15.132 1.00 37.97 ? 188 ARG   A NE  1 
ATOM   1497 C CZ  . ARG   A 1 188 ? 25.741  10.009  15.463 1.00 45.42 ? 188 ARG   A CZ  1 
ATOM   1498 N NH1 . ARG   A 1 188 ? 26.552  9.207   16.139 1.00 37.09 ? 188 ARG   A NH1 1 
ATOM   1499 N NH2 . ARG   A 1 188 ? 26.160  11.225  15.115 1.00 35.80 ? 188 ARG   A NH2 1 
ATOM   1500 N N   . ILE   A 1 189 ? 19.955  9.055   19.684 1.00 24.89 ? 189 ILE   A N   1 
ATOM   1501 C CA  . ILE   A 1 189 ? 19.605  9.485   21.027 1.00 31.24 ? 189 ILE   A CA  1 
ATOM   1502 C C   . ILE   A 1 189 ? 20.421  8.651   21.989 1.00 30.85 ? 189 ILE   A C   1 
ATOM   1503 O O   . ILE   A 1 189 ? 20.560  7.430   21.812 1.00 24.34 ? 189 ILE   A O   1 
ATOM   1504 C CB  . ILE   A 1 189 ? 18.098  9.359   21.308 1.00 27.89 ? 189 ILE   A CB  1 
ATOM   1505 C CG1 . ILE   A 1 189 ? 17.329  10.351  20.442 1.00 31.69 ? 189 ILE   A CG1 1 
ATOM   1506 C CG2 . ILE   A 1 189 ? 17.788  9.763   22.763 1.00 30.92 ? 189 ILE   A CG2 1 
ATOM   1507 C CD1 . ILE   A 1 189 ? 15.894  10.446  20.804 1.00 40.30 ? 189 ILE   A CD1 1 
ATOM   1508 N N   . LYS   A 1 190 ? 20.976  9.318   22.989 1.00 30.03 ? 190 LYS   A N   1 
ATOM   1509 C CA  . LYS   A 1 190 ? 21.869  8.645   23.913 1.00 27.76 ? 190 LYS   A CA  1 
ATOM   1510 C C   . LYS   A 1 190 ? 21.132  7.533   24.651 1.00 23.14 ? 190 LYS   A C   1 
ATOM   1511 O O   . LYS   A 1 190 ? 19.988  7.698   25.075 1.00 26.06 ? 190 LYS   A O   1 
ATOM   1512 C CB  . LYS   A 1 190 ? 22.441  9.674   24.887 1.00 33.62 ? 190 LYS   A CB  1 
ATOM   1513 C CG  . LYS   A 1 190 ? 23.208  9.098   26.051 1.00 30.69 ? 190 LYS   A CG  1 
ATOM   1514 C CD  . LYS   A 1 190 ? 24.661  8.931   25.752 1.00 42.15 ? 190 LYS   A CD  1 
ATOM   1515 C CE  . LYS   A 1 190 ? 25.411  8.597   27.043 1.00 42.34 ? 190 LYS   A CE  1 
ATOM   1516 N NZ  . LYS   A 1 190 ? 26.863  8.619   26.778 1.00 44.25 ? 190 LYS   A NZ  1 
ATOM   1517 N N   . ARG   A 1 191 ? 21.785  6.389   24.802 1.00 28.05 ? 191 ARG   A N   1 
ATOM   1518 C CA  . ARG   A 1 191 ? 21.268  5.339   25.666 1.00 28.83 ? 191 ARG   A CA  1 
ATOM   1519 C C   . ARG   A 1 191 ? 22.293  5.036   26.747 1.00 32.81 ? 191 ARG   A C   1 
ATOM   1520 O O   . ARG   A 1 191 ? 23.410  5.550   26.728 1.00 30.40 ? 191 ARG   A O   1 
ATOM   1521 C CB  . ARG   A 1 191 ? 20.940  4.065   24.877 1.00 30.38 ? 191 ARG   A CB  1 
ATOM   1522 C CG  . ARG   A 1 191 ? 22.179  3.326   24.392 1.00 24.94 ? 191 ARG   A CG  1 
ATOM   1523 C CD  . ARG   A 1 191 ? 21.808  2.003   23.739 1.00 24.50 ? 191 ARG   A CD  1 
ATOM   1524 N NE  . ARG   A 1 191 ? 22.972  1.168   23.463 1.00 33.42 ? 191 ARG   A NE  1 
ATOM   1525 C CZ  . ARG   A 1 191 ? 23.496  0.301   24.322 1.00 34.70 ? 191 ARG   A CZ  1 
ATOM   1526 N NH1 . ARG   A 1 191 ? 23.030  0.182   25.555 1.00 32.52 ? 191 ARG   A NH1 1 
ATOM   1527 N NH2 . ARG   A 1 191 ? 24.512  -0.466  23.932 1.00 28.22 ? 191 ARG   A NH2 1 
ATOM   1528 N N   . GLY   A 1 192 ? 21.901  4.181   27.685 1.00 28.78 ? 192 GLY   A N   1 
ATOM   1529 C CA  . GLY   A 1 192 ? 22.837  3.729   28.699 1.00 35.04 ? 192 GLY   A CA  1 
ATOM   1530 C C   . GLY   A 1 192 ? 23.146  4.773   29.747 1.00 36.24 ? 192 GLY   A C   1 
ATOM   1531 O O   . GLY   A 1 192 ? 24.283  4.853   30.214 1.00 44.81 ? 192 GLY   A O   1 
