data_9NAR
# 
_entry.id   9NAR 
# 
_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   9NAR         pdb_00009nar 10.2210/pdb9nar/pdb 
WWPDB D_1000292925 ?            ?                   
# 
_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                        9NAR 
_pdbx_database_status.recvd_initial_deposition_date   2025-02-12 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB 'Same protein complexed with a different ligand' 9N9D unspecified 
PDB 'Same protein co-crystallized with E-64'         9NAE unspecified 
PDB 'Same protein in apo-form'                       9NAG unspecified 
PDB 'Same protein complexed with a different ligand' 9NAO unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              jrodriguez@mbi.ucla.edu 
_pdbx_contact_author.name_first         Jose 
_pdbx_contact_author.name_last          Rodriguez 
_pdbx_contact_author.name_mi            A 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-0248-4964 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Vlahakis, N.W.'  1 ? 
'Rodriguez, J.A.' 2 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Biorxiv 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2692-8205 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1101/2025.02.20.638743 
_citation.pdbx_database_id_PubMed   40060639 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Vlahakis, N.W.'  1  0000-0002-5092-0265 
primary 'Flowers, C.W.'   2  ?                   
primary 'Liu, M.'         3  ?                   
primary 'Agdanowski, M.'  4  ?                   
primary 'Johnson, S.'     5  ?                   
primary 'Summers, J.A.'   6  ?                   
primary 'Keyser, C.'      7  ?                   
primary 'Russell, P.'     8  ?                   
primary 'Rose, S.'        9  ?                   
primary 'Orlans, J.'      10 ?                   
primary 'Adhami, N.'      11 ?                   
primary 'Chen, Y.'        12 ?                   
primary 'Sawaya, M.R.'    13 ?                   
primary 'Basu, S.'        14 ?                   
primary 'de Sanctis, D.'  15 ?                   
primary 'Wakatsuki, S.'   16 ?                   
primary 'Nelson, H.M.'    17 ?                   
primary 'Loo, J.A.'       18 ?                   
primary 'Tang, Y.'        19 ?                   
primary 'Rodriguez, J.A.' 20 0000-0002-0248-4964 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     nat Papain                                                              23452.301 1  3.4.22.2 ? ? ? 
2 non-polymer syn 'N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE' 360.429   1  ?        ? ? ? 
3 water       nat water                                                               18.015    30 ?        ? ? ? 
# 
_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 'N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE' E64 
3 water                                                               HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ILE n 
1 2   PRO n 
1 3   GLU n 
1 4   TYR n 
1 5   VAL n 
1 6   ASP n 
1 7   TRP n 
1 8   ARG n 
1 9   GLN n 
1 10  LYS n 
