data_9NB4
# 
_entry.id   9NB4 
# 
_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   9NB4         pdb_00009nb4 10.2210/pdb9nb4/pdb 
WWPDB D_1000292963 ?            ?                   
# 
_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                        9NB4 
_pdbx_database_status.recvd_initial_deposition_date   2025-02-13 
_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 'MicroED structure of the same protein in apo-form'                       9NAG unspecified 
PDB 'MicroED structure of the same protein co-crystallized with E-64-A65'     9NAO unspecified 
PDB 'MicroED structure of the same protein complexed with a different ligand' 9NAE 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-({(1S)-2-[(8-aminooctyl)amino]-1-cyclobutyl-2-oxoethyl}amino)-3-hydroxy-4-oxobutanoic acid' 371.472   1  
?        ? ? ? 
3 water       nat water                                                                                               18.015    92 
?        ? ? ? 
# 
_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-({(1S)-2-[(8-aminooctyl)amino]-1-cyclobutyl-2-oxoethyl}amino)-3-hydroxy-4-oxobutanoic acid' A1AXI 
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 
A1AXI non-polymer         . '(3S)-4-({(1S)-2-[(8-aminooctyl)amino]-1-cyclobutyl-2-oxoethyl}amino)-3-hydroxy-4-oxobutanoic acid' ? 
'C18 H33 N3 O5'  371.472 
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 A1AXI 1  301 301 A1AXI A65 A . 
C 3 HOH   1  401 34  HOH   HOH A . 
C 3 HOH   2  402 40  HOH   HOH A . 
C 3 HOH   3  403 72  HOH   HOH A . 
C 3 HOH   4  404 98  HOH   HOH A . 
C 3 HOH   5  405 15  HOH   HOH A . 
C 3 HOH   6  406 44  HOH   HOH A . 
C 3 HOH   7  407 14  HOH   HOH A . 
C 3 HOH   8  408 80  HOH   HOH A . 
C 3 HOH   9  409 32  HOH   HOH A . 
C 3 HOH   10 410 25  HOH   HOH A . 
C 3 HOH   11 411 48  HOH   HOH A . 
C 3 HOH   12 412 71  HOH   HOH A . 
C 3 HOH   13 413 27  HOH   HOH A . 
C 3 HOH   14 414 64  HOH   HOH A . 
C 3 HOH   15 415 79  HOH   HOH A . 
C 3 HOH   16 416 43  HOH   HOH A . 
C 3 HOH   17 417 5   HOH   HOH A . 
C 3 HOH   18 418 16  HOH   HOH A . 
C 3 HOH   19 419 9   HOH   HOH A . 
C 3 HOH   20 420 18  HOH   HOH A . 
C 3 HOH   21 421 88  HOH   HOH A . 
C 3 HOH   22 422 13  HOH   HOH A . 
C 3 HOH   23 423 50  HOH   HOH A . 
C 3 HOH   24 424 77  HOH   HOH A . 
C 3 HOH   25 425 6   HOH   HOH A . 
C 3 HOH   26 426 35  HOH   HOH A . 
C 3 HOH   27 427 21  HOH   HOH A . 
C 3 HOH   28 428 2   HOH   HOH A . 
C 3 HOH   29 429 4   HOH   HOH A . 
C 3 HOH   30 430 46  HOH   HOH A . 
C 3 HOH   31 431 30  HOH   HOH A . 
C 3 HOH   32 432 31  HOH   HOH A . 
C 3 HOH   33 433 1   HOH   HOH A . 
C 3 HOH   34 434 89  HOH   HOH A . 
C 3 HOH   35 435 61  HOH   HOH A . 
C 3 HOH   36 436 33  HOH   HOH A . 
C 3 HOH   37 437 45  HOH   HOH A . 
C 3 HOH   38 438 69  HOH   HOH A . 
C 3 HOH   39 439 37  HOH   HOH A . 
C 3 HOH   40 440 63  HOH   HOH A . 
C 3 HOH   41 441 57  HOH   HOH A . 
C 3 HOH   42 442 96  HOH   HOH A . 
C 3 HOH   43 443 74  HOH   HOH A . 
C 3 HOH   44 444 29  HOH   HOH A . 
C 3 HOH   45 445 7   HOH   HOH A . 
C 3 HOH   46 446 22  HOH   HOH A . 
C 3 HOH   47 447 67  HOH   HOH A . 
C 3 HOH   48 448 91  HOH   HOH A . 
C 3 HOH   49 449 3   HOH   HOH A . 
C 3 HOH   50 450 38  HOH   HOH A . 
C 3 HOH   51 451 28  HOH   HOH A . 
C 3 HOH   52 452 58  HOH   HOH A . 
C 3 HOH   53 453 85  HOH   HOH A . 
C 3 HOH   54 454 70  HOH   HOH A . 
C 3 HOH   55 455 55  HOH   HOH A . 
C 3 HOH   56 456 83  HOH   HOH A . 
C 3 HOH   57 457 36  HOH   HOH A . 
C 3 HOH   58 458 93  HOH   HOH A . 
C 3 HOH   59 459 60  HOH   HOH A . 
C 3 HOH   60 460 26  HOH   HOH A . 
C 3 HOH   61 461 78  HOH   HOH A . 
C 3 HOH   62 462 49  HOH   HOH A . 
C 3 HOH   63 463 62  HOH   HOH A . 
C 3 HOH   64 464 59  HOH   HOH A . 
C 3 HOH   65 465 12  HOH   HOH A . 
C 3 HOH   66 466 92  HOH   HOH A . 
C 3 HOH   67 467 17  HOH   HOH A . 
C 3 HOH   68 468 65  HOH   HOH A . 
C 3 HOH   69 469 41  HOH   HOH A . 
C 3 HOH   70 470 76  HOH   HOH A . 
C 3 HOH   71 471 56  HOH   HOH A . 
C 3 HOH   72 472 54  HOH   HOH A . 
C 3 HOH   73 473 8   HOH   HOH A . 
C 3 HOH   74 474 23  HOH   HOH A . 
C 3 HOH   75 475 66  HOH   HOH A . 
C 3 HOH   76 476 42  HOH   HOH A . 
C 3 HOH   77 477 84  HOH   HOH A . 
C 3 HOH   78 478 24  HOH   HOH A . 
C 3 HOH   79 479 51  HOH   HOH A . 
C 3 HOH   80 480 53  HOH   HOH A . 
C 3 HOH   81 481 90  HOH   HOH A . 
C 3 HOH   82 482 97  HOH   HOH A . 
C 3 HOH   83 483 87  HOH   HOH A . 
C 3 HOH   84 484 95  HOH   HOH A . 
C 3 HOH   85 485 39  HOH   HOH A . 
C 3 HOH   86 486 73  HOH   HOH A . 
C 3 HOH   87 487 86  HOH   HOH A . 
C 3 HOH   88 488 94  HOH   HOH A . 
C 3 HOH   89 489 81  HOH   HOH A . 
C 3 HOH   90 490 82  HOH   HOH A . 
C 3 HOH   91 491 68  HOH   HOH A . 
C 3 HOH   92 492 52  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                     9NB4 
_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                         9NB4 
_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                   9NB4 
_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, 59% 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                                       9NB4 
_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                                332.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          4.9 
_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                                   0.951 
_reflns.pdbx_CC_star                                   0.987 
_reflns.pdbx_R_split                                   0.186 
_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                           ? 
_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                               235.02 
_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                                  0.422 
_reflns_shell.pdbx_CC_star                                  0.770 
_reflns_shell.pdbx_R_split                                  0.796 
_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                                 9NB4 
_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                     20272 
_refine.ls_number_reflns_R_free                  1014 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.92 
_refine.ls_percent_reflns_R_free                 5.00 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1688 
_refine.ls_R_factor_R_free                       0.2096 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1667 
_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                          1.34 
_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                 21.04 
_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                            0.18 
_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             92 
_refine_hist.number_atoms_total               1773 
_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         26 
_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' ? 0.007 ? 1800 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.965 ? 2453 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 7.097 ? 277  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.063 ? 243  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.008 ? 325  ? 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  . . 142 2694 100.00 . . . . 0.2500 . . . . . . . . . . . . . . . 0.2741 
'X-RAY DIFFRACTION' 1.90 2.01  . . 143 2716 100.00 . . . . 0.2135 . . . . . . . . . . . . . . . 0.2656 
'X-RAY DIFFRACTION' 2.01 2.17  . . 142 2696 100.00 . . . . 0.1813 . . . . . . . . . . . . . . . 0.2466 
'X-RAY DIFFRACTION' 2.17 2.39  . . 143 2734 100.00 . . . . 0.1721 . . . . . . . . . . . . . . . 0.2172 
'X-RAY DIFFRACTION' 2.39 2.73  . . 145 2742 100.00 . . . . 0.1843 . . . . . . . . . . . . . . . 0.2201 
'X-RAY DIFFRACTION' 2.73 3.44  . . 146 2773 100.00 . . . . 0.1684 . . . . . . . . . . . . . . . 0.2050 
'X-RAY DIFFRACTION' 3.44 44.05 . . 153 2903 100.00 . . . . 0.1415 . . . . . . . . . . . . . . . 0.1837 
# 
_struct.entry_id                     9NB4 
_struct.title                        
'Serial synchrotron X-ray diffraction structure of papain microcrystals soaked with natural product E-64-A65' 
_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        9NB4 
_struct_keywords.text            'Inhibitor, Complex, Enzyme, 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              9NB4 
_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 ? ? ? ? ? ? ? 2.023 ? ? 
disulf2 disulf ?    ? A CYS 56  SG ? ? ? 1_555 A CYS   95  SG ? ? A CYS 56  A CYS   95  1_555 ? ? ? ? ? ? ? 2.055 ? ? 
disulf3 disulf ?    ? A CYS 153 SG ? ? ? 1_555 A CYS   200 SG ? ? A CYS 153 A CYS   200 1_555 ? ? ? ? ? ? ? 2.035 ? ? 
covale1 covale none ? A CYS 25  SG ? ? ? 1_555 B A1AXI .   C2 ? ? A CYS 25  A A1AXI 301 1_555 ? ? ? ? ? ? ? 1.788 ? ? 
# 
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 A1AXI B .   ? CYS A 25  ? A1AXI A 301 ? 1_555 CYS A 25  ? 1_555 C2 SG CYS 1 A1AXI 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       1.62 
# 
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 ALA A 163 ? O ALA A 163 N VAL A 130 ? N VAL A 130 
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                   9NB4 
_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 ARG A 93 ? ? -126.76 -167.35 
2 1 ARG A 93 ? ? -126.76 -167.11 
# 
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 
A1AXI N1   N N N 1   
A1AXI N3   N N N 2   
A1AXI C4   C N N 3   
A1AXI C5   C N S 4   
A1AXI C6   C N N 5   
A1AXI C7   C N N 6   
A1AXI C8   C N N 7   
A1AXI C10  C N N 8   
A1AXI C13  C N N 9   
A1AXI C15  C N N 10  
A1AXI C17  C N N 11  
A1AXI C1   C N N 12  
A1AXI C11  C N N 13  
A1AXI C12  C N N 14  
A1AXI C14  C N N 15  
A1AXI C16  C N N 16  
A1AXI C18  C N N 17  
A1AXI C2   C N N 18  
A1AXI C3   C N S 19  
A1AXI C9   C N N 20  
A1AXI N2   N N N 21  
A1AXI O1   O N N 22  
A1AXI O2   O N N 23  
A1AXI O3   O N N 24  
A1AXI O4   O N N 25  
A1AXI O5   O N N 26  
A1AXI H1   H N N 27  
A1AXI H2   H N N 28  
A1AXI H3   H N N 29  
A1AXI H5   H N N 30  
A1AXI H6   H N N 31  
A1AXI H7   H N N 32  
A1AXI H8   H N N 33  
A1AXI H9   H N N 34  
A1AXI H10  H N N 35  
A1AXI H11  H N N 36  
A1AXI H12  H N N 37  
A1AXI H13  H N N 38  
A1AXI H14  H N N 39  
A1AXI H15  H N N 40  
A1AXI H16  H N N 41  
A1AXI H17  H N N 42  
A1AXI H18  H N N 43  
A1AXI H19  H N N 44  
A1AXI H20  H N N 45  
A1AXI H21  H N N 46  
A1AXI H22  H N N 47  
A1AXI H23  H N N 48  
A1AXI H24  H N N 49  
A1AXI H25  H N N 50  
A1AXI H26  H N N 51  
A1AXI H27  H N N 52  
A1AXI H28  H N N 53  
A1AXI H29  H N N 54  
A1AXI H30  H N N 55  
A1AXI H31  H N N 56  
A1AXI H32  H N N 57  
A1AXI H33  H N N 58  
A1AXI H34  H N N 59  
ALA   N    N N N 60  
ALA   CA   C N S 61  
ALA   C    C N N 62  
ALA   O    O N N 63  
ALA   CB   C N N 64  
ALA   OXT  O N N 65  
ALA   H    H N N 66  
ALA   H2   H N N 67  
ALA   HA   H N N 68  
ALA   HB1  H N N 69  
ALA   HB2  H N N 70  
ALA   HB3  H N N 71  
ALA   HXT  H N N 72  
ARG   N    N N N 73  
ARG   CA   C N S 74  
ARG   C    C N N 75  
ARG   O    O N N 76  
ARG   CB   C N N 77  
ARG   CG   C N N 78  
ARG   CD   C N N 79  
ARG   NE   N N N 80  
ARG   CZ   C N N 81  
ARG   NH1  N N N 82  
ARG   NH2  N N N 83  
ARG   OXT  O N N 84  
ARG   H    H N N 85  
ARG   H2   H N N 86  
ARG   HA   H N N 87  
ARG   HB2  H N N 88  
ARG   HB3  H N N 89  
ARG   HG2  H N N 90  
ARG   HG3  H N N 91  
ARG   HD2  H N N 92  
ARG   HD3  H N N 93  
ARG   HE   H N N 94  
ARG   HH11 H N N 95  
ARG   HH12 H N N 96  
ARG   HH21 H N N 97  
ARG   HH22 H N N 98  
ARG   HXT  H N N 99  
ASN   N    N N N 100 
ASN   CA   C N S 101 
ASN   C    C N N 102 
ASN   O    O N N 103 
ASN   CB   C N N 104 
ASN   CG   C N N 105 
ASN   OD1  O N N 106 
ASN   ND2  N N N 107 
ASN   OXT  O N N 108 
ASN   H    H N N 109 
ASN   H2   H N N 110 
ASN   HA   H N N 111 
ASN   HB2  H N N 112 
ASN   HB3  H N N 113 
ASN   HD21 H N N 114 
ASN   HD22 H N N 115 
ASN   HXT  H N N 116 
ASP   N    N N N 117 
ASP   CA   C N S 118 
ASP   C    C N N 119 
ASP   O    O N N 120 
ASP   CB   C N N 121 
ASP   CG   C N N 122 
ASP   OD1  O N N 123 
ASP   OD2  O N N 124 
ASP   OXT  O N N 125 
ASP   H    H N N 126 
ASP   H2   H N N 127 
ASP   HA   H N N 128 
ASP   HB2  H N N 129 
ASP   HB3  H N N 130 
ASP   HD2  H N N 131 
ASP   HXT  H N N 132 
CYS   N    N N N 133 
CYS   CA   C N R 134 
CYS   C    C N N 135 
CYS   O    O N N 136 
CYS   CB   C N N 137 
CYS   SG   S N N 138 
CYS   OXT  O N N 139 
CYS   H    H N N 140 
CYS   H2   H N N 141 
CYS   HA   H N N 142 
CYS   HB2  H N N 143 
CYS   HB3  H N N 144 
CYS   HG   H N N 145 
CYS   HXT  H N N 146 
GLN   N    N N N 147 
GLN   CA   C N S 148 
GLN   C    C N N 149 
GLN   O    O N N 150 
GLN   CB   C N N 151 
GLN   CG   C N N 152 
GLN   CD   C N N 153 
GLN   OE1  O N N 154 
GLN   NE2  N N N 155 
GLN   OXT  O N N 156 
GLN   H    H N N 157 
GLN   H2   H N N 158 
GLN   HA   H N N 159 
GLN   HB2  H N N 160 
GLN   HB3  H N N 161 
GLN   HG2  H N N 162 
GLN   HG3  H N N 163 
GLN   HE21 H N N 164 
GLN   HE22 H N N 165 
GLN   HXT  H N N 166 
GLU   N    N N N 167 
GLU   CA   C N S 168 
GLU   C    C N N 169 
GLU   O    O N N 170 
GLU   CB   C N N 171 
GLU   CG   C N N 172 
GLU   CD   C N N 173 
GLU   OE1  O N N 174 
GLU   OE2  O N N 175 
GLU   OXT  O N N 176 
GLU   H    H N N 177 
GLU   H2   H N N 178 
GLU   HA   H N N 179 
GLU   HB2  H N N 180 
GLU   HB3  H N N 181 
GLU   HG2  H N N 182 
GLU   HG3  H N N 183 
GLU   HE2  H N N 184 
GLU   HXT  H N N 185 
GLY   N    N N N 186 
GLY   CA   C N N 187 
GLY   C    C N N 188 
GLY   O    O N N 189 
GLY   OXT  O N N 190 
GLY   H    H N N 191 
GLY   H2   H N N 192 
GLY   HA2  H N N 193 
GLY   HA3  H N N 194 
GLY   HXT  H N N 195 
HIS   N    N N N 196 
HIS   CA   C N S 197 
HIS   C    C N N 198 
HIS   O    O N N 199 
HIS   CB   C N N 200 
HIS   CG   C Y N 201 
HIS   ND1  N Y N 202 
HIS   CD2  C Y N 203 
HIS   CE1  C Y N 204 
HIS   NE2  N Y N 205 
HIS   OXT  O N N 206 
HIS   H    H N N 207 
HIS   H2   H N N 208 
HIS   HA   H N N 209 
HIS   HB2  H N N 210 
HIS   HB3  H N N 211 
HIS   HD1  H N N 212 
HIS   HD2  H N N 213 
HIS   HE1  H N N 214 
HIS   HE2  H N N 215 
HIS   HXT  H N N 216 
HOH   O    O N N 217 
HOH   H1   H N N 218 
HOH   H2   H N N 219 
ILE   N    N N N 220 
ILE   CA   C N S 221 
ILE   C    C N N 222 
ILE   O    O N N 223 
ILE   CB   C N S 224 
ILE   CG1  C N N 225 
ILE   CG2  C N N 226 
ILE   CD1  C N N 227 
ILE   OXT  O N N 228 
ILE   H    H N N 229 
ILE   H2   H N N 230 
ILE   HA   H N N 231 
ILE   HB   H N N 232 
ILE   HG12 H N N 233 
ILE   HG13 H N N 234 
ILE   HG21 H N N 235 
ILE   HG22 H N N 236 
ILE   HG23 H N N 237 
ILE   HD11 H N N 238 
ILE   HD12 H N N 239 
ILE   HD13 H N N 240 
ILE   HXT  H N N 241 
LEU   N    N N N 242 
LEU   CA   C N S 243 
LEU   C    C N N 244 
LEU   O    O N N 245 
LEU   CB   C N N 246 
LEU   CG   C N N 247 
LEU   CD1  C N N 248 
LEU   CD2  C N N 249 
LEU   OXT  O N N 250 
LEU   H    H N N 251 
LEU   H2   H N N 252 
LEU   HA   H N N 253 
LEU   HB2  H N N 254 
LEU   HB3  H N N 255 
LEU   HG   H N N 256 
LEU   HD11 H N N 257 
LEU   HD12 H N N 258 
LEU   HD13 H N N 259 
LEU   HD21 H N N 260 
LEU   HD22 H N N 261 
LEU   HD23 H N N 262 
LEU   HXT  H N N 263 
LYS   N    N N N 264 
LYS   CA   C N S 265 
LYS   C    C N N 266 
LYS   O    O N N 267 
LYS   CB   C N N 268 
LYS   CG   C N N 269 
LYS   CD   C N N 270 
LYS   CE   C N N 271 
LYS   NZ   N N N 272 
LYS   OXT  O N N 273 
LYS   H    H N N 274 
LYS   H2   H N N 275 
LYS   HA   H N N 276 
LYS   HB2  H N N 277 
LYS   HB3  H N N 278 
LYS   HG2  H N N 279 
LYS   HG3  H N N 280 
LYS   HD2  H N N 281 
LYS   HD3  H N N 282 
LYS   HE2  H N N 283 
LYS   HE3  H N N 284 
LYS   HZ1  H N N 285 
LYS   HZ2  H N N 286 
LYS   HZ3  H N N 287 
LYS   HXT  H N N 288 
PHE   N    N N N 289 
PHE   CA   C N S 290 
PHE   C    C N N 291 
PHE   O    O N N 292 
PHE   CB   C N N 293 
PHE   CG   C Y N 294 
PHE   CD1  C Y N 295 
PHE   CD2  C Y N 296 
PHE   CE1  C Y N 297 
PHE   CE2  C Y N 298 
PHE   CZ   C Y N 299 
PHE   OXT  O N N 300 
PHE   H    H N N 301 
PHE   H2   H N N 302 
PHE   HA   H N N 303 
PHE   HB2  H N N 304 
PHE   HB3  H N N 305 
PHE   HD1  H N N 306 
PHE   HD2  H N N 307 
PHE   HE1  H N N 308 
PHE   HE2  H N N 309 
PHE   HZ   H N N 310 
PHE   HXT  H N N 311 
PRO   N    N N N 312 
PRO   CA   C N S 313 
PRO   C    C N N 314 
PRO   O    O N N 315 
PRO   CB   C N N 316 
PRO   CG   C N N 317 
PRO   CD   C N N 318 
PRO   OXT  O N N 319 
PRO   H    H N N 320 
PRO   HA   H N N 321 
PRO   HB2  H N N 322 
PRO   HB3  H N N 323 
PRO   HG2  H N N 324 
PRO   HG3  H N N 325 
PRO   HD2  H N N 326 
PRO   HD3  H N N 327 
PRO   HXT  H N N 328 
SER   N    N N N 329 
SER   CA   C N S 330 
SER   C    C N N 331 
SER   O    O N N 332 
SER   CB   C N N 333 
SER   OG   O N N 334 
SER   OXT  O N N 335 
SER   H    H N N 336 
SER   H2   H N N 337 
SER   HA   H N N 338 
SER   HB2  H N N 339 
SER   HB3  H N N 340 
SER   HG   H N N 341 
SER   HXT  H N N 342 
THR   N    N N N 343 
THR   CA   C N S 344 
THR   C    C N N 345 
THR   O    O N N 346 
THR   CB   C N R 347 
THR   OG1  O N N 348 
THR   CG2  C N N 349 
THR   OXT  O N N 350 
THR   H    H N N 351 
THR   H2   H N N 352 
THR   HA   H N N 353 
THR   HB   H N N 354 
THR   HG1  H N N 355 
THR   HG21 H N N 356 
THR   HG22 H N N 357 
THR   HG23 H N N 358 
THR   HXT  H N N 359 
TRP   N    N N N 360 
TRP   CA   C N S 361 
TRP   C    C N N 362 
TRP   O    O N N 363 
TRP   CB   C N N 364 
TRP   CG   C Y N 365 
TRP   CD1  C Y N 366 
TRP   CD2  C Y N 367 
TRP   NE1  N Y N 368 
TRP   CE2  C Y N 369 
TRP   CE3  C Y N 370 
TRP   CZ2  C Y N 371 
TRP   CZ3  C Y N 372 
TRP   CH2  C Y N 373 
TRP   OXT  O N N 374 
TRP   H    H N N 375 
TRP   H2   H N N 376 
TRP   HA   H N N 377 
TRP   HB2  H N N 378 
TRP   HB3  H N N 379 
TRP   HD1  H N N 380 
TRP   HE1  H N N 381 
TRP   HE3  H N N 382 
TRP   HZ2  H N N 383 
TRP   HZ3  H N N 384 
TRP   HH2  H N N 385 
TRP   HXT  H N N 386 
TYR   N    N N N 387 
TYR   CA   C N S 388 
TYR   C    C N N 389 
TYR   O    O N N 390 
TYR   CB   C N N 391 
TYR   CG   C Y N 392 
TYR   CD1  C Y N 393 
TYR   CD2  C Y N 394 
TYR   CE1  C Y N 395 
TYR   CE2  C Y N 396 
TYR   CZ   C Y N 397 
TYR   OH   O N N 398 
TYR   OXT  O N N 399 
TYR   H    H N N 400 
TYR   H2   H N N 401 
TYR   HA   H N N 402 
TYR   HB2  H N N 403 
TYR   HB3  H N N 404 
TYR   HD1  H N N 405 
TYR   HD2  H N N 406 
TYR   HE1  H N N 407 
TYR   HE2  H N N 408 
TYR   HH   H N N 409 
TYR   HXT  H N N 410 
VAL   N    N N N 411 
VAL   CA   C N S 412 
VAL   C    C N N 413 
VAL   O    O N N 414 
VAL   CB   C N N 415 
VAL   CG1  C N N 416 
VAL   CG2  C N N 417 
VAL   OXT  O N N 418 
VAL   H    H N N 419 
VAL   H2   H N N 420 
VAL   HA   H N N 421 
VAL   HB   H N N 422 
VAL   HG11 H N N 423 
VAL   HG12 H N N 424 
VAL   HG13 H N N 425 
VAL   HG21 H N N 426 
VAL   HG22 H N N 427 
VAL   HG23 H N N 428 
VAL   HXT  H N N 429 
# 
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 
A1AXI O2  C1   doub N N 1   
A1AXI C1  O1   sing N N 2   
A1AXI C1  C2   sing N N 3   
A1AXI C2  C3   sing N N 4   
A1AXI C3  O3   sing N N 5   
A1AXI C3  C4   sing N N 6   
A1AXI O4  C4   doub N N 7   
A1AXI C4  N1   sing N N 8   
A1AXI N1  C5   sing N N 9   
A1AXI C5  C10  sing N N 10  
A1AXI C5  C6   sing N N 11  
A1AXI C8  C7   sing N N 12  
A1AXI C8  C9   sing N N 13  
A1AXI C7  C6   sing N N 14  
A1AXI C16 C17  sing N N 15  
A1AXI C16 C15  sing N N 16  
A1AXI N2  C10  sing N N 17  
A1AXI N2  C11  sing N N 18  
A1AXI C12 C11  sing N N 19  
A1AXI C12 C13  sing N N 20  
A1AXI C14 C13  sing N N 21  
A1AXI C14 C15  sing N N 22  
A1AXI C10 O5   doub N N 23  
A1AXI C6  C9   sing N N 24  
A1AXI C17 C18  sing N N 25  
A1AXI C18 N3   sing N N 26  
A1AXI N1  H1   sing N N 27  
A1AXI N3  H2   sing N N 28  
A1AXI N3  H3   sing N N 29  
A1AXI C5  H5   sing N N 30  
A1AXI C6  H6   sing N N 31  
A1AXI C7  H7   sing N N 32  
A1AXI C7  H8   sing N N 33  
A1AXI C8  H9   sing N N 34  
A1AXI C8  H10  sing N N 35  
A1AXI C13 H11  sing N N 36  
A1AXI C13 H12  sing N N 37  
A1AXI C15 H13  sing N N 38  
A1AXI C15 H14  sing N N 39  
A1AXI C17 H15  sing N N 40  
A1AXI C17 H16  sing N N 41  
A1AXI C11 H17  sing N N 42  
A1AXI C11 H18  sing N N 43  
A1AXI C12 H19  sing N N 44  
A1AXI C12 H20  sing N N 45  
A1AXI C14 H21  sing N N 46  
A1AXI C14 H22  sing N N 47  
A1AXI C16 H23  sing N N 48  
A1AXI C16 H24  sing N N 49  
A1AXI C18 H25  sing N N 50  
A1AXI C18 H26  sing N N 51  
A1AXI C2  H27  sing N N 52  
A1AXI C2  H28  sing N N 53  
A1AXI C3  H29  sing N N 54  
A1AXI C9  H30  sing N N 55  
A1AXI C9  H31  sing N N 56  
A1AXI N2  H32  sing N N 57  
A1AXI O1  H33  sing N N 58  
A1AXI O3  H34  sing N N 59  
ALA   N   CA   sing N N 60  
ALA   N   H    sing N N 61  
ALA   N   H2   sing N N 62  
ALA   CA  C    sing N N 63  
ALA   CA  CB   sing N N 64  
ALA   CA  HA   sing N N 65  
ALA   C   O    doub N N 66  
ALA   C   OXT  sing N N 67  
ALA   CB  HB1  sing N N 68  
ALA   CB  HB2  sing N N 69  
ALA   CB  HB3  sing N N 70  
ALA   OXT HXT  sing N N 71  
ARG   N   CA   sing N N 72  
ARG   N   H    sing N N 73  
ARG   N   H2   sing N N 74  
ARG   CA  C    sing N N 75  
ARG   CA  CB   sing N N 76  
ARG   CA  HA   sing N N 77  
ARG   C   O    doub N N 78  
ARG   C   OXT  sing N N 79  
ARG   CB  CG   sing N N 80  
ARG   CB  HB2  sing N N 81  
ARG   CB  HB3  sing N N 82  
ARG   CG  CD   sing N N 83  
ARG   CG  HG2  sing N N 84  
ARG   CG  HG3  sing N N 85  
ARG   CD  NE   sing N N 86  
ARG   CD  HD2  sing N N 87  
ARG   CD  HD3  sing N N 88  
ARG   NE  CZ   sing N N 89  
ARG   NE  HE   sing N N 90  
ARG   CZ  NH1  sing N N 91  
ARG   CZ  NH2  doub N N 92  
ARG   NH1 HH11 sing N N 93  
ARG   NH1 HH12 sing N N 94  
ARG   NH2 HH21 sing N N 95  
ARG   NH2 HH22 sing N N 96  
ARG   OXT HXT  sing N N 97  
ASN   N   CA   sing N N 98  
ASN   N   H    sing N N 99  
ASN   N   H2   sing N N 100 
ASN   CA  C    sing N N 101 
ASN   CA  CB   sing N N 102 
ASN   CA  HA   sing N N 103 
ASN   C   O    doub N N 104 
ASN   C   OXT  sing N N 105 
ASN   CB  CG   sing N N 106 
ASN   CB  HB2  sing N N 107 
ASN   CB  HB3  sing N N 108 
ASN   CG  OD1  doub N N 109 
ASN   CG  ND2  sing N N 110 
ASN   ND2 HD21 sing N N 111 
ASN   ND2 HD22 sing N N 112 
ASN   OXT HXT  sing N N 113 
ASP   N   CA   sing N N 114 
ASP   N   H    sing N N 115 
ASP   N   H2   sing N N 116 
ASP   CA  C    sing N N 117 
ASP   CA  CB   sing N N 118 
ASP   CA  HA   sing N N 119 
ASP   C   O    doub N N 120 
ASP   C   OXT  sing N N 121 
ASP   CB  CG   sing N N 122 
ASP   CB  HB2  sing N N 123 
ASP   CB  HB3  sing N N 124 
ASP   CG  OD1  doub N N 125 
ASP   CG  OD2  sing N N 126 
ASP   OD2 HD2  sing N N 127 
ASP   OXT HXT  sing N N 128 
CYS   N   CA   sing N N 129 
CYS   N   H    sing N N 130 
CYS   N   H2   sing N N 131 
CYS   CA  C    sing N N 132 
CYS   CA  CB   sing N N 133 
CYS   CA  HA   sing N N 134 
CYS   C   O    doub N N 135 
CYS   C   OXT  sing N N 136 
CYS   CB  SG   sing N N 137 
CYS   CB  HB2  sing N N 138 
CYS   CB  HB3  sing N N 139 
CYS   SG  HG   sing N N 140 
CYS   OXT HXT  sing N N 141 
GLN   N   CA   sing N N 142 
GLN   N   H    sing N N 143 
GLN   N   H2   sing N N 144 
GLN   CA  C    sing N N 145 
GLN   CA  CB   sing N N 146 
GLN   CA  HA   sing N N 147 
GLN   C   O    doub N N 148 
GLN   C   OXT  sing N N 149 
GLN   CB  CG   sing N N 150 
GLN   CB  HB2  sing N N 151 
GLN   CB  HB3  sing N N 152 
GLN   CG  CD   sing N N 153 
GLN   CG  HG2  sing N N 154 
GLN   CG  HG3  sing N N 155 
GLN   CD  OE1  doub N N 156 
GLN   CD  NE2  sing N N 157 
GLN   NE2 HE21 sing N N 158 
GLN   NE2 HE22 sing N N 159 
GLN   OXT HXT  sing N N 160 
GLU   N   CA   sing N N 161 
GLU   N   H    sing N N 162 
GLU   N   H2   sing N N 163 
GLU   CA  C    sing N N 164 
GLU   CA  CB   sing N N 165 
GLU   CA  HA   sing N N 166 
GLU   C   O    doub N N 167 
GLU   C   OXT  sing N N 168 
GLU   CB  CG   sing N N 169 
GLU   CB  HB2  sing N N 170 
GLU   CB  HB3  sing N N 171 
GLU   CG  CD   sing N N 172 
GLU   CG  HG2  sing N N 173 
GLU   CG  HG3  sing N N 174 
GLU   CD  OE1  doub N N 175 
GLU   CD  OE2  sing N N 176 
GLU   OE2 HE2  sing N N 177 
GLU   OXT HXT  sing N N 178 
GLY   N   CA   sing N N 179 
GLY   N   H    sing N N 180 
GLY   N   H2   sing N N 181 
GLY   CA  C    sing N N 182 
GLY   CA  HA2  sing N N 183 
GLY   CA  HA3  sing N N 184 
GLY   C   O    doub N N 185 
GLY   C   OXT  sing N N 186 
GLY   OXT HXT  sing N N 187 
HIS   N   CA   sing N N 188 
HIS   N   H    sing N N 189 
HIS   N   H2   sing N N 190 
HIS   CA  C    sing N N 191 
HIS   CA  CB   sing N N 192 
HIS   CA  HA   sing N N 193 
HIS   C   O    doub N N 194 
HIS   C   OXT  sing N N 195 
HIS   CB  CG   sing N N 196 
HIS   CB  HB2  sing N N 197 
HIS   CB  HB3  sing N N 198 
HIS   CG  ND1  sing Y N 199 
HIS   CG  CD2  doub Y N 200 
HIS   ND1 CE1  doub Y N 201 
HIS   ND1 HD1  sing N N 202 
HIS   CD2 NE2  sing Y N 203 
HIS   CD2 HD2  sing N N 204 
HIS   CE1 NE2  sing Y N 205 
HIS   CE1 HE1  sing N N 206 
HIS   NE2 HE2  sing N N 207 
HIS   OXT HXT  sing N N 208 
HOH   O   H1   sing N N 209 
HOH   O   H2   sing N N 210 
ILE   N   CA   sing N N 211 
ILE   N   H    sing N N 212 
ILE   N   H2   sing N N 213 
ILE   CA  C    sing N N 214 
ILE   CA  CB   sing N N 215 
ILE   CA  HA   sing N N 216 
ILE   C   O    doub N N 217 
ILE   C   OXT  sing N N 218 
ILE   CB  CG1  sing N N 219 
ILE   CB  CG2  sing N N 220 
ILE   CB  HB   sing N N 221 
ILE   CG1 CD1  sing N N 222 
ILE   CG1 HG12 sing N N 223 
ILE   CG1 HG13 sing N N 224 
ILE   CG2 HG21 sing N N 225 
ILE   CG2 HG22 sing N N 226 
ILE   CG2 HG23 sing N N 227 
ILE   CD1 HD11 sing N N 228 
ILE   CD1 HD12 sing N N 229 
ILE   CD1 HD13 sing N N 230 
ILE   OXT HXT  sing N N 231 
LEU   N   CA   sing N N 232 
LEU   N   H    sing N N 233 
LEU   N   H2   sing N N 234 
LEU   CA  C    sing N N 235 
LEU   CA  CB   sing N N 236 
LEU   CA  HA   sing N N 237 
LEU   C   O    doub N N 238 
LEU   C   OXT  sing N N 239 
LEU   CB  CG   sing N N 240 
LEU   CB  HB2  sing N N 241 
LEU   CB  HB3  sing N N 242 
LEU   CG  CD1  sing N N 243 
LEU   CG  CD2  sing N N 244 
LEU   CG  HG   sing N N 245 
LEU   CD1 HD11 sing N N 246 
LEU   CD1 HD12 sing N N 247 
LEU   CD1 HD13 sing N N 248 
LEU   CD2 HD21 sing N N 249 
LEU   CD2 HD22 sing N N 250 
LEU   CD2 HD23 sing N N 251 
LEU   OXT HXT  sing N N 252 
LYS   N   CA   sing N N 253 
LYS   N   H    sing N N 254 
LYS   N   H2   sing N N 255 
LYS   CA  C    sing N N 256 
LYS   CA  CB   sing N N 257 
LYS   CA  HA   sing N N 258 
LYS   C   O    doub N N 259 
LYS   C   OXT  sing N N 260 
LYS   CB  CG   sing N N 261 
LYS   CB  HB2  sing N N 262 
LYS   CB  HB3  sing N N 263 
LYS   CG  CD   sing N N 264 
LYS   CG  HG2  sing N N 265 
LYS   CG  HG3  sing N N 266 
LYS   CD  CE   sing N N 267 
LYS   CD  HD2  sing N N 268 
LYS   CD  HD3  sing N N 269 
LYS   CE  NZ   sing N N 270 
LYS   CE  HE2  sing N N 271 
LYS   CE  HE3  sing N N 272 
LYS   NZ  HZ1  sing N N 273 
LYS   NZ  HZ2  sing N N 274 
LYS   NZ  HZ3  sing N N 275 
LYS   OXT HXT  sing N N 276 
PHE   N   CA   sing N N 277 
PHE   N   H    sing N N 278 
PHE   N   H2   sing N N 279 
PHE   CA  C    sing N N 280 
PHE   CA  CB   sing N N 281 
PHE   CA  HA   sing N N 282 
PHE   C   O    doub N N 283 
PHE   C   OXT  sing N N 284 
PHE   CB  CG   sing N N 285 
PHE   CB  HB2  sing N N 286 
PHE   CB  HB3  sing N N 287 
PHE   CG  CD1  doub Y N 288 
PHE   CG  CD2  sing Y N 289 
PHE   CD1 CE1  sing Y N 290 
PHE   CD1 HD1  sing N N 291 
PHE   CD2 CE2  doub Y N 292 
PHE   CD2 HD2  sing N N 293 
PHE   CE1 CZ   doub Y N 294 
PHE   CE1 HE1  sing N N 295 
PHE   CE2 CZ   sing Y N 296 
PHE   CE2 HE2  sing N N 297 
PHE   CZ  HZ   sing N N 298 
PHE   OXT HXT  sing N N 299 
PRO   N   CA   sing N N 300 
PRO   N   CD   sing N N 301 
PRO   N   H    sing N N 302 
PRO   CA  C    sing N N 303 
PRO   CA  CB   sing N N 304 
PRO   CA  HA   sing N N 305 
PRO   C   O    doub N N 306 
PRO   C   OXT  sing N N 307 
PRO   CB  CG   sing N N 308 
PRO   CB  HB2  sing N N 309 
PRO   CB  HB3  sing N N 310 
PRO   CG  CD   sing N N 311 
PRO   CG  HG2  sing N N 312 
PRO   CG  HG3  sing N N 313 
PRO   CD  HD2  sing N N 314 
PRO   CD  HD3  sing N N 315 
PRO   OXT HXT  sing N N 316 
SER   N   CA   sing N N 317 
SER   N   H    sing N N 318 
SER   N   H2   sing N N 319 
SER   CA  C    sing N N 320 
SER   CA  CB   sing N N 321 
SER   CA  HA   sing N N 322 
SER   C   O    doub N N 323 
SER   C   OXT  sing N N 324 
SER   CB  OG   sing N N 325 
SER   CB  HB2  sing N N 326 
SER   CB  HB3  sing N N 327 
SER   OG  HG   sing N N 328 
SER   OXT HXT  sing N N 329 
THR   N   CA   sing N N 330 
THR   N   H    sing N N 331 
THR   N   H2   sing N N 332 
THR   CA  C    sing N N 333 
THR   CA  CB   sing N N 334 
THR   CA  HA   sing N N 335 
THR   C   O    doub N N 336 
THR   C   OXT  sing N N 337 
THR   CB  OG1  sing N N 338 
THR   CB  CG2  sing N N 339 
THR   CB  HB   sing N N 340 
THR   OG1 HG1  sing N N 341 
THR   CG2 HG21 sing N N 342 
THR   CG2 HG22 sing N N 343 
THR   CG2 HG23 sing N N 344 
THR   OXT HXT  sing N N 345 
TRP   N   CA   sing N N 346 
TRP   N   H    sing N N 347 
TRP   N   H2   sing N N 348 
TRP   CA  C    sing N N 349 
TRP   CA  CB   sing N N 350 
TRP   CA  HA   sing N N 351 
TRP   C   O    doub N N 352 
TRP   C   OXT  sing N N 353 
TRP   CB  CG   sing N N 354 
TRP   CB  HB2  sing N N 355 
TRP   CB  HB3  sing N N 356 
TRP   CG  CD1  doub Y N 357 
TRP   CG  CD2  sing Y N 358 
TRP   CD1 NE1  sing Y N 359 
TRP   CD1 HD1  sing N N 360 
TRP   CD2 CE2  doub Y N 361 
TRP   CD2 CE3  sing Y N 362 
TRP   NE1 CE2  sing Y N 363 
TRP   NE1 HE1  sing N N 364 
TRP   CE2 CZ2  sing Y N 365 
TRP   CE3 CZ3  doub Y N 366 
TRP   CE3 HE3  sing N N 367 
TRP   CZ2 CH2  doub Y N 368 
TRP   CZ2 HZ2  sing N N 369 
TRP   CZ3 CH2  sing Y N 370 
TRP   CZ3 HZ3  sing N N 371 
TRP   CH2 HH2  sing N N 372 
TRP   OXT HXT  sing N N 373 
TYR   N   CA   sing N N 374 
TYR   N   H    sing N N 375 
TYR   N   H2   sing N N 376 
TYR   CA  C    sing N N 377 
TYR   CA  CB   sing N N 378 
TYR   CA  HA   sing N N 379 
TYR   C   O    doub N N 380 
TYR   C   OXT  sing N N 381 
TYR   CB  CG   sing N N 382 
TYR   CB  HB2  sing N N 383 
TYR   CB  HB3  sing N N 384 
TYR   CG  CD1  doub Y N 385 
TYR   CG  CD2  sing Y N 386 
TYR   CD1 CE1  sing Y N 387 
TYR   CD1 HD1  sing N N 388 
TYR   CD2 CE2  doub Y N 389 
TYR   CD2 HD2  sing N N 390 
TYR   CE1 CZ   doub Y N 391 
TYR   CE1 HE1  sing N N 392 
TYR   CE2 CZ   sing Y N 393 
TYR   CE2 HE2  sing N N 394 
TYR   CZ  OH   sing N N 395 
TYR   OH  HH   sing N N 396 
TYR   OXT HXT  sing N N 397 
VAL   N   CA   sing N N 398 
VAL   N   H    sing N N 399 
VAL   N   H2   sing N N 400 
VAL   CA  C    sing N N 401 
VAL   CA  CB   sing N N 402 
VAL   CA  HA   sing N N 403 
VAL   C   O    doub N N 404 
VAL   C   OXT  sing N N 405 
VAL   CB  CG1  sing N N 406 
VAL   CB  CG2  sing N N 407 
VAL   CB  HB   sing N N 408 
VAL   CG1 HG11 sing N N 409 
VAL   CG1 HG12 sing N N 410 
VAL   CG1 HG13 sing N N 411 
VAL   CG2 HG21 sing N N 412 
VAL   CG2 HG22 sing N N 413 
VAL   CG2 HG23 sing N N 414 
VAL   OXT HXT  sing N N 415 
# 
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          25777 
_pdbx_serial_crystallography_data_reduction.droplet_hits          ? 