ATOM   1532 N N   . THR   A 1 193 ? 22.167  5.602   30.106 1.00 39.86 ? 193 THR   A N   1 
ATOM   1533 C CA  . THR   A 1 193 ? 22.331  6.598   31.156 1.00 47.37 ? 193 THR   A CA  1 
ATOM   1534 C C   . THR   A 1 193 ? 21.771  6.130   32.493 1.00 45.69 ? 193 THR   A C   1 
ATOM   1535 O O   . THR   A 1 193 ? 21.906  6.841   33.495 1.00 46.99 ? 193 THR   A O   1 
ATOM   1536 C CB  . THR   A 1 193 ? 21.660  7.913   30.737 1.00 43.59 ? 193 THR   A CB  1 
ATOM   1537 O OG1 . THR   A 1 193 ? 20.232  7.750   30.741 1.00 44.89 ? 193 THR   A OG1 1 
ATOM   1538 C CG2 . THR   A 1 193 ? 22.100  8.300   29.345 1.00 37.31 ? 193 THR   A CG2 1 
ATOM   1539 N N   . GLY   A 1 194 ? 21.160  4.945   32.538 1.00 44.10 ? 194 GLY   A N   1 
ATOM   1540 C CA  . GLY   A 1 194 ? 20.551  4.450   33.752 1.00 43.78 ? 194 GLY   A CA  1 
ATOM   1541 C C   . GLY   A 1 194 ? 19.207  5.055   34.071 1.00 54.24 ? 194 GLY   A C   1 
ATOM   1542 O O   . GLY   A 1 194 ? 18.522  4.562   34.977 1.00 54.07 ? 194 GLY   A O   1 
ATOM   1543 N N   . ASN   A 1 195 ? 18.817  6.120   33.371 1.00 47.54 ? 195 ASN   A N   1 
ATOM   1544 C CA  . ASN   A 1 195 ? 17.460  6.644   33.403 1.00 44.28 ? 195 ASN   A CA  1 
ATOM   1545 C C   . ASN   A 1 195 ? 16.517  5.603   32.802 1.00 56.48 ? 195 ASN   A C   1 
ATOM   1546 O O   . ASN   A 1 195 ? 16.526  5.370   31.586 1.00 50.87 ? 195 ASN   A O   1 
ATOM   1547 C CB  . ASN   A 1 195 ? 17.395  7.970   32.631 1.00 49.03 ? 195 ASN   A CB  1 
ATOM   1548 C CG  . ASN   A 1 195 ? 16.049  8.665   32.753 1.00 56.74 ? 195 ASN   A CG  1 
ATOM   1549 O OD1 . ASN   A 1 195 ? 15.094  8.121   33.316 1.00 55.29 ? 195 ASN   A OD1 1 
ATOM   1550 N ND2 . ASN   A 1 195 ? 15.962  9.876   32.204 1.00 57.49 ? 195 ASN   A ND2 1 
ATOM   1551 N N   . SER   A 1 196 ? 15.712  4.956   33.647 1.00 44.04 ? 196 SER   A N   1 
ATOM   1552 C CA  . SER   A 1 196 ? 14.797  3.937   33.147 1.00 46.26 ? 196 SER   A CA  1 
ATOM   1553 C C   . SER   A 1 196 ? 13.728  4.531   32.242 1.00 40.94 ? 196 SER   A C   1 
ATOM   1554 O O   . SER   A 1 196 ? 13.107  3.796   31.469 1.00 47.28 ? 196 SER   A O   1 
ATOM   1555 C CB  . SER   A 1 196 ? 14.153  3.190   34.320 1.00 51.08 ? 196 SER   A CB  1 
ATOM   1556 O OG  . SER   A 1 196 ? 13.307  4.053   35.068 1.00 51.73 ? 196 SER   A OG  1 
ATOM   1557 N N   . TYR   A 1 197 ? 13.492  5.841   32.318 1.00 42.84 ? 197 TYR   A N   1 
ATOM   1558 C CA  . TYR   A 1 197 ? 12.564  6.456   31.380 1.00 43.10 ? 197 TYR   A CA  1 
ATOM   1559 C C   . TYR   A 1 197 ? 13.152  6.515   29.986 1.00 41.37 ? 197 TYR   A C   1 
ATOM   1560 O O   . TYR   A 1 197 ? 12.397  6.595   29.008 1.00 32.48 ? 197 TYR   A O   1 
ATOM   1561 C CB  . TYR   A 1 197 ? 12.205  7.877   31.814 1.00 40.19 ? 197 TYR   A CB  1 
ATOM   1562 C CG  . TYR   A 1 197 ? 11.210  7.918   32.941 1.00 50.82 ? 197 TYR   A CG  1 
ATOM   1563 C CD1 . TYR   A 1 197 ? 11.623  7.745   34.261 1.00 55.35 ? 197 TYR   A CD1 1 
ATOM   1564 C CD2 . TYR   A 1 197 ? 9.852   8.083   32.690 1.00 56.24 ? 197 TYR   A CD2 1 
ATOM   1565 C CE1 . TYR   A 1 197 ? 10.714  7.770   35.307 1.00 55.11 ? 197 TYR   A CE1 1 
ATOM   1566 C CE2 . TYR   A 1 197 ? 8.934   8.105   33.725 1.00 61.83 ? 197 TYR   A CE2 1 