1 11  GLY n 
1 12  ALA n 
1 13  VAL n 
1 14  THR n 
1 15  PRO n 
1 16  VAL n 
1 17  LYS n 
1 18  ASN n 
1 19  GLN n 
1 20  GLY n 
1 21  SER n 
1 22  CYS n 
1 23  GLY n 
1 24  SER n 
1 25  CYS n 
1 26  TRP n 
1 27  ALA n 
1 28  PHE n 
1 29  SER n 
1 30  ALA n 
1 31  VAL n 
1 32  VAL n 
1 33  THR n 
1 34  ILE n 
1 35  GLU n 
1 36  GLY n 
1 37  ILE n 
1 38  ILE n 
1 39  LYS n 
1 40  ILE n 
1 41  ARG n 
1 42  THR n 
1 43  GLY n 
1 44  ASN n 
1 45  LEU n 
1 46  ASN n 
1 47  GLU n 
1 48  TYR n 
1 49  SER n 
1 50  GLU n 
1 51  GLN n 
1 52  GLU n 
1 53  LEU n 
1 54  LEU n 
1 55  ASP n 
1 56  CYS n 
1 57  ASP n 
1 58  ARG n 
1 59  ARG n 
1 60  SER n 
1 61  TYR n 
1 62  GLY n 
1 63  CYS n 
1 64  ASN n 
1 65  GLY n 
1 66  GLY n 
1 67  TYR n 
1 68  PRO n 
1 69  TRP n 
1 70  SER n 
1 71  ALA n 
1 72  LEU n 
1 73  GLN n 
1 74  LEU n 
1 75  VAL n 
1 76  ALA n 
1 77  GLN n 
1 78  TYR n 
1 79  GLY n 
1 80  ILE n 
1 81  HIS n 
1 82  TYR n 
1 83  ARG n 
1 84  ASN n 
1 85  THR n 
1 86  TYR n 
1 87  PRO n 
1 88  TYR n 
1 89  GLU n 
1 90  GLY n 
1 91  VAL n 
1 92  GLN n 
1 93  ARG n 
1 94  TYR n 
1 95  CYS n 
1 96  ARG n 
1 97  SER n 
1 98  ARG n 
1 99  GLU n 
1 100 LYS n 
1 101 GLY n 
1 102 PRO n 
1 103 TYR n 
1 104 ALA n 
1 105 ALA n 
1 106 LYS n 
1 107 THR n 
1 108 ASP n 
1 109 GLY n 
1 110 VAL n 
1 111 ARG n 
1 112 GLN n 
1 113 VAL n 
1 114 GLN n 
1 115 PRO n 
1 116 TYR n 
1 117 ASN n 
1 118 GLU n 
1 119 GLY n 
1 120 ALA n 
1 121 LEU n 
1 122 LEU n 
1 123 TYR n 
1 124 SER n 
1 125 ILE n 
1 126 ALA n 
1 127 ASN n 
1 128 GLN n 
1 129 PRO n 
1 130 VAL n 
1 131 SER n 
1 132 VAL n 
1 133 VAL n 
1 134 LEU n 
1 135 GLU n 
1 136 ALA n 
1 137 ALA n 
1 138 GLY n 
1 139 LYS n 
1 140 ASP n 
1 141 PHE n 
1 142 GLN n 
1 143 LEU n 
1 144 TYR n 
1 145 ARG n 
1 146 GLY n 
1 147 GLY n 
1 148 ILE n 
1 149 PHE n 
1 150 VAL n 
1 151 GLY n 
1 152 PRO n 
1 153 CYS n 
1 154 GLY n 
1 155 ASN n 
1 156 LYS n 
1 157 VAL n 
1 158 ASP n 
1 159 HIS n 
1 160 ALA n 
1 161 VAL n 
1 162 ALA n 
1 163 ALA n 
1 164 VAL n 
1 165 GLY n 
1 166 TYR n 
1 167 GLY n 
1 168 PRO n 
1 169 ASN n 
1 170 TYR n 
1 171 ILE n 
1 172 LEU n 
1 173 ILE n 
1 174 LYS n 
1 175 ASN n 
1 176 SER n 
1 177 TRP n 
1 178 GLY n 
1 179 THR n 
1 180 GLY n 
1 181 TRP n 
1 182 GLY n 
1 183 GLU n 
1 184 ASN n 
1 185 GLY n 
1 186 TYR n 
1 187 ILE n 
1 188 ARG n 
1 189 ILE n 
1 190 LYS n 
1 191 ARG n 
1 192 GLY n 
1 193 THR n 
1 194 GLY n 
1 195 ASN n 
1 196 SER n 
1 197 TYR n 
1 198 GLY n 
1 199 VAL n 
1 200 CYS n 
1 201 GLY n 
1 202 LEU n 
1 203 TYR n 
1 204 THR n 
1 205 SER n 
1 206 SER n 
1 207 PHE n 
1 208 TYR n 
1 209 PRO n 
1 210 VAL n 
1 211 LYS n 
1 212 ASN n 
# 
_entity_src_nat.entity_id                  1 
_entity_src_nat.pdbx_src_id                1 
_entity_src_nat.pdbx_alt_source_flag       sample 
_entity_src_nat.pdbx_beg_seq_num           1 
_entity_src_nat.pdbx_end_seq_num           212 
_entity_src_nat.common_name                papaya 
_entity_src_nat.pdbx_organism_scientific   'Carica papaya' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      3649 
_entity_src_nat.genus                      ? 