_pdbx_serial_crystallography_data_reduction.frames_failed_index   ? 
_pdbx_serial_crystallography_data_reduction.frames_indexed        22420 
_pdbx_serial_crystallography_data_reduction.lattices_indexed      24052 
_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                    9NB4 
_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   ? 22.833  10.034  -21.021 1.00 30.82 ? 1   ILE   A N   1 
ATOM   2    C CA  . ILE   A 1 1   ? 22.607  9.099   -19.914 1.00 28.00 ? 1   ILE   A CA  1 
ATOM   3    C C   . ILE   A 1 1   ? 23.885  8.295   -19.681 1.00 29.82 ? 1   ILE   A C   1 
ATOM   4    O O   . ILE   A 1 1   ? 24.688  8.131   -20.614 1.00 27.86 ? 1   ILE   A O   1 
ATOM   5    C CB  . ILE   A 1 1   ? 21.393  8.208   -20.204 1.00 27.23 ? 1   ILE   A CB  1 
ATOM   6    C CG1 . ILE   A 1 1   ? 21.653  7.308   -21.417 1.00 24.05 ? 1   ILE   A CG1 1 
ATOM   7    C CG2 . ILE   A 1 1   ? 20.181  9.076   -20.461 1.00 28.27 ? 1   ILE   A CG2 1 
ATOM   8    C CD1 . ILE   A 1 1   ? 20.442  6.465   -21.827 1.00 27.92 ? 1   ILE   A CD1 1 
ATOM   9    N N   . PRO   A 1 2   ? 24.070  7.796   -18.460 1.00 29.66 ? 2   PRO   A N   1 
ATOM   10   C CA  . PRO   A 1 2   ? 25.341  7.166   -18.095 1.00 37.25 ? 2   PRO   A CA  1 
ATOM   11   C C   . PRO   A 1 2   ? 25.477  5.780   -18.703 1.00 29.27 ? 2   PRO   A C   1 
ATOM   12   O O   . PRO   A 1 2   ? 24.532  5.191   -19.233 1.00 28.47 ? 2   PRO   A O   1 
ATOM   13   C CB  . PRO   A 1 2   ? 25.288  7.064   -16.565 1.00 30.43 ? 2   PRO   A CB  1 
ATOM   14   C CG  . PRO   A 1 2   ? 23.962  7.633   -16.149 1.00 33.17 ? 2   PRO   A CG  1 
ATOM   15   C CD  . PRO   A 1 2   ? 23.093  7.728   -17.357 1.00 32.80 ? 2   PRO   A CD  1 
ATOM   16   N N   . GLU   A 1 3   ? 26.689  5.251   -18.574 1.00 26.74 ? 3   GLU   A N   1 
ATOM   17   C CA  . GLU   A 1 3   ? 26.986  3.937   -19.109 1.00 24.86 ? 3   GLU   A CA  1 
ATOM   18   C C   . GLU   A 1 3   ? 26.311  2.851   -18.281 1.00 29.70 ? 3   GLU   A C   1 
ATOM   19   O O   . GLU   A 1 3   ? 25.925  1.810   -18.823 1.00 28.28 ? 3   GLU   A O   1 
ATOM   20   C CB  . GLU   A 1 3   ? 28.494  3.748   -19.125 1.00 32.99 ? 3   GLU   A CB  1 
ATOM   21   C CG  . GLU   A 1 3   ? 29.185  4.800   -19.962 1.00 43.24 ? 3   GLU   A CG  1 
ATOM   22   C CD  . GLU   A 1 3   ? 30.455  4.295   -20.605 1.00 49.75 ? 3   GLU   A CD  1 
ATOM   23   O OE1 . GLU   A 1 3   ? 30.402  3.388   -21.469 1.00 49.27 ? 3   GLU   A OE1 1 
ATOM   24   O OE2 . GLU   A 1 3   ? 31.515  4.826   -20.220 1.00 52.89 ? 3   GLU   A OE2 1 
ATOM   25   N N   . TYR   A 1 4   ? 26.150  3.087   -16.980 1.00 23.23 ? 4   TYR   A N   1 
ATOM   26   C CA  . TYR   A 1 4   ? 25.542  2.121   -16.073 1.00 28.19 ? 4   TYR   A CA  1 
ATOM   27   C C   . TYR   A 1 4   ? 24.415  2.789   -15.309 1.00 29.47 ? 4   TYR   A C   1 
ATOM   28   O O   . TYR   A 1 4   ? 24.553  3.925   -14.845 1.00 24.59 ? 4   TYR   A O   1 
ATOM   29   C CB  . TYR   A 1 4   ? 26.549  1.570   -15.077 1.00 27.81 ? 4   TYR   A CB  1 
ATOM   30   C CG  . TYR   A 1 4   ? 27.525  0.595   -15.692 1.00 30.71 ? 4   TYR   A CG  1 
ATOM   31   C CD1 . TYR   A 1 4   ? 27.242  -0.760  -15.756 1.00 31.34 ? 4   TYR   A CD1 1 
ATOM   32   C CD2 . TYR   A 1 4   ? 28.735  1.042   -16.200 1.00 31.20 ? 4   TYR   A CD2 1 
ATOM   33   C CE1 . TYR   A 1 4   ? 28.145  -1.649  -16.315 1.00 29.23 ? 4   TYR   A CE1 1 
ATOM   34   C CE2 . TYR   A 1 4   ? 29.645  0.163   -16.764 1.00 35.46 ? 4   TYR   A CE2 1 
ATOM   35   C CZ  . TYR   A 1 4   ? 29.351  -1.178  -16.812 1.00 35.13 ? 4   TYR   A CZ  1 
ATOM   36   O OH  . TYR   A 1 4   ? 30.249  -2.056  -17.385 1.00 42.83 ? 4   TYR   A OH  1 
ATOM   37   N N   . VAL   A 1 5   ? 23.302  2.085   -15.187 1.00 24.00 ? 5   VAL   A N   1 
ATOM   38   C CA  . VAL   A 1 5   ? 22.233  2.481   -14.286 1.00 26.78 ? 5   VAL   A CA  1 
ATOM   39   C C   . VAL   A 1 5   ? 21.842  1.253   -13.487 1.00 26.53 ? 5   VAL   A C   1 
ATOM   40   O O   . VAL   A 1 5   ? 21.774  0.150   -14.036 1.00 24.97 ? 5   VAL   A O   1 
ATOM   41   C CB  . VAL   A 1 5   ? 21.035  3.060   -15.053 1.00 24.25 ? 5   VAL   A CB  1 
ATOM   42   C CG1 . VAL   A 1 5   ? 19.835  3.237   -14.126 1.00 27.31 ? 5   VAL   A CG1 1 
ATOM   43   C CG2 . VAL   A 1 5   ? 21.440  4.391   -15.705 1.00 28.82 ? 5   VAL   A CG2 1 
ATOM   44   N N   . ASP   A 1 6   ? 21.659  1.430   -12.175 1.00 23.88 ? 6   ASP   A N   1 
ATOM   45   C CA  . ASP   A 1 6   ? 21.220  0.338   -11.312 1.00 26.75 ? 6   ASP   A CA  1 
ATOM   46   C C   . ASP   A 1 6   ? 20.375  0.955   -10.209 1.00 29.13 ? 6   ASP   A C   1 
ATOM   47   O O   . ASP   A 1 6   ? 20.915  1.444   -9.211  1.00 29.16 ? 6   ASP   A O   1 
ATOM   48   C CB  . ASP   A 1 6   ? 22.393  -0.430  -10.725 1.00 30.39 ? 6   ASP   A CB  1 
ATOM   49   C CG  . ASP   A 1 6   ? 21.956  -1.727  -10.057 1.00 32.99 ? 6   ASP   A CG  1 
ATOM   50   O OD1 . ASP   A 1 6   ? 20.775  -1.827  -9.670  1.00 30.17 ? 6   ASP   A OD1 1 
ATOM   51   O OD2 . ASP   A 1 6   ? 22.796  -2.629  -9.891  1.00 34.32 ? 6   ASP   A OD2 1 
ATOM   52   N N   . TRP   A 1 7   ? 19.063  0.915   -10.386 1.00 25.69 ? 7   TRP   A N   1 
ATOM   53   C CA  . TRP   A 1 7   ? 18.177  1.529   -9.407  1.00 22.69 ? 7   TRP   A CA  1 
ATOM   54   C C   . TRP   A 1 7   ? 18.233  0.833   -8.053  1.00 28.56 ? 7   TRP   A C   1 
ATOM   55   O O   . TRP   A 1 7   ? 17.779  1.409   -7.053  1.00 27.31 ? 7   TRP   A O   1 
ATOM   56   C CB  . TRP   A 1 7   ? 16.758  1.543   -9.968  1.00 25.15 ? 7   TRP   A CB  1 
ATOM   57   C CG  . TRP   A 1 7   ? 16.609  2.632   -10.952 1.00 30.74 ? 7   TRP   A CG  1 
ATOM   58   C CD1 . TRP   A 1 7   ? 16.460  2.520   -12.306 1.00 29.01 ? 7   TRP   A CD1 1 
ATOM   59   C CD2 . TRP   A 1 7   ? 16.640  4.027   -10.661 1.00 27.25 ? 7   TRP   A CD2 1 
ATOM   60   N NE1 . TRP   A 1 7   ? 16.369  3.775   -12.873 1.00 25.63 ? 7   TRP   A NE1 1 
ATOM   61   C CE2 . TRP   A 1 7   ? 16.485  4.715   -11.883 1.00 28.72 ? 7   TRP   A CE2 1 
ATOM   62   C CE3 . TRP   A 1 7   ? 16.777  4.765   -9.476  1.00 31.09 ? 7   TRP   A CE3 1 
ATOM   63   C CZ2 . TRP   A 1 7   ? 16.460  6.108   -11.956 1.00 30.20 ? 7   TRP   A CZ2 1 
ATOM   64   C CZ3 . TRP   A 1 7   ? 16.746  6.139   -9.547  1.00 30.19 ? 7   TRP   A CZ3 1 
ATOM   65   C CH2 . TRP   A 1 7   ? 16.599  6.799   -10.780 1.00 29.62 ? 7   TRP   A CH2 1 
ATOM   66   N N   . ARG   A 1 8   ? 18.785  -0.385  -7.983  1.00 27.53 ? 8   ARG   A N   1 
ATOM   67   C CA  . ARG   A 1 8   ? 18.947  -1.004  -6.674  1.00 26.10 ? 8   ARG   A CA  1 
ATOM   68   C C   . ARG   A 1 8   ? 19.987  -0.275  -5.851  1.00 33.30 ? 8   ARG   A C   1 
ATOM   69   O O   . ARG   A 1 8   ? 19.875  -0.226  -4.624  1.00 29.94 ? 8   ARG   A O   1 
ATOM   70   C CB  . ARG   A 1 8   ? 19.355  -2.459  -6.806  1.00 28.63 ? 8   ARG   A CB  1 
ATOM   71   C CG  . ARG   A 1 8   ? 18.463  -3.245  -7.701  1.00 26.88 ? 8   ARG   A CG  1 
ATOM   72   C CD  . ARG   A 1 8   ? 19.071  -4.606  -7.854  1.00 32.71 ? 8   ARG   A CD  1 
ATOM   73   N NE  . ARG   A 1 8   ? 20.299  -4.515  -8.632  1.00 27.80 ? 8   ARG   A NE  1 
ATOM   74   C CZ  . ARG   A 1 8   ? 20.996  -5.563  -9.034  1.00 32.34 ? 8   ARG   A CZ  1 
ATOM   75   N NH1 . ARG   A 1 8   ? 20.625  -6.795  -8.720  1.00 33.65 ? 8   ARG   A NH1 1 
ATOM   76   N NH2 . ARG   A 1 8   ? 22.114  -5.370  -9.730  1.00 28.72 ? 8   ARG   A NH2 1 
ATOM   77   N N   . GLN   A 1 9   ? 21.016  0.267   -6.503  1.00 31.08 ? 9   GLN   A N   1 
ATOM   78   C CA  . GLN   A 1 9   ? 22.022  1.029   -5.777  1.00 35.84 ? 9   GLN   A CA  1 
ATOM   79   C C   . GLN   A 1 9   ? 21.507  2.386   -5.324  1.00 37.41 ? 9   GLN   A C   1 
ATOM   80   O O   . GLN   A 1 9   ? 22.047  2.951   -4.371  1.00 38.42 ? 9   GLN   A O   1 
ATOM   81   C CB  . GLN   A 1 9   ? 23.274  1.190   -6.632  1.00 35.50 ? 9   GLN   A CB  1 
ATOM   82   C CG  . GLN   A 1 9   ? 23.915  -0.138  -6.937  1.00 46.51 ? 9   GLN   A CG  1 
ATOM   83   C CD  . GLN   A 1 9   ? 25.192  0.009   -7.720  1.00 61.18 ? 9   GLN   A CD  1 
ATOM   84   O OE1 . GLN   A 1 9   ? 26.143  -0.746  -7.515  1.00 71.83 ? 9   GLN   A OE1 1 
ATOM   85   N NE2 . GLN   A 1 9   ? 25.232  0.991   -8.616  1.00 56.39 ? 9   GLN   A NE2 1 
ATOM   86   N N   . LYS   A 1 10  ? 20.486  2.923   -5.979  1.00 31.45 ? 10  LYS   A N   1 
ATOM   87   C CA  . LYS   A 1 10  ? 19.823  4.131   -5.512  1.00 32.62 ? 10  LYS   A CA  1 
ATOM   88   C C   . LYS   A 1 10  ? 18.724  3.839   -4.502  1.00 40.17 ? 10  LYS   A C   1 
ATOM   89   O O   . LYS   A 1 10  ? 17.976  4.752   -4.134  1.00 39.33 ? 10  LYS   A O   1 
ATOM   90   C CB  . LYS   A 1 10  ? 19.270  4.918   -6.702  1.00 39.62 ? 10  LYS   A CB  1 
ATOM   91   C CG  . LYS   A 1 10  ? 20.300  5.162   -7.795  1.00 41.64 ? 10  LYS   A CG  1 
ATOM   92   C CD  . LYS   A 1 10  ? 21.291  6.228   -7.324  1.00 53.71 ? 10  LYS   A CD  1 
ATOM   93   C CE  . LYS   A 1 10  ? 21.729  7.166   -8.449  1.00 62.26 ? 10  LYS   A CE  1 
ATOM   94   N NZ  . LYS   A 1 10  ? 23.222  7.248   -8.555  1.00 56.46 ? 10  LYS   A NZ  1 
ATOM   95   N N   . GLY   A 1 11  ? 18.620  2.596   -4.034  1.00 39.20 ? 11  GLY   A N   1 
ATOM   96   C CA  . GLY   A 1 11  ? 17.634  2.267   -3.023  1.00 37.78 ? 11  GLY   A CA  1 
ATOM   97   C C   . GLY   A 1 11  ? 16.206  2.372   -3.504  1.00 32.83 ? 11  GLY   A C   1 
ATOM   98   O O   . GLY   A 1 11  ? 15.308  2.624   -2.693  1.00 33.69 ? 11  GLY   A O   1 
ATOM   99   N N   . ALA   A 1 12  ? 15.970  2.192   -4.806  1.00 29.29 ? 12  ALA   A N   1 
ATOM   100  C CA  . ALA   A 1 12  ? 14.652  2.362   -5.398  1.00 26.54 ? 12  ALA   A CA  1 
ATOM   101  C C   . ALA   A 1 12  ? 13.976  1.041   -5.728  1.00 25.34 ? 12  ALA   A C   1 
ATOM   102  O O   . ALA   A 1 12  ? 12.955  1.031   -6.421  1.00 26.98 ? 12  ALA   A O   1 
ATOM   103  C CB  . ALA   A 1 12  ? 14.736  3.208   -6.661  1.00 28.20 ? 12  ALA   A CB  1 
ATOM   104  N N   . VAL   A 1 13  ? 14.519  -0.073  -5.269  1.00 26.79 ? 13  VAL   A N   1 
ATOM   105  C CA  . VAL   A 1 13  ? 14.020  -1.387  -5.660  1.00 28.49 ? 13  VAL   A CA  1 
ATOM   106  C C   . VAL   A 1 13  ? 13.817  -2.199  -4.400  1.00 25.86 ? 13  VAL   A C   1 
ATOM   107  O O   . VAL   A 1 13  ? 14.731  -2.310  -3.572  1.00 26.13 ? 13  VAL   A O   1 
ATOM   108  C CB  . VAL   A 1 13  ? 14.974  -2.108  -6.631  1.00 24.01 ? 13  VAL   A CB  1 
ATOM   109  C CG1 . VAL   A 1 13  ? 14.417  -3.507  -7.002  1.00 24.39 ? 13  VAL   A CG1 1 
ATOM   110  C CG2 . VAL   A 1 13  ? 15.174  -1.268  -7.912  1.00 22.91 ? 13  VAL   A CG2 1 
ATOM   111  N N   . THR   A 1 14  ? 12.619  -2.746  -4.247  1.00 22.18 ? 14  THR   A N   1 
ATOM   112  C CA  . THR   A 1 14  ? 12.298  -3.547  -3.083  1.00 25.93 ? 14  THR   A CA  1 
ATOM   113  C C   . THR   A 1 14  ? 12.772  -4.972  -3.309  1.00 23.45 ? 14  THR   A C   1 
ATOM   114  O O   . THR   A 1 14  ? 13.183  -5.328  -4.416  1.00 23.20 ? 14  THR   A O   1 
ATOM   115  C CB  . THR   A 1 14  ? 10.800  -3.483  -2.804  1.00 20.06 ? 14  THR   A CB  1 
ATOM   116  O OG1 . THR   A 1 14  ? 10.083  -4.136  -3.863  1.00 24.03 ? 14  THR   A OG1 1 
ATOM   117  C CG2 . THR   A 1 14  ? 10.358  -2.037  -2.662  1.00 25.02 ? 14  THR   A CG2 1 
ATOM   118  N N   . PRO   A 1 15  ? 12.741  -5.809  -2.273  1.00 22.68 ? 15  PRO   A N   1 
ATOM   119  C CA  . PRO   A 1 15  ? 13.153  -7.204  -2.447  1.00 22.05 ? 15  PRO   A CA  1 
ATOM   120  C C   . PRO   A 1 15  ? 12.412  -7.888  -3.584  1.00 23.77 ? 15  PRO   A C   1 
ATOM   121  O O   . PRO   A 1 15  ? 11.276  -7.537  -3.931  1.00 24.77 ? 15  PRO   A O   1 
ATOM   122  C CB  . PRO   A 1 15  ? 12.802  -7.834  -1.096  1.00 25.62 ? 15  PRO   A CB  1 
ATOM   123  C CG  . PRO   A 1 15  ? 13.071  -6.696  -0.144  1.00 23.09 ? 15  PRO   A CG  1 
ATOM   124  C CD  . PRO   A 1 15  ? 12.430  -5.530  -0.852  1.00 25.47 ? 15  PRO   A CD  1 
ATOM   125  N N   . VAL   A 1 16  ? 13.070  -8.903  -4.137  1.00 23.42 ? 16  VAL   A N   1 
ATOM   126  C CA  . VAL   A 1 16  ? 12.501  -9.691  -5.217  1.00 20.55 ? 16  VAL   A CA  1 
ATOM   127  C C   . VAL   A 1 16  ? 11.337  -10.512 -4.690  1.00 25.71 ? 16  VAL   A C   1 
ATOM   128  O O   . VAL   A 1 16  ? 11.399  -11.102 -3.596  1.00 23.82 ? 16  VAL   A O   1 
ATOM   129  C CB  . VAL   A 1 16  ? 13.581  -10.602 -5.827  1.00 23.39 ? 16  VAL   A CB  1 
ATOM   130  C CG1 . VAL   A 1 16  ? 12.957  -11.735 -6.656  1.00 22.70 ? 16  VAL   A CG1 1 
ATOM   131  C CG2 . VAL   A 1 16  ? 14.576  -9.773  -6.643  1.00 24.10 ? 16  VAL   A CG2 1 
ATOM   132  N N   . LYS   A 1 17  ? 10.264  -10.554 -5.471  1.00 21.38 ? 17  LYS   A N   1 
ATOM   133  C CA  . LYS   A 1 17  ? 9.074   -11.289 -5.089  1.00 23.33 ? 17  LYS   A CA  1 
ATOM   134  C C   . LYS   A 1 17  ? 8.937   -12.531 -5.951  1.00 23.40 ? 17  LYS   A C   1 
ATOM   135  O O   . LYS   A 1 17  ? 9.589   -12.693 -6.980  1.00 23.55 ? 17  LYS   A O   1 
ATOM   136  C CB  . LYS   A 1 17  ? 7.824   -10.413 -5.226  1.00 25.38 ? 17  LYS   A CB  1 
ATOM   137  C CG  . LYS   A 1 17  ? 7.979   -9.019  -4.651  1.00 26.08 ? 17  LYS   A CG  1 
ATOM   138  C CD  . LYS   A 1 17  ? 8.362   -9.081  -3.196  1.00 27.81 ? 17  LYS   A CD  1 
ATOM   139  C CE  . LYS   A 1 17  ? 7.985   -7.794  -2.491  1.00 27.12 ? 17  LYS   A CE  1 
ATOM   140  N NZ  . LYS   A 1 17  ? 8.803   -6.645  -2.929  1.00 19.94 ? 17  LYS   A NZ  1 
ATOM   141  N N   . ASN   A 1 18  ? 8.051   -13.410 -5.506  1.00 23.76 ? 18  ASN   A N   1 
ATOM   142  C CA  . ASN   A 1 18  ? 7.683   -14.602 -6.246  1.00 25.11 ? 18  ASN   A CA  1 
ATOM   143  C C   . ASN   A 1 18  ? 6.180   -14.541 -6.489  1.00 25.95 ? 18  ASN   A C   1 
ATOM   144  O O   . ASN   A 1 18  ? 5.386   -14.580 -5.534  1.00 24.56 ? 18  ASN   A O   1 
ATOM   145  C CB  . ASN   A 1 18  ? 8.068   -15.858 -5.479  1.00 26.23 ? 18  ASN   A CB  1 
ATOM   146  C CG  . ASN   A 1 18  ? 7.988   -17.087 -6.335  1.00 29.65 ? 18  ASN   A CG  1 
ATOM   147  O OD1 . ASN   A 1 18  ? 7.315   -17.087 -7.371  1.00 27.88 ? 18  ASN   A OD1 1 
ATOM   148  N ND2 . ASN   A 1 18  ? 8.691   -18.143 -5.931  1.00 42.36 ? 18  ASN   A ND2 1 
ATOM   149  N N   . GLN   A 1 19  ? 5.793   -14.428 -7.763  1.00 21.04 ? 19  GLN   A N   1 
ATOM   150  C CA  . GLN   A 1 19  ? 4.378   -14.383 -8.106  1.00 23.49 ? 19  GLN   A CA  1 
ATOM   151  C C   . GLN   A 1 19  ? 3.688   -15.730 -7.936  1.00 22.79 ? 19  GLN   A C   1 
ATOM   152  O O   . GLN   A 1 19  ? 2.456   -15.779 -7.944  1.00 26.02 ? 19  GLN   A O   1 
ATOM   153  C CB  . GLN   A 1 19  ? 4.209   -13.924 -9.554  1.00 20.96 ? 19  GLN   A CB  1 
ATOM   154  C CG  . GLN   A 1 19  ? 4.733   -14.956 -10.529 1.00 21.58 ? 19  GLN   A CG  1 
ATOM   155  C CD  . GLN   A 1 19  ? 4.604   -14.476 -11.958 1.00 28.00 ? 19  GLN   A CD  1 
ATOM   156  O OE1 . GLN   A 1 19  ? 5.410   -13.664 -12.422 1.00 26.35 ? 19  GLN   A OE1 1 
ATOM   157  N NE2 . GLN   A 1 19  ? 3.565   -14.936 -12.648 1.00 26.10 ? 19  GLN   A NE2 1 
ATOM   158  N N   . GLY   A 1 20  ? 4.435   -16.813 -7.843  1.00 24.82 ? 20  GLY   A N   1 
ATOM   159  C CA  . GLY   A 1 20  ? 3.793   -18.095 -7.650  1.00 31.45 ? 20  GLY   A CA  1 
ATOM   160  C C   . GLY   A 1 20  ? 3.176   -18.551 -8.953  1.00 27.84 ? 20  GLY   A C   1 
ATOM   161  O O   . GLY   A 1 20  ? 3.572   -18.117 -10.041 1.00 29.58 ? 20  GLY   A O   1 
ATOM   162  N N   . SER   A 1 21  ? 2.170   -19.413 -8.845  1.00 28.43 ? 21  SER   A N   1 
ATOM   163  C CA  . SER   A 1 21  ? 1.592   -19.991 -10.060 1.00 36.54 ? 21  SER   A CA  1 
ATOM   164  C C   . SER   A 1 21  ? 0.661   -19.026 -10.790 1.00 39.44 ? 21  SER   A C   1 
ATOM   165  O O   . SER   A 1 21  ? 0.373   -19.224 -11.974 1.00 38.85 ? 21  SER   A O   1 
ATOM   166  C CB  . SER   A 1 21  ? 0.842   -21.278 -9.725  1.00 32.58 ? 21  SER   A CB  1 
ATOM   167  O OG  . SER   A 1 21  ? 0.115   -21.126 -8.527  1.00 45.93 ? 21  SER   A OG  1 
ATOM   168  N N   . CYS   A 1 22  ? 0.208   -17.988 -10.108 1.00 27.83 ? 22  CYS   A N   1 
ATOM   169  C CA  . CYS   A 1 22  ? -0.700  -17.004 -10.665 1.00 28.41 ? 22  CYS   A CA  1 
ATOM   170  C C   . CYS   A 1 22  ? -0.032  -16.200 -11.784 1.00 30.17 ? 22  CYS   A C   1 
ATOM   171  O O   . CYS   A 1 22  ? 1.103   -15.732 -11.638 1.00 29.23 ? 22  CYS   A O   1 
ATOM   172  C CB  . CYS   A 1 22  ? -1.147  -16.099 -9.527  1.00 26.93 ? 22  CYS   A CB  1 
ATOM   173  S SG  . CYS   A 1 22  ? -2.154  -14.716 -9.972  1.00 26.57 ? 22  CYS   A SG  1 
ATOM   174  N N   . GLY   A 1 23  ? -0.743  -16.029 -12.901 1.00 26.19 ? 23  GLY   A N   1 
ATOM   175  C CA  . GLY   A 1 23  ? -0.241  -15.242 -14.010 1.00 26.19 ? 23  GLY   A CA  1 
ATOM   176  C C   . GLY   A 1 23  ? -0.373  -13.759 -13.738 1.00 24.30 ? 23  GLY   A C   1 
ATOM   177  O O   . GLY   A 1 23  ? -1.051  -13.023 -14.467 1.00 28.22 ? 23  GLY   A O   1 
ATOM   178  N N   . SER   A 1 24  ? 0.309   -13.310 -12.693 1.00 22.33 ? 24  SER   A N   1 
ATOM   179  C CA  . SER   A 1 24  ? 0.177   -11.953 -12.180 1.00 24.37 ? 24  SER   A CA  1 
ATOM   180  C C   . SER   A 1 24  ? 1.397   -11.105 -12.493 1.00 23.33 ? 24  SER   A C   1 
ATOM   181  O O   . SER   A 1 24  ? 1.578   -10.045 -11.891 1.00 23.76 ? 24  SER   A O   1 
ATOM   182  C CB  . SER   A 1 24  ? -0.059  -11.981 -10.670 1.00 23.73 ? 24  SER   A CB  1 
ATOM   183  O OG  . SER   A 1 24  ? 0.982   -12.723 -10.037 1.00 25.44 ? 24  SER   A OG  1 
ATOM   184  N N   . CYS   A 1 25  ? 2.240   -11.562 -13.418 1.00 21.86 ? 25  CYS   A N   1 
ATOM   185  C CA  . CYS   A 1 25  ? 3.463   -10.840 -13.749 1.00 25.44 ? 25  CYS   A CA  1 
ATOM   186  C C   . CYS   A 1 25  ? 3.178   -9.385  -14.080 1.00 23.49 ? 25  CYS   A C   1 
ATOM   187  O O   . CYS   A 1 25  ? 3.958   -8.503  -13.722 1.00 22.67 ? 25  CYS   A O   1 
ATOM   188  C CB  . CYS   A 1 25  ? 4.167   -11.512 -14.928 1.00 24.90 ? 25  CYS   A CB  1 
ATOM   189  S SG  . CYS   A 1 25  ? 3.159   -11.555 -16.435 1.00 33.98 ? 25  CYS   A SG  1 
ATOM   190  N N   . TRP   A 1 26  ? 2.073   -9.123  -14.791 1.00 20.34 ? 26  TRP   A N   1 
ATOM   191  C CA  . TRP   A 1 26  ? 1.715   -7.762  -15.166 1.00 25.39 ? 26  TRP   A CA  1 
ATOM   192  C C   . TRP   A 1 26  ? 1.570   -6.868  -13.943 1.00 24.51 ? 26  TRP   A C   1 
ATOM   193  O O   . TRP   A 1 26  ? 1.941   -5.690  -13.976 1.00 23.70 ? 26  TRP   A O   1 
ATOM   194  C CB  . TRP   A 1 26  ? 0.411   -7.786  -15.967 1.00 27.45 ? 26  TRP   A CB  1 
ATOM   195  C CG  . TRP   A 1 26  ? -0.708  -8.494  -15.272 1.00 24.91 ? 26  TRP   A CG  1 
ATOM   196  C CD1 . TRP   A 1 26  ? -0.945  -9.849  -15.238 1.00 28.24 ? 26  TRP   A CD1 1 
ATOM   197  C CD2 . TRP   A 1 26  ? -1.753  -7.887  -14.502 1.00 23.93 ? 26  TRP   A CD2 1 
ATOM   198  N NE1 . TRP   A 1 26  ? -2.087  -10.111 -14.501 1.00 26.65 ? 26  TRP   A NE1 1 
ATOM   199  C CE2 . TRP   A 1 26  ? -2.587  -8.920  -14.029 1.00 25.16 ? 26  TRP   A CE2 1 
ATOM   200  C CE3 . TRP   A 1 26  ? -2.072  -6.564  -14.180 1.00 25.99 ? 26  TRP   A CE3 1 
ATOM   201  C CZ2 . TRP   A 1 26  ? -3.730  -8.669  -13.257 1.00 25.35 ? 26  TRP   A CZ2 1 
ATOM   202  C CZ3 . TRP   A 1 26  ? -3.201  -6.322  -13.382 1.00 29.05 ? 26  TRP   A CZ3 1 
ATOM   203  C CH2 . TRP   A 1 26  ? -4.018  -7.373  -12.952 1.00 22.78 ? 26  TRP   A CH2 1 
ATOM   204  N N   . ALA   A 1 27  ? 1.024   -7.410  -12.853 1.00 24.22 ? 27  ALA   A N   1 
ATOM   205  C CA  . ALA   A 1 27  ? 0.866   -6.627  -11.635 1.00 24.96 ? 27  ALA   A CA  1 
ATOM   206  C C   . ALA   A 1 27  ? 2.197   -6.460  -10.911 1.00 20.75 ? 27  ALA   A C   1 
ATOM   207  O O   . ALA   A 1 27  ? 2.492   -5.383  -10.392 1.00 22.18 ? 27  ALA   A O   1 
ATOM   208  C CB  . ALA   A 1 27  ? -0.173  -7.285  -10.730 1.00 23.34 ? 27  ALA   A CB  1 
ATOM   209  N N   . PHE   A 1 28  ? 3.011   -7.517  -10.854 1.00 22.31 ? 28  PHE   A N   1 
ATOM   210  C CA  . PHE   A 1 28  ? 4.332   -7.391  -10.235 1.00 21.72 ? 28  PHE   A CA  1 
ATOM   211  C C   . PHE   A 1 28  ? 5.176   -6.373  -10.978 1.00 19.81 ? 28  PHE   A C   1 
ATOM   212  O O   . PHE   A 1 28  ? 5.771   -5.477  -10.364 1.00 20.90 ? 28  PHE   A O   1 
ATOM   213  C CB  . PHE   A 1 28  ? 5.021   -8.754  -10.192 1.00 20.49 ? 28  PHE   A CB  1 
ATOM   214  C CG  . PHE   A 1 28  ? 4.546   -9.586  -9.038  1.00 22.94 ? 28  PHE   A CG  1 
ATOM   215  C CD1 . PHE   A 1 28  ? 3.329   -10.242 -9.124  1.00 24.26 ? 28  PHE   A CD1 1 
ATOM   216  C CD2 . PHE   A 1 28  ? 5.275   -9.677  -7.865  1.00 22.82 ? 28  PHE   A CD2 1 
ATOM   217  C CE1 . PHE   A 1 28  ? 2.830   -10.980 -8.063  1.00 24.77 ? 28  PHE   A CE1 1 
ATOM   218  C CE2 . PHE   A 1 28  ? 4.775   -10.416 -6.781  1.00 25.51 ? 28  PHE   A CE2 1 
ATOM   219  C CZ  . PHE   A 1 28  ? 3.549   -11.080 -6.897  1.00 22.85 ? 28  PHE   A CZ  1 
ATOM   220  N N   . SER   A 1 29  ? 5.225   -6.500  -12.311 1.00 21.13 ? 29  SER   A N   1 
ATOM   221  C CA  . SER   A 1 29  ? 5.926   -5.532  -13.149 1.00 20.26 ? 29  SER   A CA  1 
ATOM   222  C C   . SER   A 1 29  ? 5.481   -4.102  -12.834 1.00 22.91 ? 29  SER   A C   1 
ATOM   223  O O   . SER   A 1 29  ? 6.305   -3.208  -12.574 1.00 20.43 ? 29  SER   A O   1 
ATOM   224  C CB  . SER   A 1 29  ? 5.655   -5.894  -14.610 1.00 22.54 ? 29  SER   A CB  1 
ATOM   225  O OG  . SER   A 1 29  ? 6.125   -4.898  -15.489 1.00 25.38 ? 29  SER   A OG  1 
ATOM   226  N N   . ALA   A 1 30  ? 4.173   -3.877  -12.830 1.00 20.73 ? 30  ALA   A N   1 
ATOM   227  C CA  . ALA   A 1 30  ? 3.656   -2.529  -12.590 1.00 21.63 ? 30  ALA   A CA  1 
ATOM   228  C C   . ALA   A 1 30  ? 4.073   -2.021  -11.218 1.00 23.47 ? 30  ALA   A C   1 
ATOM   229  O O   . ALA   A 1 30  ? 4.478   -0.860  -11.063 1.00 24.53 ? 30  ALA   A O   1 
ATOM   230  C CB  . ALA   A 1 30  ? 2.130   -2.531  -12.728 1.00 23.44 ? 30  ALA   A CB  1 
ATOM   231  N N   . VAL   A 1 31  ? 4.001   -2.886  -10.210 1.00 26.08 ? 31  VAL   A N   1 
ATOM   232  C CA  . VAL   A 1 31  ? 4.296   -2.445  -8.857  1.00 21.47 ? 31  VAL   A CA  1 
ATOM   233  C C   . VAL   A 1 31  ? 5.761   -2.044  -8.732  1.00 21.44 ? 31  VAL   A C   1 
ATOM   234  O O   . VAL   A 1 31  ? 6.089   -1.067  -8.047  1.00 25.44 ? 31  VAL   A O   1 
ATOM   235  C CB  . VAL   A 1 31  ? 3.907   -3.531  -7.844  1.00 20.63 ? 31  VAL   A CB  1 
ATOM   236  C CG1 . VAL   A 1 31  ? 4.654   -3.311  -6.501  1.00 26.03 ? 31  VAL   A CG1 1 
ATOM   237  C CG2 . VAL   A 1 31  ? 2.388   -3.505  -7.606  1.00 22.29 ? 31  VAL   A CG2 1 
ATOM   238  N N   . VAL   A 1 32  ? 6.664   -2.771  -9.395  1.00 20.51 ? 32  VAL   A N   1 
ATOM   239  C CA  . VAL   A 1 32  ? 8.073   -2.391  -9.338  1.00 21.94 ? 32  VAL   A CA  1 
ATOM   240  C C   . VAL   A 1 32  ? 8.237   -0.947  -9.786  1.00 23.60 ? 32  VAL   A C   1 
ATOM   241  O O   . VAL   A 1 32  ? 8.990   -0.169  -9.184  1.00 24.70 ? 32  VAL   A O   1 
ATOM   242  C CB  . VAL   A 1 32  ? 8.942   -3.315  -10.213 1.00 26.86 ? 32  VAL   A CB  1 
ATOM   243  C CG1 . VAL   A 1 32  ? 10.393  -2.809  -10.182 1.00 21.53 ? 32  VAL   A CG1 1 
ATOM   244  C CG2 . VAL   A 1 32  ? 8.871   -4.797  -9.760  1.00 21.09 ? 32  VAL   A CG2 1 
ATOM   245  N N   . THR   A 1 33  ? 7.557   -0.576  -10.874 1.00 23.42 ? 33  THR   A N   1 
ATOM   246  C CA  . THR   A 1 33  ? 7.713   0.774   -11.389 1.00 20.89 ? 33  THR   A CA  1 
ATOM   247  C C   . THR   A 1 33  ? 7.099   1.791   -10.443 1.00 23.95 ? 33  THR   A C   1 
ATOM   248  O O   . THR   A 1 33  ? 7.596   2.910   -10.344 1.00 25.00 ? 33  THR   A O   1 
ATOM   249  C CB  . THR   A 1 33  ? 7.106   0.889   -12.780 1.00 22.09 ? 33  THR   A CB  1 
ATOM   250  O OG1 . THR   A 1 33  ? 5.679   0.795   -12.695 1.00 23.95 ? 33  THR   A OG1 1 
ATOM   251  C CG2 . THR   A 1 33  ? 7.645   -0.209  -13.700 1.00 23.96 ? 33  THR   A CG2 1 
ATOM   252  N N   . ILE   A 1 34  ? 6.049   1.407   -9.721  1.00 24.57 ? 34  ILE   A N   1 
ATOM   253  C CA  . ILE   A 1 34  ? 5.457   2.311   -8.745  1.00 24.04 ? 34  ILE   A CA  1 
ATOM   254  C C   . ILE   A 1 34  ? 6.384   2.465   -7.548  1.00 21.50 ? 34  ILE   A C   1 
ATOM   255  O O   . ILE   A 1 34  ? 6.662   3.580   -7.094  1.00 24.43 ? 34  ILE   A O   1 
ATOM   256  C CB  . ILE   A 1 34  ? 4.065   1.796   -8.345  1.00 25.57 ? 34  ILE   A CB  1 
ATOM   257  C CG1 . ILE   A 1 34  ? 3.133   1.907   -9.545  1.00 28.34 ? 34  ILE   A CG1 1 
ATOM   258  C CG2 . ILE   A 1 34  ? 3.497   2.579   -7.140  1.00 26.20 ? 34  ILE   A CG2 1 
ATOM   259  C CD1 . ILE   A 1 34  ? 2.026   0.937   -9.505  1.00 38.04 ? 34  ILE   A CD1 1 
ATOM   260  N N   . GLU   A 1 35  ? 6.871   1.349   -7.001  1.00 22.90 ? 35  GLU   A N   1 