ATOM   1567 C CZ  . TYR   A 1 197 ? 9.369   7.949   35.032 1.00 67.74 ? 197 TYR   A CZ  1 
ATOM   1568 O OH  . TYR   A 1 197 ? 8.452   7.968   36.065 1.00 76.84 ? 197 TYR   A OH  1 
ATOM   1569 N N   . GLY   A 1 198 ? 14.477  6.472   29.886 1.00 32.92 ? 198 GLY   A N   1 
ATOM   1570 C CA  . GLY   A 1 198 ? 15.171  6.759   28.657 1.00 34.06 ? 198 GLY   A CA  1 
ATOM   1571 C C   . GLY   A 1 198 ? 15.281  8.255   28.424 1.00 31.36 ? 198 GLY   A C   1 
ATOM   1572 O O   . GLY   A 1 198 ? 14.522  9.064   28.958 1.00 32.20 ? 198 GLY   A O   1 
ATOM   1573 N N   . VAL   A 1 199 ? 16.265  8.628   27.622 1.00 30.68 ? 199 VAL   A N   1 
ATOM   1574 C CA  . VAL   A 1 199 ? 16.416  10.029  27.278 1.00 27.31 ? 199 VAL   A CA  1 
ATOM   1575 C C   . VAL   A 1 199 ? 15.164  10.497  26.540 1.00 33.55 ? 199 VAL   A C   1 
ATOM   1576 O O   . VAL   A 1 199 ? 14.674  9.826   25.618 1.00 33.38 ? 199 VAL   A O   1 
ATOM   1577 C CB  . VAL   A 1 199 ? 17.690  10.224  26.450 1.00 33.40 ? 199 VAL   A CB  1 
ATOM   1578 C CG1 . VAL   A 1 199 ? 17.803  11.661  25.990 1.00 29.44 ? 199 VAL   A CG1 1 
ATOM   1579 C CG2 . VAL   A 1 199 ? 18.903  9.783   27.266 1.00 34.44 ? 199 VAL   A CG2 1 
ATOM   1580 N N   . CYS   A 1 200 ? 14.634  11.653  26.952 1.00 30.31 ? 200 CYS   A N   1 
ATOM   1581 C CA  . CYS   A 1 200 ? 13.372  12.175  26.409 1.00 30.03 ? 200 CYS   A CA  1 
ATOM   1582 C C   . CYS   A 1 200 ? 12.237  11.159  26.523 1.00 32.66 ? 200 CYS   A C   1 
ATOM   1583 O O   . CYS   A 1 200 ? 11.319  11.145  25.695 1.00 34.18 ? 200 CYS   A O   1 
ATOM   1584 C CB  . CYS   A 1 200 ? 13.525  12.612  24.949 1.00 30.95 ? 200 CYS   A CB  1 
ATOM   1585 S SG  . CYS   A 1 200 ? 14.972  13.630  24.643 1.00 32.45 ? 200 CYS   A SG  1 
ATOM   1586 N N   . GLY   A 1 201 ? 12.301  10.291  27.532 1.00 36.21 ? 201 GLY   A N   1 
ATOM   1587 C CA  . GLY   A 1 201 ? 11.239  9.327   27.755 1.00 33.44 ? 201 GLY   A CA  1 
ATOM   1588 C C   . GLY   A 1 201 ? 11.147  8.231   26.721 1.00 36.89 ? 201 GLY   A C   1 
ATOM   1589 O O   . GLY   A 1 201 ? 10.086  7.625   26.573 1.00 28.74 ? 201 GLY   A O   1 
ATOM   1590 N N   . LEU   A 1 202 ? 12.259  7.926   26.047 1.00 29.02 ? 202 LEU   A N   1 
ATOM   1591 C CA  . LEU   A 1 202 ? 12.295  7.001   24.923 1.00 33.54 ? 202 LEU   A CA  1 
ATOM   1592 C C   . LEU   A 1 202 ? 11.828  5.595   25.267 1.00 32.07 ? 202 LEU   A C   1 
ATOM   1593 O O   . LEU   A 1 202 ? 11.465  4.848   24.355 1.00 29.47 ? 202 LEU   A O   1 
ATOM   1594 C CB  . LEU   A 1 202 ? 13.722  6.925   24.363 1.00 28.90 ? 202 LEU   A CB  1 
ATOM   1595 C CG  . LEU   A 1 202 ? 13.962  6.229   23.023 1.00 36.30 ? 202 LEU   A CG  1 
ATOM   1596 C CD1 . LEU   A 1 202 ? 13.147  6.855   21.903 1.00 32.09 ? 202 LEU   A CD1 1 
ATOM   1597 C CD2 . LEU   A 1 202 ? 15.438  6.297   22.674 1.00 32.06 ? 202 LEU   A CD2 1 
ATOM   1598 N N   . TYR   A 1 203 ? 11.857  5.189   26.539 1.00 31.11 ? 203 TYR   A N   1 
ATOM   1599 C CA  . TYR   A 1 203 ? 11.444  3.831   26.870 1.00 34.48 ? 203 TYR   A CA  1 
ATOM   1600 C C   . TYR   A 1 203 ? 10.008  3.752   27.374 1.00 33.83 ? 203 TYR   A C   1 
ATOM   1601 O O   . TYR   A 1 203 ? 9.611   2.721   27.928 1.00 34.85 ? 203 TYR   A O   1 