_entity_src_nat.species                    ? 
_entity_src_nat.strain                     ? 
_entity_src_nat.tissue                     ? 
_entity_src_nat.tissue_fraction            ? 
_entity_src_nat.pdbx_secretion             ? 
_entity_src_nat.pdbx_fragment              ? 
_entity_src_nat.pdbx_variant               ? 
_entity_src_nat.pdbx_cell_line             ? 
_entity_src_nat.pdbx_atcc                  ? 
_entity_src_nat.pdbx_cellular_location     ? 
_entity_src_nat.pdbx_organ                 ? 
_entity_src_nat.pdbx_organelle             ? 
_entity_src_nat.pdbx_cell                  ? 
_entity_src_nat.pdbx_plasmid_name          ? 
_entity_src_nat.pdbx_plasmid_details       ? 
_entity_src_nat.details                    ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                                             ? 'C3 H7 N O2'      89.093  
ARG 'L-peptide linking' y ARGININE                                                            ? 'C6 H15 N4 O2 1'  175.209 
ASN 'L-peptide linking' y ASPARAGINE                                                          ? 'C4 H8 N2 O3'     132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                                     ? 'C4 H7 N O4'      133.103 
CYS 'L-peptide linking' y CYSTEINE                                                            ? 'C3 H7 N O2 S'    121.158 
E64 non-polymer         . 'N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE' ? 'C15 H30 N5 O5 1' 360.429 
GLN 'L-peptide linking' y GLUTAMINE                                                           ? 'C5 H10 N2 O3'    146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                                     ? 'C5 H9 N O4'      147.129 
GLY 'peptide linking'   y GLYCINE                                                             ? 'C2 H5 N O2'      75.067  
HIS 'L-peptide linking' y HISTIDINE                                                           ? 'C6 H10 N3 O2 1'  156.162 
HOH non-polymer         . WATER                                                               ? 'H2 O'            18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                                          ? 'C6 H13 N O2'     131.173 
LEU 'L-peptide linking' y LEUCINE                                                             ? 'C6 H13 N O2'     131.173 
LYS 'L-peptide linking' y LYSINE                                                              ? 'C6 H15 N2 O2 1'  147.195 
PHE 'L-peptide linking' y PHENYLALANINE                                                       ? 'C9 H11 N O2'     165.189 
PRO 'L-peptide linking' y PROLINE                                                             ? 'C5 H9 N O2'      115.130 
SER 'L-peptide linking' y SERINE                                                              ? 'C3 H7 N O3'      105.093 
THR 'L-peptide linking' y THREONINE                                                           ? 'C4 H9 N O3'      119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                                          ? 'C11 H12 N2 O2'   204.225 