ATOM   261  C CA  . GLU   A 1 35  ? 7.842   1.449   -5.919  1.00 23.71 ? 35  GLU   A CA  1 
ATOM   262  C C   . GLU   A 1 35  ? 9.017   2.319   -6.332  1.00 26.62 ? 35  GLU   A C   1 
ATOM   263  O O   . GLU   A 1 35  ? 9.503   3.136   -5.544  1.00 24.94 ? 35  GLU   A O   1 
ATOM   264  C CB  . GLU   A 1 35  ? 8.325   0.056   -5.513  1.00 21.60 ? 35  GLU   A CB  1 
ATOM   265  C CG  . GLU   A 1 35  ? 7.186   -0.750  -4.970  1.00 20.07 ? 35  GLU   A CG  1 
ATOM   266  C CD  . GLU   A 1 35  ? 7.507   -2.196  -4.778  1.00 25.57 ? 35  GLU   A CD  1 
ATOM   267  O OE1 . GLU   A 1 35  ? 8.494   -2.696  -5.373  1.00 25.24 ? 35  GLU   A OE1 1 
ATOM   268  O OE2 . GLU   A 1 35  ? 6.737   -2.841  -4.045  1.00 24.31 ? 35  GLU   A OE2 1 
ATOM   269  N N   . GLY   A 1 36  ? 9.475   2.163   -7.572  1.00 22.01 ? 36  GLY   A N   1 
ATOM   270  C CA  . GLY   A 1 36  ? 10.593  2.964   -8.034  1.00 22.48 ? 36  GLY   A CA  1 
ATOM   271  C C   . GLY   A 1 36  ? 10.265  4.441   -8.100  1.00 25.59 ? 36  GLY   A C   1 
ATOM   272  O O   . GLY   A 1 36  ? 11.008  5.279   -7.581  1.00 29.15 ? 36  GLY   A O   1 
ATOM   273  N N   . ILE   A 1 37  ? 9.167   4.787   -8.770  1.00 29.27 ? 37  ILE   A N   1 
ATOM   274  C CA  . ILE   A 1 37  ? 8.896   6.209   -8.970  1.00 27.63 ? 37  ILE   A CA  1 
ATOM   275  C C   . ILE   A 1 37  ? 8.562   6.898   -7.645  1.00 31.07 ? 37  ILE   A C   1 
ATOM   276  O O   . ILE   A 1 37  ? 8.944   8.057   -7.439  1.00 30.22 ? 37  ILE   A O   1 
ATOM   277  C CB  . ILE   A 1 37  ? 7.808   6.421   -10.043 1.00 31.20 ? 37  ILE   A CB  1 
ATOM   278  C CG1 . ILE   A 1 37  ? 7.829   7.873   -10.556 1.00 33.06 ? 37  ILE   A CG1 1 
ATOM   279  C CG2 . ILE   A 1 37  ? 6.417   6.060   -9.548  1.00 30.35 ? 37  ILE   A CG2 1 
ATOM   280  C CD1 . ILE   A 1 37  ? 9.134   8.293   -11.166 1.00 37.16 ? 37  ILE   A CD1 1 
ATOM   281  N N   . ILE   A 1 38  ? 7.908   6.203   -6.705  1.00 29.90 ? 38  ILE   A N   1 
ATOM   282  C CA  . ILE   A 1 38  ? 7.638   6.825   -5.404  1.00 30.02 ? 38  ILE   A CA  1 
ATOM   283  C C   . ILE   A 1 38  ? 8.941   7.108   -4.664  1.00 28.08 ? 38  ILE   A C   1 
ATOM   284  O O   . ILE   A 1 38  ? 9.112   8.177   -4.065  1.00 33.10 ? 38  ILE   A O   1 
ATOM   285  C CB  . ILE   A 1 38  ? 6.681   5.956   -4.561  1.00 30.27 ? 38  ILE   A CB  1 
ATOM   286  C CG1 . ILE   A 1 38  ? 5.312   5.876   -5.222  1.00 33.84 ? 38  ILE   A CG1 1 
ATOM   287  C CG2 . ILE   A 1 38  ? 6.524   6.544   -3.172  1.00 30.84 ? 38  ILE   A CG2 1 
ATOM   288  C CD1 . ILE   A 1 38  ? 4.699   7.225   -5.474  1.00 34.07 ? 38  ILE   A CD1 1 
ATOM   289  N N   . LYS   A 1 39  ? 9.880   6.163   -4.680  1.00 26.67 ? 39  LYS   A N   1 
ATOM   290  C CA  . LYS   A 1 39  ? 11.158  6.424   -4.028  1.00 30.34 ? 39  LYS   A CA  1 
ATOM   291  C C   . LYS   A 1 39  ? 11.878  7.581   -4.699  1.00 32.34 ? 39  LYS   A C   1 
ATOM   292  O O   . LYS   A 1 39  ? 12.451  8.441   -4.021  1.00 34.37 ? 39  LYS   A O   1 
ATOM   293  C CB  . LYS   A 1 39  ? 12.045  5.180   -4.046  1.00 31.77 ? 39  LYS   A CB  1 
ATOM   294  C CG  . LYS   A 1 39  ? 13.514  5.472   -3.782  1.00 32.85 ? 39  LYS   A CG  1 
ATOM   295  C CD  . LYS   A 1 39  ? 13.749  5.867   -2.338  1.00 36.22 ? 39  LYS   A CD  1 
ATOM   296  C CE  . LYS   A 1 39  ? 15.158  6.405   -2.144  1.00 39.98 ? 39  LYS   A CE  1 
ATOM   297  N NZ  . LYS   A 1 39  ? 15.832  5.703   -1.016  1.00 50.10 ? 39  LYS   A NZ  1 
ATOM   298  N N   . ILE   A 1 40  ? 11.857  7.614   -6.034  1.00 29.98 ? 40  ILE   A N   1 
ATOM   299  C CA  . ILE   A 1 40  ? 12.570  8.655   -6.765  1.00 35.53 ? 40  ILE   A CA  1 
ATOM   300  C C   . ILE   A 1 40  ? 12.011  10.035  -6.421  1.00 40.49 ? 40  ILE   A C   1 
ATOM   301  O O   . ILE   A 1 40  ? 12.770  10.987  -6.201  1.00 38.99 ? 40  ILE   A O   1 
ATOM   302  C CB  . ILE   A 1 40  ? 12.534  8.359   -8.277  1.00 32.80 ? 40  ILE   A CB  1 
ATOM   303  C CG1 . ILE   A 1 40  ? 13.446  7.161   -8.594  1.00 30.92 ? 40  ILE   A CG1 1 
ATOM   304  C CG2 . ILE   A 1 40  ? 12.949  9.585   -9.100  1.00 34.45 ? 40  ILE   A CG2 1 
ATOM   305  C CD1 . ILE   A 1 40  ? 13.098  6.452   -9.913  1.00 30.81 ? 40  ILE   A CD1 1 
ATOM   306  N N   . ARG   A 1 41  ? 10.687  10.155  -6.306  1.00 37.37 ? 41  ARG   A N   1 
ATOM   307  C CA  . ARG   A 1 41  ? 10.093  11.461  -6.026  1.00 38.85 ? 41  ARG   A CA  1 
ATOM   308  C C   . ARG   A 1 41  ? 9.998   11.805  -4.550  1.00 44.48 ? 41  ARG   A C   1 
ATOM   309  O O   . ARG   A 1 41  ? 10.066  12.987  -4.199  1.00 47.41 ? 41  ARG   A O   1 
ATOM   310  C CB  . ARG   A 1 41  ? 8.685   11.569  -6.611  1.00 36.82 ? 41  ARG   A CB  1 
ATOM   311  C CG  . ARG   A 1 41  ? 8.609   11.307  -8.067  1.00 46.62 ? 41  ARG   A CG  1 
ATOM   312  C CD  . ARG   A 1 41  ? 8.760   12.619  -8.831  1.00 50.73 ? 41  ARG   A CD  1 
ATOM   313  N NE  . ARG   A 1 41  ? 8.826   12.348  -10.259 1.00 54.99 ? 41  ARG   A NE  1 
ATOM   314  C CZ  . ARG   A 1 41  ? 9.932   12.411  -10.985 1.00 52.62 ? 41  ARG   A CZ  1 
ATOM   315  N NH1 . ARG   A 1 41  ? 11.082  12.800  -10.458 1.00 53.90 ? 41  ARG   A NH1 1 
ATOM   316  N NH2 . ARG   A 1 41  ? 9.887   12.053  -12.264 1.00 54.58 ? 41  ARG   A NH2 1 
ATOM   317  N N   . THR   A 1 42  ? 9.797   10.829  -3.676  1.00 39.29 ? 42  THR   A N   1 
ATOM   318  C CA  . THR   A 1 42  ? 9.573   11.135  -2.274  1.00 41.10 ? 42  THR   A CA  1 
ATOM   319  C C   . THR   A 1 42  ? 10.724  10.725  -1.377  1.00 41.58 ? 42  THR   A C   1 
ATOM   320  O O   . THR   A 1 42  ? 10.730  11.105  -0.199  1.00 45.52 ? 42  THR   A O   1 
ATOM   321  C CB  . THR   A 1 42  ? 8.287   10.465  -1.769  1.00 32.61 ? 42  THR   A CB  1 
ATOM   322  O OG1 . THR   A 1 42  ? 8.524   9.071   -1.551  1.00 34.12 ? 42  THR   A OG1 1 
ATOM   323  C CG2 . THR   A 1 42  ? 7.156   10.655  -2.759  1.00 38.36 ? 42  THR   A CG2 1 
ATOM   324  N N   . GLY   A 1 43  ? 11.691  9.967   -1.885  1.00 35.85 ? 43  GLY   A N   1 
ATOM   325  C CA  . GLY   A 1 43  ? 12.767  9.483   -1.052  1.00 32.90 ? 43  GLY   A CA  1 
ATOM   326  C C   . GLY   A 1 43  ? 12.422  8.291   -0.192  1.00 34.93 ? 43  GLY   A C   1 
ATOM   327  O O   . GLY   A 1 43  ? 13.311  7.755   0.478   1.00 38.14 ? 43  GLY   A O   1 
ATOM   328  N N   . ASN   A 1 44  ? 11.171  7.846   -0.200  1.00 34.95 ? 44  ASN   A N   1 
ATOM   329  C CA  . ASN   A 1 44  ? 10.723  6.733   0.622   1.00 34.25 ? 44  ASN   A CA  1 
ATOM   330  C C   . ASN   A 1 44  ? 10.562  5.502   -0.257  1.00 32.35 ? 44  ASN   A C   1 
ATOM   331  O O   . ASN   A 1 44  ? 9.890   5.562   -1.290  1.00 32.27 ? 44  ASN   A O   1 
ATOM   332  C CB  . ASN   A 1 44  ? 9.389   7.067   1.277   1.00 36.52 ? 44  ASN   A CB  1 
ATOM   333  C CG  . ASN   A 1 44  ? 9.510   8.192   2.243   1.00 41.91 ? 44  ASN   A CG  1 
ATOM   334  O OD1 . ASN   A 1 44  ? 10.445  8.235   3.040   1.00 44.55 ? 44  ASN   A OD1 1 
ATOM   335  N ND2 . ASN   A 1 44  ? 8.605   9.156   2.137   1.00 40.82 ? 44  ASN   A ND2 1 
ATOM   336  N N   . LEU   A 1 45  ? 11.155  4.397   0.168   1.00 35.99 ? 45  LEU   A N   1 
ATOM   337  C CA  . LEU   A 1 45  ? 10.979  3.107   -0.483  1.00 33.02 ? 45  LEU   A CA  1 
ATOM   338  C C   . LEU   A 1 45  ? 9.924   2.327   0.286   1.00 30.59 ? 45  LEU   A C   1 
ATOM   339  O O   . LEU   A 1 45  ? 10.143  1.958   1.448   1.00 29.75 ? 45  LEU   A O   1 
ATOM   340  C CB  . LEU   A 1 45  ? 12.286  2.335   -0.517  1.00 29.58 ? 45  LEU   A CB  1 
ATOM   341  C CG  . LEU   A 1 45  ? 12.175  1.054   -1.351  1.00 31.30 ? 45  LEU   A CG  1 
ATOM   342  C CD1 . LEU   A 1 45  ? 11.827  1.378   -2.808  1.00 27.62 ? 45  LEU   A CD1 1 
ATOM   343  C CD2 . LEU   A 1 45  ? 13.424  0.202   -1.237  1.00 31.87 ? 45  LEU   A CD2 1 
ATOM   344  N N   . ASN   A 1 46  ? 8.786   2.087   -0.352  1.00 28.84 ? 46  ASN   A N   1 
ATOM   345  C CA  . ASN   A 1 46  ? 7.721   1.280   0.220   1.00 27.94 ? 46  ASN   A CA  1 
ATOM   346  C C   . ASN   A 1 46  ? 7.391   0.152   -0.737  1.00 28.36 ? 46  ASN   A C   1 
ATOM   347  O O   . ASN   A 1 46  ? 7.667   0.233   -1.930  1.00 29.06 ? 46  ASN   A O   1 
ATOM   348  C CB  . ASN   A 1 46  ? 6.454   2.094   0.472   1.00 34.87 ? 46  ASN   A CB  1 
ATOM   349  C CG  . ASN   A 1 46  ? 6.732   3.400   1.169   1.00 37.70 ? 46  ASN   A CG  1 
ATOM   350  O OD1 . ASN   A 1 46  ? 6.599   4.479   0.580   1.00 43.29 ? 46  ASN   A OD1 1 
ATOM   351  N ND2 . ASN   A 1 46  ? 7.144   3.311   2.420   1.00 38.10 ? 46  ASN   A ND2 1 
ATOM   352  N N   . GLU   A 1 47  ? 6.787   -0.898  -0.214  1.00 27.53 ? 47  GLU   A N   1 
ATOM   353  C CA  . GLU   A 1 47  ? 6.247   -1.938  -1.072  1.00 25.02 ? 47  GLU   A CA  1 
ATOM   354  C C   . GLU   A 1 47  ? 4.762   -1.706  -1.272  1.00 26.53 ? 47  GLU   A C   1 
ATOM   355  O O   . GLU   A 1 47  ? 4.039   -1.418  -0.318  1.00 26.68 ? 47  GLU   A O   1 
ATOM   356  C CB  . GLU   A 1 47  ? 6.484   -3.316  -0.471  1.00 24.04 ? 47  GLU   A CB  1 
ATOM   357  C CG  . GLU   A 1 47  ? 7.947   -3.655  -0.443  1.00 25.03 ? 47  GLU   A CG  1 
ATOM   358  C CD  . GLU   A 1 47  ? 8.190   -4.991  0.184   1.00 31.33 ? 47  GLU   A CD  1 
ATOM   359  O OE1 . GLU   A 1 47  ? 7.550   -5.277  1.217   1.00 36.18 ? 47  GLU   A OE1 1 
ATOM   360  O OE2 . GLU   A 1 47  ? 8.995   -5.765  -0.366  1.00 27.80 ? 47  GLU   A OE2 1 
ATOM   361  N N   . TYR   A 1 48  ? 4.308   -1.875  -2.502  1.00 21.39 ? 48  TYR   A N   1 
ATOM   362  C CA  . TYR   A 1 48  ? 2.909   -1.681  -2.840  1.00 20.75 ? 48  TYR   A CA  1 
ATOM   363  C C   . TYR   A 1 48  ? 2.309   -3.004  -3.279  1.00 25.16 ? 48  TYR   A C   1 
ATOM   364  O O   . TYR   A 1 48  ? 3.016   -3.993  -3.495  1.00 22.82 ? 48  TYR   A O   1 
ATOM   365  C CB  . TYR   A 1 48  ? 2.755   -0.599  -3.913  1.00 22.97 ? 48  TYR   A CB  1 
ATOM   366  C CG  . TYR   A 1 48  ? 3.207   0.725   -3.371  1.00 32.42 ? 48  TYR   A CG  1 
ATOM   367  C CD1 . TYR   A 1 48  ? 2.446   1.401   -2.424  1.00 29.24 ? 48  TYR   A CD1 1 
ATOM   368  C CD2 . TYR   A 1 48  ? 4.438   1.265   -3.741  1.00 27.48 ? 48  TYR   A CD2 1 
ATOM   369  C CE1 . TYR   A 1 48  ? 2.864   2.601   -1.900  1.00 28.22 ? 48  TYR   A CE1 1 
ATOM   370  C CE2 . TYR   A 1 48  ? 4.867   2.462   -3.226  1.00 25.03 ? 48  TYR   A CE2 1 
ATOM   371  C CZ  . TYR   A 1 48  ? 4.074   3.125   -2.295  1.00 33.51 ? 48  TYR   A CZ  1 
ATOM   372  O OH  . TYR   A 1 48  ? 4.499   4.324   -1.770  1.00 34.04 ? 48  TYR   A OH  1 
ATOM   373  N N   . SER   A 1 49  ? 0.981   -3.006  -3.383  1.00 25.21 ? 49  SER   A N   1 
ATOM   374  C CA  . SER   A 1 49  ? 0.194   -4.232  -3.486  1.00 23.68 ? 49  SER   A CA  1 
ATOM   375  C C   . SER   A 1 49  ? 0.020   -4.694  -4.921  1.00 22.27 ? 49  SER   A C   1 
ATOM   376  O O   . SER   A 1 49  ? -0.816  -4.159  -5.654  1.00 24.06 ? 49  SER   A O   1 
ATOM   377  C CB  . SER   A 1 49  ? -1.184  -4.036  -2.863  1.00 21.01 ? 49  SER   A CB  1 
ATOM   378  O OG  . SER   A 1 49  ? -1.869  -5.265  -2.887  1.00 23.43 ? 49  SER   A OG  1 
ATOM   379  N N   . GLU   A 1 50  ? 0.729   -5.764  -5.287  1.00 23.96 ? 50  GLU   A N   1 
ATOM   380  C CA  . GLU   A 1 50  ? 0.381   -6.501  -6.500  1.00 22.80 ? 50  GLU   A CA  1 
ATOM   381  C C   . GLU   A 1 50  ? -1.033  -7.052  -6.421  1.00 23.93 ? 50  GLU   A C   1 
ATOM   382  O O   . GLU   A 1 50  ? -1.748  -7.115  -7.430  1.00 21.62 ? 50  GLU   A O   1 
ATOM   383  C CB  . GLU   A 1 50  ? 1.370   -7.649  -6.717  1.00 22.99 ? 50  GLU   A CB  1 
ATOM   384  C CG  . GLU   A 1 50  ? 2.815   -7.182  -6.832  1.00 22.73 ? 50  GLU   A CG  1 
ATOM   385  C CD  . GLU   A 1 50  ? 3.522   -7.087  -5.503  1.00 25.18 ? 50  GLU   A CD  1 
ATOM   386  O OE1 . GLU   A 1 50  ? 2.891   -7.334  -4.443  1.00 24.44 ? 50  GLU   A OE1 1 
ATOM   387  O OE2 . GLU   A 1 50  ? 4.727   -6.746  -5.522  1.00 29.84 ? 50  GLU   A OE2 1 
ATOM   388  N N   . GLN   A 1 51  ? -1.436  -7.499  -5.230  1.00 22.32 ? 51  GLN   A N   1 
ATOM   389  C CA  . GLN   A 1 51  ? -2.733  -8.145  -5.073  1.00 25.07 ? 51  GLN   A CA  1 
ATOM   390  C C   . GLN   A 1 51  ? -3.858  -7.192  -5.425  1.00 21.52 ? 51  GLN   A C   1 
ATOM   391  O O   . GLN   A 1 51  ? -4.859  -7.584  -6.040  1.00 23.98 ? 51  GLN   A O   1 
ATOM   392  C CB  . GLN   A 1 51  ? -2.902  -8.627  -3.625  1.00 22.59 ? 51  GLN   A CB  1 
ATOM   393  C CG  . GLN   A 1 51  ? -4.233  -9.325  -3.393  1.00 21.48 ? 51  GLN   A CG  1 
ATOM   394  C CD  . GLN   A 1 51  ? -4.238  -10.692 -4.014  1.00 23.23 ? 51  GLN   A CD  1 
ATOM   395  O OE1 . GLN   A 1 51  ? -3.215  -11.368 -4.022  1.00 24.18 ? 51  GLN   A OE1 1 
ATOM   396  N NE2 . GLN   A 1 51  ? -5.381  -11.105 -4.567  1.00 25.84 ? 51  GLN   A NE2 1 
ATOM   397  N N   . GLU   A 1 52  ? -3.731  -5.947  -4.986  1.00 20.90 ? 52  GLU   A N   1 
ATOM   398  C CA  . GLU   A 1 52  ? -4.750  -4.956  -5.275  1.00 24.88 ? 52  GLU   A CA  1 
ATOM   399  C C   . GLU   A 1 52  ? -4.963  -4.819  -6.768  1.00 25.96 ? 52  GLU   A C   1 
ATOM   400  O O   . GLU   A 1 52  ? -6.103  -4.776  -7.240  1.00 25.61 ? 52  GLU   A O   1 
ATOM   401  C CB  . GLU   A 1 52  ? -4.336  -3.627  -4.675  1.00 23.57 ? 52  GLU   A CB  1 
ATOM   402  C CG  . GLU   A 1 52  ? -5.375  -2.560  -4.841  1.00 24.97 ? 52  GLU   A CG  1 
ATOM   403  C CD  . GLU   A 1 52  ? -5.134  -1.489  -3.827  1.00 30.80 ? 52  GLU   A CD  1 
ATOM   404  O OE1 . GLU   A 1 52  ? -3.958  -1.320  -3.425  1.00 29.57 ? 52  GLU   A OE1 1 
ATOM   405  O OE2 . GLU   A 1 52  ? -6.106  -0.847  -3.392  1.00 39.12 ? 52  GLU   A OE2 1 
ATOM   406  N N   . LEU   A 1 53  ? -3.867  -4.743  -7.531  1.00 23.93 ? 53  LEU   A N   1 
ATOM   407  C CA  . LEU   A 1 53  ? -3.987  -4.660  -8.984  1.00 24.25 ? 53  LEU   A CA  1 
ATOM   408  C C   . LEU   A 1 53  ? -4.609  -5.921  -9.547  1.00 27.68 ? 53  LEU   A C   1 
ATOM   409  O O   . LEU   A 1 53  ? -5.511  -5.855  -10.392 1.00 29.92 ? 53  LEU   A O   1 
ATOM   410  C CB  . LEU   A 1 53  ? -2.617  -4.411  -9.610  1.00 23.23 ? 53  LEU   A CB  1 
ATOM   411  C CG  . LEU   A 1 53  ? -1.955  -3.108  -9.175  1.00 27.48 ? 53  LEU   A CG  1 
ATOM   412  C CD1 . LEU   A 1 53  ? -0.536  -3.054  -9.708  1.00 23.25 ? 53  LEU   A CD1 1 
ATOM   413  C CD2 . LEU   A 1 53  ? -2.775  -1.907  -9.677  1.00 28.44 ? 53  LEU   A CD2 1 
ATOM   414  N N   . LEU   A 1 54  ? -4.142  -7.079  -9.077  1.00 21.99 ? 54  LEU   A N   1 
ATOM   415  C CA  . LEU   A 1 54  ? -4.726  -8.356  -9.458  1.00 22.51 ? 54  LEU   A CA  1 
ATOM   416  C C   . LEU   A 1 54  ? -6.236  -8.352  -9.269  1.00 26.39 ? 54  LEU   A C   1 
ATOM   417  O O   . LEU   A 1 54  ? -6.990  -8.806  -10.134 1.00 25.20 ? 54  LEU   A O   1 
ATOM   418  C CB  . LEU   A 1 54  ? -4.124  -9.459  -8.590  1.00 20.58 ? 54  LEU   A CB  1 
ATOM   419  C CG  . LEU   A 1 54  ? -4.237  -10.934 -8.960  1.00 28.84 ? 54  LEU   A CG  1 
ATOM   420  C CD1 . LEU   A 1 54  ? -3.844  -11.165 -10.397 1.00 35.37 ? 54  LEU   A CD1 1 
ATOM   421  C CD2 . LEU   A 1 54  ? -3.436  -11.788 -7.977  1.00 27.33 ? 54  LEU   A CD2 1 
ATOM   422  N N   . ASP   A 1 55  ? -6.682  -7.885  -8.103  1.00 24.62 ? 55  ASP   A N   1 
ATOM   423  C CA  . ASP   A 1 55  ? -8.095  -7.909  -7.756  1.00 27.56 ? 55  ASP   A CA  1 
ATOM   424  C C   . ASP   A 1 55  ? -8.887  -6.828  -8.468  1.00 27.70 ? 55  ASP   A C   1 
ATOM   425  O O   . ASP   A 1 55  ? -10.059 -7.041  -8.796  1.00 29.29 ? 55  ASP   A O   1 
ATOM   426  C CB  . ASP   A 1 55  ? -8.266  -7.692  -6.257  1.00 25.86 ? 55  ASP   A CB  1 
ATOM   427  C CG  . ASP   A 1 55  ? -7.792  -8.864  -5.420  1.00 22.87 ? 55  ASP   A CG  1 
ATOM   428  O OD1 . ASP   A 1 55  ? -7.575  -9.969  -5.958  1.00 26.51 ? 55  ASP   A OD1 1 
ATOM   429  O OD2 . ASP   A 1 55  ? -7.660  -8.649  -4.201  1.00 25.76 ? 55  ASP   A OD2 1 
ATOM   430  N N   . CYS   A 1 56  ? -8.280  -5.669  -8.700  1.00 23.67 ? 56  CYS   A N   1 
ATOM   431  C CA  . CYS   A 1 56  ? -9.038  -4.463  -9.014  1.00 31.63 ? 56  CYS   A CA  1 
ATOM   432  C C   . CYS   A 1 56  ? -8.919  -3.980  -10.451 1.00 31.99 ? 56  CYS   A C   1 
ATOM   433  O O   . CYS   A 1 56  ? -9.708  -3.119  -10.851 1.00 29.41 ? 56  CYS   A O   1 
ATOM   434  C CB  . CYS   A 1 56  ? -8.612  -3.318  -8.087  1.00 29.16 ? 56  CYS   A CB  1 
ATOM   435  S SG  . CYS   A 1 56  ? -8.799  -3.738  -6.334  1.00 28.19 ? 56  CYS   A SG  1 
ATOM   436  N N   . ASP   A 1 57  ? -7.936  -4.450  -11.217 1.00 28.21 ? 57  ASP   A N   1 
ATOM   437  C CA  . ASP   A 1 57  ? -7.811  -4.016  -12.610 1.00 26.32 ? 57  ASP   A CA  1 
ATOM   438  C C   . ASP   A 1 57  ? -8.810  -4.821  -13.419 1.00 30.81 ? 57  ASP   A C   1 
ATOM   439  O O   . ASP   A 1 57  ? -8.579  -5.988  -13.736 1.00 30.23 ? 57  ASP   A O   1 
ATOM   440  C CB  . ASP   A 1 57  ? -6.382  -4.178  -13.117 1.00 24.87 ? 57  ASP   A CB  1 
ATOM   441  C CG  . ASP   A 1 57  ? -6.220  -3.776  -14.585 1.00 32.30 ? 57  ASP   A CG  1 
ATOM   442  O OD1 . ASP   A 1 57  ? -7.205  -3.316  -15.206 1.00 29.78 ? 57  ASP   A OD1 1 
ATOM   443  O OD2 . ASP   A 1 57  ? -5.101  -3.913  -15.122 1.00 30.75 ? 57  ASP   A OD2 1 
ATOM   444  N N   . ARG   A 1 58  ? -9.938  -4.180  -13.743 1.00 29.97 ? 58  ARG   A N   1 
ATOM   445  C CA  . ARG   A 1 58  ? -11.017 -4.825  -14.477 1.00 36.82 ? 58  ARG   A CA  1 
ATOM   446  C C   . ARG   A 1 58  ? -10.671 -5.074  -15.943 1.00 33.38 ? 58  ARG   A C   1 
ATOM   447  O O   . ARG   A 1 58  ? -11.368 -5.855  -16.602 1.00 36.63 ? 58  ARG   A O   1 
ATOM   448  C CB  . ARG   A 1 58  ? -12.263 -3.950  -14.365 1.00 33.30 ? 58  ARG   A CB  1 
ATOM   449  C CG  . ARG   A 1 58  ? -12.924 -4.061  -13.002 1.00 37.85 ? 58  ARG   A CG  1 
ATOM   450  C CD  . ARG   A 1 58  ? -14.115 -3.129  -12.872 1.00 42.61 ? 58  ARG   A CD  1 
ATOM   451  N NE  . ARG   A 1 58  ? -13.673 -1.763  -12.594 1.00 38.49 ? 58  ARG   A NE  1 
ATOM   452  C CZ  . ARG   A 1 58  ? -14.482 -0.724  -12.413 1.00 48.25 ? 58  ARG   A CZ  1 
ATOM   453  N NH1 . ARG   A 1 58  ? -15.801 -0.868  -12.370 1.00 44.91 ? 58  ARG   A NH1 1 
ATOM   454  N NH2 . ARG   A 1 58  ? -13.956 0.488   -12.242 1.00 42.67 ? 58  ARG   A NH2 1 
ATOM   455  N N   . ARG   A 1 59  ? -9.633  -4.416  -16.478 1.00 29.74 ? 59  ARG   A N   1 
ATOM   456  C CA  . ARG   A 1 59  ? -9.223  -4.687  -17.854 1.00 28.64 ? 59  ARG   A CA  1 
ATOM   457  C C   . ARG   A 1 59  ? -8.319  -5.897  -17.957 1.00 38.12 ? 59  ARG   A C   1 
ATOM   458  O O   . ARG   A 1 59  ? -8.125  -6.416  -19.059 1.00 34.64 ? 59  ARG   A O   1 
ATOM   459  C CB  . ARG   A 1 59  ? -8.482  -3.513  -18.487 1.00 35.81 ? 59  ARG   A CB  1 
ATOM   460  C CG  . ARG   A 1 59  ? -9.299  -2.275  -18.779 1.00 47.28 ? 59  ARG   A CG  1 
ATOM   461  C CD  . ARG   A 1 59  ? -8.355  -1.091  -18.955 1.00 45.05 ? 59  ARG   A CD  1 
ATOM   462  N NE  . ARG   A 1 59  ? -8.956  0.185   -18.589 1.00 58.17 ? 59  ARG   A NE  1 
ATOM   463  C CZ  . ARG   A 1 59  ? -9.625  0.955   -19.435 1.00 62.34 ? 59  ARG   A CZ  1 
ATOM   464  N NH1 . ARG   A 1 59  ? -9.826  0.583   -20.691 1.00 53.76 ? 59  ARG   A NH1 1 
ATOM   465  N NH2 . ARG   A 1 59  ? -10.101 2.128   -19.013 1.00 58.32 ? 59  ARG   A NH2 1 
ATOM   466  N N   . SER   A 1 60  ? -7.734  -6.329  -16.850 1.00 31.27 ? 60  SER   A N   1 
ATOM   467  C CA  . SER   A 1 60  ? -6.874  -7.491  -16.855 1.00 30.01 ? 60  SER   A CA  1 
ATOM   468  C C   . SER   A 1 60  ? -7.686  -8.699  -16.421 1.00 30.27 ? 60  SER   A C   1 
ATOM   469  O O   . SER   A 1 60  ? -8.872  -8.602  -16.090 1.00 30.83 ? 60  SER   A O   1 
ATOM   470  C CB  . SER   A 1 60  ? -5.655  -7.247  -15.962 1.00 24.99 ? 60  SER   A CB  1 
ATOM   471  O OG  . SER   A 1 60  ? -4.813  -6.268  -16.555 1.00 30.25 ? 60  SER   A OG  1 
ATOM   472  N N   . TYR   A 1 61  ? -7.054  -9.864  -16.446 1.00 33.41 ? 61  TYR   A N   1 
ATOM   473  C CA  . TYR   A 1 61  ? -7.775  -11.103 -16.206 1.00 34.84 ? 61  TYR   A CA  1 
ATOM   474  C C   . TYR   A 1 61  ? -7.175  -11.873 -15.044 1.00 31.76 ? 61  TYR   A C   1 
ATOM   475  O O   . TYR   A 1 61  ? -7.074  -13.103 -15.069 1.00 31.71 ? 61  TYR   A O   1 
ATOM   476  C CB  . TYR   A 1 61  ? -7.846  -11.956 -17.468 1.00 35.43 ? 61  TYR   A CB  1 
ATOM   477  C CG  . TYR   A 1 61  ? -7.987  -11.147 -18.736 1.00 41.68 ? 61  TYR   A CG  1 
ATOM   478  C CD1 . TYR   A 1 61  ? -9.243  -10.898 -19.283 1.00 49.91 ? 61  TYR   A CD1 1 
ATOM   479  C CD2 . TYR   A 1 61  ? -6.873  -10.649 -19.399 1.00 44.98 ? 61  TYR   A CD2 1 
ATOM   480  C CE1 . TYR   A 1 61  ? -9.388  -10.152 -20.449 1.00 44.95 ? 61  TYR   A CE1 1 
ATOM   481  C CE2 . TYR   A 1 61  ? -7.006  -9.913  -20.566 1.00 51.23 ? 61  TYR   A CE2 1 
ATOM   482  C CZ  . TYR   A 1 61  ? -8.263  -9.667  -21.085 1.00 50.89 ? 61  TYR   A CZ  1 
ATOM   483  O OH  . TYR   A 1 61  ? -8.384  -8.934  -22.248 1.00 63.62 ? 61  TYR   A OH  1 
ATOM   484  N N   . GLY   A 1 62  ? -6.774  -11.140 -14.014 1.00 30.27 ? 62  GLY   A N   1 
ATOM   485  C CA  . GLY   A 1 62  ? -6.395  -11.782 -12.770 1.00 28.75 ? 62  GLY   A CA  1 
ATOM   486  C C   . GLY   A 1 62  ? -5.176  -12.643 -12.962 1.00 31.50 ? 62  GLY   A C   1 
ATOM   487  O O   . GLY   A 1 62  ? -4.167  -12.223 -13.539 1.00 27.93 ? 62  GLY   A O   1 
ATOM   488  N N   . CYS   A 1 63  ? -5.257  -13.868 -12.461 1.00 26.76 ? 63  CYS   A N   1 
ATOM   489  C CA  . CYS   A 1 63  ? -4.162  -14.805 -12.633 1.00 24.81 ? 63  CYS   A CA  1 
ATOM   490  C C   . CYS   A 1 63  ? -4.076  -15.344 -14.050 1.00 30.79 ? 63  CYS   A C   1 
ATOM   491  O O   . CYS   A 1 63  ? -3.121  -16.062 -14.360 1.00 33.12 ? 63  CYS   A O   1 
ATOM   492  C CB  . CYS   A 1 63  ? -4.317  -15.967 -11.651 1.00 26.93 ? 63  CYS   A CB  1 
ATOM   493  S SG  . CYS   A 1 63  ? -4.055  -15.409 -9.952  1.00 29.72 ? 63  CYS   A SG  1 
ATOM   494  N N   . ASN   A 1 64  ? -5.049  -15.048 -14.904 1.00 30.43 ? 64  ASN   A N   1 
ATOM   495  C CA  . ASN   A 1 64  ? -4.943  -15.441 -16.306 1.00 34.33 ? 64  ASN   A CA  1 
ATOM   496  C C   . ASN   A 1 64  ? -4.155  -14.444 -17.125 1.00 32.50 ? 64  ASN   A C   1 
ATOM   497  O O   . ASN   A 1 64  ? -4.069  -14.588 -18.343 1.00 34.14 ? 64  ASN   A O   1 
ATOM   498  C CB  . ASN   A 1 64  ? -6.334  -15.630 -16.914 1.00 37.65 ? 64  ASN   A CB  1 
ATOM   499  C CG  . ASN   A 1 64  ? -7.060  -16.809 -16.316 1.00 44.57 ? 64  ASN   A CG  1 
ATOM   500  O OD1 . ASN   A 1 64  ? -6.437  -17.798 -15.941 1.00 43.08 ? 64  ASN   A OD1 1 
ATOM   501  N ND2 . ASN   A 1 64  ? -8.378  -16.706 -16.202 1.00 52.78 ? 64  ASN   A ND2 1 
ATOM   502  N N   . GLY   A 1 65  ? -3.582  -13.444 -16.492 1.00 31.70 ? 65  GLY   A N   1 
ATOM   503  C CA  . GLY   A 1 65  ? -2.755  -12.482 -17.185 1.00 28.05 ? 65  GLY   A CA  1 
ATOM   504  C C   . GLY   A 1 65  ? -3.434  -11.129 -17.250 1.00 30.37 ? 65  GLY   A C   1 
ATOM   505  O O   . GLY   A 1 65  ? -4.584  -10.948 -16.843 1.00 33.66 ? 65  GLY   A O   1 
ATOM   506  N N   . GLY   A 1 66  ? -2.686  -10.175 -17.781 1.00 27.82 ? 66  GLY   A N   1 
ATOM   507  C CA  . GLY   A 1 66  ? -3.208  -8.838  -17.912 1.00 30.73 ? 66  GLY   A CA  1 
ATOM   508  C C   . GLY   A 1 66  ? -2.178  -7.907  -18.485 1.00 32.85 ? 66  GLY   A C   1 
ATOM   509  O O   . GLY   A 1 66  ? -1.196  -8.330  -19.099 1.00 32.72 ? 66  GLY   A O   1 
ATOM   510  N N   . TYR   A 1 67  ? -2.402  -6.621  -18.246 1.00 28.11 ? 67  TYR   A N   1 
ATOM   511  C CA  . TYR   A 1 67  ? -1.681  -5.572  -18.947 1.00 29.36 ? 67  TYR   A CA  1 
ATOM   512  C C   . TYR   A 1 67  ? -1.006  -4.656  -17.943 1.00 29.77 ? 67  TYR   A C   1 
ATOM   513  O O   . TYR   A 1 67  ? -1.699  -4.038  -17.104 1.00 29.80 ? 67  TYR   A O   1 
ATOM   514  C CB  . TYR   A 1 67  ? -2.618  -4.784  -19.852 1.00 28.25 ? 67  TYR   A CB  1 
ATOM   515  C CG  . TYR   A 1 67  ? -3.443  -5.677  -20.710 1.00 32.31 ? 67  TYR   A CG  1 
ATOM   516  C CD1 . TYR   A 1 67  ? -2.894  -6.237  -21.858 1.00 36.09 ? 67  TYR   A CD1 1 
ATOM   517  C CD2 . TYR   A 1 67  ? -4.774  -5.943  -20.405 1.00 34.44 ? 67  TYR   A CD2 1 
ATOM   518  C CE1 . TYR   A 1 67  ? -3.633  -7.064  -22.665 1.00 38.51 ? 67  TYR   A CE1 1 
ATOM   519  C CE2 . TYR   A 1 67  ? -5.531  -6.770  -21.215 1.00 39.34 ? 67  TYR   A CE2 1 
ATOM   520  C CZ  . TYR   A 1 67  ? -4.950  -7.326  -22.347 1.00 41.21 ? 67  TYR   A CZ  1 
ATOM   521  O OH  . TYR   A 1 67  ? -5.679  -8.156  -23.164 1.00 40.99 ? 67  TYR   A OH  1 
ATOM   522  N N   . PRO   A 1 68  ? 0.318   -4.548  -17.981 1.00 24.53 ? 68  PRO   A N   1 
ATOM   523  C CA  . PRO   A 1 68  ? 0.994   -3.532  -17.161 1.00 28.30 ? 68  PRO   A CA  1 
ATOM   524  C C   . PRO   A 1 68  ? 0.414   -2.136  -17.343 1.00 29.52 ? 68  PRO   A C   1 