ATOM   1602 C CB  . TYR   A 1 203 ? 12.401  3.215   27.888 1.00 28.91 ? 203 TYR   A CB  1 
ATOM   1603 C CG  . TYR   A 1 203 ? 13.856  3.339   27.479 1.00 35.26 ? 203 TYR   A CG  1 
ATOM   1604 C CD1 . TYR   A 1 203 ? 14.221  3.419   26.126 1.00 33.03 ? 203 TYR   A CD1 1 
ATOM   1605 C CD2 . TYR   A 1 203 ? 14.864  3.396   28.437 1.00 30.24 ? 203 TYR   A CD2 1 
ATOM   1606 C CE1 . TYR   A 1 203 ? 15.530  3.540   25.750 1.00 25.54 ? 203 TYR   A CE1 1 
ATOM   1607 C CE2 . TYR   A 1 203 ? 16.190  3.530   28.073 1.00 30.01 ? 203 TYR   A CE2 1 
ATOM   1608 C CZ  . TYR   A 1 203 ? 16.522  3.603   26.731 1.00 26.78 ? 203 TYR   A CZ  1 
ATOM   1609 O OH  . TYR   A 1 203 ? 17.827  3.736   26.343 1.00 31.81 ? 203 TYR   A OH  1 
ATOM   1610 N N   . THR   A 1 204 ? 9.210   4.803   27.160 1.00 31.27 ? 204 THR   A N   1 
ATOM   1611 C CA  . THR   A 1 204 ? 7.865   4.844   27.727 1.00 33.20 ? 204 THR   A CA  1 
ATOM   1612 C C   . THR   A 1 204 ? 6.930   3.833   27.072 1.00 39.51 ? 204 THR   A C   1 
ATOM   1613 O O   . THR   A 1 204 ? 6.215   3.102   27.759 1.00 29.51 ? 204 THR   A O   1 
ATOM   1614 C CB  . THR   A 1 204 ? 7.280   6.242   27.591 1.00 35.73 ? 204 THR   A CB  1 
ATOM   1615 O OG1 . THR   A 1 204 ? 8.122   7.153   28.294 1.00 32.21 ? 204 THR   A OG1 1 
ATOM   1616 C CG2 . THR   A 1 204 ? 5.862   6.276   28.191 1.00 28.38 ? 204 THR   A CG2 1 
ATOM   1617 N N   . SER   A 1 205 ? 6.890   3.786   25.743 1.00 40.29 ? 205 SER   A N   1 
ATOM   1618 C CA  . SER   A 1 205 ? 5.822   3.030   25.096 1.00 30.07 ? 205 SER   A CA  1 
ATOM   1619 C C   . SER   A 1 205 ? 6.294   2.623   23.701 1.00 35.68 ? 205 SER   A C   1 
ATOM   1620 O O   . SER   A 1 205 ? 6.256   3.435   22.773 1.00 32.52 ? 205 SER   A O   1 
ATOM   1621 C CB  . SER   A 1 205 ? 4.549   3.852   25.037 1.00 29.03 ? 205 SER   A CB  1 
ATOM   1622 O OG  . SER   A 1 205 ? 3.478   3.074   24.520 1.00 38.20 ? 205 SER   A OG  1 
ATOM   1623 N N   . SER   A 1 206 ? 6.691   1.363   23.563 1.00 31.05 ? 206 SER   A N   1 
ATOM   1624 C CA  . SER   A 1 206 ? 7.304   0.867   22.343 1.00 26.36 ? 206 SER   A CA  1 
ATOM   1625 C C   . SER   A 1 206 ? 6.542   -0.352  21.851 1.00 33.24 ? 206 SER   A C   1 
ATOM   1626 O O   . SER   A 1 206 ? 6.261   -1.263  22.634 1.00 36.86 ? 206 SER   A O   1 
ATOM   1627 C CB  . SER   A 1 206 ? 8.776   0.520   22.583 1.00 28.93 ? 206 SER   A CB  1 
ATOM   1628 O OG  . SER   A 1 206 ? 9.458   1.645   23.130 1.00 29.63 ? 206 SER   A OG  1 
ATOM   1629 N N   . PHE   A 1 207 ? 6.233   -0.379  20.556 1.00 28.68 ? 207 PHE   A N   1 
ATOM   1630 C CA  . PHE   A 1 207 ? 5.496   -1.482  19.947 1.00 29.90 ? 207 PHE   A CA  1 
ATOM   1631 C C   . PHE   A 1 207 ? 6.132   -1.891  18.635 1.00 38.20 ? 207 PHE   A C   1 
ATOM   1632 O O   . PHE   A 1 207 ? 6.736   -1.078  17.929 1.00 30.33 ? 207 PHE   A O   1 
ATOM   1633 C CB  . PHE   A 1 207 ? 4.042   -1.116  19.670 1.00 29.52 ? 207 PHE   A CB  1 
ATOM   1634 C CG  . PHE   A 1 207 ? 3.261   -0.795  20.901 1.00 27.18 ? 207 PHE   A CG  1 
ATOM   1635 C CD1 . PHE   A 1 207 ? 3.344   0.458   21.478 1.00 27.29 ? 207 PHE   A CD1 1 
ATOM   1636 C CD2 . PHE   A 1 207 ? 2.418   -1.748  21.475 1.00 30.66 ? 207 PHE   A CD2 1 