TYR 'L-peptide linking' y TYROSINE                                                            ? 'C9 H11 N O3'     181.189 
VAL 'L-peptide linking' y VALINE                                                              ? 'C5 H11 N O2'     117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   ILE 1   1   1   ILE ILE A . n 
A 1 2   PRO 2   2   2   PRO PRO A . n 
A 1 3   GLU 3   3   3   GLU GLU A . n 
A 1 4   TYR 4   4   4   TYR TYR A . n 
A 1 5   VAL 5   5   5   VAL VAL A . n 
A 1 6   ASP 6   6   6   ASP ASP A . n 
A 1 7   TRP 7   7   7   TRP TRP A . n 
A 1 8   ARG 8   8   8   ARG ARG A . n 
A 1 9   GLN 9   9   9   GLN GLN A . n 
A 1 10  LYS 10  10  10  LYS LYS A . n 
A 1 11  GLY 11  11  11  GLY GLY A . n 
A 1 12  ALA 12  12  12  ALA ALA A . n 
A 1 13  VAL 13  13  13  VAL VAL A . n 
A 1 14  THR 14  14  14  THR THR A . n 
A 1 15  PRO 15  15  15  PRO PRO A . n 
A 1 16  VAL 16  16  16  VAL VAL A . n 
A 1 17  LYS 17  17  17  LYS LYS A . n 
A 1 18  ASN 18  18  18  ASN ASN A . n 
A 1 19  GLN 19  19  19  GLN GLN A . n 
A 1 20  GLY 20  20  20  GLY GLY A . n 
A 1 21  SER 21  21  21  SER SER A . n 
A 1 22  CYS 22  22  22  CYS CYS A . n 
A 1 23  GLY 23  23  23  GLY GLY A . n 
A 1 24  SER 24  24  24  SER SER A . n 
A 1 25  CYS 25  25  25  CYS CYS A . n 
A 1 26  TRP 26  26  26  TRP TRP A . n 
A 1 27  ALA 27  27  27  ALA ALA A . n 
A 1 28  PHE 28  28  28  PHE PHE A . n 
A 1 29  SER 29  29  29  SER SER A . n 
A 1 30  ALA 30  30  30  ALA ALA A . n 
A 1 31  VAL 31  31  31  VAL VAL A . n 
A 1 32  VAL 32  32  32  VAL VAL A . n 
A 1 33  THR 33  33  33  THR THR A . n 
A 1 34  ILE 34  34  34  ILE ILE A . n 
A 1 35  GLU 35  35  35  GLU GLU A . n 
A 1 36  GLY 36  36  36  GLY GLY A . n 
A 1 37  ILE 37  37  37  ILE ILE A . n 
A 1 38  ILE 38  38  38  ILE ILE A . n 
A 1 39  LYS 39  39  39  LYS LYS A . n 
A 1 40  ILE 40  40  40  ILE ILE A . n 
A 1 41  ARG 41  41  41  ARG ARG A . n 
A 1 42  THR 42  42  42  THR THR A . n 
A 1 43  GLY 43  43  43  GLY GLY A . n 
A 1 44  ASN 44  44  44  ASN ASN A . n 
A 1 45  LEU 45  45  45  LEU LEU A . n 
A 1 46  ASN 46  46  46  ASN ASN A . n 
A 1 47  GLU 47  47  47  GLU GLU A . n 
A 1 48  TYR 48  48  48  TYR TYR A . n 
A 1 49  SER 49  49  49  SER SER A . n 
A 1 50  GLU 50  50  50  GLU GLU A . n 
A 1 51  GLN 51  51  51  GLN GLN A . n 
A 1 52  GLU 52  52  52  GLU GLU A . n 
A 1 53  LEU 53  53  53  LEU LEU A . n 
A 1 54  LEU 54  54  54  LEU LEU A . n 
A 1 55  ASP 55  55  55  ASP ASP A . n 
A 1 56  CYS 56  56  56  CYS CYS A . n 
A 1 57  ASP 57  57  57  ASP ASP A . n 
A 1 58  ARG 58  58  58  ARG ARG A . n 
A 1 59  ARG 59  59  59  ARG ARG A . n 
A 1 60  SER 60  60  60  SER SER A . n 
A 1 61  TYR 61  61  61  TYR TYR A . n 
A 1 62  GLY 62  62  62  GLY GLY A . n 
A 1 63  CYS 63  63  63  CYS CYS A . n 
A 1 64  ASN 64  64  64  ASN ASN A . n 
A 1 65  GLY 65  65  65  GLY GLY A . n 
A 1 66  GLY 66  66  66  GLY GLY A . n 