ATOM   525  O O   . PRO   A 1 68  ? 0.281   -1.389  -16.362 1.00 29.45 ? 68  PRO   A O   1 
ATOM   526  C CB  . PRO   A 1 68  ? 2.450   -3.614  -17.653 1.00 30.96 ? 68  PRO   A CB  1 
ATOM   527  C CG  . PRO   A 1 68  ? 2.597   -5.028  -18.121 1.00 31.98 ? 68  PRO   A CG  1 
ATOM   528  C CD  . PRO   A 1 68  ? 1.265   -5.378  -18.749 1.00 30.23 ? 68  PRO   A CD  1 
ATOM   529  N N   A TRP   A 1 69  ? 0.088   -1.748  -18.578 0.68 29.69 ? 69  TRP   A N   1 
ATOM   530  N N   B TRP   A 1 69  ? 0.032   -1.774  -18.572 0.32 29.71 ? 69  TRP   A N   1 
ATOM   531  C CA  A TRP   A 1 69  ? -0.375  -0.383  -18.797 0.68 30.11 ? 69  TRP   A CA  1 
ATOM   532  C CA  B TRP   A 1 69  ? -0.483  -0.429  -18.811 0.32 30.16 ? 69  TRP   A CA  1 
ATOM   533  C C   A TRP   A 1 69  ? -1.721  -0.150  -18.124 0.68 29.23 ? 69  TRP   A C   1 
ATOM   534  C C   B TRP   A 1 69  ? -1.785  -0.201  -18.053 0.32 29.28 ? 69  TRP   A C   1 
ATOM   535  O O   A TRP   A 1 69  ? -1.967  0.926   -17.571 0.68 30.50 ? 69  TRP   A O   1 
ATOM   536  O O   B TRP   A 1 69  ? -1.981  0.859   -17.447 0.32 30.54 ? 69  TRP   A O   1 
ATOM   537  C CB  A TRP   A 1 69  ? -0.425  -0.081  -20.299 0.68 31.18 ? 69  TRP   A CB  1 
ATOM   538  C CB  B TRP   A 1 69  ? -0.684  -0.195  -20.312 0.32 31.02 ? 69  TRP   A CB  1 
ATOM   539  C CG  A TRP   A 1 69  ? -1.188  -1.070  -21.115 0.68 30.10 ? 69  TRP   A CG  1 
ATOM   540  C CG  B TRP   A 1 69  ? -2.027  0.385   -20.658 0.32 34.17 ? 69  TRP   A CG  1 
ATOM   541  C CD1 A TRP   A 1 69  ? -0.678  -2.133  -21.802 0.68 32.03 ? 69  TRP   A CD1 1 
ATOM   542  C CD1 B TRP   A 1 69  ? -2.414  1.693   -20.537 0.32 34.57 ? 69  TRP   A CD1 1 
ATOM   543  C CD2 A TRP   A 1 69  ? -2.596  -1.079  -21.349 0.68 35.64 ? 69  TRP   A CD2 1 
ATOM   544  C CD2 B TRP   A 1 69  ? -3.165  -0.324  -21.159 0.32 35.41 ? 69  TRP   A CD2 1 
ATOM   545  N NE1 A TRP   A 1 69  ? -1.687  -2.815  -22.439 0.68 34.63 ? 69  TRP   A NE1 1 
ATOM   546  N NE1 B TRP   A 1 69  ? -3.719  1.838   -20.937 0.32 36.80 ? 69  TRP   A NE1 1 
ATOM   547  C CE2 A TRP   A 1 69  ? -2.875  -2.185  -22.180 0.68 34.53 ? 69  TRP   A CE2 1 
ATOM   548  C CE2 B TRP   A 1 69  ? -4.204  0.616   -21.324 0.32 35.66 ? 69  TRP   A CE2 1 
ATOM   549  C CE3 A TRP   A 1 69  ? -3.655  -0.261  -20.929 0.68 36.07 ? 69  TRP   A CE3 1 
ATOM   550  C CE3 B TRP   A 1 69  ? -3.405  -1.662  -21.492 0.32 34.75 ? 69  TRP   A CE3 1 
ATOM   551  C CZ2 A TRP   A 1 69  ? -4.167  -2.501  -22.597 0.68 36.39 ? 69  TRP   A CZ2 1 
ATOM   552  C CZ2 B TRP   A 1 69  ? -5.464  0.259   -21.804 0.32 36.84 ? 69  TRP   A CZ2 1 
ATOM   553  C CZ3 A TRP   A 1 69  ? -4.942  -0.575  -21.345 0.68 39.35 ? 69  TRP   A CZ3 1 
ATOM   554  C CZ3 B TRP   A 1 69  ? -4.655  -2.015  -21.966 0.32 35.77 ? 69  TRP   A CZ3 1 
ATOM   555  C CH2 A TRP   A 1 69  ? -5.185  -1.686  -22.172 0.68 37.33 ? 69  TRP   A CH2 1 
ATOM   556  C CH2 B TRP   A 1 69  ? -5.669  -1.059  -22.121 0.32 37.96 ? 69  TRP   A CH2 1 
ATOM   557  N N   A SER   A 1 70  ? -2.586  -1.158  -18.133 0.68 29.94 ? 70  SER   A N   1 
ATOM   558  N N   B SER   A 1 70  ? -2.685  -1.187  -18.067 0.32 30.05 ? 70  SER   A N   1 
ATOM   559  C CA  A SER   A 1 70  ? -3.861  -1.050  -17.435 0.68 31.07 ? 70  SER   A CA  1 
ATOM   560  C CA  B SER   A 1 70  ? -3.966  -1.016  -17.388 0.32 31.05 ? 70  SER   A CA  1 
ATOM   561  C C   A SER   A 1 70  ? -3.654  -0.886  -15.933 0.68 28.76 ? 70  SER   A C   1 
ATOM   562  C C   B SER   A 1 70  ? -3.803  -1.011  -15.873 0.32 28.92 ? 70  SER   A C   1 
ATOM   563  O O   A SER   A 1 70  ? -4.260  -0.018  -15.297 0.68 28.42 ? 70  SER   A O   1 
ATOM   564  O O   B SER   A 1 70  ? -4.590  -0.365  -15.171 0.32 28.04 ? 70  SER   A O   1 
ATOM   565  C CB  A SER   A 1 70  ? -4.710  -2.284  -17.729 0.68 29.15 ? 70  SER   A CB  1 
ATOM   566  C CB  B SER   A 1 70  ? -4.947  -2.109  -17.813 0.32 30.07 ? 70  SER   A CB  1 
ATOM   567  O OG  A SER   A 1 70  ? -6.023  -2.105  -17.247 0.68 35.61 ? 70  SER   A OG  1 
ATOM   568  O OG  B SER   A 1 70  ? -4.453  -3.401  -17.517 0.32 28.68 ? 70  SER   A OG  1 
ATOM   569  N N   . ALA   A 1 71  ? -2.807  -1.731  -15.348 1.00 27.85 ? 71  ALA   A N   1 
ATOM   570  C CA  . ALA   A 1 71  ? -2.528  -1.640  -13.922 1.00 25.12 ? 71  ALA   A CA  1 
ATOM   571  C C   . ALA   A 1 71  ? -1.957  -0.275  -13.577 1.00 27.10 ? 71  ALA   A C   1 
ATOM   572  O O   . ALA   A 1 71  ? -2.312  0.321   -12.552 1.00 26.08 ? 71  ALA   A O   1 
ATOM   573  C CB  . ALA   A 1 71  ? -1.555  -2.749  -13.517 1.00 26.51 ? 71  ALA   A CB  1 
ATOM   574  N N   . LEU   A 1 72  ? -1.070  0.240   -14.434 1.00 25.31 ? 72  LEU   A N   1 
ATOM   575  C CA  . LEU   A 1 72  ? -0.491  1.548   -14.175 1.00 31.69 ? 72  LEU   A CA  1 
ATOM   576  C C   . LEU   A 1 72  ? -1.560  2.617   -14.287 1.00 31.59 ? 72  LEU   A C   1 
ATOM   577  O O   . LEU   A 1 72  ? -1.549  3.608   -13.545 1.00 28.28 ? 72  LEU   A O   1 
ATOM   578  C CB  . LEU   A 1 72  ? 0.649   1.806   -15.154 1.00 27.27 ? 72  LEU   A CB  1 
ATOM   579  C CG  . LEU   A 1 72  ? 1.921   0.996   -14.836 1.00 31.31 ? 72  LEU   A CG  1 
ATOM   580  C CD1 . LEU   A 1 72  ? 3.037   1.269   -15.872 1.00 30.89 ? 72  LEU   A CD1 1 
ATOM   581  C CD2 . LEU   A 1 72  ? 2.393   1.274   -13.421 1.00 31.50 ? 72  LEU   A CD2 1 
ATOM   582  N N   A GLN   A 1 73  ? -2.495  2.432   -15.215 0.55 30.16 ? 73  GLN   A N   1 
ATOM   583  N N   B GLN   A 1 73  ? -2.500  2.432   -15.211 0.45 30.18 ? 73  GLN   A N   1 
ATOM   584  C CA  A GLN   A 1 73  ? -3.614  3.361   -15.328 0.55 32.27 ? 73  GLN   A CA  1 
ATOM   585  C CA  B GLN   A 1 73  ? -3.610  3.370   -15.326 0.45 32.28 ? 73  GLN   A CA  1 
ATOM   586  C C   A GLN   A 1 73  ? -4.433  3.378   -14.044 0.55 32.52 ? 73  GLN   A C   1 
ATOM   587  C C   B GLN   A 1 73  ? -4.446  3.378   -14.053 0.45 32.54 ? 73  GLN   A C   1 
ATOM   588  O O   A GLN   A 1 73  ? -4.759  4.445   -13.516 0.55 34.99 ? 73  GLN   A O   1 
ATOM   589  O O   B GLN   A 1 73  ? -4.788  4.445   -13.535 0.45 34.99 ? 73  GLN   A O   1 
ATOM   590  C CB  A GLN   A 1 73  ? -4.486  2.979   -16.524 0.55 33.32 ? 73  GLN   A CB  1 
ATOM   591  C CB  B GLN   A 1 73  ? -4.459  3.011   -16.545 0.45 33.32 ? 73  GLN   A CB  1 
ATOM   592  C CG  A GLN   A 1 73  ? -4.005  3.499   -17.872 0.55 37.18 ? 73  GLN   A CG  1 
ATOM   593  C CG  B GLN   A 1 73  ? -5.666  3.903   -16.774 0.45 35.31 ? 73  GLN   A CG  1 
ATOM   594  C CD  A GLN   A 1 73  ? -4.109  5.015   -17.996 0.55 41.18 ? 73  GLN   A CD  1 
ATOM   595  C CD  B GLN   A 1 73  ? -6.557  3.378   -17.888 0.45 42.61 ? 73  GLN   A CD  1 
ATOM   596  O OE1 A GLN   A 1 73  ? -4.488  5.714   -17.051 0.55 40.26 ? 73  GLN   A OE1 1 
ATOM   597  O OE1 B GLN   A 1 73  ? -7.781  3.497   -17.829 0.45 44.18 ? 73  GLN   A OE1 1 
ATOM   598  N NE2 A GLN   A 1 73  ? -3.800  5.524   -19.182 0.55 42.39 ? 73  GLN   A NE2 1 
ATOM   599  N NE2 B GLN   A 1 73  ? -5.939  2.787   -18.913 0.45 39.40 ? 73  GLN   A NE2 1 
ATOM   600  N N   . LEU   A 1 74  ? -4.740  2.194   -13.507 1.00 34.03 ? 74  LEU   A N   1 
ATOM   601  C CA  . LEU   A 1 74  ? -5.542  2.103   -12.288 1.00 32.95 ? 74  LEU   A CA  1 
ATOM   602  C C   . LEU   A 1 74  ? -4.886  2.840   -11.117 1.00 30.74 ? 74  LEU   A C   1 
ATOM   603  O O   . LEU   A 1 74  ? -5.566  3.516   -10.335 1.00 35.58 ? 74  LEU   A O   1 
ATOM   604  C CB  . LEU   A 1 74  ? -5.767  0.624   -11.965 1.00 30.71 ? 74  LEU   A CB  1 
ATOM   605  C CG  . LEU   A 1 74  ? -6.609  0.207   -10.765 1.00 38.84 ? 74  LEU   A CG  1 
ATOM   606  C CD1 . LEU   A 1 74  ? -8.074  0.475   -11.066 1.00 38.24 ? 74  LEU   A CD1 1 
ATOM   607  C CD2 . LEU   A 1 74  ? -6.399  -1.275  -10.481 1.00 36.85 ? 74  LEU   A CD2 1 
ATOM   608  N N   . VAL   A 1 75  ? -3.563  2.762   -11.002 1.00 26.88 ? 75  VAL   A N   1 
ATOM   609  C CA  . VAL   A 1 75  ? -2.889  3.463   -9.917  1.00 28.04 ? 75  VAL   A CA  1 
ATOM   610  C C   . VAL   A 1 75  ? -2.929  4.966   -10.155 1.00 32.08 ? 75  VAL   A C   1 
ATOM   611  O O   . VAL   A 1 75  ? -2.957  5.757   -9.202  1.00 33.81 ? 75  VAL   A O   1 
ATOM   612  C CB  . VAL   A 1 75  ? -1.452  2.934   -9.769  1.00 28.69 ? 75  VAL   A CB  1 
ATOM   613  C CG1 . VAL   A 1 75  ? -0.705  3.686   -8.700  1.00 29.77 ? 75  VAL   A CG1 1 
ATOM   614  C CG2 . VAL   A 1 75  ? -1.499  1.471   -9.443  1.00 29.95 ? 75  VAL   A CG2 1 
ATOM   615  N N   . ALA   A 1 76  ? -2.957  5.385   -11.423 1.00 34.84 ? 76  ALA   A N   1 
ATOM   616  C CA  . ALA   A 1 76  ? -3.079  6.810   -11.716 1.00 34.71 ? 76  ALA   A CA  1 
ATOM   617  C C   . ALA   A 1 76  ? -4.506  7.300   -11.485 1.00 39.12 ? 76  ALA   A C   1 
ATOM   618  O O   . ALA   A 1 76  ? -4.708  8.417   -10.995 1.00 40.47 ? 76  ALA   A O   1 
ATOM   619  C CB  . ALA   A 1 76  ? -2.639  7.090   -13.150 1.00 35.30 ? 76  ALA   A CB  1 
ATOM   620  N N   . GLN   A 1 77  ? -5.507  6.490   -11.839 1.00 35.39 ? 77  GLN   A N   1 
ATOM   621  C CA  . GLN   A 1 77  ? -6.894  6.873   -11.585 1.00 39.73 ? 77  GLN   A CA  1 
ATOM   622  C C   . GLN   A 1 77  ? -7.209  6.859   -10.095 1.00 41.16 ? 77  GLN   A C   1 
ATOM   623  O O   . GLN   A 1 77  ? -7.793  7.807   -9.564  1.00 41.41 ? 77  GLN   A O   1 
ATOM   624  C CB  . GLN   A 1 77  ? -7.864  5.944   -12.316 1.00 41.83 ? 77  GLN   A CB  1 
ATOM   625  C CG  . GLN   A 1 77  ? -7.493  5.575   -13.722 1.00 53.40 ? 77  GLN   A CG  1 
ATOM   626  C CD  . GLN   A 1 77  ? -8.639  5.721   -14.697 1.00 62.72 ? 77  GLN   A CD  1 
ATOM   627  O OE1 . GLN   A 1 77  ? -9.807  5.781   -14.296 1.00 71.55 ? 77  GLN   A OE1 1 
ATOM   628  N NE2 . GLN   A 1 77  ? -8.317  5.758   -15.987 1.00 56.57 ? 77  GLN   A NE2 1 
ATOM   629  N N   . TYR   A 1 78  ? -6.855  5.780   -9.405  1.00 37.38 ? 78  TYR   A N   1 
ATOM   630  C CA  . TYR   A 1 78  ? -7.302  5.581   -8.034  1.00 34.74 ? 78  TYR   A CA  1 
ATOM   631  C C   . TYR   A 1 78  ? -6.166  5.670   -7.033  1.00 38.65 ? 78  TYR   A C   1 
ATOM   632  O O   . TYR   A 1 78  ? -6.220  6.462   -6.092  1.00 48.09 ? 78  TYR   A O   1 
ATOM   633  C CB  . TYR   A 1 78  ? -8.009  4.224   -7.922  1.00 37.95 ? 78  TYR   A CB  1 
ATOM   634  C CG  . TYR   A 1 78  ? -9.257  4.176   -8.773  1.00 45.98 ? 78  TYR   A CG  1 
ATOM   635  C CD1 . TYR   A 1 78  ? -10.414 4.852   -8.394  1.00 54.00 ? 78  TYR   A CD1 1 
ATOM   636  C CD2 . TYR   A 1 78  ? -9.264  3.499   -9.979  1.00 45.33 ? 78  TYR   A CD2 1 
ATOM   637  C CE1 . TYR   A 1 78  ? -11.554 4.823   -9.186  1.00 52.58 ? 78  TYR   A CE1 1 
ATOM   638  C CE2 . TYR   A 1 78  ? -10.392 3.463   -10.779 1.00 56.03 ? 78  TYR   A CE2 1 
ATOM   639  C CZ  . TYR   A 1 78  ? -11.535 4.125   -10.381 1.00 59.47 ? 78  TYR   A CZ  1 
ATOM   640  O OH  . TYR   A 1 78  ? -12.650 4.081   -11.187 1.00 63.86 ? 78  TYR   A OH  1 
ATOM   641  N N   . GLY   A 1 79  ? -5.117  4.902   -7.237  1.00 29.01 ? 79  GLY   A N   1 
ATOM   642  C CA  . GLY   A 1 79  ? -4.060  4.782   -6.264  1.00 27.52 ? 79  GLY   A CA  1 
ATOM   643  C C   . GLY   A 1 79  ? -3.831  3.328   -5.914  1.00 29.36 ? 79  GLY   A C   1 
ATOM   644  O O   . GLY   A 1 79  ? -4.436  2.420   -6.481  1.00 27.39 ? 79  GLY   A O   1 
ATOM   645  N N   . ILE   A 1 80  ? -2.921  3.125   -4.972  1.00 28.18 ? 80  ILE   A N   1 
ATOM   646  C CA  . ILE   A 1 80  ? -2.494  1.794   -4.580  1.00 30.79 ? 80  ILE   A CA  1 
ATOM   647  C C   . ILE   A 1 80  ? -2.215  1.811   -3.088  1.00 29.97 ? 80  ILE   A C   1 
ATOM   648  O O   . ILE   A 1 80  ? -1.836  2.840   -2.513  1.00 30.92 ? 80  ILE   A O   1 
ATOM   649  C CB  . ILE   A 1 80  ? -1.249  1.342   -5.382  1.00 26.99 ? 80  ILE   A CB  1 
ATOM   650  C CG1 . ILE   A 1 80  ? -1.034  -0.169  -5.229  1.00 32.19 ? 80  ILE   A CG1 1 
ATOM   651  C CG2 . ILE   A 1 80  ? -0.011  2.143   -4.951  1.00 28.03 ? 80  ILE   A CG2 1 
ATOM   652  C CD1 . ILE   A 1 80  ? -0.159  -0.760  -6.320  1.00 31.28 ? 80  ILE   A CD1 1 
ATOM   653  N N   . HIS   A 1 81  ? -2.431  0.662   -2.459  1.00 25.44 ? 81  HIS   A N   1 
ATOM   654  C CA  . HIS   A 1 81  ? -2.205  0.485   -1.034  1.00 28.21 ? 81  HIS   A CA  1 
ATOM   655  C C   . HIS   A 1 81  ? -0.847  -0.155  -0.795  1.00 31.08 ? 81  HIS   A C   1 
ATOM   656  O O   . HIS   A 1 81  ? -0.262  -0.779  -1.684  1.00 26.85 ? 81  HIS   A O   1 
ATOM   657  C CB  . HIS   A 1 81  ? -3.299  -0.396  -0.444  1.00 28.28 ? 81  HIS   A CB  1 
ATOM   658  C CG  . HIS   A 1 81  ? -4.579  0.329   -0.216  1.00 27.33 ? 81  HIS   A CG  1 
ATOM   659  N ND1 . HIS   A 1 81  ? -5.601  0.331   -1.143  1.00 27.46 ? 81  HIS   A ND1 1 
ATOM   660  C CD2 . HIS   A 1 81  ? -5.022  1.047   0.843   1.00 31.35 ? 81  HIS   A CD2 1 
ATOM   661  C CE1 . HIS   A 1 81  ? -6.612  1.039   -0.671  1.00 36.12 ? 81  HIS   A CE1 1 
ATOM   662  N NE2 . HIS   A 1 81  ? -6.285  1.484   0.530   1.00 33.95 ? 81  HIS   A NE2 1 
ATOM   663  N N   . TYR   A 1 82  ? -0.363  -0.002  0.433   1.00 26.59 ? 82  TYR   A N   1 
ATOM   664  C CA  . TYR   A 1 82  ? 0.843   -0.695  0.855   1.00 24.82 ? 82  TYR   A CA  1 
ATOM   665  C C   . TYR   A 1 82  ? 0.668   -2.199  0.735   1.00 24.92 ? 82  TYR   A C   1 
ATOM   666  O O   . TYR   A 1 82  ? -0.418  -2.742  0.936   1.00 27.14 ? 82  TYR   A O   1 
ATOM   667  C CB  . TYR   A 1 82  ? 1.176   -0.345  2.297   1.00 25.01 ? 82  TYR   A CB  1 
ATOM   668  C CG  . TYR   A 1 82  ? 1.696   1.049   2.458   1.00 29.90 ? 82  TYR   A CG  1 
ATOM   669  C CD1 . TYR   A 1 82  ? 2.770   1.486   1.707   1.00 30.55 ? 82  TYR   A CD1 1 
ATOM   670  C CD2 . TYR   A 1 82  ? 1.119   1.930   3.376   1.00 33.49 ? 82  TYR   A CD2 1 
ATOM   671  C CE1 . TYR   A 1 82  ? 3.262   2.763   1.852   1.00 35.78 ? 82  TYR   A CE1 1 
ATOM   672  C CE2 . TYR   A 1 82  ? 1.606   3.219   3.527   1.00 36.08 ? 82  TYR   A CE2 1 
ATOM   673  C CZ  . TYR   A 1 82  ? 2.678   3.622   2.761   1.00 32.60 ? 82  TYR   A CZ  1 
ATOM   674  O OH  . TYR   A 1 82  ? 3.175   4.888   2.873   1.00 39.79 ? 82  TYR   A OH  1 
ATOM   675  N N   . ARG   A 1 83  ? 1.774   -2.879  0.448   1.00 23.79 ? 83  ARG   A N   1 
ATOM   676  C CA  . ARG   A 1 83  ? 1.736   -4.333  0.368   1.00 25.20 ? 83  ARG   A CA  1 
ATOM   677  C C   . ARG   A 1 83  ? 1.287   -4.969  1.687   1.00 25.76 ? 83  ARG   A C   1 
ATOM   678  O O   . ARG   A 1 83  ? 0.526   -5.941  1.681   1.00 25.10 ? 83  ARG   A O   1 
ATOM   679  C CB  . ARG   A 1 83  ? 3.104   -4.856  -0.044  1.00 24.46 ? 83  ARG   A CB  1 
ATOM   680  C CG  . ARG   A 1 83  ? 3.066   -6.286  -0.517  1.00 22.94 ? 83  ARG   A CG  1 
ATOM   681  C CD  . ARG   A 1 83  ? 4.351   -6.638  -1.233  1.00 27.69 ? 83  ARG   A CD  1 
ATOM   682  N NE  . ARG   A 1 83  ? 4.152   -7.735  -2.174  1.00 26.62 ? 83  ARG   A NE  1 
ATOM   683  C CZ  . ARG   A 1 83  ? 4.573   -8.981  -2.004  1.00 27.11 ? 83  ARG   A CZ  1 
ATOM   684  N NH1 . ARG   A 1 83  ? 5.268   -9.345  -0.938  1.00 26.03 ? 83  ARG   A NH1 1 
ATOM   685  N NH2 . ARG   A 1 83  ? 4.307   -9.878  -2.942  1.00 25.54 ? 83  ARG   A NH2 1 
ATOM   686  N N   . ASN   A 1 84  ? 1.747   -4.461  2.833   1.00 29.30 ? 84  ASN   A N   1 
ATOM   687  C CA  . ASN   A 1 84  ? 1.344   -5.164  4.055   1.00 31.52 ? 84  ASN   A CA  1 
ATOM   688  C C   . ASN   A 1 84  ? -0.123  -4.920  4.393   1.00 32.31 ? 84  ASN   A C   1 
ATOM   689  O O   . ASN   A 1 84  ? -0.727  -5.737  5.092   1.00 34.96 ? 84  ASN   A O   1 
ATOM   690  C CB  . ASN   A 1 84  ? 2.259   -4.816  5.237   1.00 39.45 ? 84  ASN   A CB  1 
ATOM   691  C CG  . ASN   A 1 84  ? 2.325   -3.339  5.525   1.00 48.90 ? 84  ASN   A CG  1 
ATOM   692  O OD1 . ASN   A 1 84  ? 1.331   -2.623  5.421   1.00 50.95 ? 84  ASN   A OD1 1 
ATOM   693  N ND2 . ASN   A 1 84  ? 3.510   -2.869  5.904   1.00 63.95 ? 84  ASN   A ND2 1 
ATOM   694  N N   . THR   A 1 85  ? -0.722  -3.845  3.866   1.00 29.73 ? 85  THR   A N   1 
ATOM   695  C CA  . THR   A 1 85  ? -2.153  -3.618  4.041   1.00 28.32 ? 85  THR   A CA  1 
ATOM   696  C C   . THR   A 1 85  ? -2.967  -4.553  3.153   1.00 26.32 ? 85  THR   A C   1 
ATOM   697  O O   . THR   A 1 85  ? -4.104  -4.913  3.480   1.00 28.19 ? 85  THR   A O   1 
ATOM   698  C CB  . THR   A 1 85  ? -2.473  -2.155  3.695   1.00 29.43 ? 85  THR   A CB  1 
ATOM   699  O OG1 . THR   A 1 85  ? -1.742  -1.291  4.570   1.00 35.13 ? 85  THR   A OG1 1 
ATOM   700  C CG2 . THR   A 1 85  ? -3.964  -1.863  3.820   1.00 37.39 ? 85  THR   A CG2 1 
ATOM   701  N N   . TYR   A 1 86  ? -2.395  -4.954  2.027   1.00 27.12 ? 86  TYR   A N   1 
ATOM   702  C CA  . TYR   A 1 86  ? -3.115  -5.674  0.979   1.00 23.94 ? 86  TYR   A CA  1 
ATOM   703  C C   . TYR   A 1 86  ? -2.164  -6.729  0.447   1.00 26.44 ? 86  TYR   A C   1 
ATOM   704  O O   . TYR   A 1 86  ? -1.692  -6.657  -0.695  1.00 23.64 ? 86  TYR   A O   1 
ATOM   705  C CB  . TYR   A 1 86  ? -3.578  -4.686  -0.097  1.00 23.69 ? 86  TYR   A CB  1 
ATOM   706  C CG  . TYR   A 1 86  ? -4.770  -5.102  -0.935  1.00 23.48 ? 86  TYR   A CG  1 
ATOM   707  C CD1 . TYR   A 1 86  ? -5.019  -6.433  -1.235  1.00 22.77 ? 86  TYR   A CD1 1 
ATOM   708  C CD2 . TYR   A 1 86  ? -5.638  -4.138  -1.452  1.00 26.10 ? 86  TYR   A CD2 1 
ATOM   709  C CE1 . TYR   A 1 86  ? -6.102  -6.795  -2.002  1.00 25.74 ? 86  TYR   A CE1 1 
ATOM   710  C CE2 . TYR   A 1 86  ? -6.724  -4.492  -2.217  1.00 24.35 ? 86  TYR   A CE2 1 
ATOM   711  C CZ  . TYR   A 1 86  ? -6.953  -5.820  -2.486  1.00 27.77 ? 86  TYR   A CZ  1 
ATOM   712  O OH  . TYR   A 1 86  ? -8.014  -6.173  -3.270  1.00 26.13 ? 86  TYR   A OH  1 
ATOM   713  N N   . PRO   A 1 87  ? -1.834  -7.721  1.268   1.00 24.24 ? 87  PRO   A N   1 
ATOM   714  C CA  . PRO   A 1 87  ? -0.752  -8.639  0.906   1.00 24.58 ? 87  PRO   A CA  1 
ATOM   715  C C   . PRO   A 1 87  ? -1.130  -9.569  -0.227  1.00 24.32 ? 87  PRO   A C   1 
ATOM   716  O O   . PRO   A 1 87  ? -2.299  -9.753  -0.577  1.00 23.43 ? 87  PRO   A O   1 
ATOM   717  C CB  . PRO   A 1 87  ? -0.481  -9.412  2.205   1.00 25.27 ? 87  PRO   A CB  1 
ATOM   718  C CG  . PRO   A 1 87  ? -1.745  -9.327  2.976   1.00 24.45 ? 87  PRO   A CG  1 
ATOM   719  C CD  . PRO   A 1 87  ? -2.366  -7.998  2.624   1.00 25.39 ? 87  PRO   A CD  1 
ATOM   720  N N   . TYR   A 1 88  ? -0.093  -10.150 -0.810  1.00 23.92 ? 88  TYR   A N   1 
ATOM   721  C CA  . TYR   A 1 88  ? -0.240  -11.010 -1.968  1.00 24.79 ? 88  TYR   A CA  1 
ATOM   722  C C   . TYR   A 1 88  ? -0.761  -12.362 -1.529  1.00 24.56 ? 88  TYR   A C   1 
ATOM   723  O O   . TYR   A 1 88  ? -0.208  -12.984 -0.618  1.00 26.71 ? 88  TYR   A O   1 
ATOM   724  C CB  . TYR   A 1 88  ? 1.103   -11.182 -2.662  1.00 22.90 ? 88  TYR   A CB  1 
ATOM   725  C CG  . TYR   A 1 88  ? 1.008   -11.930 -3.948  1.00 23.97 ? 88  TYR   A CG  1 
ATOM   726  C CD1 . TYR   A 1 88  ? 0.230   -11.449 -4.998  1.00 26.82 ? 88  TYR   A CD1 1 
ATOM   727  C CD2 . TYR   A 1 88  ? 1.691   -13.124 -4.128  1.00 23.51 ? 88  TYR   A CD2 1 
ATOM   728  C CE1 . TYR   A 1 88  ? 0.143   -12.141 -6.200  1.00 25.99 ? 88  TYR   A CE1 1 
ATOM   729  C CE2 . TYR   A 1 88  ? 1.612   -13.812 -5.322  1.00 24.37 ? 88  TYR   A CE2 1 
ATOM   730  C CZ  . TYR   A 1 88  ? 0.845   -13.313 -6.357  1.00 25.03 ? 88  TYR   A CZ  1 
ATOM   731  O OH  . TYR   A 1 88  ? 0.775   -13.999 -7.552  1.00 22.65 ? 88  TYR   A OH  1 
ATOM   732  N N   . GLU   A 1 89  ? -1.828  -12.805 -2.160  1.00 24.74 ? 89  GLU   A N   1 
ATOM   733  C CA  . GLU   A 1 89  ? -2.387  -14.106 -1.863  1.00 24.52 ? 89  GLU   A CA  1 
ATOM   734  C C   . GLU   A 1 89  ? -2.263  -15.074 -3.023  1.00 25.45 ? 89  GLU   A C   1 
ATOM   735  O O   . GLU   A 1 89  ? -2.491  -16.273 -2.828  1.00 29.91 ? 89  GLU   A O   1 
ATOM   736  C CB  . GLU   A 1 89  ? -3.861  -13.980 -1.454  1.00 27.44 ? 89  GLU   A CB  1 
ATOM   737  C CG  . GLU   A 1 89  ? -4.157  -12.708 -0.704  1.00 25.72 ? 89  GLU   A CG  1 
ATOM   738  C CD  . GLU   A 1 89  ? -5.561  -12.650 -0.176  1.00 24.84 ? 89  GLU   A CD  1 
ATOM   739  O OE1 . GLU   A 1 89  ? -6.140  -13.698 0.180   1.00 27.79 ? 89  GLU   A OE1 1 
ATOM   740  O OE2 . GLU   A 1 89  ? -6.133  -11.553 -0.246  1.00 26.57 ? 89  GLU   A OE2 1 
ATOM   741  N N   . GLY   A 1 90  ? -1.879  -14.594 -4.201  1.00 24.79 ? 90  GLY   A N   1 
ATOM   742  C CA  . GLY   A 1 90  ? -1.601  -15.491 -5.309  1.00 30.75 ? 90  GLY   A CA  1 
ATOM   743  C C   . GLY   A 1 90  ? -2.843  -16.011 -5.978  1.00 27.40 ? 90  GLY   A C   1 
ATOM   744  O O   . GLY   A 1 90  ? -2.770  -16.962 -6.759  1.00 28.69 ? 90  GLY   A O   1 
ATOM   745  N N   . VAL   A 1 91  ? -3.983  -15.403 -5.692  1.00 26.70 ? 91  VAL   A N   1 
ATOM   746  C CA  . VAL   A 1 91  ? -5.254  -15.770 -6.281  1.00 29.00 ? 91  VAL   A CA  1 
ATOM   747  C C   . VAL   A 1 91  ? -6.026  -14.480 -6.439  1.00 26.61 ? 91  VAL   A C   1 
ATOM   748  O O   . VAL   A 1 91  ? -5.937  -13.588 -5.592  1.00 26.29 ? 91  VAL   A O   1 
ATOM   749  C CB  . VAL   A 1 91  ? -6.012  -16.790 -5.395  1.00 28.37 ? 91  VAL   A CB  1 
ATOM   750  C CG1 . VAL   A 1 91  ? -6.262  -16.215 -4.012  1.00 29.49 ? 91  VAL   A CG1 1 
ATOM   751  C CG2 . VAL   A 1 91  ? -7.318  -17.238 -6.046  1.00 37.31 ? 91  VAL   A CG2 1 
ATOM   752  N N   . GLN   A 1 92  ? -6.750  -14.356 -7.540  1.00 26.62 ? 92  GLN   A N   1 
ATOM   753  C CA  . GLN   A 1 92  ? -7.593  -13.182 -7.701  1.00 26.51 ? 92  GLN   A CA  1 
ATOM   754  C C   . GLN   A 1 92  ? -8.782  -13.297 -6.765  1.00 26.52 ? 92  GLN   A C   1 
ATOM   755  O O   . GLN   A 1 92  ? -9.437  -14.337 -6.715  1.00 28.50 ? 92  GLN   A O   1 
ATOM   756  C CB  . GLN   A 1 92  ? -8.088  -13.050 -9.141  1.00 28.53 ? 92  GLN   A CB  1 
ATOM   757  C CG  . GLN   A 1 92  ? -9.034  -11.885 -9.300  1.00 26.34 ? 92  GLN   A CG  1 
ATOM   758  C CD  . GLN   A 1 92  ? -9.423  -11.635 -10.745 1.00 30.80 ? 92  GLN   A CD  1 
ATOM   759  O OE1 . GLN   A 1 92  ? -9.339  -10.504 -11.240 1.00 38.56 ? 92  GLN   A OE1 1 
ATOM   760  N NE2 . GLN   A 1 92  ? -9.818  -12.685 -11.430 1.00 32.17 ? 92  GLN   A NE2 1 
ATOM   761  N N   . ARG   A 1 93  ? -9.050  -12.239 -6.009  1.00 24.41 ? 93  ARG   A N   1 
ATOM   762  C CA  . ARG   A 1 93  ? -10.250 -12.210 -5.186  1.00 29.87 ? 93  ARG   A CA  1 
ATOM   763  C C   . ARG   A 1 93  ? -10.975 -10.929 -5.542  1.00 32.21 ? 93  ARG   A C   1 
ATOM   764  O O   . ARG   A 1 93  ? -10.635 -10.287 -6.538  1.00 38.66 ? 93  ARG   A O   1 
ATOM   765  C CB  . ARG   A 1 93  ? -9.897  -12.291 -3.702  1.00 24.20 ? 93  ARG   A CB  1 
ATOM   766  C CG  . ARG   A 1 93  ? -9.202  -13.606 -3.376  1.00 23.06 ? 93  ARG   A CG  1 
ATOM   767  C CD  . ARG   A 1 93  ? -8.786  -13.628 -1.925  1.00 29.79 ? 93  ARG   A CD  1 
ATOM   768  N NE  . ARG   A 1 93  ? -9.970  -13.588 -1.076  1.00 27.87 ? 93  ARG   A NE  1 
ATOM   769  C CZ  . ARG   A 1 93  ? -9.951  -13.423 0.242   1.00 32.33 ? 93  ARG   A CZ  1 
ATOM   770  N NH1 . ARG   A 1 93  ? -8.813  -13.308 0.911   1.00 22.92 ? 93  ARG   A NH1 1 
ATOM   771  N NH2 . ARG   A 1 93  ? -11.105 -13.387 0.905   1.00 29.04 ? 93  ARG   A NH2 1 
ATOM   772  N N   A TYR   A 1 94  ? -11.963 -10.539 -4.754  0.63 33.25 ? 94  TYR   A N   1 
ATOM   773  N N   B TYR   A 1 94  ? -11.964 -10.535 -4.748  0.37 33.22 ? 94  TYR   A N   1 
ATOM   774  C CA  A TYR   A 1 94  ? -12.646 -9.310  -5.104  0.63 31.82 ? 94  TYR   A CA  1 
ATOM   775  C CA  B TYR   A 1 94  ? -12.682 -9.304  -5.039  0.37 31.91 ? 94  TYR   A CA  1 
ATOM   776  C C   A TYR   A 1 94  ? -11.778 -8.108  -4.743  0.63 31.03 ? 94  TYR   A C   1 
ATOM   777  C C   B TYR   A 1 94  ? -11.809 -8.097  -4.703  0.37 31.07 ? 94  TYR   A C   1 
ATOM   778  O O   A TYR   A 1 94  ? -10.865 -8.187  -3.913  0.63 32.03 ? 94  TYR   A O   1 
ATOM   779  O O   B TYR   A 1 94  ? -10.923 -8.162  -3.846  0.37 32.02 ? 94  TYR   A O   1 
ATOM   780  C CB  A TYR   A 1 94  ? -14.015 -9.239  -4.420  0.63 36.22 ? 94  TYR   A CB  1 
ATOM   781  C CB  B TYR   A 1 94  ? -14.000 -9.264  -4.257  0.37 35.98 ? 94  TYR   A CB  1 
ATOM   782  C CG  A TYR   A 1 94  ? -14.007 -9.093  -2.915  0.63 31.68 ? 94  TYR   A CG  1 
ATOM   783  C CG  B TYR   A 1 94  ? -14.846 -8.030  -4.507  0.37 37.84 ? 94  TYR   A CG  1 
ATOM   784  C CD1 A TYR   A 1 94  ? -13.645 -10.152 -2.086  0.63 36.32 ? 94  TYR   A CD1 1 
ATOM   785  C CD1 B TYR   A 1 94  ? -15.505 -7.851  -5.719  0.37 39.32 ? 94  TYR   A CD1 1 
ATOM   786  C CD2 A TYR   A 1 94  ? -14.408 -7.901  -2.316  0.63 34.76 ? 94  TYR   A CD2 1 
ATOM   787  C CD2 B TYR   A 1 94  ? -15.010 -7.061  -3.524  0.37 37.42 ? 94  TYR   A CD2 1 