ATOM   1637 C CE1 . PHE   A 1 207 ? 2.628   0.764   22.609 1.00 28.82 ? 207 PHE   A CE1 1 
ATOM   1638 C CE2 . PHE   A 1 207 ? 1.705   -1.445  22.627 1.00 27.10 ? 207 PHE   A CE2 1 
ATOM   1639 C CZ  . PHE   A 1 207 ? 1.801   -0.188  23.183 1.00 37.97 ? 207 PHE   A CZ  1 
ATOM   1640 N N   . TYR   A 1 208 ? 5.959   -3.159  18.292 1.00 33.14 ? 208 TYR   A N   1 
ATOM   1641 C CA  . TYR   A 1 208 ? 6.406   -3.627  16.996 1.00 26.07 ? 208 TYR   A CA  1 
ATOM   1642 C C   . TYR   A 1 208 ? 5.379   -4.603  16.448 1.00 35.55 ? 208 TYR   A C   1 
ATOM   1643 O O   . TYR   A 1 208 ? 4.697   -5.299  17.215 1.00 32.97 ? 208 TYR   A O   1 
ATOM   1644 C CB  . TYR   A 1 208 ? 7.795   -4.284  17.065 1.00 31.10 ? 208 TYR   A CB  1 
ATOM   1645 C CG  . TYR   A 1 208 ? 7.895   -5.430  18.035 1.00 41.00 ? 208 TYR   A CG  1 
ATOM   1646 C CD1 . TYR   A 1 208 ? 8.207   -5.207  19.373 1.00 43.99 ? 208 TYR   A CD1 1 
ATOM   1647 C CD2 . TYR   A 1 208 ? 7.672   -6.726  17.622 1.00 37.53 ? 208 TYR   A CD2 1 
ATOM   1648 C CE1 . TYR   A 1 208 ? 8.289   -6.260  20.271 1.00 43.85 ? 208 TYR   A CE1 1 
ATOM   1649 C CE2 . TYR   A 1 208 ? 7.756   -7.774  18.506 1.00 38.35 ? 208 TYR   A CE2 1 
ATOM   1650 C CZ  . TYR   A 1 208 ? 8.058   -7.543  19.823 1.00 49.16 ? 208 TYR   A CZ  1 
ATOM   1651 O OH  . TYR   A 1 208 ? 8.136   -8.610  20.696 1.00 54.51 ? 208 TYR   A OH  1 
ATOM   1652 N N   . PRO   A 1 209 ? 5.221   -4.644  15.132 1.00 34.96 ? 209 PRO   A N   1 
ATOM   1653 C CA  . PRO   A 1 209 ? 4.312   -5.612  14.521 1.00 39.79 ? 209 PRO   A CA  1 
ATOM   1654 C C   . PRO   A 1 209 ? 4.923   -6.997  14.491 1.00 35.45 ? 209 PRO   A C   1 
ATOM   1655 O O   . PRO   A 1 209 ? 6.141   -7.177  14.452 1.00 35.91 ? 209 PRO   A O   1 
ATOM   1656 C CB  . PRO   A 1 209 ? 4.124   -5.070  13.100 1.00 33.87 ? 209 PRO   A CB  1 
ATOM   1657 C CG  . PRO   A 1 209 ? 5.431   -4.317  12.832 1.00 38.76 ? 209 PRO   A CG  1 
ATOM   1658 C CD  . PRO   A 1 209 ? 5.754   -3.683  14.153 1.00 31.27 ? 209 PRO   A CD  1 
ATOM   1659 N N   . VAL   A 1 210 ? 4.052   -7.988  14.505 1.00 34.41 ? 210 VAL   A N   1 
ATOM   1660 C CA  . VAL   A 1 210 ? 4.460   -9.374  14.361 1.00 40.82 ? 210 VAL   A CA  1 
ATOM   1661 C C   . VAL   A 1 210 ? 4.014   -9.833  12.987 1.00 40.23 ? 210 VAL   A C   1 
ATOM   1662 O O   . VAL   A 1 210 ? 2.882   -9.557  12.569 1.00 42.04 ? 210 VAL   A O   1 
ATOM   1663 C CB  . VAL   A 1 210 ? 3.871   -10.254 15.476 1.00 39.20 ? 210 VAL   A CB  1 
ATOM   1664 C CG1 . VAL   A 1 210 ? 3.872   -11.725 15.057 1.00 39.87 ? 210 VAL   A CG1 1 
ATOM   1665 C CG2 . VAL   A 1 210 ? 4.661   -10.038 16.765 1.00 44.04 ? 210 VAL   A CG2 1 
ATOM   1666 N N   . LYS   A 1 211 ? 4.915   -10.493 12.272 1.00 41.26 ? 211 LYS   A N   1 
ATOM   1667 C CA  . LYS   A 1 211 ? 4.624   -11.053 10.955 1.00 43.66 ? 211 LYS   A CA  1 
ATOM   1668 C C   . LYS   A 1 211 ? 5.191   -12.466 10.938 1.00 48.51 ? 211 LYS   A C   1 
ATOM   1669 O O   . LYS   A 1 211 ? 6.406   -12.643 10.835 1.00 44.13 ? 211 LYS   A O   1 
ATOM   1670 C CB  . LYS   A 1 211 ? 5.226   -10.198 9.848  1.00 45.58 ? 211 LYS   A CB  1 
ATOM   1671 C CG  . LYS   A 1 211 ? 4.918   -10.680 8.436  1.00 45.69 ? 211 LYS   A CG  1 