A 1 67  TYR 67  67  67  TYR TYR A . n 
A 1 68  PRO 68  68  68  PRO PRO A . n 
A 1 69  TRP 69  69  69  TRP TRP A . n 
A 1 70  SER 70  70  70  SER SER A . n 
A 1 71  ALA 71  71  71  ALA ALA A . n 
A 1 72  LEU 72  72  72  LEU LEU A . n 
A 1 73  GLN 73  73  73  GLN GLN A . n 
A 1 74  LEU 74  74  74  LEU LEU A . n 
A 1 75  VAL 75  75  75  VAL VAL A . n 
A 1 76  ALA 76  76  76  ALA ALA A . n 
A 1 77  GLN 77  77  77  GLN GLN A . n 
A 1 78  TYR 78  78  78  TYR TYR A . n 
A 1 79  GLY 79  79  79  GLY GLY A . n 
A 1 80  ILE 80  80  80  ILE ILE A . n 
A 1 81  HIS 81  81  81  HIS HIS A . n 
A 1 82  TYR 82  82  82  TYR TYR A . n 
A 1 83  ARG 83  83  83  ARG ARG A . n 
A 1 84  ASN 84  84  84  ASN ASN A . n 
A 1 85  THR 85  85  85  THR THR A . n 
A 1 86  TYR 86  86  86  TYR TYR A . n 
A 1 87  PRO 87  87  87  PRO PRO A . n 
A 1 88  TYR 88  88  88  TYR TYR A . n 
A 1 89  GLU 89  89  89  GLU GLU A . n 
A 1 90  GLY 90  90  90  GLY GLY A . n 
A 1 91  VAL 91  91  91  VAL VAL A . n 
A 1 92  GLN 92  92  92  GLN GLN A . n 
A 1 93  ARG 93  93  93  ARG ARG A . n 
A 1 94  TYR 94  94  94  TYR TYR A . n 
A 1 95  CYS 95  95  95  CYS CYS A . n 
A 1 96  ARG 96  96  96  ARG ARG A . n 
A 1 97  SER 97  97  97  SER SER A . n 
A 1 98  ARG 98  98  98  ARG ARG A . n 
A 1 99  GLU 99  99  99  GLU GLU A . n 
A 1 100 LYS 100 100 100 LYS LYS A . n 
A 1 101 GLY 101 101 101 GLY GLY A . n 
A 1 102 PRO 102 102 102 PRO PRO A . n 
A 1 103 TYR 103 103 103 TYR TYR A . n 
A 1 104 ALA 104 104 104 ALA ALA A . n 
A 1 105 ALA 105 105 105 ALA ALA A . n 
A 1 106 LYS 106 106 106 LYS LYS A . n 
A 1 107 THR 107 107 107 THR THR A . n 
A 1 108 ASP 108 108 108 ASP ASP A . n 
A 1 109 GLY 109 109 109 GLY GLY A . n 
A 1 110 VAL 110 110 110 VAL VAL A . n 
A 1 111 ARG 111 111 111 ARG ARG A . n 
A 1 112 GLN 112 112 112 GLN GLN A . n 
A 1 113 VAL 113 113 113 VAL VAL A . n 
A 1 114 GLN 114 114 114 GLN GLN A . n 
A 1 115 PRO 115 115 115 PRO PRO A . n 
A 1 116 TYR 116 116 116 TYR TYR A . n 
A 1 117 ASN 117 117 117 ASN ASN A . n 
A 1 118 GLU 118 118 118 GLU GLU A . n 
A 1 119 GLY 119 119 119 GLY GLY A . n 
A 1 120 ALA 120 120 120 ALA ALA A . n 
A 1 121 LEU 121 121 121 LEU LEU A . n 
A 1 122 LEU 122 122 122 LEU LEU A . n 
A 1 123 TYR 123 123 123 TYR TYR A . n 
A 1 124 SER 124 124 124 SER SER A . n 
A 1 125 ILE 125 125 125 ILE ILE A . n 
A 1 126 ALA 126 126 126 ALA ALA A . n 
A 1 127 ASN 127 127 127 ASN ASN A . n 
A 1 128 GLN 128 128 128 GLN GLN A . n 
A 1 129 PRO 129 129 129 PRO PRO A . n 
A 1 130 VAL 130 130 130 VAL VAL A . n 
A 1 131 SER 131 131 131 SER SER A . n 
A 1 132 VAL 132 132 132 VAL VAL A . n 
A 1 133 VAL 133 133 133 VAL VAL A . n 
A 1 134 LEU 134 134 134 LEU LEU A . n 
A 1 135 GLU 135 135 135 GLU GLU A . n 
A 1 136 ALA 136 136 136 ALA ALA A . n 
A 1 137 ALA 137 137 137 ALA ALA A . n 
A 1 138 GLY 138 138 138 GLY GLY A . n 
A 1 139 LYS 139 139 139 LYS LYS A . n 
A 1 140 ASP 140 140 140 ASP ASP A . n 
A 1 141 PHE 141 141 141 PHE PHE A . n 
A 1 142 GLN 142 142 142 GLN GLN A . n 