ATOM   788  C CE1 A TYR   A 1 94  ? -13.659 -10.017 -0.694  0.63 31.21 ? 94  TYR   A CE1 1 
ATOM   789  C CE1 B TYR   A 1 94  ? -16.281 -6.730  -5.954  0.37 39.44 ? 94  TYR   A CE1 1 
ATOM   790  C CE2 A TYR   A 1 94  ? -14.428 -7.757  -0.935  0.63 37.46 ? 94  TYR   A CE2 1 
ATOM   791  C CE2 B TYR   A 1 94  ? -15.788 -5.938  -3.750  0.37 39.42 ? 94  TYR   A CE2 1 
ATOM   792  C CZ  A TYR   A 1 94  ? -14.053 -8.813  -0.126  0.63 36.41 ? 94  TYR   A CZ  1 
ATOM   793  C CZ  B TYR   A 1 94  ? -16.419 -5.780  -4.965  0.37 40.15 ? 94  TYR   A CZ  1 
ATOM   794  O OH  A TYR   A 1 94  ? -14.076 -8.656  1.247   0.63 41.07 ? 94  TYR   A OH  1 
ATOM   795  O OH  B TYR   A 1 94  ? -17.192 -4.667  -5.188  0.37 46.90 ? 94  TYR   A OH  1 
ATOM   796  N N   . CYS   A 1 95  ? -12.051 -6.992  -5.404  1.00 28.89 ? 95  CYS   A N   1 
ATOM   797  C CA  . CYS   A 1 95  ? -11.302 -5.770  -5.151  1.00 23.39 ? 95  CYS   A CA  1 
ATOM   798  C C   . CYS   A 1 95  ? -11.639 -5.235  -3.763  1.00 31.13 ? 95  CYS   A C   1 
ATOM   799  O O   . CYS   A 1 95  ? -12.787 -4.874  -3.490  1.00 30.18 ? 95  CYS   A O   1 
ATOM   800  C CB  . CYS   A 1 95  ? -11.612 -4.731  -6.228  1.00 26.33 ? 95  CYS   A CB  1 
ATOM   801  S SG  . CYS   A 1 95  ? -10.754 -3.222  -5.965  1.00 30.04 ? 95  CYS   A SG  1 
ATOM   802  N N   . ARG   A 1 96  ? -10.638 -5.160  -2.888  1.00 27.36 ? 96  ARG   A N   1 
ATOM   803  C CA  . ARG   A 1 96  ? -10.871 -4.775  -1.500  1.00 28.05 ? 96  ARG   A CA  1 
ATOM   804  C C   . ARG   A 1 96  ? -10.273 -3.421  -1.148  1.00 27.05 ? 96  ARG   A C   1 
ATOM   805  O O   . ARG   A 1 96  ? -10.029 -3.140  0.028   1.00 32.95 ? 96  ARG   A O   1 
ATOM   806  C CB  . ARG   A 1 96  ? -10.326 -5.851  -0.573  1.00 28.13 ? 96  ARG   A CB  1 
ATOM   807  C CG  . ARG   A 1 96  ? -11.118 -7.127  -0.690  1.00 31.36 ? 96  ARG   A CG  1 
ATOM   808  C CD  . ARG   A 1 96  ? -10.329 -8.281  -0.161  1.00 28.88 ? 96  ARG   A CD  1 
ATOM   809  N NE  . ARG   A 1 96  ? -9.412  -8.772  -1.182  1.00 30.42 ? 96  ARG   A NE  1 
ATOM   810  C CZ  . ARG   A 1 96  ? -8.478  -9.681  -0.956  1.00 28.22 ? 96  ARG   A CZ  1 
ATOM   811  N NH1 . ARG   A 1 96  ? -8.343  -10.250 0.239   1.00 25.95 ? 96  ARG   A NH1 1 
ATOM   812  N NH2 . ARG   A 1 96  ? -7.651  -10.016 -1.942  1.00 23.30 ? 96  ARG   A NH2 1 
ATOM   813  N N   . SER   A 1 97  ? -10.024 -2.583  -2.152  1.00 28.37 ? 97  SER   A N   1 
ATOM   814  C CA  . SER   A 1 97  ? -9.427  -1.273  -1.921  1.00 28.20 ? 97  SER   A CA  1 
ATOM   815  C C   . SER   A 1 97  ? -10.215 -0.454  -0.903  1.00 34.48 ? 97  SER   A C   1 
ATOM   816  O O   . SER   A 1 97  ? -9.640  0.095   0.044   1.00 35.93 ? 97  SER   A O   1 
ATOM   817  C CB  . SER   A 1 97  ? -9.344  -0.529  -3.243  1.00 31.48 ? 97  SER   A CB  1 
ATOM   818  O OG  . SER   A 1 97  ? -8.531  -1.250  -4.127  1.00 35.85 ? 97  SER   A OG  1 
ATOM   819  N N   . ARG   A 1 98  ? -11.539 -0.365  -1.082  1.00 36.77 ? 98  ARG   A N   1 
ATOM   820  C CA  . ARG   A 1 98  ? -12.344 0.505   -0.221  1.00 42.80 ? 98  ARG   A CA  1 
ATOM   821  C C   . ARG   A 1 98  ? -12.335 0.019   1.221   1.00 41.84 ? 98  ARG   A C   1 
ATOM   822  O O   . ARG   A 1 98  ? -12.472 0.823   2.148   1.00 45.90 ? 98  ARG   A O   1 
ATOM   823  C CB  . ARG   A 1 98  ? -13.786 0.582   -0.729  1.00 41.36 ? 98  ARG   A CB  1 
ATOM   824  C CG  . ARG   A 1 98  ? -13.939 0.807   -2.237  1.00 54.34 ? 98  ARG   A CG  1 
ATOM   825  C CD  . ARG   A 1 98  ? -13.253 2.083   -2.735  1.00 72.14 ? 98  ARG   A CD  1 
ATOM   826  N NE  . ARG   A 1 98  ? -14.123 2.872   -3.605  1.00 87.70 ? 98  ARG   A NE  1 
ATOM   827  C CZ  . ARG   A 1 98  ? -13.771 4.005   -4.203  1.00 89.20 ? 98  ARG   A CZ  1 
ATOM   828  N NH1 . ARG   A 1 98  ? -12.552 4.506   -4.077  1.00 82.31 ? 98  ARG   A NH1 1 
ATOM   829  N NH2 . ARG   A 1 98  ? -14.663 4.648   -4.953  1.00 83.07 ? 98  ARG   A NH2 1 
ATOM   830  N N   A GLU   A 1 99  ? -12.190 -1.287  1.436   0.57 40.59 ? 99  GLU   A N   1 
ATOM   831  N N   B GLU   A 1 99  ? -12.150 -1.282  1.420   0.43 40.57 ? 99  GLU   A N   1 
ATOM   832  C CA  A GLU   A 1 99  ? -12.172 -1.841  2.785   0.57 39.62 ? 99  GLU   A CA  1 
ATOM   833  C CA  B GLU   A 1 99  ? -12.156 -1.892  2.737   0.43 39.64 ? 99  GLU   A CA  1 
ATOM   834  C C   A GLU   A 1 99  ? -10.859 -1.591  3.513   0.57 40.88 ? 99  GLU   A C   1 
ATOM   835  C C   B GLU   A 1 99  ? -10.841 -1.693  3.477   0.43 40.84 ? 99  GLU   A C   1 
ATOM   836  O O   A GLU   A 1 99  ? -10.806 -1.747  4.737   0.57 43.31 ? 99  GLU   A O   1 
ATOM   837  O O   B GLU   A 1 99  ? -10.767 -1.996  4.672   0.43 43.28 ? 99  GLU   A O   1 
ATOM   838  C CB  A GLU   A 1 99  ? -12.458 -3.348  2.740   0.57 41.72 ? 99  GLU   A CB  1 
ATOM   839  C CB  B GLU   A 1 99  ? -12.450 -3.388  2.596   0.43 41.65 ? 99  GLU   A CB  1 
ATOM   840  C CG  A GLU   A 1 99  ? -11.211 -4.234  2.788   0.57 39.51 ? 99  GLU   A CG  1 
ATOM   841  C CG  B GLU   A 1 99  ? -13.827 -3.689  2.030   0.43 38.71 ? 99  GLU   A CG  1 
ATOM   842  C CD  A GLU   A 1 99  ? -11.527 -5.690  3.106   0.57 39.13 ? 99  GLU   A CD  1 
ATOM   843  C CD  B GLU   A 1 99  ? -14.072 -5.167  1.831   0.43 41.19 ? 99  GLU   A CD  1 
ATOM   844  O OE1 A GLU   A 1 99  ? -12.681 -6.116  2.864   0.57 36.85 ? 99  GLU   A OE1 1 
ATOM   845  O OE1 B GLU   A 1 99  ? -13.120 -5.961  1.986   0.43 41.92 ? 99  GLU   A OE1 1 
ATOM   846  O OE2 A GLU   A 1 99  ? -10.617 -6.410  3.582   0.57 25.59 ? 99  GLU   A OE2 1 
ATOM   847  O OE2 B GLU   A 1 99  ? -15.213 -5.537  1.490   0.43 46.64 ? 99  GLU   A OE2 1 
ATOM   848  N N   . LYS   A 1 100 ? -9.807  -1.189  2.803   1.00 37.23 ? 100 LYS   A N   1 
ATOM   849  C CA  . LYS   A 1 100 ? -8.480  -1.061  3.381   1.00 33.34 ? 100 LYS   A CA  1 
ATOM   850  C C   . LYS   A 1 100 ? -8.050  0.386   3.556   1.00 37.34 ? 100 LYS   A C   1 
ATOM   851  O O   . LYS   A 1 100 ? -6.856  0.657   3.720   1.00 39.01 ? 100 LYS   A O   1 
ATOM   852  C CB  . LYS   A 1 100 ? -7.484  -1.833  2.520   1.00 38.49 ? 100 LYS   A CB  1 
ATOM   853  C CG  . LYS   A 1 100 ? -7.717  -3.320  2.626   1.00 35.14 ? 100 LYS   A CG  1 
ATOM   854  C CD  . LYS   A 1 100 ? -6.837  -4.103  1.703   1.00 33.14 ? 100 LYS   A CD  1 
ATOM   855  C CE  . LYS   A 1 100 ? -7.081  -5.590  1.860   1.00 30.22 ? 100 LYS   A CE  1 
ATOM   856  N NZ  . LYS   A 1 100 ? -6.631  -6.043  3.203   1.00 25.56 ? 100 LYS   A NZ  1 
ATOM   857  N N   . GLY   A 1 101 ? -8.996  1.320   3.523   1.00 39.72 ? 101 GLY   A N   1 
ATOM   858  C CA  . GLY   A 1 101 ? -8.723  2.679   3.913   1.00 42.16 ? 101 GLY   A CA  1 
ATOM   859  C C   . GLY   A 1 101 ? -8.150  3.516   2.793   1.00 40.35 ? 101 GLY   A C   1 
ATOM   860  O O   . GLY   A 1 101 ? -8.231  3.166   1.609   1.00 39.29 ? 101 GLY   A O   1 
ATOM   861  N N   . PRO   A 1 102 ? -7.546  4.646   3.152   1.00 43.03 ? 102 PRO   A N   1 
ATOM   862  C CA  . PRO   A 1 102 ? -7.028  5.553   2.125   1.00 42.96 ? 102 PRO   A CA  1 
ATOM   863  C C   . PRO   A 1 102 ? -5.890  4.896   1.365   1.00 35.27 ? 102 PRO   A C   1 
ATOM   864  O O   . PRO   A 1 102 ? -5.116  4.113   1.922   1.00 39.49 ? 102 PRO   A O   1 
ATOM   865  C CB  . PRO   A 1 102 ? -6.529  6.770   2.920   1.00 44.36 ? 102 PRO   A CB  1 
ATOM   866  C CG  . PRO   A 1 102 ? -6.659  6.423   4.370   1.00 52.34 ? 102 PRO   A CG  1 
ATOM   867  C CD  . PRO   A 1 102 ? -7.080  4.991   4.504   1.00 47.92 ? 102 PRO   A CD  1 
ATOM   868  N N   . TYR   A 1 103 ? -5.801  5.217   0.078   1.00 39.59 ? 103 TYR   A N   1 
ATOM   869  C CA  . TYR   A 1 103 ? -4.668  4.744   -0.698  1.00 34.46 ? 103 TYR   A CA  1 
ATOM   870  C C   . TYR   A 1 103 ? -3.379  5.303   -0.115  1.00 35.15 ? 103 TYR   A C   1 
ATOM   871  O O   . TYR   A 1 103 ? -3.348  6.398   0.451   1.00 40.91 ? 103 TYR   A O   1 
ATOM   872  C CB  . TYR   A 1 103 ? -4.803  5.151   -2.159  1.00 33.30 ? 103 TYR   A CB  1 
ATOM   873  C CG  . TYR   A 1 103 ? -5.922  4.461   -2.899  1.00 41.00 ? 103 TYR   A CG  1 
ATOM   874  C CD1 . TYR   A 1 103 ? -5.799  3.134   -3.307  1.00 34.36 ? 103 TYR   A CD1 1 
ATOM   875  C CD2 . TYR   A 1 103 ? -7.081  5.152   -3.251  1.00 40.51 ? 103 TYR   A CD2 1 
ATOM   876  C CE1 . TYR   A 1 103 ? -6.820  2.497   -4.015  1.00 37.22 ? 103 TYR   A CE1 1 
ATOM   877  C CE2 . TYR   A 1 103 ? -8.109  4.525   -3.959  1.00 43.42 ? 103 TYR   A CE2 1 
ATOM   878  C CZ  . TYR   A 1 103 ? -7.975  3.202   -4.340  1.00 44.73 ? 103 TYR   A CZ  1 
ATOM   879  O OH  . TYR   A 1 103 ? -8.993  2.584   -5.051  1.00 43.41 ? 103 TYR   A OH  1 
ATOM   880  N N   . ALA   A 1 104 ? -2.310  4.525   -0.240  1.00 30.58 ? 104 ALA   A N   1 
ATOM   881  C CA  . ALA   A 1 104 ? -1.000  4.932   0.243   1.00 34.90 ? 104 ALA   A CA  1 
ATOM   882  C C   . ALA   A 1 104 ? -0.236  5.784   -0.756  1.00 33.08 ? 104 ALA   A C   1 
ATOM   883  O O   . ALA   A 1 104 ? 0.650   6.548   -0.354  1.00 38.18 ? 104 ALA   A O   1 
ATOM   884  C CB  . ALA   A 1 104 ? -0.166  3.698   0.584   1.00 34.78 ? 104 ALA   A CB  1 
ATOM   885  N N   . ALA   A 1 105 ? -0.517  5.630   -2.050  1.00 32.17 ? 105 ALA   A N   1 
ATOM   886  C CA  . ALA   A 1 105 ? 0.235   6.316   -3.089  1.00 33.47 ? 105 ALA   A CA  1 
ATOM   887  C C   . ALA   A 1 105 ? -0.639  6.413   -4.328  1.00 33.94 ? 105 ALA   A C   1 
ATOM   888  O O   . ALA   A 1 105 ? -1.575  5.638   -4.519  1.00 33.94 ? 105 ALA   A O   1 
ATOM   889  C CB  . ALA   A 1 105 ? 1.552   5.604   -3.417  1.00 32.98 ? 105 ALA   A CB  1 
ATOM   890  N N   . LYS   A 1 106 ? -0.317  7.386   -5.165  1.00 32.71 ? 106 LYS   A N   1 
ATOM   891  C CA  . LYS   A 1 106 ? -1.072  7.637   -6.377  1.00 29.62 ? 106 LYS   A CA  1 
ATOM   892  C C   . LYS   A 1 106 ? -0.108  8.232   -7.385  1.00 31.50 ? 106 LYS   A C   1 
ATOM   893  O O   . LYS   A 1 106 ? 0.760   9.029   -7.023  1.00 40.62 ? 106 LYS   A O   1 
ATOM   894  C CB  . LYS   A 1 106 ? -2.248  8.591   -6.115  1.00 33.41 ? 106 LYS   A CB  1 
ATOM   895  C CG  . LYS   A 1 106 ? -3.072  8.948   -7.347  1.00 44.32 ? 106 LYS   A CG  1 
ATOM   896  C CD  . LYS   A 1 106 ? -4.492  9.385   -6.966  1.00 43.87 ? 106 LYS   A CD  1 
ATOM   897  C CE  . LYS   A 1 106 ? -5.288  9.819   -8.192  1.00 48.72 ? 106 LYS   A CE  1 
ATOM   898  N NZ  . LYS   A 1 106 ? -4.371  10.219  -9.316  1.00 45.49 ? 106 LYS   A NZ  1 
ATOM   899  N N   . THR   A 1 107 ? -0.252  7.837   -8.634  1.00 33.47 ? 107 THR   A N   1 
ATOM   900  C CA  . THR   A 1 107 ? 0.565   8.391   -9.695  1.00 32.83 ? 107 THR   A CA  1 
ATOM   901  C C   . THR   A 1 107 ? -0.294  9.309   -10.554 1.00 37.56 ? 107 THR   A C   1 
ATOM   902  O O   . THR   A 1 107 ? -1.512  9.389   -10.396 1.00 35.29 ? 107 THR   A O   1 
ATOM   903  C CB  . THR   A 1 107 ? 1.181   7.271   -10.536 1.00 27.79 ? 107 THR   A CB  1 
ATOM   904  O OG1 . THR   A 1 107 ? 0.130   6.463   -11.077 1.00 32.32 ? 107 THR   A OG1 1 
ATOM   905  C CG2 . THR   A 1 107 ? 2.084   6.405   -9.660  1.00 31.27 ? 107 THR   A CG2 1 
ATOM   906  N N   . ASP   A 1 108 ? 0.351   9.987   -11.498 1.00 32.56 ? 108 ASP   A N   1 
ATOM   907  C CA  . ASP   A 1 108 ? -0.336  10.979  -12.309 1.00 38.04 ? 108 ASP   A CA  1 
ATOM   908  C C   . ASP   A 1 108 ? -0.595  10.534  -13.735 1.00 41.27 ? 108 ASP   A C   1 
ATOM   909  O O   . ASP   A 1 108 ? -1.332  11.208  -14.458 1.00 41.55 ? 108 ASP   A O   1 
ATOM   910  C CB  . ASP   A 1 108 ? 0.460   12.289  -12.286 1.00 37.28 ? 108 ASP   A CB  1 
ATOM   911  C CG  . ASP   A 1 108 ? 0.648   12.799  -10.872 1.00 43.80 ? 108 ASP   A CG  1 
ATOM   912  O OD1 . ASP   A 1 108 ? -0.372  12.898  -10.155 1.00 45.75 ? 108 ASP   A OD1 1 
ATOM   913  O OD2 . ASP   A 1 108 ? 1.796   13.077  -10.458 1.00 50.17 ? 108 ASP   A OD2 1 
ATOM   914  N N   . GLY   A 1 109 ? -0.049  9.405   -14.156 1.00 35.67 ? 109 GLY   A N   1 
ATOM   915  C CA  . GLY   A 1 109 ? -0.372  8.908   -15.471 1.00 30.37 ? 109 GLY   A CA  1 
ATOM   916  C C   . GLY   A 1 109 ? 0.576   7.792   -15.840 1.00 40.46 ? 109 GLY   A C   1 
ATOM   917  O O   . GLY   A 1 109 ? 1.371   7.328   -15.015 1.00 32.62 ? 109 GLY   A O   1 
ATOM   918  N N   . VAL   A 1 110 ? 0.474   7.375   -17.095 1.00 33.65 ? 110 VAL   A N   1 
ATOM   919  C CA  . VAL   A 1 110 ? 1.334   6.334   -17.626 1.00 37.48 ? 110 VAL   A CA  1 
ATOM   920  C C   . VAL   A 1 110 ? 1.742   6.727   -19.041 1.00 38.01 ? 110 VAL   A C   1 
ATOM   921  O O   . VAL   A 1 110 ? 0.934   7.268   -19.805 1.00 34.98 ? 110 VAL   A O   1 
ATOM   922  C CB  . VAL   A 1 110 ? 0.626   4.962   -17.568 1.00 37.00 ? 110 VAL   A CB  1 
ATOM   923  C CG1 . VAL   A 1 110 ? -0.779  5.075   -18.072 1.00 40.58 ? 110 VAL   A CG1 1 
ATOM   924  C CG2 . VAL   A 1 110 ? 1.402   3.909   -18.319 1.00 29.40 ? 110 VAL   A CG2 1 
ATOM   925  N N   . ARG   A 1 111 ? 3.012   6.498   -19.376 1.00 34.71 ? 111 ARG   A N   1 
ATOM   926  C CA  . ARG   A 1 111 ? 3.506   6.726   -20.729 1.00 36.92 ? 111 ARG   A CA  1 
ATOM   927  C C   . ARG   A 1 111 ? 4.097   5.453   -21.314 1.00 36.49 ? 111 ARG   A C   1 
ATOM   928  O O   . ARG   A 1 111 ? 4.609   4.591   -20.598 1.00 31.69 ? 111 ARG   A O   1 
ATOM   929  C CB  . ARG   A 1 111 ? 4.542   7.854   -20.788 1.00 40.97 ? 111 ARG   A CB  1 
ATOM   930  C CG  . ARG   A 1 111 ? 4.038   9.167   -20.209 1.00 49.10 ? 111 ARG   A CG  1 
ATOM   931  C CD  . ARG   A 1 111 ? 4.693   10.392  -20.861 1.00 55.94 ? 111 ARG   A CD  1 
ATOM   932  N NE  . ARG   A 1 111 ? 4.745   11.514  -19.929 1.00 67.39 ? 111 ARG   A NE  1 
ATOM   933  C CZ  . ARG   A 1 111 ? 5.858   11.994  -19.388 1.00 67.03 ? 111 ARG   A CZ  1 
ATOM   934  N NH1 . ARG   A 1 111 ? 7.052   11.541  -19.744 1.00 63.42 ? 111 ARG   A NH1 1 
ATOM   935  N NH2 . ARG   A 1 111 ? 5.772   12.948  -18.463 1.00 62.57 ? 111 ARG   A NH2 1 
ATOM   936  N N   . GLN   A 1 112 ? 3.985   5.330   -22.626 1.00 34.30 ? 112 GLN   A N   1 
ATOM   937  C CA  . GLN   A 1 112 ? 4.573   4.216   -23.339 1.00 31.94 ? 112 GLN   A CA  1 
ATOM   938  C C   . GLN   A 1 112 ? 5.914   4.652   -23.903 1.00 33.16 ? 112 GLN   A C   1 
ATOM   939  O O   . GLN   A 1 112 ? 6.050   5.759   -24.422 1.00 35.66 ? 112 GLN   A O   1 
ATOM   940  C CB  . GLN   A 1 112 ? 3.671   3.720   -24.467 1.00 35.27 ? 112 GLN   A CB  1 
ATOM   941  C CG  . GLN   A 1 112 ? 4.198   2.441   -25.101 1.00 34.33 ? 112 GLN   A CG  1 
ATOM   942  C CD  . GLN   A 1 112 ? 3.296   1.895   -26.189 1.00 42.99 ? 112 GLN   A CD  1 
ATOM   943  O OE1 . GLN   A 1 112 ? 2.233   2.448   -26.467 1.00 50.04 ? 112 GLN   A OE1 1 
ATOM   944  N NE2 . GLN   A 1 112 ? 3.710   0.792   -26.799 1.00 43.93 ? 112 GLN   A NE2 1 
ATOM   945  N N   . VAL   A 1 113 ? 6.913   3.789   -23.762 1.00 30.29 ? 113 VAL   A N   1 
ATOM   946  C CA  . VAL   A 1 113 ? 8.176   3.998   -24.448 1.00 30.57 ? 113 VAL   A CA  1 
ATOM   947  C C   . VAL   A 1 113 ? 7.964   3.680   -25.923 1.00 29.63 ? 113 VAL   A C   1 
ATOM   948  O O   . VAL   A 1 113 ? 7.244   2.737   -26.271 1.00 28.02 ? 113 VAL   A O   1 
ATOM   949  C CB  . VAL   A 1 113 ? 9.260   3.095   -23.827 1.00 30.61 ? 113 VAL   A CB  1 
ATOM   950  C CG1 . VAL   A 1 113 ? 10.609  3.302   -24.506 1.00 29.41 ? 113 VAL   A CG1 1 
ATOM   951  C CG2 . VAL   A 1 113 ? 9.325   3.292   -22.330 1.00 29.51 ? 113 VAL   A CG2 1 
ATOM   952  N N   . GLN   A 1 114 ? 8.549   4.488   -26.798 1.00 34.89 ? 114 GLN   A N   1 
ATOM   953  C CA  . GLN   A 1 114 ? 8.514   4.204   -28.223 1.00 34.08 ? 114 GLN   A CA  1 
ATOM   954  C C   . GLN   A 1 114 ? 8.993   2.777   -28.482 1.00 32.44 ? 114 GLN   A C   1 
ATOM   955  O O   . GLN   A 1 114 ? 10.136  2.447   -28.139 1.00 34.31 ? 114 GLN   A O   1 
ATOM   956  C CB  . GLN   A 1 114 ? 9.395   5.203   -28.964 1.00 36.46 ? 114 GLN   A CB  1 
ATOM   957  C CG  . GLN   A 1 114 ? 9.840   4.739   -30.325 1.00 48.98 ? 114 GLN   A CG  1 
ATOM   958  C CD  . GLN   A 1 114 ? 9.694   5.821   -31.360 1.00 60.21 ? 114 GLN   A CD  1 
ATOM   959  O OE1 . GLN   A 1 114 ? 8.602   6.351   -31.572 1.00 66.93 ? 114 GLN   A OE1 1 
ATOM   960  N NE2 . GLN   A 1 114 ? 10.804  6.184   -31.992 1.00 59.42 ? 114 GLN   A NE2 1 
ATOM   961  N N   . PRO   A 1 115 ? 8.161   1.909   -29.048 1.00 33.29 ? 115 PRO   A N   1 
ATOM   962  C CA  . PRO   A 1 115 ? 8.531   0.496   -29.148 1.00 33.56 ? 115 PRO   A CA  1 
ATOM   963  C C   . PRO   A 1 115 ? 9.627   0.280   -30.174 1.00 35.64 ? 115 PRO   A C   1 
ATOM   964  O O   . PRO   A 1 115 ? 9.872   1.103   -31.061 1.00 31.85 ? 115 PRO   A O   1 
ATOM   965  C CB  . PRO   A 1 115 ? 7.236   -0.200  -29.576 1.00 35.78 ? 115 PRO   A CB  1 
ATOM   966  C CG  . PRO   A 1 115 ? 6.336   0.873   -30.066 1.00 35.83 ? 115 PRO   A CG  1 
ATOM   967  C CD  . PRO   A 1 115 ? 6.781   2.169   -29.496 1.00 38.19 ? 115 PRO   A CD  1 
ATOM   968  N N   . TYR   A 1 116 ? 10.294  -0.861  -30.031 1.00 29.33 ? 116 TYR   A N   1 
ATOM   969  C CA  . TYR   A 1 116 ? 11.240  -1.357  -31.018 1.00 32.62 ? 116 TYR   A CA  1 
ATOM   970  C C   . TYR   A 1 116 ? 12.435  -0.424  -31.153 1.00 36.27 ? 116 TYR   A C   1 
ATOM   971  O O   . TYR   A 1 116 ? 13.031  -0.321  -32.225 1.00 33.43 ? 116 TYR   A O   1 
ATOM   972  C CB  . TYR   A 1 116 ? 10.540  -1.550  -32.365 1.00 35.18 ? 116 TYR   A CB  1 
ATOM   973  C CG  . TYR   A 1 116 ? 9.416   -2.541  -32.264 1.00 35.92 ? 116 TYR   A CG  1 
ATOM   974  C CD1 . TYR   A 1 116 ? 9.579   -3.736  -31.578 1.00 35.58 ? 116 TYR   A CD1 1 
ATOM   975  C CD2 . TYR   A 1 116 ? 8.163   -2.248  -32.780 1.00 42.85 ? 116 TYR   A CD2 1 
ATOM   976  C CE1 . TYR   A 1 116 ? 8.543   -4.635  -31.459 1.00 38.28 ? 116 TYR   A CE1 1 
ATOM   977  C CE2 . TYR   A 1 116 ? 7.120   -3.143  -32.663 1.00 42.38 ? 116 TYR   A CE2 1 
ATOM   978  C CZ  . TYR   A 1 116 ? 7.315   -4.334  -32.004 1.00 42.91 ? 116 TYR   A CZ  1 
ATOM   979  O OH  . TYR   A 1 116 ? 6.276   -5.228  -31.890 1.00 52.42 ? 116 TYR   A OH  1 
ATOM   980  N N   . ASN   A 1 117 ? 12.793  0.247   -30.053 1.00 30.74 ? 117 ASN   A N   1 
ATOM   981  C CA  . ASN   A 1 117 ? 13.787  1.320   -30.055 1.00 28.02 ? 117 ASN   A CA  1 
ATOM   982  C C   . ASN   A 1 117 ? 14.619  1.168   -28.788 1.00 32.88 ? 117 ASN   A C   1 
ATOM   983  O O   . ASN   A 1 117 ? 14.185  1.575   -27.707 1.00 25.18 ? 117 ASN   A O   1 
ATOM   984  C CB  . ASN   A 1 117 ? 13.112  2.683   -30.106 1.00 32.82 ? 117 ASN   A CB  1 
ATOM   985  C CG  . ASN   A 1 117 ? 14.097  3.821   -30.272 1.00 35.24 ? 117 ASN   A CG  1 
ATOM   986  O OD1 . ASN   A 1 117 ? 15.087  3.914   -29.559 1.00 30.76 ? 117 ASN   A OD1 1 
ATOM   987  N ND2 . ASN   A 1 117 ? 13.821  4.702   -31.226 1.00 44.61 ? 117 ASN   A ND2 1 
ATOM   988  N N   . GLU   A 1 118 ? 15.819  0.604   -28.928 1.00 29.02 ? 118 GLU   A N   1 
ATOM   989  C CA  . GLU   A 1 118 ? 16.646  0.341   -27.761 1.00 30.26 ? 118 GLU   A CA  1 
ATOM   990  C C   . GLU   A 1 118 ? 16.984  1.629   -27.029 1.00 31.42 ? 118 GLU   A C   1 
ATOM   991  O O   . GLU   A 1 118 ? 16.885  1.708   -25.794 1.00 28.45 ? 118 GLU   A O   1 
ATOM   992  C CB  . GLU   A 1 118 ? 17.927  -0.381  -28.176 1.00 29.44 ? 118 GLU   A CB  1 
ATOM   993  C CG  . GLU   A 1 118 ? 18.856  -0.617  -27.011 1.00 26.59 ? 118 GLU   A CG  1 
ATOM   994  C CD  . GLU   A 1 118 ? 19.946  -1.604  -27.359 1.00 30.61 ? 118 GLU   A CD  1 
ATOM   995  O OE1 . GLU   A 1 118 ? 19.607  -2.739  -27.752 1.00 27.68 ? 118 GLU   A OE1 1 
ATOM   996  O OE2 . GLU   A 1 118 ? 21.127  -1.240  -27.258 1.00 29.80 ? 118 GLU   A OE2 1 
ATOM   997  N N   . GLY   A 1 119 ? 17.388  2.657   -27.776 1.00 29.08 ? 119 GLY   A N   1 
ATOM   998  C CA  . GLY   A 1 119 ? 17.780  3.896   -27.130 1.00 27.35 ? 119 GLY   A CA  1 
ATOM   999  C C   . GLY   A 1 119 ? 16.653  4.513   -26.325 1.00 27.00 ? 119 GLY   A C   1 
ATOM   1000 O O   . GLY   A 1 119 ? 16.877  5.047   -25.237 1.00 29.39 ? 119 GLY   A O   1 
ATOM   1001 N N   . ALA   A 1 120 ? 15.427  4.446   -26.845 1.00 29.07 ? 120 ALA   A N   1 
ATOM   1002 C CA  . ALA   A 1 120 ? 14.297  5.031   -26.128 1.00 25.55 ? 120 ALA   A CA  1 
ATOM   1003 C C   . ALA   A 1 120 ? 14.079  4.315   -24.799 1.00 25.95 ? 120 ALA   A C   1 
ATOM   1004 O O   . ALA   A 1 120 ? 13.823  4.949   -23.768 1.00 27.65 ? 120 ALA   A O   1 
ATOM   1005 C CB  . ALA   A 1 120 ? 13.037  4.958   -26.993 1.00 27.57 ? 120 ALA   A CB  1 
ATOM   1006 N N   . LEU   A 1 121 ? 14.206  2.993   -24.802 1.00 25.42 ? 121 LEU   A N   1 
ATOM   1007 C CA  . LEU   A 1 121 ? 14.055  2.254   -23.554 1.00 24.75 ? 121 LEU   A CA  1 
ATOM   1008 C C   . LEU   A 1 121 ? 15.163  2.598   -22.573 1.00 28.53 ? 121 LEU   A C   1 
ATOM   1009 O O   . LEU   A 1 121 ? 14.902  2.793   -21.380 1.00 25.02 ? 121 LEU   A O   1 
ATOM   1010 C CB  . LEU   A 1 121 ? 14.030  0.751   -23.843 1.00 25.21 ? 121 LEU   A CB  1 
ATOM   1011 C CG  . LEU   A 1 121 ? 13.847  -0.133  -22.599 1.00 26.68 ? 121 LEU   A CG  1 
ATOM   1012 C CD1 . LEU   A 1 121 ? 12.597  0.285   -21.809 1.00 29.89 ? 121 LEU   A CD1 1 
ATOM   1013 C CD2 . LEU   A 1 121 ? 13.758  -1.566  -23.043 1.00 31.23 ? 121 LEU   A CD2 1 
ATOM   1014 N N   . LEU   A 1 122 ? 16.415  2.673   -23.046 1.00 26.71 ? 122 LEU   A N   1 
ATOM   1015 C CA  . LEU   A 1 122 ? 17.502  3.016   -22.137 1.00 26.19 ? 122 LEU   A CA  1 
ATOM   1016 C C   . LEU   A 1 122 ? 17.275  4.378   -21.522 1.00 29.78 ? 122 LEU   A C   1 
ATOM   1017 O O   . LEU   A 1 122 ? 17.491  4.577   -20.324 1.00 27.20 ? 122 LEU   A O   1 
ATOM   1018 C CB  . LEU   A 1 122 ? 18.847  3.004   -22.860 1.00 28.81 ? 122 LEU   A CB  1 
ATOM   1019 C CG  . LEU   A 1 122 ? 19.280  1.670   -23.441 1.00 28.73 ? 122 LEU   A CG  1 
ATOM   1020 C CD1 . LEU   A 1 122 ? 20.612  1.857   -24.161 1.00 28.14 ? 122 LEU   A CD1 1 
ATOM   1021 C CD2 . LEU   A 1 122 ? 19.352  0.626   -22.329 1.00 30.46 ? 122 LEU   A CD2 1 
ATOM   1022 N N   . TYR   A 1 123 ? 16.821  5.331   -22.326 1.00 21.72 ? 123 TYR   A N   1 
ATOM   1023 C CA  . TYR   A 1 123 ? 16.590  6.657   -21.780 1.00 25.89 ? 123 TYR   A CA  1 
ATOM   1024 C C   . TYR   A 1 123 ? 15.560  6.601   -20.645 1.00 25.78 ? 123 TYR   A C   1 
ATOM   1025 O O   . TYR   A 1 123 ? 15.770  7.175   -19.575 1.00 27.47 ? 123 TYR   A O   1 
ATOM   1026 C CB  . TYR   A 1 123 ? 16.163  7.593   -22.910 1.00 25.58 ? 123 TYR   A CB  1 
ATOM   1027 C CG  . TYR   A 1 123 ? 15.834  8.958   -22.403 1.00 31.62 ? 123 TYR   A CG  1 
ATOM   1028 C CD1 . TYR   A 1 123 ? 16.846  9.835   -22.040 1.00 34.93 ? 123 TYR   A CD1 1 
ATOM   1029 C CD2 . TYR   A 1 123 ? 14.518  9.382   -22.294 1.00 43.56 ? 123 TYR   A CD2 1 
ATOM   1030 C CE1 . TYR   A 1 123 ? 16.561  11.087  -21.567 1.00 35.96 ? 123 TYR   A CE1 1 
ATOM   1031 C CE2 . TYR   A 1 123 ? 14.219  10.643  -21.825 1.00 40.73 ? 123 TYR   A CE2 1 
ATOM   1032 C CZ  . TYR   A 1 123 ? 15.245  11.488  -21.466 1.00 46.95 ? 123 TYR   A CZ  1 
ATOM   1033 O OH  . TYR   A 1 123 ? 14.949  12.742  -20.996 1.00 52.37 ? 123 TYR   A OH  1 
ATOM   1034 N N   . SER   A 1 124 ? 14.471  5.860   -20.847 1.00 28.21 ? 124 SER   A N   1 
ATOM   1035 C CA  . SER   A 1 124 ? 13.462  5.720   -19.804 1.00 29.73 ? 124 SER   A CA  1 
ATOM   1036 C C   . SER   A 1 124 ? 14.043  5.055   -18.560 1.00 24.13 ? 124 SER   A C   1 
ATOM   1037 O O   . SER   A 1 124 ? 13.771  5.486   -17.433 1.00 26.91 ? 124 SER   A O   1 
ATOM   1038 C CB  . SER   A 1 124 ? 12.278  4.927   -20.341 1.00 26.69 ? 124 SER   A CB  1 
ATOM   1039 O OG  . SER   A 1 124 ? 11.717  5.575   -21.468 1.00 36.96 ? 124 SER   A OG  1 
ATOM   1040 N N   . ILE   A 1 125 ? 14.851  4.004   -18.742 1.00 25.90 ? 125 ILE   A N   1 
ATOM   1041 C CA  . ILE   A 1 125 ? 15.438  3.318   -17.587 1.00 26.07 ? 125 ILE   A CA  1 
ATOM   1042 C C   . ILE   A 1 125 ? 16.352  4.255   -16.807 1.00 24.13 ? 125 ILE   A C   1 
ATOM   1043 O O   . ILE   A 1 125 ? 16.398  4.227   -15.570 1.00 26.28 ? 125 ILE   A O   1 
ATOM   1044 C CB  . ILE   A 1 125 ? 16.197  2.057   -18.046 1.00 23.03 ? 125 ILE   A CB  1 
ATOM   1045 C CG1 . ILE   A 1 125 ? 15.245  1.057   -18.717 1.00 26.35 ? 125 ILE   A CG1 1 
ATOM   1046 C CG2 . ILE   A 1 125 ? 16.978  1.461   -16.884 1.00 27.52 ? 125 ILE   A CG2 1 
ATOM   1047 C CD1 . ILE   A 1 125 ? 15.983  -0.123  -19.368 1.00 27.19 ? 125 ILE   A CD1 1 
ATOM   1048 N N   . ALA   A 1 126 ? 17.114  5.089   -17.507 1.00 24.46 ? 126 ALA   A N   1 
ATOM   1049 C CA  . ALA   A 1 126 ? 17.947  6.045   -16.787 1.00 22.66 ? 126 ALA   A CA  1 
ATOM   1050 C C   . ALA   A 1 126 ? 17.116  6.963   -15.900 1.00 25.20 ? 126 ALA   A C   1 
ATOM   1051 O O   . ALA   A 1 126 ? 17.648  7.543   -14.952 1.00 34.37 ? 126 ALA   A O   1 