ATOM   1672 C CD  . LYS   A 1 211 ? 3.531   -10.313 7.985  1.00 54.23 ? 211 LYS   A CD  1 
ATOM   1673 C CE  . LYS   A 1 211 ? 3.196   -11.031 6.674  1.00 51.65 ? 211 LYS   A CE  1 
ATOM   1674 N NZ  . LYS   A 1 211 ? 1.763   -11.459 6.630  1.00 59.91 ? 211 LYS   A NZ  1 
ATOM   1675 N N   . ASN   A 1 212 ? 4.314   -13.461 11.043 1.00 54.20 ? 212 ASN   A N   1 
ATOM   1676 C CA  . ASN   A 1 212 ? 4.733   -14.856 10.938 1.00 59.63 ? 212 ASN   A CA  1 
ATOM   1677 C C   . ASN   A 1 212 ? 5.140   -15.142 9.509  1.00 59.55 ? 212 ASN   A C   1 
ATOM   1678 O O   . ASN   A 1 212 ? 6.006   -15.970 9.251  1.00 68.65 ? 212 ASN   A O   1 
ATOM   1679 C CB  . ASN   A 1 212 ? 3.616   -15.802 11.362 1.00 55.73 ? 212 ASN   A CB  1 
ATOM   1680 C CG  . ASN   A 1 212 ? 3.142   -15.542 12.775 1.00 70.94 ? 212 ASN   A CG  1 
ATOM   1681 O OD1 . ASN   A 1 212 ? 3.945   -15.294 13.681 1.00 72.21 ? 212 ASN   A OD1 1 
ATOM   1682 N ND2 . ASN   A 1 212 ? 1.824   -15.576 12.972 1.00 71.19 ? 212 ASN   A ND2 1 
ATOM   1683 O OXT . ASN   A 1 212 ? 4.603   -14.535 8.585  1.00 61.31 ? 212 ASN   A OXT 1 
HETATM 1684 C C1  . A1BWS B 2 .   ? 3.022   14.017  16.052 0.73 36.12 ? 301 A1BWS A C1  1 
HETATM 1685 O O1  . A1BWS B 2 .   ? 2.453   13.859  14.974 0.73 34.82 ? 301 A1BWS A O1  1 
HETATM 1686 O O2  . A1BWS B 2 .   ? 3.913   14.895  16.274 0.73 41.79 ? 301 A1BWS A O2  1 
HETATM 1687 C C2  . A1BWS B 2 .   ? 2.657   13.120  17.241 0.73 38.58 ? 301 A1BWS A C2  1 
HETATM 1688 C C3  . A1BWS B 2 .   ? 1.164   13.196  17.535 0.73 43.50 ? 301 A1BWS A C3  1 
HETATM 1689 O O3  . A1BWS B 2 .   ? 0.894   14.470  18.077 0.73 39.01 ? 301 A1BWS A O3  1 
HETATM 1690 C C4  . A1BWS B 2 .   ? 0.582   12.015  18.350 0.73 39.48 ? 301 A1BWS A C4  1 
HETATM 1691 O O4  . A1BWS B 2 .   ? 0.075   11.064  17.767 0.73 37.35 ? 301 A1BWS A O4  1 
HETATM 1692 N N1  . A1BWS B 2 .   ? 0.632   12.091  19.694 0.73 49.65 ? 301 A1BWS A N1  1 
HETATM 1693 C C6  . A1BWS B 2 .   ? 0.085   11.066  20.576 0.73 51.20 ? 301 A1BWS A C6  1 
HETATM 1694 C C7  . A1BWS B 2 .   ? 1.040   10.623  21.665 0.73 38.00 ? 301 A1BWS A C7  1 
HETATM 1695 C C8  . A1BWS B 2 .   ? 2.265   9.835   21.240 0.73 45.34 ? 301 A1BWS A C8  1 
HETATM 1696 C C9  . A1BWS B 2 .   ? 1.829   8.563   20.518 0.73 41.85 ? 301 A1BWS A C9  1 
HETATM 1697 C C10 . A1BWS B 2 .   ? 3.065   9.509   22.494 0.73 40.93 ? 301 A1BWS A C10 1 
HETATM 1698 C C11 . A1BWS B 2 .   ? -1.068  11.722  21.329 0.73 50.17 ? 301 A1BWS A C11 1 
HETATM 1699 O O5  . A1BWS B 2 .   ? -0.852  12.812  21.844 0.73 51.82 ? 301 A1BWS A O5  1 
HETATM 1700 N N2  . A1BWS B 2 .   ? -2.233  11.040  21.383 0.73 45.95 ? 301 A1BWS A N2  1 
HETATM 1701 O O   . HOH   C 3 .   ? -10.591 6.374   -3.337 1.00 33.04 ? 401 HOH   A O   1 
HETATM 1702 O O   . HOH   C 3 .   ? 11.850  17.368  24.275 1.00 34.77 ? 402 HOH   A O   1 
HETATM 1703 O O   . HOH   C 3 .   ? 20.619  22.148  22.304 1.00 44.56 ? 403 HOH   A O   1 
HETATM 1704 O O   . HOH   C 3 .   ? -0.719  1.675   -6.661 1.00 52.15 ? 404 HOH   A O   1 
HETATM 1705 O O   . HOH   C 3 .   ? 0.741   -5.137  13.168 1.00 37.21 ? 405 HOH   A O   1 
HETATM 1706 O O   . HOH   C 3 .   ? 5.526   16.359  15.036 1.00 37.15 ? 406 HOH   A O   1 
HETATM 1707 O O   . HOH   C 3 .   ? 19.339  6.027   29.145 1.00 37.36 ? 407 HOH   A O   1 