A 1 143 LEU 143 143 143 LEU LEU A . n 
A 1 144 TYR 144 144 144 TYR TYR A . n 
A 1 145 ARG 145 145 145 ARG ARG A . n 
A 1 146 GLY 146 146 146 GLY GLY A . n 
A 1 147 GLY 147 147 147 GLY GLY A . n 
A 1 148 ILE 148 148 148 ILE ILE A . n 
A 1 149 PHE 149 149 149 PHE PHE A . n 
A 1 150 VAL 150 150 150 VAL VAL A . n 
A 1 151 GLY 151 151 151 GLY GLY A . n 
A 1 152 PRO 152 152 152 PRO PRO A . n 
A 1 153 CYS 153 153 153 CYS CYS A . n 
A 1 154 GLY 154 154 154 GLY GLY A . n 
A 1 155 ASN 155 155 155 ASN ASN A . n 
A 1 156 LYS 156 156 156 LYS LYS A . n 
A 1 157 VAL 157 157 157 VAL VAL A . n 
A 1 158 ASP 158 158 158 ASP ASP A . n 
A 1 159 HIS 159 159 159 HIS HIS A . n 
A 1 160 ALA 160 160 160 ALA ALA A . n 
A 1 161 VAL 161 161 161 VAL VAL A . n 
A 1 162 ALA 162 162 162 ALA ALA A . n 
A 1 163 ALA 163 163 163 ALA ALA A . n 
A 1 164 VAL 164 164 164 VAL VAL A . n 
A 1 165 GLY 165 165 165 GLY GLY A . n 
A 1 166 TYR 166 166 166 TYR TYR A . n 
A 1 167 GLY 167 167 167 GLY GLY A . n 
A 1 168 PRO 168 168 168 PRO PRO A . n 
A 1 169 ASN 169 169 169 ASN ASN A . n 
A 1 170 TYR 170 170 170 TYR TYR A . n 
A 1 171 ILE 171 171 171 ILE ILE A . n 
A 1 172 LEU 172 172 172 LEU LEU A . n 
A 1 173 ILE 173 173 173 ILE ILE A . n 
A 1 174 LYS 174 174 174 LYS LYS A . n 
A 1 175 ASN 175 175 175 ASN ASN A . n 
A 1 176 SER 176 176 176 SER SER A . n 
A 1 177 TRP 177 177 177 TRP TRP A . n 
A 1 178 GLY 178 178 178 GLY GLY A . n 
A 1 179 THR 179 179 179 THR THR A . n 
A 1 180 GLY 180 180 180 GLY GLY A . n 
A 1 181 TRP 181 181 181 TRP TRP A . n 
A 1 182 GLY 182 182 182 GLY GLY A . n 
A 1 183 GLU 183 183 183 GLU GLU A . n 
A 1 184 ASN 184 184 184 ASN ASN A . n 
A 1 185 GLY 185 185 185 GLY GLY A . n 
A 1 186 TYR 186 186 186 TYR TYR A . n 
A 1 187 ILE 187 187 187 ILE ILE A . n 
A 1 188 ARG 188 188 188 ARG ARG A . n 
A 1 189 ILE 189 189 189 ILE ILE A . n 
A 1 190 LYS 190 190 190 LYS LYS A . n 
A 1 191 ARG 191 191 191 ARG ARG A . n 
A 1 192 GLY 192 192 192 GLY GLY A . n 
A 1 193 THR 193 193 193 THR THR A . n 
A 1 194 GLY 194 194 194 GLY GLY A . n 
A 1 195 ASN 195 195 195 ASN ASN A . n 
A 1 196 SER 196 196 196 SER SER A . n 
A 1 197 TYR 197 197 197 TYR TYR A . n 
A 1 198 GLY 198 198 198 GLY GLY A . n 
A 1 199 VAL 199 199 199 VAL VAL A . n 
A 1 200 CYS 200 200 200 CYS CYS A . n 
A 1 201 GLY 201 201 201 GLY GLY A . n 
A 1 202 LEU 202 202 202 LEU LEU A . n 
A 1 203 TYR 203 203 203 TYR TYR A . n 
A 1 204 THR 204 204 204 THR THR A . n 
A 1 205 SER 205 205 205 SER SER A . n 
A 1 206 SER 206 206 206 SER SER A . n 
A 1 207 PHE 207 207 207 PHE PHE A . n 
A 1 208 TYR 208 208 208 TYR TYR A . n 
A 1 209 PRO 209 209 209 PRO PRO A . n 
A 1 210 VAL 210 210 210 VAL VAL A . n 
A 1 211 LYS 211 211 211 LYS LYS A . n 
A 1 212 ASN 212 212 212 ASN ASN A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        E64 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   E64 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 E64 1  301 301 E64 E64 A . 