ATOM   1052 C CB  . ALA   A 1 126 ? 18.772  6.881   -17.776 1.00 25.08 ? 126 ALA   A CB  1 
ATOM   1053 N N   . ASN   A 1 127 ? 15.822  7.099   -16.178 1.00 27.01 ? 127 ASN   A N   1 
ATOM   1054 C CA  . ASN   A 1 127 ? 14.971  7.988   -15.396 1.00 27.25 ? 127 ASN   A CA  1 
ATOM   1055 C C   . ASN   A 1 127 ? 14.222  7.273   -14.290 1.00 27.85 ? 127 ASN   A C   1 
ATOM   1056 O O   . ASN   A 1 127 ? 14.001  7.858   -13.224 1.00 27.18 ? 127 ASN   A O   1 
ATOM   1057 C CB  . ASN   A 1 127 ? 13.982  8.701   -16.318 1.00 30.63 ? 127 ASN   A CB  1 
ATOM   1058 C CG  . ASN   A 1 127 ? 14.658  9.775   -17.149 1.00 38.96 ? 127 ASN   A CG  1 
ATOM   1059 O OD1 . ASN   A 1 127 ? 14.839  9.631   -18.363 1.00 44.41 ? 127 ASN   A OD1 1 
ATOM   1060 N ND2 . ASN   A 1 127 ? 15.059  10.849  -16.489 1.00 42.59 ? 127 ASN   A ND2 1 
ATOM   1061 N N   . GLN   A 1 128 ? 13.872  6.010   -14.497 1.00 26.07 ? 128 GLN   A N   1 
ATOM   1062 C CA  . GLN   A 1 128 ? 13.080  5.306   -13.501 1.00 27.82 ? 128 GLN   A CA  1 
ATOM   1063 C C   . GLN   A 1 128 ? 12.938  3.874   -13.958 1.00 28.16 ? 128 GLN   A C   1 
ATOM   1064 O O   . GLN   A 1 128 ? 13.083  3.590   -15.157 1.00 26.58 ? 128 GLN   A O   1 
ATOM   1065 C CB  . GLN   A 1 128 ? 11.684  5.909   -13.364 1.00 25.73 ? 128 GLN   A CB  1 
ATOM   1066 C CG  . GLN   A 1 128 ? 10.886  5.729   -14.649 1.00 28.08 ? 128 GLN   A CG  1 
ATOM   1067 C CD  . GLN   A 1 128 ? 9.709   6.641   -14.721 1.00 37.55 ? 128 GLN   A CD  1 
ATOM   1068 O OE1 . GLN   A 1 128 ? 9.736   7.643   -15.436 1.00 34.14 ? 128 GLN   A OE1 1 
ATOM   1069 N NE2 . GLN   A 1 128 ? 8.652   6.307   -13.982 1.00 31.93 ? 128 GLN   A NE2 1 
ATOM   1070 N N   . PRO   A 1 129 ? 12.599  2.955   -13.067 1.00 23.42 ? 129 PRO   A N   1 
ATOM   1071 C CA  . PRO   A 1 129 ? 12.317  1.592   -13.526 1.00 23.28 ? 129 PRO   A CA  1 
ATOM   1072 C C   . PRO   A 1 129 ? 11.132  1.579   -14.481 1.00 24.52 ? 129 PRO   A C   1 
ATOM   1073 O O   . PRO   A 1 129 ? 10.174  2.346   -14.339 1.00 23.42 ? 129 PRO   A O   1 
ATOM   1074 C CB  . PRO   A 1 129 ? 12.011  0.844   -12.226 1.00 22.54 ? 129 PRO   A CB  1 
ATOM   1075 C CG  . PRO   A 1 129 ? 12.759  1.629   -11.180 1.00 27.95 ? 129 PRO   A CG  1 
ATOM   1076 C CD  . PRO   A 1 129 ? 12.572  3.053   -11.595 1.00 24.40 ? 129 PRO   A CD  1 
ATOM   1077 N N   . VAL   A 1 130 ? 11.187  0.668   -15.446 1.00 23.17 ? 130 VAL   A N   1 
ATOM   1078 C CA  . VAL   A 1 130 ? 10.234  0.607   -16.542 1.00 22.79 ? 130 VAL   A CA  1 
ATOM   1079 C C   . VAL   A 1 130 ? 9.657   -0.793  -16.609 1.00 26.18 ? 130 VAL   A C   1 
ATOM   1080 O O   . VAL   A 1 130 ? 10.375  -1.780  -16.405 1.00 26.23 ? 130 VAL   A O   1 
ATOM   1081 C CB  . VAL   A 1 130 ? 10.910  0.974   -17.884 1.00 26.72 ? 130 VAL   A CB  1 
ATOM   1082 C CG1 . VAL   A 1 130 ? 9.973   0.752   -19.070 1.00 29.51 ? 130 VAL   A CG1 1 
ATOM   1083 C CG2 . VAL   A 1 130 ? 11.379  2.416   -17.850 1.00 27.04 ? 130 VAL   A CG2 1 
ATOM   1084 N N   . SER   A 1 131 ? 8.358   -0.875  -16.891 1.00 23.76 ? 131 SER   A N   1 
ATOM   1085 C CA  . SER   A 1 131 ? 7.708   -2.153  -17.137 1.00 24.85 ? 131 SER   A CA  1 
ATOM   1086 C C   . SER   A 1 131 ? 7.982   -2.577  -18.570 1.00 28.71 ? 131 SER   A C   1 
ATOM   1087 O O   . SER   A 1 131 ? 7.741   -1.816  -19.504 1.00 26.64 ? 131 SER   A O   1 
ATOM   1088 C CB  . SER   A 1 131 ? 6.199   -2.040  -16.918 1.00 22.96 ? 131 SER   A CB  1 
ATOM   1089 O OG  . SER   A 1 131 ? 5.546   -3.213  -17.352 1.00 26.46 ? 131 SER   A OG  1 
ATOM   1090 N N   . VAL   A 1 132 ? 8.476   -3.789  -18.753 1.00 22.37 ? 132 VAL   A N   1 
ATOM   1091 C CA  . VAL   A 1 132 ? 8.813   -4.268  -20.084 1.00 24.21 ? 132 VAL   A CA  1 
ATOM   1092 C C   . VAL   A 1 132 ? 8.296   -5.679  -20.176 1.00 26.46 ? 132 VAL   A C   1 
ATOM   1093 O O   . VAL   A 1 132 ? 8.013   -6.321  -19.166 1.00 26.22 ? 132 VAL   A O   1 
ATOM   1094 C CB  . VAL   A 1 132 ? 10.327  -4.232  -20.366 1.00 24.76 ? 132 VAL   A CB  1 
ATOM   1095 C CG1 . VAL   A 1 132 ? 10.863  -2.805  -20.192 1.00 25.94 ? 132 VAL   A CG1 1 
ATOM   1096 C CG2 . VAL   A 1 132 ? 11.044  -5.201  -19.413 1.00 26.29 ? 132 VAL   A CG2 1 
ATOM   1097 N N   . VAL   A 1 133 ? 8.175   -6.169  -21.405 1.00 21.73 ? 133 VAL   A N   1 
ATOM   1098 C CA  . VAL   A 1 133 ? 7.697   -7.525  -21.593 1.00 20.66 ? 133 VAL   A CA  1 
ATOM   1099 C C   . VAL   A 1 133 ? 8.749   -8.291  -22.371 1.00 28.44 ? 133 VAL   A C   1 
ATOM   1100 O O   . VAL   A 1 133 ? 9.552   -7.723  -23.124 1.00 28.99 ? 133 VAL   A O   1 
ATOM   1101 C CB  . VAL   A 1 133 ? 6.324   -7.574  -22.301 1.00 25.78 ? 133 VAL   A CB  1 
ATOM   1102 C CG1 . VAL   A 1 133 ? 5.296   -6.811  -21.474 1.00 30.42 ? 133 VAL   A CG1 1 
ATOM   1103 C CG2 . VAL   A 1 133 ? 6.405   -6.997  -23.736 1.00 27.62 ? 133 VAL   A CG2 1 
ATOM   1104 N N   . LEU   A 1 134 ? 8.750   -9.594  -22.177 1.00 22.03 ? 134 LEU   A N   1 
ATOM   1105 C CA  . LEU   A 1 134 ? 9.657   -10.415 -22.942 1.00 23.73 ? 134 LEU   A CA  1 
ATOM   1106 C C   . LEU   A 1 134 ? 9.013   -11.778 -23.103 1.00 25.13 ? 134 LEU   A C   1 
ATOM   1107 O O   . LEU   A 1 134 ? 7.992   -12.087 -22.481 1.00 25.69 ? 134 LEU   A O   1 
ATOM   1108 C CB  . LEU   A 1 134 ? 11.037  -10.502 -22.279 1.00 20.96 ? 134 LEU   A CB  1 
ATOM   1109 C CG  . LEU   A 1 134 ? 11.112  -10.726 -20.777 1.00 29.05 ? 134 LEU   A CG  1 
ATOM   1110 C CD1 . LEU   A 1 134 ? 10.604  -12.088 -20.371 1.00 27.13 ? 134 LEU   A CD1 1 
ATOM   1111 C CD2 . LEU   A 1 134 ? 12.558  -10.574 -20.347 1.00 27.72 ? 134 LEU   A CD2 1 
ATOM   1112 N N   . GLU   A 1 135 ? 9.631   -12.589 -23.949 1.00 24.25 ? 135 GLU   A N   1 
ATOM   1113 C CA  . GLU   A 1 135 ? 9.246   -13.977 -24.109 1.00 25.74 ? 135 GLU   A CA  1 
ATOM   1114 C C   . GLU   A 1 135 ? 9.976   -14.791 -23.054 1.00 25.18 ? 135 GLU   A C   1 
ATOM   1115 O O   . GLU   A 1 135 ? 11.202  -14.939 -23.106 1.00 25.51 ? 135 GLU   A O   1 
ATOM   1116 C CB  . GLU   A 1 135 ? 9.579   -14.474 -25.505 1.00 24.39 ? 135 GLU   A CB  1 
ATOM   1117 C CG  . GLU   A 1 135 ? 9.210   -15.915 -25.682 1.00 28.06 ? 135 GLU   A CG  1 
ATOM   1118 C CD  . GLU   A 1 135 ? 9.930   -16.524 -26.862 1.00 34.58 ? 135 GLU   A CD  1 
ATOM   1119 O OE1 . GLU   A 1 135 ? 9.422   -16.353 -27.989 1.00 30.02 ? 135 GLU   A OE1 1 
ATOM   1120 O OE2 . GLU   A 1 135 ? 10.998  -17.154 -26.649 1.00 29.03 ? 135 GLU   A OE2 1 
ATOM   1121 N N   . ALA   A 1 136 ? 9.222   -15.317 -22.100 1.00 25.95 ? 136 ALA   A N   1 
ATOM   1122 C CA  . ALA   A 1 136 ? 9.783   -16.113 -21.026 1.00 26.95 ? 136 ALA   A CA  1 
ATOM   1123 C C   . ALA   A 1 136 ? 9.471   -17.595 -21.165 1.00 26.02 ? 136 ALA   A C   1 
ATOM   1124 O O   . ALA   A 1 136 ? 9.917   -18.381 -20.325 1.00 28.50 ? 136 ALA   A O   1 
ATOM   1125 C CB  . ALA   A 1 136 ? 9.274   -15.596 -19.672 1.00 24.79 ? 136 ALA   A CB  1 
ATOM   1126 N N   . ALA   A 1 137 ? 8.724   -18.001 -22.202 1.00 30.61 ? 137 ALA   A N   1 
ATOM   1127 C CA  . ALA   A 1 137 ? 8.282   -19.393 -22.306 1.00 36.39 ? 137 ALA   A CA  1 
ATOM   1128 C C   . ALA   A 1 137 ? 9.434   -20.345 -22.593 1.00 35.60 ? 137 ALA   A C   1 
ATOM   1129 O O   . ALA   A 1 137 ? 9.368   -21.522 -22.216 1.00 32.12 ? 137 ALA   A O   1 
ATOM   1130 C CB  . ALA   A 1 137 ? 7.225   -19.547 -23.398 1.00 33.72 ? 137 ALA   A CB  1 
ATOM   1131 N N   . GLY   A 1 138 ? 10.478  -19.866 -23.268 1.00 28.62 ? 138 GLY   A N   1 
ATOM   1132 C CA  . GLY   A 1 138 ? 11.566  -20.745 -23.646 1.00 27.90 ? 138 GLY   A CA  1 
ATOM   1133 C C   . GLY   A 1 138 ? 12.287  -21.300 -22.434 1.00 30.93 ? 138 GLY   A C   1 
ATOM   1134 O O   . GLY   A 1 138 ? 12.395  -20.660 -21.387 1.00 28.86 ? 138 GLY   A O   1 
ATOM   1135 N N   . LYS   A 1 139 ? 12.768  -22.532 -22.584 1.00 31.77 ? 139 LYS   A N   1 
ATOM   1136 C CA  . LYS   A 1 139 ? 13.470  -23.214 -21.511 1.00 30.21 ? 139 LYS   A CA  1 
ATOM   1137 C C   . LYS   A 1 139 ? 14.766  -22.500 -21.137 1.00 30.11 ? 139 LYS   A C   1 
ATOM   1138 O O   . LYS   A 1 139 ? 15.148  -22.479 -19.963 1.00 27.15 ? 139 LYS   A O   1 
ATOM   1139 C CB  . LYS   A 1 139 ? 13.717  -24.659 -21.961 1.00 33.78 ? 139 LYS   A CB  1 
ATOM   1140 C CG  . LYS   A 1 139 ? 14.217  -25.645 -20.956 1.00 46.97 ? 139 LYS   A CG  1 
ATOM   1141 C CD  . LYS   A 1 139 ? 14.984  -26.734 -21.722 1.00 60.20 ? 139 LYS   A CD  1 
ATOM   1142 C CE  . LYS   A 1 139 ? 15.713  -27.707 -20.813 1.00 57.98 ? 139 LYS   A CE  1 
ATOM   1143 N NZ  . LYS   A 1 139 ? 15.497  -29.132 -21.185 1.00 57.14 ? 139 LYS   A NZ  1 
ATOM   1144 N N   . ASP   A 1 140 ? 15.460  -21.909 -22.112 1.00 24.26 ? 140 ASP   A N   1 
ATOM   1145 C CA  . ASP   A 1 140 ? 16.692  -21.191 -21.801 1.00 27.26 ? 140 ASP   A CA  1 
ATOM   1146 C C   . ASP   A 1 140 ? 16.440  -20.053 -20.822 1.00 26.73 ? 140 ASP   A C   1 
ATOM   1147 O O   . ASP   A 1 140 ? 17.188  -19.877 -19.855 1.00 28.32 ? 140 ASP   A O   1 
ATOM   1148 C CB  . ASP   A 1 140 ? 17.310  -20.671 -23.089 1.00 25.89 ? 140 ASP   A CB  1 
ATOM   1149 C CG  . ASP   A 1 140 ? 17.718  -21.792 -23.988 1.00 26.16 ? 140 ASP   A CG  1 
ATOM   1150 O OD1 . ASP   A 1 140 ? 18.797  -22.372 -23.737 1.00 29.08 ? 140 ASP   A OD1 1 
ATOM   1151 O OD2 . ASP   A 1 140 ? 16.942  -22.113 -24.909 1.00 28.63 ? 140 ASP   A OD2 1 
ATOM   1152 N N   . PHE   A 1 141 ? 15.366  -19.300 -21.035 1.00 27.11 ? 141 PHE   A N   1 
ATOM   1153 C CA  . PHE   A 1 141 ? 15.009  -18.256 -20.079 1.00 24.32 ? 141 PHE   A CA  1 
ATOM   1154 C C   . PHE   A 1 141 ? 14.648  -18.856 -18.725 1.00 23.35 ? 141 PHE   A C   1 
ATOM   1155 O O   . PHE   A 1 141 ? 15.128  -18.405 -17.678 1.00 27.39 ? 141 PHE   A O   1 
ATOM   1156 C CB  . PHE   A 1 141 ? 13.853  -17.438 -20.637 1.00 21.88 ? 141 PHE   A CB  1 
ATOM   1157 C CG  . PHE   A 1 141 ? 13.546  -16.222 -19.818 1.00 26.42 ? 141 PHE   A CG  1 
ATOM   1158 C CD1 . PHE   A 1 141 ? 12.649  -16.290 -18.772 1.00 27.54 ? 141 PHE   A CD1 1 
ATOM   1159 C CD2 . PHE   A 1 141 ? 14.186  -15.021 -20.083 1.00 28.61 ? 141 PHE   A CD2 1 
ATOM   1160 C CE1 . PHE   A 1 141 ? 12.379  -15.177 -17.993 1.00 30.48 ? 141 PHE   A CE1 1 
ATOM   1161 C CE2 . PHE   A 1 141 ? 13.920  -13.900 -19.310 1.00 29.73 ? 141 PHE   A CE2 1 
ATOM   1162 C CZ  . PHE   A 1 141 ? 13.019  -13.982 -18.264 1.00 29.82 ? 141 PHE   A CZ  1 
ATOM   1163 N N   . GLN   A 1 142 ? 13.761  -19.850 -18.720 1.00 27.23 ? 142 GLN   A N   1 
ATOM   1164 C CA  . GLN   A 1 142 ? 13.339  -20.424 -17.452 1.00 30.17 ? 142 GLN   A CA  1 
ATOM   1165 C C   . GLN   A 1 142 ? 14.515  -20.976 -16.662 1.00 29.77 ? 142 GLN   A C   1 
ATOM   1166 O O   . GLN   A 1 142 ? 14.549  -20.854 -15.436 1.00 27.74 ? 142 GLN   A O   1 
ATOM   1167 C CB  . GLN   A 1 142 ? 12.285  -21.497 -17.686 1.00 30.60 ? 142 GLN   A CB  1 
ATOM   1168 C CG  . GLN   A 1 142 ? 11.036  -20.939 -18.288 1.00 37.19 ? 142 GLN   A CG  1 
ATOM   1169 C CD  . GLN   A 1 142 ? 9.980   -21.992 -18.440 1.00 51.98 ? 142 GLN   A CD  1 
ATOM   1170 O OE1 . GLN   A 1 142 ? 9.819   -22.853 -17.571 1.00 57.47 ? 142 GLN   A OE1 1 
ATOM   1171 N NE2 . GLN   A 1 142 ? 9.256   -21.948 -19.555 1.00 52.73 ? 142 GLN   A NE2 1 
ATOM   1172 N N   . LEU   A 1 143 ? 15.496  -21.571 -17.333 1.00 28.34 ? 143 LEU   A N   1 
ATOM   1173 C CA  . LEU   A 1 143 ? 16.610  -22.171 -16.606 1.00 30.91 ? 143 LEU   A CA  1 
ATOM   1174 C C   . LEU   A 1 143 ? 17.764  -21.209 -16.393 1.00 31.73 ? 143 LEU   A C   1 
ATOM   1175 O O   . LEU   A 1 143 ? 18.817  -21.627 -15.914 1.00 32.33 ? 143 LEU   A O   1 
ATOM   1176 C CB  . LEU   A 1 143 ? 17.116  -23.424 -17.318 1.00 35.35 ? 143 LEU   A CB  1 
ATOM   1177 C CG  . LEU   A 1 143 ? 16.073  -24.533 -17.465 1.00 40.82 ? 143 LEU   A CG  1 
ATOM   1178 C CD1 . LEU   A 1 143 ? 16.709  -25.697 -18.192 1.00 43.66 ? 143 LEU   A CD1 1 
ATOM   1179 C CD2 . LEU   A 1 143 ? 15.511  -24.958 -16.124 1.00 35.40 ? 143 LEU   A CD2 1 
ATOM   1180 N N   . TYR   A 1 144 ? 17.589  -19.935 -16.722 1.00 27.16 ? 144 TYR   A N   1 
ATOM   1181 C CA  . TYR   A 1 144 ? 18.675  -18.972 -16.568 1.00 29.04 ? 144 TYR   A CA  1 
ATOM   1182 C C   . TYR   A 1 144 ? 19.189  -18.936 -15.136 1.00 30.57 ? 144 TYR   A C   1 
ATOM   1183 O O   . TYR   A 1 144 ? 18.414  -18.786 -14.188 1.00 29.10 ? 144 TYR   A O   1 
ATOM   1184 C CB  . TYR   A 1 144 ? 18.183  -17.595 -16.972 1.00 27.67 ? 144 TYR   A CB  1 
ATOM   1185 C CG  . TYR   A 1 144 ? 19.101  -16.455 -16.632 1.00 24.91 ? 144 TYR   A CG  1 
ATOM   1186 C CD1 . TYR   A 1 144 ? 20.201  -16.161 -17.434 1.00 26.15 ? 144 TYR   A CD1 1 
ATOM   1187 C CD2 . TYR   A 1 144 ? 18.840  -15.642 -15.532 1.00 23.97 ? 144 TYR   A CD2 1 
ATOM   1188 C CE1 . TYR   A 1 144 ? 21.027  -15.101 -17.133 1.00 26.01 ? 144 TYR   A CE1 1 
ATOM   1189 C CE2 . TYR   A 1 144 ? 19.648  -14.583 -15.226 1.00 23.39 ? 144 TYR   A CE2 1 
ATOM   1190 C CZ  . TYR   A 1 144 ? 20.732  -14.304 -16.036 1.00 25.35 ? 144 TYR   A CZ  1 
ATOM   1191 O OH  . TYR   A 1 144 ? 21.541  -13.239 -15.746 1.00 25.40 ? 144 TYR   A OH  1 
ATOM   1192 N N   . ARG   A 1 145 ? 20.503  -19.055 -14.975 1.00 28.83 ? 145 ARG   A N   1 
ATOM   1193 C CA  . ARG   A 1 145 ? 21.083  -18.948 -13.643 1.00 34.52 ? 145 ARG   A CA  1 
ATOM   1194 C C   . ARG   A 1 145 ? 22.121  -17.843 -13.516 1.00 34.67 ? 145 ARG   A C   1 
ATOM   1195 O O   . ARG   A 1 145 ? 22.644  -17.639 -12.416 1.00 39.21 ? 145 ARG   A O   1 
ATOM   1196 C CB  . ARG   A 1 145 ? 21.691  -20.286 -13.199 1.00 44.40 ? 145 ARG   A CB  1 
ATOM   1197 C CG  . ARG   A 1 145 ? 20.667  -21.412 -13.095 1.00 54.51 ? 145 ARG   A CG  1 
ATOM   1198 C CD  . ARG   A 1 145 ? 21.314  -22.747 -12.719 1.00 73.24 ? 145 ARG   A CD  1 
ATOM   1199 N NE  . ARG   A 1 145 ? 21.765  -23.505 -13.882 1.00 83.12 ? 145 ARG   A NE  1 
ATOM   1200 C CZ  . ARG   A 1 145 ? 22.978  -23.415 -14.413 1.00 83.92 ? 145 ARG   A CZ  1 
ATOM   1201 N NH1 . ARG   A 1 145 ? 23.909  -22.633 -13.886 1.00 76.13 ? 145 ARG   A NH1 1 
ATOM   1202 N NH2 . ARG   A 1 145 ? 23.269  -24.138 -15.493 1.00 75.21 ? 145 ARG   A NH2 1 
ATOM   1203 N N   . GLY   A 1 146 ? 22.420  -17.123 -14.581 1.00 31.60 ? 146 GLY   A N   1 
ATOM   1204 C CA  . GLY   A 1 146 ? 23.279  -15.960 -14.468 1.00 28.31 ? 146 GLY   A CA  1 
ATOM   1205 C C   . GLY   A 1 146 ? 24.032  -15.725 -15.754 1.00 29.40 ? 146 GLY   A C   1 
ATOM   1206 O O   . GLY   A 1 146 ? 24.006  -16.532 -16.679 1.00 29.46 ? 146 GLY   A O   1 
ATOM   1207 N N   . GLY   A 1 147 ? 24.736  -14.605 -15.787 1.00 29.62 ? 147 GLY   A N   1 
ATOM   1208 C CA  . GLY   A 1 147 ? 25.396  -14.188 -17.002 1.00 28.50 ? 147 GLY   A CA  1 
ATOM   1209 C C   . GLY   A 1 147 ? 24.536  -13.236 -17.799 1.00 32.97 ? 147 GLY   A C   1 
ATOM   1210 O O   . GLY   A 1 147 ? 23.408  -12.888 -17.435 1.00 29.39 ? 147 GLY   A O   1 
ATOM   1211 N N   . ILE   A 1 148 ? 25.092  -12.772 -18.907 1.00 29.11 ? 148 ILE   A N   1 
ATOM   1212 C CA  . ILE   A 1 148 ? 24.341  -11.932 -19.824 1.00 25.67 ? 148 ILE   A CA  1 
ATOM   1213 C C   . ILE   A 1 148 ? 23.581  -12.843 -20.774 1.00 31.99 ? 148 ILE   A C   1 
ATOM   1214 O O   . ILE   A 1 148 ? 24.176  -13.622 -21.527 1.00 30.47 ? 148 ILE   A O   1 
ATOM   1215 C CB  . ILE   A 1 148 ? 25.263  -10.960 -20.568 1.00 28.59 ? 148 ILE   A CB  1 
ATOM   1216 C CG1 . ILE   A 1 148 ? 25.904  -10.044 -19.515 1.00 33.62 ? 148 ILE   A CG1 1 
ATOM   1217 C CG2 . ILE   A 1 148 ? 24.474  -10.191 -21.606 1.00 31.57 ? 148 ILE   A CG2 1 
ATOM   1218 C CD1 . ILE   A 1 148 ? 26.365  -8.751  -20.016 1.00 38.02 ? 148 ILE   A CD1 1 
ATOM   1219 N N   . PHE   A 1 149 ? 22.265  -12.768 -20.716 1.00 24.86 ? 149 PHE   A N   1 
ATOM   1220 C CA  . PHE   A 1 149 ? 21.417  -13.709 -21.424 1.00 25.26 ? 149 PHE   A CA  1 
ATOM   1221 C C   . PHE   A 1 149 ? 21.208  -13.254 -22.860 1.00 23.72 ? 149 PHE   A C   1 
ATOM   1222 O O   . PHE   A 1 149 ? 20.792  -12.123 -23.107 1.00 26.66 ? 149 PHE   A O   1 
ATOM   1223 C CB  . PHE   A 1 149 ? 20.080  -13.852 -20.703 1.00 25.28 ? 149 PHE   A CB  1 
ATOM   1224 C CG  . PHE   A 1 149 ? 19.167  -14.873 -21.316 1.00 26.29 ? 149 PHE   A CG  1 
ATOM   1225 C CD1 . PHE   A 1 149 ? 19.389  -16.219 -21.107 1.00 24.32 ? 149 PHE   A CD1 1 
ATOM   1226 C CD2 . PHE   A 1 149 ? 18.073  -14.478 -22.073 1.00 25.02 ? 149 PHE   A CD2 1 
ATOM   1227 C CE1 . PHE   A 1 149 ? 18.536  -17.168 -21.649 1.00 27.56 ? 149 PHE   A CE1 1 
ATOM   1228 C CE2 . PHE   A 1 149 ? 17.221  -15.419 -22.628 1.00 29.93 ? 149 PHE   A CE2 1 
ATOM   1229 C CZ  . PHE   A 1 149 ? 17.456  -16.764 -22.414 1.00 27.91 ? 149 PHE   A CZ  1 
ATOM   1230 N N   . VAL   A 1 150 ? 21.509  -14.134 -23.811 1.00 24.56 ? 150 VAL   A N   1 
ATOM   1231 C CA  . VAL   A 1 150 ? 21.391  -13.793 -25.227 1.00 29.31 ? 150 VAL   A CA  1 
ATOM   1232 C C   . VAL   A 1 150 ? 20.306  -14.592 -25.903 1.00 29.40 ? 150 VAL   A C   1 
ATOM   1233 O O   . VAL   A 1 150 ? 20.123  -14.479 -27.127 1.00 35.62 ? 150 VAL   A O   1 
ATOM   1234 C CB  . VAL   A 1 150 ? 22.732  -13.981 -25.964 1.00 31.07 ? 150 VAL   A CB  1 
ATOM   1235 C CG1 . VAL   A 1 150 ? 23.792  -13.102 -25.359 1.00 31.37 ? 150 VAL   A CG1 1 
ATOM   1236 C CG2 . VAL   A 1 150 ? 23.158  -15.441 -25.948 1.00 34.56 ? 150 VAL   A CG2 1 
ATOM   1237 N N   . GLY   A 1 151 ? 19.569  -15.389 -25.143 1.00 29.21 ? 151 GLY   A N   1 
ATOM   1238 C CA  . GLY   A 1 151 ? 18.653  -16.331 -25.709 1.00 27.54 ? 151 GLY   A CA  1 
ATOM   1239 C C   . GLY   A 1 151 ? 19.272  -17.710 -25.673 1.00 27.83 ? 151 GLY   A C   1 
ATOM   1240 O O   . GLY   A 1 151 ? 20.173  -17.997 -24.871 1.00 31.90 ? 151 GLY   A O   1 
ATOM   1241 N N   . PRO   A 1 152 ? 18.806  -18.591 -26.540 1.00 25.35 ? 152 PRO   A N   1 
ATOM   1242 C CA  . PRO   A 1 152 ? 17.773  -18.367 -27.559 1.00 24.28 ? 152 PRO   A CA  1 
ATOM   1243 C C   . PRO   A 1 152 ? 16.409  -18.046 -26.984 1.00 28.33 ? 152 PRO   A C   1 
ATOM   1244 O O   . PRO   A 1 152 ? 15.994  -18.492 -25.910 1.00 27.05 ? 152 PRO   A O   1 
ATOM   1245 C CB  . PRO   A 1 152 ? 17.730  -19.684 -28.352 1.00 28.06 ? 152 PRO   A CB  1 
ATOM   1246 C CG  . PRO   A 1 152 ? 18.799  -20.569 -27.813 1.00 30.56 ? 152 PRO   A CG  1 
ATOM   1247 C CD  . PRO   A 1 152 ? 19.399  -19.935 -26.591 1.00 26.91 ? 152 PRO   A CD  1 
ATOM   1248 N N   . CYS   A 1 153 ? 15.726  -17.201 -27.735 1.00 25.67 ? 153 CYS   A N   1 
ATOM   1249 C CA  . CYS   A 1 153 ? 14.339  -16.883 -27.479 1.00 29.42 ? 153 CYS   A CA  1 
ATOM   1250 C C   . CYS   A 1 153 ? 13.776  -16.235 -28.731 1.00 35.94 ? 153 CYS   A C   1 
ATOM   1251 O O   . CYS   A 1 153 ? 14.517  -15.675 -29.546 1.00 34.00 ? 153 CYS   A O   1 
ATOM   1252 C CB  . CYS   A 1 153 ? 14.207  -15.965 -26.263 1.00 28.20 ? 153 CYS   A CB  1 
ATOM   1253 S SG  . CYS   A 1 153 ? 15.289  -14.552 -26.391 1.00 30.58 ? 153 CYS   A SG  1 
ATOM   1254 N N   . GLY   A 1 154 ? 12.470  -16.361 -28.892 1.00 33.44 ? 154 GLY   A N   1 
ATOM   1255 C CA  . GLY   A 1 154 ? 11.747  -15.648 -29.920 1.00 36.86 ? 154 GLY   A CA  1 
ATOM   1256 C C   . GLY   A 1 154 ? 11.242  -14.327 -29.391 1.00 31.88 ? 154 GLY   A C   1 
ATOM   1257 O O   . GLY   A 1 154 ? 11.674  -13.838 -28.346 1.00 34.82 ? 154 GLY   A O   1 
ATOM   1258 N N   A ASN   A 1 155 ? 10.291  -13.755 -30.127 0.57 30.37 ? 155 ASN   A N   1 
ATOM   1259 N N   B ASN   A 1 155 ? 10.303  -13.737 -30.131 0.43 30.43 ? 155 ASN   A N   1 
ATOM   1260 C CA  A ASN   A 1 155 ? 9.683   -12.477 -29.789 0.57 32.10 ? 155 ASN   A CA  1 
ATOM   1261 C CA  B ASN   A 1 155 ? 9.692   -12.473 -29.741 0.43 32.11 ? 155 ASN   A CA  1 
ATOM   1262 C C   A ASN   A 1 155 ? 8.222   -12.627 -29.385 0.57 31.01 ? 155 ASN   A C   1 
ATOM   1263 C C   B ASN   A 1 155 ? 8.225   -12.626 -29.363 0.43 31.03 ? 155 ASN   A C   1 
ATOM   1264 O O   A ASN   A 1 155 ? 7.481   -11.642 -29.388 0.57 32.30 ? 155 ASN   A O   1 
ATOM   1265 O O   B ASN   A 1 155 ? 7.483   -11.640 -29.366 0.43 32.30 ? 155 ASN   A O   1 
ATOM   1266 C CB  A ASN   A 1 155 ? 9.812   -11.499 -30.959 0.57 34.95 ? 155 ASN   A CB  1 
ATOM   1267 C CB  B ASN   A 1 155 ? 9.839   -11.427 -30.849 0.43 34.96 ? 155 ASN   A CB  1 
ATOM   1268 C CG  A ASN   A 1 155 ? 11.247  -11.347 -31.448 0.57 34.49 ? 155 ASN   A CG  1 
ATOM   1269 C CG  B ASN   A 1 155 ? 9.305   -11.902 -32.187 0.43 35.60 ? 155 ASN   A CG  1 
ATOM   1270 O OD1 A ASN   A 1 155 ? 12.112  -10.850 -30.726 0.57 37.52 ? 155 ASN   A OD1 1 
ATOM   1271 O OD1 B ASN   A 1 155 ? 8.421   -12.756 -32.257 0.43 31.04 ? 155 ASN   A OD1 1 
ATOM   1272 N ND2 A ASN   A 1 155 ? 11.496  -11.742 -32.692 0.57 41.26 ? 155 ASN   A ND2 1 
ATOM   1273 N ND2 B ASN   A 1 155 ? 9.809   -11.304 -33.262 0.43 40.16 ? 155 ASN   A ND2 1 
ATOM   1274 N N   . LYS   A 1 156 ? 7.790   -13.843 -29.042 1.00 29.56 ? 156 LYS   A N   1 
ATOM   1275 C CA  . LYS   A 1 156 ? 6.414   -14.091 -28.605 1.00 31.68 ? 156 LYS   A CA  1 
ATOM   1276 C C   . LYS   A 1 156 ? 6.308   -13.710 -27.131 1.00 28.17 ? 156 LYS   A C   1 
ATOM   1277 O O   . LYS   A 1 156 ? 6.229   -14.555 -26.231 1.00 31.18 ? 156 LYS   A O   1 
ATOM   1278 C CB  . LYS   A 1 156 ? 6.016   -15.545 -28.833 1.00 33.34 ? 156 LYS   A CB  1 
ATOM   1279 C CG  . LYS   A 1 156 ? 4.488   -15.811 -28.791 1.00 49.24 ? 156 LYS   A CG  1 
ATOM   1280 C CD  . LYS   A 1 156 ? 3.652   -15.096 -29.872 1.00 59.34 ? 156 LYS   A CD  1 
ATOM   1281 C CE  . LYS   A 1 156 ? 2.596   -16.052 -30.490 1.00 60.62 ? 156 LYS   A CE  1 
ATOM   1282 N NZ  . LYS   A 1 156 ? 2.249   -15.841 -31.952 1.00 47.74 ? 156 LYS   A NZ  1 
ATOM   1283 N N   . VAL   A 1 157 ? 6.300   -12.401 -26.890 1.00 29.17 ? 157 VAL   A N   1 
ATOM   1284 C CA  . VAL   A 1 157 ? 6.374   -11.914 -25.518 1.00 28.98 ? 157 VAL   A CA  1 
ATOM   1285 C C   . VAL   A 1 157 ? 5.171   -12.400 -24.720 1.00 32.16 ? 157 VAL   A C   1 
ATOM   1286 O O   . VAL   A 1 157 ? 4.037   -12.464 -25.212 1.00 28.80 ? 157 VAL   A O   1 
ATOM   1287 C CB  . VAL   A 1 157 ? 6.512   -10.383 -25.503 1.00 26.10 ? 157 VAL   A CB  1 
ATOM   1288 C CG1 . VAL   A 1 157 ? 7.786   -9.970  -26.239 1.00 28.11 ? 157 VAL   A CG1 1 
ATOM   1289 C CG2 . VAL   A 1 157 ? 5.265   -9.694  -26.104 1.00 29.21 ? 157 VAL   A CG2 1 
ATOM   1290 N N   . ASP   A 1 158 ? 5.427   -12.786 -23.477 1.00 28.21 ? 158 ASP   A N   1 
ATOM   1291 C CA  . ASP   A 1 158 ? 4.380   -13.423 -22.686 1.00 24.62 ? 158 ASP   A CA  1 
ATOM   1292 C C   . ASP   A 1 158 ? 4.544   -13.131 -21.201 1.00 26.24 ? 158 ASP   A C   1 
ATOM   1293 O O   . ASP   A 1 158 ? 3.789   -13.688 -20.391 1.00 27.33 ? 158 ASP   A O   1 
ATOM   1294 C CB  . ASP   A 1 158 ? 4.392   -14.937 -22.910 1.00 24.82 ? 158 ASP   A CB  1 
ATOM   1295 C CG  . ASP   A 1 158 ? 5.724   -15.567 -22.537 1.00 33.06 ? 158 ASP   A CG  1 
ATOM   1296 O OD1 . ASP   A 1 158 ? 6.585   -14.878 -21.936 1.00 27.91 ? 158 ASP   A OD1 1 
ATOM   1297 O OD2 . ASP   A 1 158 ? 5.929   -16.754 -22.855 1.00 37.90 ? 158 ASP   A OD2 1 
ATOM   1298 N N   . HIS   A 1 159 ? 5.490   -12.288 -20.820 1.00 23.06 ? 159 HIS   A N   1 
ATOM   1299 C CA  . HIS   A 1 159 ? 5.873   -12.173 -19.420 1.00 20.31 ? 159 HIS   A CA  1 
ATOM   1300 C C   . HIS   A 1 159 ? 6.297   -10.746 -19.145 1.00 25.89 ? 159 HIS   A C   1 
ATOM   1301 O O   . HIS   A 1 159 ? 7.263   -10.265 -19.742 1.00 28.23 ? 159 HIS   A O   1 
ATOM   1302 C CB  . HIS   A 1 159 ? 7.018   -13.123 -19.111 1.00 22.22 ? 159 HIS   A CB  1 
ATOM   1303 C CG  . HIS   A 1 159 ? 7.416   -13.138 -17.668 1.00 24.05 ? 159 HIS   A CG  1 
ATOM   1304 N ND1 . HIS   A 1 159 ? 6.530   -13.450 -16.661 1.00 27.39 ? 159 HIS   A ND1 1 
ATOM   1305 C CD2 . HIS   A 1 159 ? 8.605   -12.901 -17.065 1.00 23.65 ? 159 HIS   A CD2 1 
ATOM   1306 C CE1 . HIS   A 1 159 ? 7.156   -13.401 -15.497 1.00 25.92 ? 159 HIS   A CE1 1 
ATOM   1307 N NE2 . HIS   A 1 159 ? 8.418   -13.082 -15.716 1.00 24.44 ? 159 HIS   A NE2 1 
ATOM   1308 N N   . ALA   A 1 160 ? 5.601   -10.087 -18.232 1.00 22.71 ? 160 ALA   A N   1 
ATOM   1309 C CA  . ALA   A 1 160 ? 5.933   -8.725  -17.868 1.00 23.07 ? 160 ALA   A CA  1 
ATOM   1310 C C   . ALA   A 1 160 ? 6.922   -8.734  -16.712 1.00 24.23 ? 160 ALA   A C   1 
ATOM   1311 O O   . ALA   A 1 160 ? 6.762   -9.476  -15.742 1.00 23.82 ? 160 ALA   A O   1 
ATOM   1312 C CB  . ALA   A 1 160 ? 4.667   -7.959  -17.490 1.00 24.71 ? 160 ALA   A CB  1 
ATOM   1313 N N   . VAL   A 1 161 ? 7.942   -7.902  -16.827 1.00 21.94 ? 161 VAL   A N   1 
ATOM   1314 C CA  . VAL   A 1 161 ? 8.985   -7.775  -15.825 1.00 21.43 ? 161 VAL   A CA  1 
ATOM   1315 C C   . VAL   A 1 161 ? 9.291   -6.290  -15.717 1.00 21.87 ? 161 VAL   A C   1 