HETATM 1708 O O   . HOH   C 3 .   ? 19.585  20.580  19.575 1.00 41.46 ? 408 HOH   A O   1 
HETATM 1709 O O   . HOH   C 3 .   ? -10.093 9.405   14.013 1.00 43.17 ? 409 HOH   A O   1 
HETATM 1710 O O   . HOH   C 3 .   ? 8.741   5.516   6.258  1.00 29.04 ? 410 HOH   A O   1 
HETATM 1711 O O   . HOH   C 3 .   ? 6.883   -0.268  25.909 1.00 34.16 ? 411 HOH   A O   1 
HETATM 1712 O O   . HOH   C 3 .   ? 23.717  16.618  10.433 1.00 44.23 ? 412 HOH   A O   1 
HETATM 1713 O O   . HOH   C 3 .   ? 14.449  21.427  25.242 1.00 38.71 ? 413 HOH   A O   1 
HETATM 1714 O O   . HOH   C 3 .   ? 9.758   -6.582  26.036 1.00 36.81 ? 414 HOH   A O   1 
HETATM 1715 O O   . HOH   C 3 .   ? 11.457  19.856  26.974 1.00 50.08 ? 415 HOH   A O   1 
HETATM 1716 O O   . HOH   C 3 .   ? 6.438   5.495   3.883  1.00 30.91 ? 416 HOH   A O   1 
HETATM 1717 O O   . HOH   C 3 .   ? -7.979  5.672   -5.298 1.00 34.74 ? 417 HOH   A O   1 
HETATM 1718 O O   . HOH   C 3 .   ? 10.900  2.729   6.523  1.00 27.28 ? 418 HOH   A O   1 
HETATM 1719 O O   . HOH   C 3 .   ? 3.294   -5.869  -0.095 1.00 43.07 ? 419 HOH   A O   1 
HETATM 1720 O O   . HOH   C 3 .   ? -4.619  9.418   -0.495 1.00 26.73 ? 420 HOH   A O   1 
HETATM 1721 O O   . HOH   C 3 .   ? 11.578  0.471   8.077  1.00 31.30 ? 421 HOH   A O   1 
HETATM 1722 O O   . HOH   C 3 .   ? 11.735  -0.458  27.049 1.00 31.96 ? 422 HOH   A O   1 
HETATM 1723 O O   . HOH   C 3 .   ? 17.602  10.166  4.821  1.00 41.28 ? 423 HOH   A O   1 
HETATM 1724 O O   . HOH   C 3 .   ? 5.476   17.153  25.512 1.00 37.48 ? 424 HOH   A O   1 
HETATM 1725 O O   . HOH   C 3 .   ? 7.374   9.581   13.192 1.00 29.43 ? 425 HOH   A O   1 
HETATM 1726 O O   . HOH   C 3 .   ? 8.967   4.431   23.643 1.00 33.23 ? 426 HOH   A O   1 
HETATM 1727 O O   . HOH   C 3 .   ? 9.958   0.987   25.645 1.00 36.00 ? 427 HOH   A O   1 
HETATM 1728 O O   . HOH   C 3 .   ? 21.428  9.450   9.056  1.00 33.74 ? 428 HOH   A O   1 
HETATM 1729 O O   . HOH   C 3 .   ? 3.047   -7.388  23.918 1.00 40.00 ? 429 HOH   A O   1 
HETATM 1730 O O   . HOH   C 3 .   ? 17.842  6.732   26.349 1.00 29.18 ? 430 HOH   A O   1 
HETATM 1731 O O   . HOH   C 3 .   ? 10.420  9.308   7.839  1.00 26.81 ? 431 HOH   A O   1 
HETATM 1732 O O   . HOH   C 3 .   ? 12.980  13.745  9.917  1.00 25.84 ? 432 HOH   A O   1 
HETATM 1733 O O   . HOH   C 3 .   ? -8.055  -0.489  6.426  1.00 52.35 ? 433 HOH   A O   1 
HETATM 1734 O O   . HOH   C 3 .   ? 8.686   -3.452  2.769  1.00 38.18 ? 434 HOH   A O   1 
HETATM 1735 O O   . HOH   C 3 .   ? -7.899  -8.430  6.059  1.00 50.47 ? 435 HOH   A O   1 
HETATM 1736 O O   . HOH   C 3 .   ? 6.547   6.388   7.472  1.00 26.33 ? 436 HOH   A O   1 
HETATM 1737 O O   . HOH   C 3 .   ? 14.911  12.699  29.465 1.00 42.33 ? 437 HOH   A O   1 
HETATM 1738 O O   . HOH   C 3 .   ? 24.848  -11.621 20.348 1.00 41.42 ? 438 HOH   A O   1 
HETATM 1739 O O   . HOH   C 3 .   ? 16.989  0.764   3.784  1.00 35.48 ? 439 HOH   A O   1 
HETATM 1740 O O   . HOH   C 3 .   ? -11.593 9.354   8.791  1.00 42.77 ? 440 HOH   A O   1 
HETATM 1741 O O   . HOH   C 3 .   ? -14.103 6.692   7.049  1.00 41.24 ? 441 HOH   A O   1 
HETATM 1742 O O   . HOH   C 3 .   ? 23.758  2.245   14.138 1.00 37.91 ? 442 HOH   A O   1 