C 3 HOH 1  401 23  HOH HOH A . 
C 3 HOH 2  402 3   HOH HOH A . 
C 3 HOH 3  403 25  HOH HOH A . 
C 3 HOH 4  404 10  HOH HOH A . 
C 3 HOH 5  405 21  HOH HOH A . 
C 3 HOH 6  406 2   HOH HOH A . 
C 3 HOH 7  407 28  HOH HOH A . 
C 3 HOH 8  408 29  HOH HOH A . 
C 3 HOH 9  409 19  HOH HOH A . 
C 3 HOH 10 410 8   HOH HOH A . 
C 3 HOH 11 411 17  HOH HOH A . 
C 3 HOH 12 412 24  HOH HOH A . 
C 3 HOH 13 413 5   HOH HOH A . 
C 3 HOH 14 414 11  HOH HOH A . 
C 3 HOH 15 415 20  HOH HOH A . 
C 3 HOH 16 416 26  HOH HOH A . 
C 3 HOH 17 417 16  HOH HOH A . 
C 3 HOH 18 418 22  HOH HOH A . 
C 3 HOH 19 419 9   HOH HOH A . 
C 3 HOH 20 420 6   HOH HOH A . 
C 3 HOH 21 421 13  HOH HOH A . 
C 3 HOH 22 422 4   HOH HOH A . 
C 3 HOH 23 423 1   HOH HOH A . 
C 3 HOH 24 424 27  HOH HOH A . 
C 3 HOH 25 425 14  HOH HOH A . 
C 3 HOH 26 426 18  HOH HOH A . 
C 3 HOH 27 427 30  HOH HOH A . 
C 3 HOH 28 428 12  HOH HOH A . 
C 3 HOH 29 429 15  HOH HOH A . 
C 3 HOH 30 430 31  HOH HOH A . 
# 
loop_
_software.classification 
_software.name 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
refinement       PHENIX 1.20.1_4487 ? 1 
'data scaling'   XSCALE .           ? 2 
'data reduction' XDS    .           ? 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                     9NAR 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     41.920 
_cell.length_a_esd                 ? 
_cell.length_b                     48.320 
_cell.length_b_esd                 ? 
_cell.length_c                     100.240 
_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                         9NAR 
_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                   9NAR 
_exptl.crystals_number            ? 
_exptl.details                    ? 