ATOM   1316 O O   . VAL   A 1 161 ? 8.586   -5.461  -16.298 1.00 25.31 ? 161 VAL   A O   1 
ATOM   1317 C CB  . VAL   A 1 161 ? 10.235  -8.594  -16.198 1.00 23.46 ? 161 VAL   A CB  1 
ATOM   1318 C CG1 . VAL   A 1 161 ? 9.977   -10.063 -16.020 1.00 24.16 ? 161 VAL   A CG1 1 
ATOM   1319 C CG2 . VAL   A 1 161 ? 10.642  -8.295  -17.645 1.00 28.07 ? 161 VAL   A CG2 1 
ATOM   1320 N N   . ALA   A 1 162 ? 10.323  -5.933  -14.965 1.00 23.48 ? 162 ALA   A N   1 
ATOM   1321 C CA  . ALA   A 1 162 ? 10.683  -4.533  -14.805 1.00 24.50 ? 162 ALA   A CA  1 
ATOM   1322 C C   . ALA   A 1 162 ? 12.164  -4.365  -15.084 1.00 23.67 ? 162 ALA   A C   1 
ATOM   1323 O O   . ALA   A 1 162 ? 12.994  -5.104  -14.543 1.00 26.87 ? 162 ALA   A O   1 
ATOM   1324 C CB  . ALA   A 1 162 ? 10.354  -4.024  -13.403 1.00 22.37 ? 162 ALA   A CB  1 
ATOM   1325 N N   . ALA   A 1 163 ? 12.486  -3.393  -15.921 1.00 23.13 ? 163 ALA   A N   1 
ATOM   1326 C CA  . ALA   A 1 163 ? 13.862  -3.007  -16.188 1.00 24.51 ? 163 ALA   A CA  1 
ATOM   1327 C C   . ALA   A 1 163 ? 14.258  -1.984  -15.144 1.00 23.71 ? 163 ALA   A C   1 
ATOM   1328 O O   . ALA   A 1 163 ? 13.607  -0.944  -15.030 1.00 26.67 ? 163 ALA   A O   1 
ATOM   1329 C CB  . ALA   A 1 163 ? 13.994  -2.409  -17.589 1.00 25.13 ? 163 ALA   A CB  1 
ATOM   1330 N N   . VAL   A 1 164 ? 15.302  -2.287  -14.375 1.00 20.98 ? 164 VAL   A N   1 
ATOM   1331 C CA  . VAL   A 1 164 ? 15.748  -1.449  -13.272 1.00 21.40 ? 164 VAL   A CA  1 
ATOM   1332 C C   . VAL   A 1 164 ? 17.184  -0.987  -13.468 1.00 24.61 ? 164 VAL   A C   1 
ATOM   1333 O O   . VAL   A 1 164 ? 17.811  -0.495  -12.527 1.00 25.94 ? 164 VAL   A O   1 
ATOM   1334 C CB  . VAL   A 1 164 ? 15.594  -2.172  -11.918 1.00 23.76 ? 164 VAL   A CB  1 
ATOM   1335 C CG1 . VAL   A 1 164 ? 14.141  -2.474  -11.649 1.00 28.04 ? 164 VAL   A CG1 1 
ATOM   1336 C CG2 . VAL   A 1 164 ? 16.438  -3.440  -11.860 1.00 24.63 ? 164 VAL   A CG2 1 
ATOM   1337 N N   . GLY   A 1 165 ? 17.736  -1.194  -14.652 1.00 23.78 ? 165 GLY   A N   1 
ATOM   1338 C CA  . GLY   A 1 165 ? 19.087  -0.755  -14.913 1.00 26.16 ? 165 GLY   A CA  1 
ATOM   1339 C C   . GLY   A 1 165 ? 19.556  -1.254  -16.257 1.00 21.32 ? 165 GLY   A C   1 
ATOM   1340 O O   . GLY   A 1 165 ? 18.839  -1.945  -16.983 1.00 21.74 ? 165 GLY   A O   1 
ATOM   1341 N N   . TYR   A 1 166 ? 20.785  -0.877  -16.582 1.00 21.66 ? 166 TYR   A N   1 
ATOM   1342 C CA  . TYR   A 1 166 ? 21.396  -1.336  -17.819 1.00 19.45 ? 166 TYR   A CA  1 
ATOM   1343 C C   . TYR   A 1 166 ? 22.888  -1.110  -17.700 1.00 24.98 ? 166 TYR   A C   1 
ATOM   1344 O O   . TYR   A 1 166 ? 23.368  -0.416  -16.793 1.00 25.35 ? 166 TYR   A O   1 
ATOM   1345 C CB  . TYR   A 1 166 ? 20.828  -0.634  -19.059 1.00 23.35 ? 166 TYR   A CB  1 
ATOM   1346 C CG  . TYR   A 1 166 ? 21.093  0.842   -19.093 1.00 21.44 ? 166 TYR   A CG  1 
ATOM   1347 C CD1 . TYR   A 1 166 ? 22.362  1.335   -19.412 1.00 28.28 ? 166 TYR   A CD1 1 
ATOM   1348 C CD2 . TYR   A 1 166 ? 20.086  1.755   -18.771 1.00 25.11 ? 166 TYR   A CD2 1 
ATOM   1349 C CE1 . TYR   A 1 166 ? 22.626  2.692   -19.434 1.00 27.47 ? 166 TYR   A CE1 1 
ATOM   1350 C CE2 . TYR   A 1 166 ? 20.344  3.134   -18.794 1.00 26.93 ? 166 TYR   A CE2 1 
ATOM   1351 C CZ  . TYR   A 1 166 ? 21.619  3.583   -19.123 1.00 29.53 ? 166 TYR   A CZ  1 
ATOM   1352 O OH  . TYR   A 1 166 ? 21.908  4.931   -19.143 1.00 29.21 ? 166 TYR   A OH  1 
ATOM   1353 N N   . GLY   A 1 167 ? 23.610  -1.725  -18.628 1.00 23.64 ? 167 GLY   A N   1 
ATOM   1354 C CA  . GLY   A 1 167 ? 25.026  -1.524  -18.769 1.00 23.61 ? 167 GLY   A CA  1 
ATOM   1355 C C   . GLY   A 1 167 ? 25.347  -1.459  -20.241 1.00 23.82 ? 167 GLY   A C   1 
ATOM   1356 O O   . GLY   A 1 167 ? 24.457  -1.497  -21.101 1.00 27.65 ? 167 GLY   A O   1 
ATOM   1357 N N   . PRO   A 1 168 ? 26.629  -1.377  -20.565 1.00 26.95 ? 168 PRO   A N   1 
ATOM   1358 C CA  . PRO   A 1 168 ? 27.024  -1.315  -21.982 1.00 29.70 ? 168 PRO   A CA  1 
ATOM   1359 C C   . PRO   A 1 168 ? 26.442  -2.425  -22.829 1.00 29.29 ? 168 PRO   A C   1 
ATOM   1360 O O   . PRO   A 1 168 ? 26.122  -2.202  -24.000 1.00 31.39 ? 168 PRO   A O   1 
ATOM   1361 C CB  . PRO   A 1 168 ? 28.556  -1.416  -21.907 1.00 30.30 ? 168 PRO   A CB  1 
ATOM   1362 C CG  . PRO   A 1 168 ? 28.897  -0.783  -20.614 1.00 26.39 ? 168 PRO   A CG  1 
ATOM   1363 C CD  . PRO   A 1 168 ? 27.773  -1.183  -19.658 1.00 27.09 ? 168 PRO   A CD  1 
ATOM   1364 N N   A ASN   A 1 169 ? 26.289  -3.628  -22.269 0.60 28.84 ? 169 ASN   A N   1 
ATOM   1365 N N   B ASN   A 1 169 ? 26.277  -3.623  -22.275 0.40 28.86 ? 169 ASN   A N   1 
ATOM   1366 C CA  A ASN   A 1 169 ? 25.900  -4.792  -23.058 0.60 30.86 ? 169 ASN   A CA  1 
ATOM   1367 C CA  B ASN   A 1 169 ? 25.888  -4.777  -23.074 0.40 30.82 ? 169 ASN   A CA  1 
ATOM   1368 C C   A ASN   A 1 169 ? 24.670  -5.499  -22.495 0.60 27.76 ? 169 ASN   A C   1 
ATOM   1369 C C   B ASN   A 1 169 ? 24.616  -5.449  -22.574 0.40 27.76 ? 169 ASN   A C   1 
ATOM   1370 O O   A ASN   A 1 169 ? 24.408  -6.647  -22.854 0.60 27.96 ? 169 ASN   A O   1 
ATOM   1371 O O   B ASN   A 1 169 ? 24.271  -6.528  -23.062 0.40 27.96 ? 169 ASN   A O   1 
ATOM   1372 C CB  A ASN   A 1 169 ? 27.073  -5.774  -23.174 0.60 31.99 ? 169 ASN   A CB  1 
ATOM   1373 C CB  B ASN   A 1 169 ? 27.038  -5.789  -23.111 0.40 31.96 ? 169 ASN   A CB  1 
ATOM   1374 C CG  A ASN   A 1 169 ? 27.691  -6.125  -21.824 0.60 30.97 ? 169 ASN   A CG  1 
ATOM   1375 C CG  B ASN   A 1 169 ? 28.188  -5.326  -23.980 0.40 31.93 ? 169 ASN   A CG  1 
ATOM   1376 O OD1 A ASN   A 1 169 ? 27.489  -5.435  -20.820 0.60 33.28 ? 169 ASN   A OD1 1 
ATOM   1377 O OD1 B ASN   A 1 169 ? 27.998  -4.570  -24.930 0.40 36.08 ? 169 ASN   A OD1 1 
ATOM   1378 N ND2 A ASN   A 1 169 ? 28.488  -7.188  -21.809 0.60 39.61 ? 169 ASN   A ND2 1 
ATOM   1379 N ND2 B ASN   A 1 169 ? 29.395  -5.747  -23.633 0.40 39.94 ? 169 ASN   A ND2 1 
ATOM   1380 N N   . TYR   A 1 170 ? 23.902  -4.849  -21.627 1.00 25.05 ? 170 TYR   A N   1 
ATOM   1381 C CA  . TYR   A 1 170 ? 22.769  -5.547  -21.048 1.00 25.62 ? 170 TYR   A CA  1 
ATOM   1382 C C   . TYR   A 1 170 ? 21.753  -4.564  -20.517 1.00 25.27 ? 170 TYR   A C   1 
ATOM   1383 O O   . TYR   A 1 170 ? 22.039  -3.383  -20.300 1.00 22.48 ? 170 TYR   A O   1 
ATOM   1384 C CB  . TYR   A 1 170 ? 23.199  -6.493  -19.918 1.00 24.24 ? 170 TYR   A CB  1 
ATOM   1385 C CG  . TYR   A 1 170 ? 23.797  -5.774  -18.726 1.00 24.96 ? 170 TYR   A CG  1 
ATOM   1386 C CD1 . TYR   A 1 170 ? 22.984  -5.292  -17.689 1.00 27.06 ? 170 TYR   A CD1 1 
ATOM   1387 C CD2 . TYR   A 1 170 ? 25.163  -5.543  -18.648 1.00 29.15 ? 170 TYR   A CD2 1 
ATOM   1388 C CE1 . TYR   A 1 170 ? 23.525  -4.616  -16.609 1.00 27.95 ? 170 TYR   A CE1 1 
ATOM   1389 C CE2 . TYR   A 1 170 ? 25.716  -4.872  -17.571 1.00 30.92 ? 170 TYR   A CE2 1 
ATOM   1390 C CZ  . TYR   A 1 170 ? 24.891  -4.413  -16.556 1.00 33.31 ? 170 TYR   A CZ  1 
ATOM   1391 O OH  . TYR   A 1 170 ? 25.425  -3.739  -15.490 1.00 32.57 ? 170 TYR   A OH  1 
ATOM   1392 N N   . ILE   A 1 171 ? 20.553  -5.084  -20.317 1.00 23.29 ? 171 ILE   A N   1 
ATOM   1393 C CA  . ILE   A 1 171 ? 19.500  -4.408  -19.578 1.00 21.96 ? 171 ILE   A CA  1 
ATOM   1394 C C   . ILE   A 1 171 ? 19.246  -5.271  -18.348 1.00 27.08 ? 171 ILE   A C   1 
ATOM   1395 O O   . ILE   A 1 171 ? 19.206  -6.503  -18.449 1.00 24.88 ? 171 ILE   A O   1 
ATOM   1396 C CB  . ILE   A 1 171 ? 18.241  -4.219  -20.443 1.00 21.32 ? 171 ILE   A CB  1 
ATOM   1397 C CG1 . ILE   A 1 171 ? 18.544  -3.204  -21.553 1.00 27.96 ? 171 ILE   A CG1 1 
ATOM   1398 C CG2 . ILE   A 1 171 ? 17.073  -3.647  -19.603 1.00 19.44 ? 171 ILE   A CG2 1 
ATOM   1399 C CD1 . ILE   A 1 171 ? 17.548  -3.212  -22.675 1.00 32.14 ? 171 ILE   A CD1 1 
ATOM   1400 N N   . LEU   A 1 172 ? 19.164  -4.638  -17.187 1.00 22.89 ? 172 LEU   A N   1 
ATOM   1401 C CA  . LEU   A 1 172 ? 19.001  -5.352  -15.928 1.00 23.89 ? 172 LEU   A CA  1 
ATOM   1402 C C   . LEU   A 1 172 ? 17.520  -5.460  -15.584 1.00 22.35 ? 172 LEU   A C   1 
ATOM   1403 O O   . LEU   A 1 172 ? 16.822  -4.445  -15.496 1.00 23.37 ? 172 LEU   A O   1 
ATOM   1404 C CB  . LEU   A 1 172 ? 19.766  -4.626  -14.821 1.00 26.33 ? 172 LEU   A CB  1 
ATOM   1405 C CG  . LEU   A 1 172 ? 19.565  -5.164  -13.409 1.00 23.71 ? 172 LEU   A CG  1 
ATOM   1406 C CD1 . LEU   A 1 172 ? 20.209  -6.542  -13.352 1.00 23.92 ? 172 LEU   A CD1 1 
ATOM   1407 C CD2 . LEU   A 1 172 ? 20.225  -4.210  -12.423 1.00 25.63 ? 172 LEU   A CD2 1 
ATOM   1408 N N   . ILE   A 1 173 ? 17.046  -6.687  -15.355 1.00 22.04 ? 173 ILE   A N   1 
ATOM   1409 C CA  . ILE   A 1 173 ? 15.621  -6.972  -15.224 1.00 20.69 ? 173 ILE   A CA  1 
ATOM   1410 C C   . ILE   A 1 173 ? 15.337  -7.576  -13.852 1.00 23.70 ? 173 ILE   A C   1 
ATOM   1411 O O   . ILE   A 1 173 ? 16.010  -8.522  -13.434 1.00 24.13 ? 173 ILE   A O   1 
ATOM   1412 C CB  . ILE   A 1 173 ? 15.134  -7.926  -16.329 1.00 21.07 ? 173 ILE   A CB  1 
ATOM   1413 C CG1 . ILE   A 1 173 ? 15.365  -7.330  -17.723 1.00 30.97 ? 173 ILE   A CG1 1 
ATOM   1414 C CG2 . ILE   A 1 173 ? 13.697  -8.389  -16.056 1.00 20.93 ? 173 ILE   A CG2 1 
ATOM   1415 C CD1 . ILE   A 1 173 ? 14.666  -6.041  -17.935 1.00 27.30 ? 173 ILE   A CD1 1 
ATOM   1416 N N   . LYS   A 1 174 ? 14.339  -7.033  -13.167 1.00 20.31 ? 174 LYS   A N   1 
ATOM   1417 C CA  . LYS   A 1 174 ? 13.800  -7.623  -11.947 1.00 21.71 ? 174 LYS   A CA  1 
ATOM   1418 C C   . LYS   A 1 174 ? 12.686  -8.570  -12.347 1.00 23.22 ? 174 LYS   A C   1 
ATOM   1419 O O   . LYS   A 1 174 ? 11.676  -8.144  -12.913 1.00 21.85 ? 174 LYS   A O   1 
ATOM   1420 C CB  . LYS   A 1 174 ? 13.277  -6.548  -10.995 1.00 22.41 ? 174 LYS   A CB  1 
ATOM   1421 C CG  . LYS   A 1 174 ? 12.855  -7.108  -9.641  1.00 18.85 ? 174 LYS   A CG  1 
ATOM   1422 C CD  . LYS   A 1 174 ? 12.225  -6.033  -8.777  1.00 18.56 ? 174 LYS   A CD  1 
ATOM   1423 C CE  . LYS   A 1 174 ? 12.009  -6.505  -7.344  1.00 23.19 ? 174 LYS   A CE  1 
ATOM   1424 N NZ  . LYS   A 1 174 ? 11.355  -5.435  -6.533  1.00 22.80 ? 174 LYS   A NZ  1 
ATOM   1425 N N   . ASN   A 1 175 ? 12.882  -9.855  -12.090 1.00 20.66 ? 175 ASN   A N   1 
ATOM   1426 C CA  . ASN   A 1 175 ? 11.837  -10.821 -12.367 1.00 22.27 ? 175 ASN   A CA  1 
ATOM   1427 C C   . ASN   A 1 175 ? 11.029  -11.069 -11.092 1.00 20.97 ? 175 ASN   A C   1 
ATOM   1428 O O   . ASN   A 1 175 ? 11.396  -10.641 -9.993  1.00 22.26 ? 175 ASN   A O   1 
ATOM   1429 C CB  . ASN   A 1 175 ? 12.451  -12.110 -12.896 1.00 21.62 ? 175 ASN   A CB  1 
ATOM   1430 C CG  . ASN   A 1 175 ? 11.467  -12.958 -13.677 1.00 23.15 ? 175 ASN   A CG  1 
ATOM   1431 O OD1 . ASN   A 1 175 ? 10.293  -12.598 -13.865 1.00 21.99 ? 175 ASN   A OD1 1 
ATOM   1432 N ND2 . ASN   A 1 175 ? 11.946  -14.091 -14.151 1.00 24.27 ? 175 ASN   A ND2 1 
ATOM   1433 N N   . SER   A 1 176 ? 9.930   -11.793 -11.240 1.00 21.63 ? 176 SER   A N   1 
ATOM   1434 C CA  . SER   A 1 176 ? 9.034   -12.069 -10.126 1.00 21.34 ? 176 SER   A CA  1 
ATOM   1435 C C   . SER   A 1 176 ? 8.956   -13.564 -9.872  1.00 21.72 ? 176 SER   A C   1 
ATOM   1436 O O   . SER   A 1 176 ? 7.901   -14.113 -9.554  1.00 24.65 ? 176 SER   A O   1 
ATOM   1437 C CB  . SER   A 1 176 ? 7.649   -11.498 -10.407 1.00 21.11 ? 176 SER   A CB  1 
ATOM   1438 O OG  . SER   A 1 176 ? 7.276   -11.890 -11.714 1.00 23.35 ? 176 SER   A OG  1 
ATOM   1439 N N   . TRP   A 1 177 ? 10.082  -14.244 -10.040 1.00 18.37 ? 177 TRP   A N   1 
ATOM   1440 C CA  . TRP   A 1 177 ? 10.143  -15.681 -9.842  1.00 20.64 ? 177 TRP   A CA  1 
ATOM   1441 C C   . TRP   A 1 177 ? 10.945  -16.031 -8.594  1.00 22.30 ? 177 TRP   A C   1 
ATOM   1442 O O   . TRP   A 1 177 ? 11.537  -17.106 -8.522  1.00 23.52 ? 177 TRP   A O   1 
ATOM   1443 C CB  . TRP   A 1 177 ? 10.747  -16.354 -11.076 1.00 21.65 ? 177 TRP   A CB  1 
ATOM   1444 C CG  . TRP   A 1 177 ? 9.844   -16.356 -12.258 1.00 24.36 ? 177 TRP   A CG  1 
ATOM   1445 C CD1 . TRP   A 1 177 ? 8.545   -15.940 -12.308 1.00 23.23 ? 177 TRP   A CD1 1 
ATOM   1446 C CD2 . TRP   A 1 177 ? 10.183  -16.801 -13.573 1.00 21.84 ? 177 TRP   A CD2 1 
ATOM   1447 N NE1 . TRP   A 1 177 ? 8.044   -16.100 -13.600 1.00 26.40 ? 177 TRP   A NE1 1 
ATOM   1448 C CE2 . TRP   A 1 177 ? 9.040   -16.626 -14.387 1.00 24.84 ? 177 TRP   A CE2 1 
ATOM   1449 C CE3 . TRP   A 1 177 ? 11.348  -17.335 -14.143 1.00 24.98 ? 177 TRP   A CE3 1 
ATOM   1450 C CZ2 . TRP   A 1 177 ? 9.028   -16.967 -15.742 1.00 29.21 ? 177 TRP   A CZ2 1 
ATOM   1451 C CZ3 . TRP   A 1 177 ? 11.329  -17.670 -15.502 1.00 26.91 ? 177 TRP   A CZ3 1 
ATOM   1452 C CH2 . TRP   A 1 177 ? 10.176  -17.488 -16.273 1.00 25.71 ? 177 TRP   A CH2 1 
ATOM   1453 N N   . GLY   A 1 178 ? 11.008  -15.120 -7.622  1.00 23.99 ? 178 GLY   A N   1 
ATOM   1454 C CA  . GLY   A 1 178 ? 11.692  -15.389 -6.375  1.00 21.66 ? 178 GLY   A CA  1 
ATOM   1455 C C   . GLY   A 1 178 ? 13.194  -15.183 -6.489  1.00 19.01 ? 178 GLY   A C   1 
ATOM   1456 O O   . GLY   A 1 178 ? 13.759  -14.971 -7.570  1.00 24.43 ? 178 GLY   A O   1 
ATOM   1457 N N   . THR   A 1 179 ? 13.870  -15.304 -5.346  1.00 20.96 ? 179 THR   A N   1 
ATOM   1458 C CA  . THR   A 1 179 ? 15.285  -14.975 -5.324  1.00 23.39 ? 179 THR   A CA  1 
ATOM   1459 C C   . THR   A 1 179 ? 16.155  -16.117 -5.809  1.00 26.24 ? 179 THR   A C   1 
ATOM   1460 O O   . THR   A 1 179 ? 17.362  -15.916 -5.981  1.00 31.72 ? 179 THR   A O   1 
ATOM   1461 C CB  . THR   A 1 179 ? 15.731  -14.591 -3.908  1.00 29.19 ? 179 THR   A CB  1 
ATOM   1462 O OG1 . THR   A 1 179 ? 15.384  -15.648 -3.004  1.00 25.11 ? 179 THR   A OG1 1 
ATOM   1463 C CG2 . THR   A 1 179 ? 15.020  -13.307 -3.465  1.00 26.57 ? 179 THR   A CG2 1 
ATOM   1464 N N   . GLY   A 1 180 ? 15.582  -17.308 -6.000  1.00 26.28 ? 180 GLY   A N   1 
ATOM   1465 C CA  . GLY   A 1 180 ? 16.340  -18.467 -6.446  1.00 27.21 ? 180 GLY   A CA  1 
ATOM   1466 C C   . GLY   A 1 180 ? 16.581  -18.517 -7.935  1.00 29.17 ? 180 GLY   A C   1 
ATOM   1467 O O   . GLY   A 1 180 ? 17.384  -19.320 -8.418  1.00 34.21 ? 180 GLY   A O   1 
ATOM   1468 N N   . TRP   A 1 181 ? 15.904  -17.670 -8.680  1.00 27.10 ? 181 TRP   A N   1 
ATOM   1469 C CA  . TRP   A 1 181 ? 16.004  -17.675 -10.128 1.00 23.05 ? 181 TRP   A CA  1 
ATOM   1470 C C   . TRP   A 1 181 ? 17.031  -16.649 -10.580 1.00 23.40 ? 181 TRP   A C   1 
ATOM   1471 O O   . TRP   A 1 181 ? 17.106  -15.546 -10.034 1.00 23.13 ? 181 TRP   A O   1 
ATOM   1472 C CB  . TRP   A 1 181 ? 14.642  -17.369 -10.758 1.00 24.40 ? 181 TRP   A CB  1 
ATOM   1473 C CG  . TRP   A 1 181 ? 14.686  -17.364 -12.229 1.00 27.07 ? 181 TRP   A CG  1 
ATOM   1474 C CD1 . TRP   A 1 181 ? 14.509  -18.431 -13.057 1.00 24.09 ? 181 TRP   A CD1 1 
ATOM   1475 C CD2 . TRP   A 1 181 ? 14.906  -16.229 -13.070 1.00 22.01 ? 181 TRP   A CD2 1 
ATOM   1476 N NE1 . TRP   A 1 181 ? 14.614  -18.036 -14.375 1.00 23.67 ? 181 TRP   A NE1 1 
ATOM   1477 C CE2 . TRP   A 1 181 ? 14.857  -16.688 -14.411 1.00 22.93 ? 181 TRP   A CE2 1 
ATOM   1478 C CE3 . TRP   A 1 181 ? 15.147  -14.866 -12.824 1.00 22.34 ? 181 TRP   A CE3 1 
ATOM   1479 C CZ2 . TRP   A 1 181 ? 15.023  -15.841 -15.495 1.00 23.56 ? 181 TRP   A CZ2 1 
ATOM   1480 C CZ3 . TRP   A 1 181 ? 15.318  -14.026 -13.916 1.00 25.60 ? 181 TRP   A CZ3 1 
ATOM   1481 C CH2 . TRP   A 1 181 ? 15.258  -14.523 -15.238 1.00 23.86 ? 181 TRP   A CH2 1 
ATOM   1482 N N   . GLY   A 1 182 ? 17.806  -17.012 -11.592 1.00 22.37 ? 182 GLY   A N   1 
ATOM   1483 C CA  . GLY   A 1 182 ? 18.707  -16.049 -12.186 1.00 22.46 ? 182 GLY   A CA  1 
ATOM   1484 C C   . GLY   A 1 182 ? 19.706  -15.529 -11.178 1.00 25.74 ? 182 GLY   A C   1 
ATOM   1485 O O   . GLY   A 1 182 ? 20.219  -16.266 -10.330 1.00 28.67 ? 182 GLY   A O   1 
ATOM   1486 N N   . GLU   A 1 183 ? 19.991  -14.233 -11.262 1.00 23.92 ? 183 GLU   A N   1 
ATOM   1487 C CA  . GLU   A 1 183 ? 21.004  -13.616 -10.401 1.00 23.63 ? 183 GLU   A CA  1 
ATOM   1488 C C   . GLU   A 1 183 ? 20.293  -12.997 -9.204  1.00 23.82 ? 183 GLU   A C   1 
ATOM   1489 O O   . GLU   A 1 183 ? 19.991  -11.803 -9.170  1.00 24.09 ? 183 GLU   A O   1 
ATOM   1490 C CB  . GLU   A 1 183 ? 21.818  -12.585 -11.182 1.00 27.13 ? 183 GLU   A CB  1 
ATOM   1491 C CG  . GLU   A 1 183 ? 22.446  -13.148 -12.446 1.00 30.35 ? 183 GLU   A CG  1 
ATOM   1492 C CD  . GLU   A 1 183 ? 23.407  -12.183 -13.126 1.00 30.27 ? 183 GLU   A CD  1 
ATOM   1493 O OE1 . GLU   A 1 183 ? 23.139  -10.961 -13.127 1.00 30.50 ? 183 GLU   A OE1 1 
ATOM   1494 O OE2 . GLU   A 1 183 ? 24.405  -12.660 -13.710 1.00 31.70 ? 183 GLU   A OE2 1 
ATOM   1495 N N   . ASN   A 1 184 ? 20.034  -13.836 -8.189  1.00 24.73 ? 184 ASN   A N   1 
ATOM   1496 C CA  . ASN   A 1 184 ? 19.270  -13.407 -7.014  1.00 25.66 ? 184 ASN   A CA  1 
ATOM   1497 C C   . ASN   A 1 184 ? 17.919  -12.820 -7.421  1.00 22.46 ? 184 ASN   A C   1 
ATOM   1498 O O   . ASN   A 1 184 ? 17.424  -11.863 -6.808  1.00 24.81 ? 184 ASN   A O   1 
ATOM   1499 C CB  . ASN   A 1 184 ? 20.049  -12.395 -6.173  1.00 27.28 ? 184 ASN   A CB  1 
ATOM   1500 C CG  . ASN   A 1 184 ? 21.362  -12.948 -5.666  1.00 36.84 ? 184 ASN   A CG  1 
ATOM   1501 O OD1 . ASN   A 1 184 ? 21.514  -14.158 -5.503  1.00 30.59 ? 184 ASN   A OD1 1 
ATOM   1502 N ND2 . ASN   A 1 184 ? 22.310  -12.065 -5.398  1.00 40.56 ? 184 ASN   A ND2 1 
ATOM   1503 N N   . GLY   A 1 185 ? 17.334  -13.364 -8.482  1.00 20.66 ? 185 GLY   A N   1 
ATOM   1504 C CA  . GLY   A 1 185 ? 16.024  -12.931 -8.917  1.00 21.79 ? 185 GLY   A CA  1 
ATOM   1505 C C   . GLY   A 1 185 ? 16.030  -11.985 -10.096 1.00 25.17 ? 185 GLY   A C   1 
ATOM   1506 O O   . GLY   A 1 185 ? 14.951  -11.608 -10.563 1.00 24.19 ? 185 GLY   A O   1 
ATOM   1507 N N   . TYR   A 1 186 ? 17.207  -11.581 -10.567 1.00 22.04 ? 186 TYR   A N   1 
ATOM   1508 C CA  . TYR   A 1 186 ? 17.405  -10.644 -11.663 1.00 20.60 ? 186 TYR   A CA  1 
ATOM   1509 C C   . TYR   A 1 186 ? 17.989  -11.371 -12.861 1.00 23.44 ? 186 TYR   A C   1 
ATOM   1510 O O   . TYR   A 1 186 ? 18.565  -12.456 -12.728 1.00 24.78 ? 186 TYR   A O   1 
ATOM   1511 C CB  . TYR   A 1 186 ? 18.368  -9.521  -11.259 1.00 22.42 ? 186 TYR   A CB  1 
ATOM   1512 C CG  . TYR   A 1 186 ? 17.784  -8.612  -10.220 1.00 20.82 ? 186 TYR   A CG  1 
ATOM   1513 C CD1 . TYR   A 1 186 ? 17.845  -8.947  -8.859  1.00 23.41 ? 186 TYR   A CD1 1 
ATOM   1514 C CD2 . TYR   A 1 186 ? 17.189  -7.405  -10.585 1.00 21.49 ? 186 TYR   A CD2 1 
ATOM   1515 C CE1 . TYR   A 1 186 ? 17.297  -8.112  -7.899  1.00 22.77 ? 186 TYR   A CE1 1 
ATOM   1516 C CE2 . TYR   A 1 186 ? 16.649  -6.569  -9.637  1.00 23.40 ? 186 TYR   A CE2 1 
ATOM   1517 C CZ  . TYR   A 1 186 ? 16.692  -6.922  -8.308  1.00 26.64 ? 186 TYR   A CZ  1 
ATOM   1518 O OH  . TYR   A 1 186 ? 16.150  -6.071  -7.368  1.00 30.86 ? 186 TYR   A OH  1 
ATOM   1519 N N   . ILE   A 1 187 ? 17.841  -10.756 -14.035 1.00 21.61 ? 187 ILE   A N   1 
ATOM   1520 C CA  . ILE   A 1 187 ? 18.482  -11.238 -15.253 1.00 18.78 ? 187 ILE   A CA  1 
ATOM   1521 C C   . ILE   A 1 187 ? 19.056  -10.035 -15.971 1.00 25.51 ? 187 ILE   A C   1 
ATOM   1522 O O   . ILE   A 1 187 ? 18.450  -8.962  -15.997 1.00 26.53 ? 187 ILE   A O   1 
ATOM   1523 C CB  . ILE   A 1 187 ? 17.508  -12.026 -16.156 1.00 22.94 ? 187 ILE   A CB  1 
ATOM   1524 C CG1 . ILE   A 1 187 ? 18.177  -12.423 -17.473 1.00 23.84 ? 187 ILE   A CG1 1 
ATOM   1525 C CG2 . ILE   A 1 187 ? 16.233  -11.254 -16.423 1.00 20.52 ? 187 ILE   A CG2 1 
ATOM   1526 C CD1 . ILE   A 1 187 ? 17.357  -13.459 -18.238 1.00 26.51 ? 187 ILE   A CD1 1 
ATOM   1527 N N   . ARG   A 1 188 ? 20.252  -10.199 -16.502 1.00 21.33 ? 188 ARG   A N   1 
ATOM   1528 C CA  . ARG   A 1 188 ? 20.839  -9.246  -17.423 1.00 25.69 ? 188 ARG   A CA  1 
ATOM   1529 C C   . ARG   A 1 188 ? 20.671  -9.797  -18.834 1.00 26.72 ? 188 ARG   A C   1 
ATOM   1530 O O   . ARG   A 1 188 ? 21.136  -10.905 -19.142 1.00 29.31 ? 188 ARG   A O   1 
ATOM   1531 C CB  . ARG   A 1 188 ? 22.306  -9.013  -17.078 1.00 22.91 ? 188 ARG   A CB  1 
ATOM   1532 C CG  . ARG   A 1 188 ? 22.495  -8.357  -15.721 1.00 25.89 ? 188 ARG   A CG  1 
ATOM   1533 C CD  . ARG   A 1 188 ? 23.954  -8.234  -15.401 1.00 28.66 ? 188 ARG   A CD  1 
ATOM   1534 N NE  . ARG   A 1 188 ? 24.494  -9.550  -15.099 1.00 29.53 ? 188 ARG   A NE  1 
ATOM   1535 C CZ  . ARG   A 1 188 ? 25.728  -9.938  -15.374 1.00 34.46 ? 188 ARG   A CZ  1 
ATOM   1536 N NH1 . ARG   A 1 188 ? 26.577  -9.136  -15.996 1.00 31.56 ? 188 ARG   A NH1 1 
ATOM   1537 N NH2 . ARG   A 1 188 ? 26.108  -11.168 -15.037 1.00 31.34 ? 188 ARG   A NH2 1 
ATOM   1538 N N   . ILE   A 1 189 ? 19.949  -9.060  -19.661 1.00 23.28 ? 189 ILE   A N   1 
ATOM   1539 C CA  . ILE   A 1 189 ? 19.649  -9.473  -21.025 1.00 27.14 ? 189 ILE   A CA  1 
ATOM   1540 C C   . ILE   A 1 189 ? 20.478  -8.625  -21.960 1.00 26.95 ? 189 ILE   A C   1 
ATOM   1541 O O   . ILE   A 1 189 ? 20.535  -7.401  -21.806 1.00 25.01 ? 189 ILE   A O   1 
ATOM   1542 C CB  . ILE   A 1 189 ? 18.154  -9.348  -21.346 1.00 29.59 ? 189 ILE   A CB  1 
ATOM   1543 C CG1 . ILE   A 1 189 ? 17.366  -10.189 -20.355 1.00 31.36 ? 189 ILE   A CG1 1 
ATOM   1544 C CG2 . ILE   A 1 189 ? 17.879  -9.770  -22.797 1.00 27.53 ? 189 ILE   A CG2 1 
ATOM   1545 C CD1 . ILE   A 1 189 ? 15.925  -10.206 -20.628 1.00 34.55 ? 189 ILE   A CD1 1 
ATOM   1546 N N   . LYS   A 1 190 ? 21.121  -9.279  -22.922 1.00 24.90 ? 190 LYS   A N   1 
ATOM   1547 C CA  . LYS   A 1 190 ? 21.964  -8.581  -23.885 1.00 27.47 ? 190 LYS   A CA  1 
ATOM   1548 C C   . LYS   A 1 190 ? 21.198  -7.468  -24.595 1.00 25.57 ? 190 LYS   A C   1 
ATOM   1549 O O   . LYS   A 1 190 ? 20.032  -7.626  -24.958 1.00 26.94 ? 190 LYS   A O   1 
ATOM   1550 C CB  . LYS   A 1 190 ? 22.489  -9.602  -24.902 1.00 23.16 ? 190 LYS   A CB  1 
ATOM   1551 C CG  . LYS   A 1 190 ? 23.322  -9.016  -26.040 1.00 35.12 ? 190 LYS   A CG  1 
ATOM   1552 C CD  . LYS   A 1 190 ? 24.669  -8.523  -25.569 1.00 37.99 ? 190 LYS   A CD  1 
ATOM   1553 C CE  . LYS   A 1 190 ? 25.703  -8.541  -26.711 1.00 41.41 ? 190 LYS   A CE  1 
ATOM   1554 N NZ  . LYS   A 1 190 ? 26.948  -9.279  -26.345 1.00 48.75 ? 190 LYS   A NZ  1 
ATOM   1555 N N   . ARG   A 1 191 ? 21.865  -6.336  -24.800 1.00 26.22 ? 191 ARG   A N   1 
ATOM   1556 C CA  . ARG   A 1 191 ? 21.341  -5.282  -25.652 1.00 24.42 ? 191 ARG   A CA  1 
ATOM   1557 C C   . ARG   A 1 191 ? 22.353  -4.977  -26.747 1.00 26.19 ? 191 ARG   A C   1 
ATOM   1558 O O   . ARG   A 1 191 ? 23.477  -5.487  -26.746 1.00 28.10 ? 191 ARG   A O   1 
ATOM   1559 C CB  . ARG   A 1 191 ? 21.041  -4.005  -24.862 1.00 27.76 ? 191 ARG   A CB  1 
ATOM   1560 C CG  . ARG   A 1 191 ? 22.282  -3.283  -24.352 1.00 26.66 ? 191 ARG   A CG  1 
ATOM   1561 C CD  . ARG   A 1 191 ? 21.875  -1.971  -23.716 1.00 27.68 ? 191 ARG   A CD  1 
ATOM   1562 N NE  . ARG   A 1 191 ? 23.010  -1.101  -23.448 1.00 26.60 ? 191 ARG   A NE  1 
ATOM   1563 C CZ  . ARG   A 1 191 ? 23.473  -0.203  -24.305 1.00 30.56 ? 191 ARG   A CZ  1 
ATOM   1564 N NH1 . ARG   A 1 191 ? 22.997  -0.121  -25.535 1.00 22.70 ? 191 ARG   A NH1 1 
ATOM   1565 N NH2 . ARG   A 1 191 ? 24.419  0.643   -23.909 1.00 28.48 ? 191 ARG   A NH2 1 
ATOM   1566 N N   . GLY   A 1 192 ? 21.935  -4.124  -27.675 1.00 29.47 ? 192 GLY   A N   1 
ATOM   1567 C CA  . GLY   A 1 192 ? 22.826  -3.665  -28.716 1.00 33.40 ? 192 GLY   A CA  1 
ATOM   1568 C C   . GLY   A 1 192 ? 23.073  -4.675  -29.803 1.00 35.01 ? 192 GLY   A C   1 
ATOM   1569 O O   . GLY   A 1 192 ? 24.104  -4.606  -30.472 1.00 39.58 ? 192 GLY   A O   1 
ATOM   1570 N N   . THR   A 1 193 ? 22.158  -5.614  -30.008 1.00 32.66 ? 193 THR   A N   1 
ATOM   1571 C CA  . THR   A 1 193 ? 22.319  -6.605  -31.058 1.00 36.52 ? 193 THR   A CA  1 
ATOM   1572 C C   . THR   A 1 193 ? 21.791  -6.115  -32.400 1.00 40.11 ? 193 THR   A C   1 
ATOM   1573 O O   . THR   A 1 193 ? 21.917  -6.830  -33.398 1.00 41.09 ? 193 THR   A O   1 
ATOM   1574 C CB  . THR   A 1 193 ? 21.601  -7.902  -30.674 1.00 31.17 ? 193 THR   A CB  1 
ATOM   1575 O OG1 . THR   A 1 193 ? 20.186  -7.703  -30.765 1.00 34.53 ? 193 THR   A OG1 1 
ATOM   1576 C CG2 . THR   A 1 193 ? 21.944  -8.273  -29.255 1.00 32.69 ? 193 THR   A CG2 1 
ATOM   1577 N N   . GLY   A 1 194 ? 21.192  -4.927  -32.452 1.00 37.11 ? 194 GLY   A N   1 
ATOM   1578 C CA  . GLY   A 1 194 ? 20.601  -4.445  -33.682 1.00 41.96 ? 194 GLY   A CA  1 