HETATM 1743 O O   . HOH   C 3 .   ? 9.678   7.879   -1.198 1.00 38.86 ? 443 HOH   A O   1 
HETATM 1744 O O   . HOH   C 3 .   ? 15.695  9.423   3.151  1.00 32.13 ? 444 HOH   A O   1 
HETATM 1745 O O   . HOH   C 3 .   ? 12.318  24.049  24.861 1.00 42.45 ? 445 HOH   A O   1 
HETATM 1746 O O   . HOH   C 3 .   ? 9.261   -3.966  12.367 1.00 31.20 ? 446 HOH   A O   1 
HETATM 1747 O O   . HOH   C 3 .   ? -7.156  8.412   12.978 1.00 32.01 ? 447 HOH   A O   1 
HETATM 1748 O O   . HOH   C 3 .   ? 16.448  6.631   4.779  1.00 42.96 ? 448 HOH   A O   1 
HETATM 1749 O O   A HOH   C 3 .   ? 19.720  16.823  7.434  0.54 29.09 ? 449 HOH   A O   1 
HETATM 1750 O O   B HOH   C 3 .   ? 20.359  18.766  9.483  0.46 30.58 ? 449 HOH   A O   1 
HETATM 1751 O O   . HOH   C 3 .   ? 21.175  -12.203 20.361 1.00 45.91 ? 450 HOH   A O   1 
HETATM 1752 O O   . HOH   C 3 .   ? 25.866  -1.549  21.642 1.00 35.78 ? 451 HOH   A O   1 
HETATM 1753 O O   . HOH   C 3 .   ? 14.176  19.063  23.809 1.00 31.73 ? 452 HOH   A O   1 
HETATM 1754 O O   . HOH   C 3 .   ? -1.904  -1.002  -2.495 1.00 31.35 ? 453 HOH   A O   1 
HETATM 1755 O O   . HOH   C 3 .   ? 16.569  0.488   31.330 1.00 38.95 ? 454 HOH   A O   1 
HETATM 1756 O O   . HOH   C 3 .   ? 4.931   3.386   20.275 1.00 35.22 ? 455 HOH   A O   1 
HETATM 1757 O O   . HOH   C 3 .   ? 22.047  16.935  22.952 1.00 33.54 ? 456 HOH   A O   1 
HETATM 1758 O O   . HOH   C 3 .   ? 19.484  3.737   30.485 1.00 48.49 ? 457 HOH   A O   1 
HETATM 1759 O O   . HOH   C 3 .   ? 27.722  13.803  19.588 1.00 43.30 ? 458 HOH   A O   1 
HETATM 1760 O O   . HOH   C 3 .   ? -7.062  0.332   15.677 1.00 51.54 ? 459 HOH   A O   1 
HETATM 1761 O O   . HOH   C 3 .   ? -7.386  16.634  9.302  1.00 30.64 ? 460 HOH   A O   1 
HETATM 1762 O O   . HOH   C 3 .   ? 2.540   9.853   -0.648 1.00 28.66 ? 461 HOH   A O   1 
HETATM 1763 O O   . HOH   C 3 .   ? 6.490   0.755   -2.629 1.00 49.72 ? 462 HOH   A O   1 
HETATM 1764 O O   . HOH   C 3 .   ? 12.136  15.617  3.155  1.00 31.52 ? 463 HOH   A O   1 
HETATM 1765 O O   . HOH   C 3 .   ? 0.431   7.728   2.865  1.00 27.72 ? 464 HOH   A O   1 
HETATM 1766 O O   . HOH   C 3 .   ? -7.161  -7.663  0.808  1.00 45.13 ? 465 HOH   A O   1 
HETATM 1767 O O   . HOH   C 3 .   ? 19.150  10.503  31.055 1.00 44.20 ? 466 HOH   A O   1 
HETATM 1768 O O   . HOH   C 3 .   ? 6.388   -7.780  -0.111 1.00 51.13 ? 467 HOH   A O   1 
HETATM 1769 O O   . HOH   C 3 .   ? 7.874   13.264  2.475  1.00 39.77 ? 468 HOH   A O   1 
HETATM 1770 O O   . HOH   C 3 .   ? 2.849   4.337   21.891 1.00 39.12 ? 469 HOH   A O   1 
HETATM 1771 O O   . HOH   C 3 .   ? -7.646  15.217  11.736 1.00 33.36 ? 470 HOH   A O   1 
HETATM 1772 O O   . HOH   C 3 .   ? 4.267   2.525   -2.600 1.00 38.54 ? 471 HOH   A O   1 
HETATM 1773 O O   . HOH   C 3 .   ? 24.167  6.701   11.775 1.00 49.37 ? 472 HOH   A O   1 
HETATM 1774 O O   . HOH   C 3 .   ? 8.900   7.638   11.974 1.00 32.61 ? 473 HOH   A O   1 
HETATM 1775 O O   . HOH   C 3 .   ? 29.004  -6.948  17.503 1.00 37.20 ? 474 HOH   A O   1 
HETATM 1776 O O   . HOH   C 3 .   ? 29.393  9.592   17.436 1.00 55.30 ? 475 HOH   A O   1 
HETATM 1777 O O   . HOH   C 3 .   ? 8.467   7.954   9.124  1.00 29.70 ? 476 HOH   A O   1 
# 