ATOM   1579 C C   . GLY   A 1 194 ? 19.257  -5.045  -34.021 1.00 49.15 ? 194 GLY   A C   1 
ATOM   1580 O O   . GLY   A 1 194 ? 18.615  -4.587  -34.976 1.00 51.73 ? 194 GLY   A O   1 
ATOM   1581 N N   . ASN   A 1 195 ? 18.820  -6.064  -33.286 1.00 48.76 ? 195 ASN   A N   1 
ATOM   1582 C CA  . ASN   A 1 195 ? 17.468  -6.593  -33.410 1.00 42.91 ? 195 ASN   A CA  1 
ATOM   1583 C C   . ASN   A 1 195 ? 16.482  -5.568  -32.863 1.00 48.14 ? 195 ASN   A C   1 
ATOM   1584 O O   . ASN   A 1 195 ? 16.503  -5.255  -31.666 1.00 42.46 ? 195 ASN   A O   1 
ATOM   1585 C CB  . ASN   A 1 195 ? 17.353  -7.913  -32.645 1.00 47.30 ? 195 ASN   A CB  1 
ATOM   1586 C CG  . ASN   A 1 195 ? 16.030  -8.625  -32.883 1.00 51.90 ? 195 ASN   A CG  1 
ATOM   1587 O OD1 . ASN   A 1 195 ? 15.088  -8.056  -33.445 1.00 54.45 ? 195 ASN   A OD1 1 
ATOM   1588 N ND2 . ASN   A 1 195 ? 15.946  -9.877  -32.428 1.00 53.09 ? 195 ASN   A ND2 1 
ATOM   1589 N N   . SER   A 1 196 ? 15.616  -5.052  -33.739 1.00 37.81 ? 196 SER   A N   1 
ATOM   1590 C CA  . SER   A 1 196 ? 14.666  -4.024  -33.331 1.00 45.42 ? 196 SER   A CA  1 
ATOM   1591 C C   . SER   A 1 196 ? 13.673  -4.541  -32.296 1.00 35.47 ? 196 SER   A C   1 
ATOM   1592 O O   . SER   A 1 196 ? 13.152  -3.750  -31.505 1.00 36.10 ? 196 SER   A O   1 
ATOM   1593 C CB  . SER   A 1 196 ? 13.902  -3.486  -34.546 1.00 47.03 ? 196 SER   A CB  1 
ATOM   1594 O OG  . SER   A 1 196 ? 13.653  -4.513  -35.494 1.00 56.82 ? 196 SER   A OG  1 
ATOM   1595 N N   . TYR   A 1 197 ? 13.362  -5.843  -32.302 1.00 29.60 ? 197 TYR   A N   1 
ATOM   1596 C CA  . TYR   A 1 197 ? 12.454  -6.354  -31.272 1.00 32.84 ? 197 TYR   A CA  1 
ATOM   1597 C C   . TYR   A 1 197 ? 13.101  -6.430  -29.904 1.00 31.77 ? 197 TYR   A C   1 
ATOM   1598 O O   . TYR   A 1 197 ? 12.382  -6.563  -28.905 1.00 30.44 ? 197 TYR   A O   1 
ATOM   1599 C CB  . TYR   A 1 197 ? 11.915  -7.745  -31.607 1.00 35.35 ? 197 TYR   A CB  1 
ATOM   1600 C CG  . TYR   A 1 197 ? 11.207  -7.838  -32.918 1.00 42.34 ? 197 TYR   A CG  1 
ATOM   1601 C CD1 . TYR   A 1 197 ? 9.825   -7.748  -32.980 1.00 46.97 ? 197 TYR   A CD1 1 
ATOM   1602 C CD2 . TYR   A 1 197 ? 11.910  -8.036  -34.092 1.00 51.55 ? 197 TYR   A CD2 1 
ATOM   1603 C CE1 . TYR   A 1 197 ? 9.161   -7.833  -34.179 1.00 52.96 ? 197 TYR   A CE1 1 
ATOM   1604 C CE2 . TYR   A 1 197 ? 11.256  -8.123  -35.299 1.00 57.48 ? 197 TYR   A CE2 1 
ATOM   1605 C CZ  . TYR   A 1 197 ? 9.884   -8.024  -35.339 1.00 58.22 ? 197 TYR   A CZ  1 
ATOM   1606 O OH  . TYR   A 1 197 ? 9.234   -8.117  -36.550 1.00 72.82 ? 197 TYR   A OH  1 
ATOM   1607 N N   . GLY   A 1 198 ? 14.423  -6.362  -29.840 1.00 29.16 ? 198 GLY   A N   1 
ATOM   1608 C CA  . GLY   A 1 198 ? 15.148  -6.684  -28.635 1.00 29.53 ? 198 GLY   A CA  1 
ATOM   1609 C C   . GLY   A 1 198 ? 15.284  -8.184  -28.463 1.00 29.85 ? 198 GLY   A C   1 
ATOM   1610 O O   . GLY   A 1 198 ? 14.542  -8.976  -29.037 1.00 29.98 ? 198 GLY   A O   1 
ATOM   1611 N N   . VAL   A 1 199 ? 16.274  -8.576  -27.665 1.00 25.53 ? 199 VAL   A N   1 
ATOM   1612 C CA  . VAL   A 1 199 ? 16.407  -9.974  -27.303 1.00 29.40 ? 199 VAL   A CA  1 
ATOM   1613 C C   . VAL   A 1 199 ? 15.146  -10.411 -26.571 1.00 28.51 ? 199 VAL   A C   1 
ATOM   1614 O O   . VAL   A 1 199 ? 14.647  -9.704  -25.682 1.00 28.68 ? 199 VAL   A O   1 
ATOM   1615 C CB  . VAL   A 1 199 ? 17.674  -10.177 -26.460 1.00 28.66 ? 199 VAL   A CB  1 
ATOM   1616 C CG1 . VAL   A 1 199 ? 17.754  -11.612 -25.976 1.00 30.31 ? 199 VAL   A CG1 1 
ATOM   1617 C CG2 . VAL   A 1 199 ? 18.906  -9.820  -27.282 1.00 29.20 ? 199 VAL   A CG2 1 
ATOM   1618 N N   . CYS   A 1 200 ? 14.602  -11.569 -26.970 1.00 26.85 ? 200 CYS   A N   1 
ATOM   1619 C CA  . CYS   A 1 200 ? 13.341  -12.086 -26.419 1.00 29.61 ? 200 CYS   A CA  1 
ATOM   1620 C C   . CYS   A 1 200 ? 12.208  -11.070 -26.518 1.00 28.29 ? 200 CYS   A C   1 
ATOM   1621 O O   . CYS   A 1 200 ? 11.280  -11.070 -25.699 1.00 28.71 ? 200 CYS   A O   1 
ATOM   1622 C CB  . CYS   A 1 200 ? 13.503  -12.543 -24.968 1.00 32.45 ? 200 CYS   A CB  1 
ATOM   1623 S SG  . CYS   A 1 200 ? 14.959  -13.550 -24.651 1.00 28.34 ? 200 CYS   A SG  1 
ATOM   1624 N N   . GLY   A 1 201 ? 12.269  -10.191 -27.518 1.00 26.39 ? 201 GLY   A N   1 
ATOM   1625 C CA  . GLY   A 1 201 ? 11.172  -9.265  -27.740 1.00 26.76 ? 201 GLY   A CA  1 
ATOM   1626 C C   . GLY   A 1 201 ? 11.095  -8.154  -26.725 1.00 30.24 ? 201 GLY   A C   1 
ATOM   1627 O O   . GLY   A 1 201 ? 10.042  -7.521  -26.583 1.00 27.83 ? 201 GLY   A O   1 
ATOM   1628 N N   . LEU   A 1 202 ? 12.210  -7.879  -26.043 1.00 27.41 ? 202 LEU   A N   1 
ATOM   1629 C CA  . LEU   A 1 202 ? 12.250  -6.955  -24.911 1.00 27.88 ? 202 LEU   A CA  1 
ATOM   1630 C C   . LEU   A 1 202 ? 11.779  -5.545  -25.247 1.00 25.70 ? 202 LEU   A C   1 
ATOM   1631 O O   . LEU   A 1 202 ? 11.417  -4.797  -24.334 1.00 25.52 ? 202 LEU   A O   1 
ATOM   1632 C CB  . LEU   A 1 202 ? 13.679  -6.893  -24.364 1.00 27.56 ? 202 LEU   A CB  1 
ATOM   1633 C CG  . LEU   A 1 202 ? 13.952  -6.157  -23.052 1.00 28.87 ? 202 LEU   A CG  1 
ATOM   1634 C CD1 . LEU   A 1 202 ? 13.167  -6.767  -21.897 1.00 29.33 ? 202 LEU   A CD1 1 
ATOM   1635 C CD2 . LEU   A 1 202 ? 15.460  -6.174  -22.756 1.00 31.37 ? 202 LEU   A CD2 1 
ATOM   1636 N N   . TYR   A 1 203 ? 11.798  -5.137  -26.517 1.00 24.28 ? 203 TYR   A N   1 
ATOM   1637 C CA  . TYR   A 1 203 ? 11.408  -3.772  -26.853 1.00 26.20 ? 203 TYR   A CA  1 
ATOM   1638 C C   . TYR   A 1 203 ? 9.977   -3.685  -27.344 1.00 28.74 ? 203 TYR   A C   1 
ATOM   1639 O O   . TYR   A 1 203 ? 9.586   -2.660  -27.914 1.00 28.60 ? 203 TYR   A O   1 
ATOM   1640 C CB  . TYR   A 1 203 ? 12.362  -3.170  -27.889 1.00 28.86 ? 203 TYR   A CB  1 
ATOM   1641 C CG  . TYR   A 1 203 ? 13.810  -3.312  -27.489 1.00 29.78 ? 203 TYR   A CG  1 
ATOM   1642 C CD1 . TYR   A 1 203 ? 14.176  -3.388  -26.144 1.00 27.28 ? 203 TYR   A CD1 1 
ATOM   1643 C CD2 . TYR   A 1 203 ? 14.816  -3.360  -28.455 1.00 24.54 ? 203 TYR   A CD2 1 
ATOM   1644 C CE1 . TYR   A 1 203 ? 15.497  -3.526  -25.775 1.00 28.06 ? 203 TYR   A CE1 1 
ATOM   1645 C CE2 . TYR   A 1 203 ? 16.130  -3.498  -28.102 1.00 24.96 ? 203 TYR   A CE2 1 
ATOM   1646 C CZ  . TYR   A 1 203 ? 16.469  -3.580  -26.758 1.00 26.59 ? 203 TYR   A CZ  1 
ATOM   1647 O OH  . TYR   A 1 203 ? 17.791  -3.726  -26.407 1.00 25.64 ? 203 TYR   A OH  1 
ATOM   1648 N N   . THR   A 1 204 ? 9.181   -4.732  -27.120 1.00 27.17 ? 204 THR   A N   1 
ATOM   1649 C CA  . THR   A 1 204 ? 7.847   -4.784  -27.713 1.00 26.05 ? 204 THR   A CA  1 
ATOM   1650 C C   . THR   A 1 204 ? 6.887   -3.804  -27.049 1.00 30.80 ? 204 THR   A C   1 
ATOM   1651 O O   . THR   A 1 204 ? 6.171   -3.070  -27.733 1.00 27.73 ? 204 THR   A O   1 
ATOM   1652 C CB  . THR   A 1 204 ? 7.295   -6.198  -27.637 1.00 24.84 ? 204 THR   A CB  1 
ATOM   1653 O OG1 . THR   A 1 204 ? 8.153   -7.059  -28.382 1.00 28.29 ? 204 THR   A OG1 1 
ATOM   1654 C CG2 . THR   A 1 204 ? 5.896   -6.243  -28.236 1.00 27.70 ? 204 THR   A CG2 1 
ATOM   1655 N N   . SER   A 1 205 ? 6.843   -3.772  -25.718 1.00 28.74 ? 205 SER   A N   1 
ATOM   1656 C CA  . SER   A 1 205 ? 5.775   -3.016  -25.058 1.00 27.85 ? 205 SER   A CA  1 
ATOM   1657 C C   . SER   A 1 205 ? 6.266   -2.587  -23.677 1.00 29.28 ? 205 SER   A C   1 
ATOM   1658 O O   . SER   A 1 205 ? 6.241   -3.385  -22.738 1.00 26.95 ? 205 SER   A O   1 
ATOM   1659 C CB  . SER   A 1 205 ? 4.499   -3.851  -24.961 1.00 31.52 ? 205 SER   A CB  1 
ATOM   1660 O OG  . SER   A 1 205 ? 3.418   -3.052  -24.483 1.00 39.05 ? 205 SER   A OG  1 
ATOM   1661 N N   . SER   A 1 206 ? 6.654   -1.323  -23.551 1.00 26.06 ? 206 SER   A N   1 
ATOM   1662 C CA  . SER   A 1 206 ? 7.251   -0.818  -22.326 1.00 25.90 ? 206 SER   A CA  1 
ATOM   1663 C C   . SER   A 1 206 ? 6.524   0.430   -21.859 1.00 33.37 ? 206 SER   A C   1 
ATOM   1664 O O   . SER   A 1 206 ? 6.237   1.330   -22.652 1.00 29.60 ? 206 SER   A O   1 
ATOM   1665 C CB  . SER   A 1 206 ? 8.733   -0.521  -22.532 1.00 26.59 ? 206 SER   A CB  1 
ATOM   1666 O OG  . SER   A 1 206 ? 9.357   -1.673  -23.081 1.00 28.68 ? 206 SER   A OG  1 
ATOM   1667 N N   . PHE   A 1 207 ? 6.259   0.484   -20.562 1.00 24.52 ? 207 PHE   A N   1 
ATOM   1668 C CA  . PHE   A 1 207 ? 5.462   1.536   -19.953 1.00 29.29 ? 207 PHE   A CA  1 
ATOM   1669 C C   . PHE   A 1 207 ? 6.099   1.943   -18.642 1.00 29.39 ? 207 PHE   A C   1 
ATOM   1670 O O   . PHE   A 1 207 ? 6.754   1.142   -17.978 1.00 24.01 ? 207 PHE   A O   1 
ATOM   1671 C CB  . PHE   A 1 207 ? 4.039   1.065   -19.674 1.00 28.74 ? 207 PHE   A CB  1 
ATOM   1672 C CG  . PHE   A 1 207 ? 3.229   0.845   -20.904 1.00 28.70 ? 207 PHE   A CG  1 
ATOM   1673 C CD1 . PHE   A 1 207 ? 3.260   -0.380  -21.560 1.00 28.60 ? 207 PHE   A CD1 1 
ATOM   1674 C CD2 . PHE   A 1 207 ? 2.422   1.852   -21.402 1.00 29.86 ? 207 PHE   A CD2 1 
ATOM   1675 C CE1 . PHE   A 1 207 ? 2.514   -0.593  -22.695 1.00 32.73 ? 207 PHE   A CE1 1 
ATOM   1676 C CE2 . PHE   A 1 207 ? 1.669   1.646   -22.536 1.00 34.59 ? 207 PHE   A CE2 1 
ATOM   1677 C CZ  . PHE   A 1 207 ? 1.714   0.421   -23.183 1.00 35.11 ? 207 PHE   A CZ  1 
ATOM   1678 N N   . TYR   A 1 208 ? 5.868   3.183   -18.249 1.00 28.17 ? 208 TYR   A N   1 
ATOM   1679 C CA  . TYR   A 1 208 ? 6.316   3.609   -16.940 1.00 23.44 ? 208 TYR   A CA  1 
ATOM   1680 C C   . TYR   A 1 208 ? 5.282   4.568   -16.379 1.00 28.65 ? 208 TYR   A C   1 
ATOM   1681 O O   . TYR   A 1 208 ? 4.534   5.193   -17.138 1.00 27.69 ? 208 TYR   A O   1 
ATOM   1682 C CB  . TYR   A 1 208 ? 7.696   4.276   -17.001 1.00 26.68 ? 208 TYR   A CB  1 
ATOM   1683 C CG  . TYR   A 1 208 ? 7.782   5.389   -18.022 1.00 32.81 ? 208 TYR   A CG  1 
ATOM   1684 C CD1 . TYR   A 1 208 ? 8.108   5.118   -19.348 1.00 34.16 ? 208 TYR   A CD1 1 
ATOM   1685 C CD2 . TYR   A 1 208 ? 7.541   6.714   -17.657 1.00 32.85 ? 208 TYR   A CD2 1 
ATOM   1686 C CE1 . TYR   A 1 208 ? 8.190   6.143   -20.293 1.00 34.83 ? 208 TYR   A CE1 1 
ATOM   1687 C CE2 . TYR   A 1 208 ? 7.625   7.741   -18.591 1.00 38.67 ? 208 TYR   A CE2 1 
ATOM   1688 C CZ  . TYR   A 1 208 ? 7.950   7.450   -19.903 1.00 41.56 ? 208 TYR   A CZ  1 
ATOM   1689 O OH  . TYR   A 1 208 ? 8.028   8.465   -20.842 1.00 40.41 ? 208 TYR   A OH  1 
ATOM   1690 N N   . PRO   A 1 209 ? 5.174   4.651   -15.064 1.00 28.83 ? 209 PRO   A N   1 
ATOM   1691 C CA  . PRO   A 1 209 ? 4.244   5.599   -14.457 1.00 29.06 ? 209 PRO   A CA  1 
ATOM   1692 C C   . PRO   A 1 209 ? 4.853   6.986   -14.404 1.00 31.93 ? 209 PRO   A C   1 
ATOM   1693 O O   . PRO   A 1 209 ? 6.066   7.168   -14.261 1.00 32.50 ? 209 PRO   A O   1 
ATOM   1694 C CB  . PRO   A 1 209 ? 4.040   5.037   -13.043 1.00 27.16 ? 209 PRO   A CB  1 
ATOM   1695 C CG  . PRO   A 1 209 ? 5.360   4.355   -12.739 1.00 27.73 ? 209 PRO   A CG  1 
ATOM   1696 C CD  . PRO   A 1 209 ? 5.929   3.884   -14.060 1.00 28.92 ? 209 PRO   A CD  1 
ATOM   1697 N N   . VAL   A 1 210 ? 3.985   7.970   -14.532 1.00 31.40 ? 210 VAL   A N   1 
ATOM   1698 C CA  . VAL   A 1 210 ? 4.355   9.358   -14.353 1.00 38.23 ? 210 VAL   A CA  1 
ATOM   1699 C C   . VAL   A 1 210 ? 3.882   9.782   -12.976 1.00 33.98 ? 210 VAL   A C   1 
ATOM   1700 O O   . VAL   A 1 210 ? 2.736   9.514   -12.592 1.00 36.41 ? 210 VAL   A O   1 
ATOM   1701 C CB  . VAL   A 1 210 ? 3.745   10.234  -15.457 1.00 41.38 ? 210 VAL   A CB  1 
ATOM   1702 C CG1 . VAL   A 1 210 ? 4.045   11.706  -15.210 1.00 39.98 ? 210 VAL   A CG1 1 
ATOM   1703 C CG2 . VAL   A 1 210 ? 4.307   9.801   -16.794 1.00 43.50 ? 210 VAL   A CG2 1 
ATOM   1704 N N   . LYS   A 1 211 ? 4.772   10.409  -12.222 1.00 35.30 ? 211 LYS   A N   1 
ATOM   1705 C CA  . LYS   A 1 211 ? 4.429   11.033  -10.956 1.00 41.19 ? 211 LYS   A CA  1 
ATOM   1706 C C   . LYS   A 1 211 ? 5.090   12.396  -10.945 1.00 49.84 ? 211 LYS   A C   1 
ATOM   1707 O O   . LYS   A 1 211 ? 6.316   12.493  -11.056 1.00 49.15 ? 211 LYS   A O   1 
ATOM   1708 C CB  . LYS   A 1 211 ? 4.882   10.197  -9.760  1.00 39.46 ? 211 LYS   A CB  1 
ATOM   1709 C CG  . LYS   A 1 211 ? 4.766   10.950  -8.425  1.00 48.14 ? 211 LYS   A CG  1 
ATOM   1710 C CD  . LYS   A 1 211 ? 3.949   10.197  -7.397  1.00 48.92 ? 211 LYS   A CD  1 
ATOM   1711 C CE  . LYS   A 1 211 ? 3.471   11.123  -6.278  1.00 46.36 ? 211 LYS   A CE  1 
ATOM   1712 N NZ  . LYS   A 1 211 ? 2.123   11.685  -6.572  1.00 52.68 ? 211 LYS   A NZ  1 
ATOM   1713 N N   . ASN   A 1 212 ? 4.283   13.440  -10.837 1.00 52.55 ? 212 ASN   A N   1 
ATOM   1714 C CA  . ASN   A 1 212 ? 4.799   14.798  -10.853 1.00 63.83 ? 212 ASN   A CA  1 
ATOM   1715 C C   . ASN   A 1 212 ? 5.330   15.153  -9.479  1.00 68.80 ? 212 ASN   A C   1 
ATOM   1716 O O   . ASN   A 1 212 ? 6.191   16.023  -9.347  1.00 78.50 ? 212 ASN   A O   1 
ATOM   1717 C CB  . ASN   A 1 212 ? 3.708   15.764  -11.286 1.00 58.94 ? 212 ASN   A CB  1 
ATOM   1718 C CG  . ASN   A 1 212 ? 3.371   15.618  -12.750 1.00 61.45 ? 212 ASN   A CG  1 
ATOM   1719 O OD1 . ASN   A 1 212 ? 4.228   15.260  -13.562 1.00 58.93 ? 212 ASN   A OD1 1 
ATOM   1720 N ND2 . ASN   A 1 212 ? 2.103   15.832  -13.090 1.00 69.81 ? 212 ASN   A ND2 1 
ATOM   1721 O OXT . ASN   A 1 212 ? 4.912   14.553  -8.485  1.00 66.53 ? 212 ASN   A OXT 1 
HETATM 1722 N N1  . A1AXI B 2 .   ? 1.001   -11.955 -19.642 0.68 34.88 ? 301 A1AXI A N1  1 
HETATM 1723 N N3  . A1AXI B 2 .   ? -11.323 -15.342 -23.102 0.68 63.11 ? 301 A1AXI A N3  1 
HETATM 1724 C C4  . A1AXI B 2 .   ? 0.684   -11.993 -18.335 0.68 32.36 ? 301 A1AXI A C4  1 
HETATM 1725 C C5  . A1AXI B 2 .   ? 0.385   -10.909 -20.454 0.68 40.65 ? 301 A1AXI A C5  1 
HETATM 1726 C C6  . A1AXI B 2 .   ? 1.208   -10.004 -21.359 0.68 39.85 ? 301 A1AXI A C6  1 
HETATM 1727 C C7  . A1AXI B 2 .   ? 1.967   -8.871  -20.656 0.68 36.66 ? 301 A1AXI A C7  1 
HETATM 1728 C C8  . A1AXI B 2 .   ? 3.146   -9.840  -20.561 0.68 33.97 ? 301 A1AXI A C8  1 
HETATM 1729 C C10 . A1AXI B 2 .   ? -0.797  -11.462 -21.245 0.68 39.98 ? 301 A1AXI A C10 1 
HETATM 1730 C C13 . A1AXI B 2 .   ? -5.158  -12.482 -21.914 0.68 50.23 ? 301 A1AXI A C13 1 
HETATM 1731 C C15 . A1AXI B 2 .   ? -7.416  -13.644 -21.759 0.68 57.65 ? 301 A1AXI A C15 1 
HETATM 1732 C C17 . A1AXI B 2 .   ? -9.893  -14.172 -21.397 0.68 59.53 ? 301 A1AXI A C17 1 
HETATM 1733 C C1  . A1AXI B 2 .   ? 3.076   -13.961 -16.048 0.68 30.35 ? 301 A1AXI A C1  1 
HETATM 1734 C C11 . A1AXI B 2 .   ? -3.104  -11.004 -21.988 0.68 43.52 ? 301 A1AXI A C11 1 
HETATM 1735 C C12 . A1AXI B 2 .   ? -3.889  -12.039 -21.193 0.68 40.57 ? 301 A1AXI A C12 1 
HETATM 1736 C C14 . A1AXI B 2 .   ? -6.052  -13.424 -21.116 0.68 51.26 ? 301 A1AXI A C14 1 
HETATM 1737 C C16 . A1AXI B 2 .   ? -8.500  -14.080 -20.781 0.68 57.00 ? 301 A1AXI A C16 1 
HETATM 1738 C C18 . A1AXI B 2 .   ? -9.992  -15.203 -22.501 0.68 67.74 ? 301 A1AXI A C18 1 
HETATM 1739 C C2  . A1AXI B 2 .   ? 2.640   -13.089 -17.194 0.68 34.06 ? 301 A1AXI A C2  1 
HETATM 1740 C C3  . A1AXI B 2 .   ? 1.154   -13.197 -17.513 0.68 29.07 ? 301 A1AXI A C3  1 
HETATM 1741 C C9  . A1AXI B 2 .   ? 2.576   -10.507 -21.820 0.68 44.71 ? 301 A1AXI A C9  1 
HETATM 1742 N N2  . A1AXI B 2 .   ? -1.851  -10.644 -21.342 0.68 34.24 ? 301 A1AXI A N2  1 
HETATM 1743 O O1  . A1AXI B 2 .   ? 2.379   -13.945 -15.014 0.68 30.37 ? 301 A1AXI A O1  1 
HETATM 1744 O O2  . A1AXI B 2 .   ? 4.109   -14.658 -16.177 0.68 34.50 ? 301 A1AXI A O2  1 
HETATM 1745 O O3  . A1AXI B 2 .   ? 0.969   -14.407 -18.227 0.68 31.06 ? 301 A1AXI A O3  1 
HETATM 1746 O O4  . A1AXI B 2 .   ? 0.032   -11.112 -17.793 0.68 32.06 ? 301 A1AXI A O4  1 
HETATM 1747 O O5  . A1AXI B 2 .   ? -0.734  -12.575 -21.780 0.68 35.97 ? 301 A1AXI A O5  1 
HETATM 1748 O O   . HOH   C 3 .   ? 15.877  -6.319  -5.051  1.00 36.55 ? 401 HOH   A O   1 
HETATM 1749 O O   . HOH   C 3 .   ? 6.901   0.320   -25.920 1.00 31.76 ? 402 HOH   A O   1 
HETATM 1750 O O   . HOH   C 3 .   ? 17.670  -20.277 -12.304 1.00 45.05 ? 403 HOH   A O   1 
HETATM 1751 O O   . HOH   C 3 .   ? -8.169  -5.746  5.187   1.00 29.92 ? 404 HOH   A O   1 
HETATM 1752 O O   . HOH   C 3 .   ? 0.700   5.113   -13.152 1.00 28.34 ? 405 HOH   A O   1 
HETATM 1753 O O   . HOH   C 3 .   ? 14.529  -21.283 -25.417 1.00 35.81 ? 406 HOH   A O   1 
HETATM 1754 O O   . HOH   C 3 .   ? -4.735  -9.478  0.499   1.00 24.35 ? 407 HOH   A O   1 
HETATM 1755 O O   . HOH   C 3 .   ? -11.652 -9.119  -8.814  1.00 41.95 ? 408 HOH   A O   1 
HETATM 1756 O O   . HOH   C 3 .   ? 8.931   -4.384  -23.613 1.00 28.57 ? 409 HOH   A O   1 
HETATM 1757 O O   . HOH   C 3 .   ? 6.397   -5.440  -3.884  1.00 28.10 ? 410 HOH   A O   1 
HETATM 1758 O O   . HOH   C 3 .   ? 19.715  -20.558 -19.610 1.00 42.25 ? 411 HOH   A O   1 
HETATM 1759 O O   . HOH   C 3 .   ? 15.687  3.308   0.058   1.00 46.61 ? 412 HOH   A O   1 
HETATM 1760 O O   . HOH   C 3 .   ? 9.246   3.958   -12.470 1.00 30.18 ? 413 HOH   A O   1 
HETATM 1761 O O   . HOH   C 3 .   ? 20.218  -18.825 -9.691  1.00 44.05 ? 414 HOH   A O   1 
HETATM 1762 O O   . HOH   C 3 .   ? 24.814  -2.913  -11.567 1.00 45.26 ? 415 HOH   A O   1 
HETATM 1763 O O   . HOH   C 3 .   ? 24.753  11.698  -20.280 1.00 43.52 ? 416 HOH   A O   1 
HETATM 1764 O O   . HOH   C 3 .   ? 6.422   -6.420  -7.531  1.00 24.52 ? 417 HOH   A O   1 
HETATM 1765 O O   . HOH   C 3 .   ? 10.282  -9.332  -7.969  1.00 26.55 ? 418 HOH   A O   1 
HETATM 1766 O O   . HOH   C 3 .   ? 7.471   -9.547  -13.176 1.00 24.75 ? 419 HOH   A O   1 
HETATM 1767 O O   A HOH   C 3 .   ? -9.155  -8.633  3.201   0.55 14.99 ? 420 HOH   A O   1 
HETATM 1768 O O   B HOH   C 3 .   ? -10.111 -10.348 2.908   0.45 20.95 ? 420 HOH   A O   1 
HETATM 1769 O O   . HOH   C 3 .   ? 20.944  -21.193 -22.616 1.00 49.19 ? 421 HOH   A O   1 
HETATM 1770 O O   . HOH   C 3 .   ? 5.463   -16.608 -14.896 1.00 32.23 ? 422 HOH   A O   1 
HETATM 1771 O O   . HOH   C 3 .   ? 17.622  -10.469 -4.490  1.00 34.78 ? 423 HOH   A O   1 
HETATM 1772 O O   . HOH   C 3 .   ? 22.311  -19.326 -16.980 1.00 41.71 ? 424 HOH   A O   1 
HETATM 1773 O O   . HOH   C 3 .   ? 8.657   -5.482  -6.246  1.00 25.23 ? 425 HOH   A O   1 
HETATM 1774 O O   . HOH   C 3 .   ? 11.648  0.453   -27.089 1.00 30.88 ? 426 HOH   A O   1 
HETATM 1775 O O   . HOH   C 3 .   ? 9.876   -0.944  -25.823 1.00 31.46 ? 427 HOH   A O   1 
HETATM 1776 O O   . HOH   C 3 .   ? 11.521  -0.538  -8.121  1.00 23.65 ? 428 HOH   A O   1 
HETATM 1777 O O   . HOH   C 3 .   ? 10.924  -2.686  -6.601  1.00 22.15 ? 429 HOH   A O   1 
HETATM 1778 O O   . HOH   C 3 .   ? 19.270  -5.867  -28.973 1.00 36.96 ? 430 HOH   A O   1 
HETATM 1779 O O   . HOH   C 3 .   ? 25.863  1.662   -21.543 1.00 26.52 ? 431 HOH   A O   1 
HETATM 1780 O O   . HOH   C 3 .   ? 9.662   -7.927  1.162   1.00 36.31 ? 432 HOH   A O   1 
HETATM 1781 O O   . HOH   C 3 .   ? 17.958  -6.545  -26.387 1.00 26.08 ? 433 HOH   A O   1 
HETATM 1782 O O   . HOH   C 3 .   ? 22.189  -8.870  -11.622 1.00 41.25 ? 434 HOH   A O   1 
HETATM 1783 O O   . HOH   C 3 .   ? 3.318   5.833   0.197   1.00 44.98 ? 435 HOH   A O   1 
HETATM 1784 O O   . HOH   C 3 .   ? 14.317  -18.810 -23.732 1.00 28.64 ? 436 HOH   A O   1 
HETATM 1785 O O   . HOH   C 3 .   ? 23.597  -2.199  -14.084 1.00 34.20 ? 437 HOH   A O   1 
HETATM 1786 O O   . HOH   C 3 .   ? -8.052  0.392   -6.475  1.00 45.70 ? 438 HOH   A O   1 
HETATM 1787 O O   . HOH   C 3 .   ? -11.736 -3.522  6.792   1.00 46.99 ? 439 HOH   A O   1 
HETATM 1788 O O   . HOH   C 3 .   ? 5.388   -17.141 -25.602 1.00 34.81 ? 440 HOH   A O   1 
HETATM 1789 O O   . HOH   C 3 .   ? 28.152  2.327   -22.753 1.00 42.93 ? 441 HOH   A O   1 
HETATM 1790 O O   . HOH   C 3 .   ? 26.819  -5.939  -14.458 1.00 45.13 ? 442 HOH   A O   1 
HETATM 1791 O O   . HOH   C 3 .   ? 27.715  -13.574 -19.482 1.00 40.66 ? 443 HOH   A O   1 
HETATM 1792 O O   . HOH   C 3 .   ? 4.945   -3.272  -20.252 1.00 31.59 ? 444 HOH   A O   1 
HETATM 1793 O O   . HOH   C 3 .   ? -7.753  -15.075 -11.984 1.00 32.18 ? 445 HOH   A O   1 
HETATM 1794 O O   . HOH   C 3 .   ? 21.550  -9.457  -9.184  1.00 34.18 ? 446 HOH   A O   1 
HETATM 1795 O O   . HOH   C 3 .   ? 6.419   -0.807  2.578   1.00 35.56 ? 447 HOH   A O   1 
HETATM 1796 O O   . HOH   C 3 .   ? -4.950  8.734   0.363   1.00 50.68 ? 448 HOH   A O   1 
HETATM 1797 O O   . HOH   C 3 .   ? 12.929  -13.657 -9.946  1.00 22.77 ? 449 HOH   A O   1 
HETATM 1798 O O   A HOH   C 3 .   ? 15.193  -12.692 -29.526 0.73 29.92 ? 450 HOH   A O   1 
HETATM 1799 O O   B HOH   C 3 .   ? 14.066  -11.233 -30.667 0.27 32.46 ? 450 HOH   A O   1 
HETATM 1800 O O   . HOH   C 3 .   ? -7.277  -8.418  -12.984 1.00 30.14 ? 451 HOH   A O   1 
HETATM 1801 O O   . HOH   C 3 .   ? 17.138  -0.772  -3.681  1.00 34.51 ? 452 HOH   A O   1 
HETATM 1802 O O   . HOH   C 3 .   ? 22.240  3.939   -10.928 1.00 41.38 ? 453 HOH   A O   1 
HETATM 1803 O O   . HOH   C 3 .   ? -10.331 -9.189  -13.698 1.00 40.37 ? 454 HOH   A O   1 
HETATM 1804 O O   . HOH   C 3 .   ? 8.450   3.574   -2.782  1.00 32.44 ? 455 HOH   A O   1 
HETATM 1805 O O   . HOH   C 3 .   ? 16.655  -0.616  -31.387 1.00 40.87 ? 456 HOH   A O   1 
HETATM 1806 O O   . HOH   C 3 .   ? -2.039  1.043   2.520   1.00 30.56 ? 457 HOH   A O   1 
HETATM 1807 O O   . HOH   C 3 .   ? 23.415  -3.466  -7.209  1.00 45.43 ? 458 HOH   A O   1 
HETATM 1808 O O   A HOH   C 3 .   ? -14.120 -6.945  -7.404  1.00 43.52 ? 459 HOH   A O   1 
HETATM 1809 O O   . HOH   C 3 .   ? 22.142  -16.901 -23.069 1.00 34.46 ? 460 HOH   A O   1 
HETATM 1810 O O   . HOH   C 3 .   ? -1.394  -7.542  7.242   1.00 38.67 ? 461 HOH   A O   1 
HETATM 1811 O O   . HOH   C 3 .   ? 2.818   -4.188  -21.899 1.00 35.59 ? 462 HOH   A O   1 
HETATM 1812 O O   . HOH   C 3 .   ? 6.479   -7.952  1.408   1.00 38.30 ? 463 HOH   A O   1 
HETATM 1813 O O   . HOH   C 3 .   ? 19.681  -3.322  -30.581 1.00 45.27 ? 464 HOH   A O   1 
HETATM 1814 O O   . HOH   C 3 .   ? 15.676  -9.442  -3.005  1.00 29.53 ? 465 HOH   A O   1 
HETATM 1815 O O   . HOH   C 3 .   ? 7.367   -18.644 -9.813  1.00 44.22 ? 466 HOH   A O   1 
HETATM 1816 O O   . HOH   C 3 .   ? 2.399   -9.876  0.658   1.00 27.13 ? 467 HOH   A O   1 
HETATM 1817 O O   . HOH   C 3 .   ? -2.645  3.529   3.339   1.00 45.12 ? 468 HOH   A O   1 
HETATM 1818 O O   . HOH   C 3 .   ? 9.887   6.915   -25.912 1.00 34.48 ? 469 HOH   A O   1 
HETATM 1819 O O   . HOH   C 3 .   ? -4.860  -16.174 1.058   1.00 40.73 ? 470 HOH   A O   1 
HETATM 1820 O O   . HOH   C 3 .   ? 12.560  -24.024 -25.092 1.00 39.56 ? 471 HOH   A O   1 
HETATM 1821 O O   . HOH   C 3 .   ? 19.112  -10.415 -31.177 1.00 39.48 ? 472 HOH   A O   1 
HETATM 1822 O O   . HOH   C 3 .   ? -7.315  -16.571 -9.413  1.00 31.04 ? 473 HOH   A O   1 
HETATM 1823 O O   . HOH   C 3 .   ? 8.925   -7.658  -11.926 1.00 25.80 ? 474 HOH   A O   1 
HETATM 1824 O O   . HOH   C 3 .   ? 21.318  12.517  -20.435 1.00 46.94 ? 475 HOH   A O   1 
HETATM 1825 O O   . HOH   C 3 .   ? -12.757 -14.245 -1.867  1.00 36.46 ? 476 HOH   A O   1 
HETATM 1826 O O   . HOH   C 3 .   ? 7.385   11.041  -13.529 1.00 40.48 ? 477 HOH   A O   1 
HETATM 1827 O O   . HOH   C 3 .   ? 0.283   -7.728  -2.801  1.00 25.58 ? 478 HOH   A O   1 
HETATM 1828 O O   . HOH   C 3 .   ? 28.919  7.046   -17.673 1.00 41.36 ? 479 HOH   A O   1 
HETATM 1829 O O   A HOH   C 3 .   ? -13.558 -11.384 2.427   0.63 21.37 ? 480 HOH   A O   1 
HETATM 1830 O O   B HOH   C 3 .   ? -12.839 -9.978  2.388   0.37 24.11 ? 480 HOH   A O   1 
HETATM 1831 O O   . HOH   C 3 .   ? -7.344  7.680   -0.741  1.00 46.76 ? 481 HOH   A O   1 
HETATM 1832 O O   . HOH   C 3 .   ? -4.479  -17.668 -1.032  1.00 46.67 ? 482 HOH   A O   1 
HETATM 1833 O O   . HOH   C 3 .   ? 5.223   -4.613  3.051   1.00 47.55 ? 483 HOH   A O   1 
HETATM 1834 O O   . HOH   C 3 .   ? 9.687   -15.596 -32.468 1.00 45.99 ? 484 HOH   A O   1 
HETATM 1835 O O   . HOH   C 3 .   ? 4.108   -2.534  2.595   1.00 33.33 ? 485 HOH   A O   1 
HETATM 1836 O O   . HOH   C 3 .   ? 5.035   -16.390 -18.596 1.00 45.90 ? 486 HOH   A O   1 
HETATM 1837 O O   . HOH   C 3 .   ? 1.338   9.508   -3.416  1.00 43.28 ? 487 HOH   A O   1 
HETATM 1838 O O   . HOH   C 3 .   ? 1.586   6.991   -24.008 1.00 52.59 ? 488 HOH   A O   1 
HETATM 1839 O O   . HOH   C 3 .   ? 23.975  -19.579 -10.172 1.00 57.37 ? 489 HOH   A O   1 
HETATM 1840 O O   . HOH   C 3 .   ? 28.193  5.025   -15.302 1.00 41.08 ? 490 HOH   A O   1 
HETATM 1841 O O   . HOH   C 3 .   ? 0.809   -16.084 -1.728  1.00 47.63 ? 491 HOH   A O   1 
HETATM 1842 O O   . HOH   C 3 .   ? 8.414   -7.916  -9.087  1.00 25.32 ? 492 HOH   A O   1 
# 