_exptl.method                     'ELECTRON CRYSTALLOGRAPHY' 
_exptl.method_details             ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9NAR 
_refine.pdbx_refine_id                           'ELECTRON CRYSTALLOGRAPHY' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.50 
_refine.ls_d_res_low                             50.12 
_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                     7313 
_refine.ls_number_reflns_R_free                  732 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    97.77 
_refine.ls_percent_reflns_R_free                 10.01 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1938 
_refine.ls_R_factor_R_free                       0.2059 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1924 
_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.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                 17.38 
_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                            0.23 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'ELECTRON CRYSTALLOGRAPHY' ? 0.007 ? 1751 ? f_bond_d           ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 0.935 ? 2381 ? f_angle_d          ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 8.709 ? 256  ? f_dihedral_angle_d ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 0.063 ? 238  ? f_chiral_restr     ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 0.007 ? 316  ? 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.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'ELECTRON CRYSTALLOGRAPHY' 2.50 2.69  . . 144 1293 98.00 . . . . 0.2784 . . . . . . . . . . . 0.3022 
'ELECTRON CRYSTALLOGRAPHY' 2.69 2.96  . . 144 1289 98.00 . . . . 0.2585 . . . . . . . . . . . 0.2978 
'ELECTRON CRYSTALLOGRAPHY' 2.96 3.39  . . 145 1304 98.00 . . . . 0.2082 . . . . . . . . . . . 0.2519 
'ELECTRON CRYSTALLOGRAPHY' 3.39 4.27  . . 146 1319 98.00 . . . . 0.1498 . . . . . . . . . . . 0.1619 
'ELECTRON CRYSTALLOGRAPHY' 4.27 50.12 . . 153 1376 97.00 . . . . 0.1543 . . . . . . . . . . . 0.1403 
# 
_struct.entry_id                     9NAR 
_struct.title                        'MicroED structure of papain microcrystals soaked with E-64 for 10 minutes' 
_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        9NAR 
_struct_keywords.text            'Inhibitor, Complex, Protease, MicroED, 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              9NAR 
_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_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 ARG A 96  ? LYS A 100 ? ARG A 96  LYS A 100 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 ? ? ? ? ? ? ? 2.048 ? ? 
disulf2 disulf ?    ? A CYS 56  SG ? ? ? 1_555 A CYS 95  SG ? ? A CYS 56  A CYS 95  1_555 ? ? ? ? ? ? ? 2.048 ? ? 
disulf3 disulf ?    ? A CYS 153 SG ? ? ? 1_555 A CYS 200 SG ? ? A CYS 153 A CYS 200 1_555 ? ? ? ? ? ? ? 2.059 ? ? 
covale1 covale none ? A CYS 25  SG ? ? ? 1_555 B E64 .   C2 ? ? A CYS 25  A E64 301 1_555 ? ? ? ? ? ? ? 1.811 ? ? 
# 
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 E64 B .   ? CYS A 25  ? E64 A 301 ? 1_555 CYS A 25  ? 1_555 C2 SG CYS 1 E64 None 'Covalent chemical modification' 
2 CYS A 22  ? CYS A 63  ? CYS A 22  ? 1_555 CYS A 63  ? 1_555 SG SG .   . .   None 'Disulfide bridge'               
3 CYS A 56  ? CYS A 95  ? CYS A 56  ? 1_555 CYS A 95  ? 1_555 SG SG .   . .   None 'Disulfide bridge'               
4 CYS A 153 ? CYS A 200 ? CYS A 153 ? 1_555 CYS A 200 ? 1_555 SG SG .   . .   None 'Disulfide bridge'               
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          GLY 
_struct_mon_prot_cis.label_seq_id           151 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           GLY 
_struct_mon_prot_cis.auth_seq_id            151 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    152 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     152 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       3.28 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 3 ? 
AA2 ? 5 ? 
AA3 ? 2 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? parallel      
AA3 1 2 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 VAL A 5   ? ASP A 6   ? VAL A 5   ASP A 6   
AA1 2 HIS A 159 ? TYR A 166 ? HIS A 159 TYR A 166 
AA1 3 VAL A 130 ? LEU A 134 ? VAL A 130 LEU A 134 
AA2 1 VAL A 5   ? ASP A 6   ? VAL A 5   ASP A 6   
AA2 2 HIS A 159 ? TYR A 166 ? HIS A 159 TYR A 166 
AA2 3 TYR A 170 ? LYS A 174 ? TYR A 170 LYS A 174 
AA2 4 TYR A 186 ? LYS A 190 ? TYR A 186 LYS A 190 
AA2 5 ILE A 148 ? PHE A 149 ? ILE A 148 PHE A 149 
AA3 1 GLY A 109 ? GLN A 112 ? GLY A 109 GLN A 112 
AA3 2 PHE A 207 ? VAL A 210 ? PHE A 207 VAL A 210 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N VAL A 5   ? N VAL A 5   O TYR A 166 ? O TYR A 166 
AA1 2 3 O 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 ARG A 111 ? N ARG A 111 O TYR A 208 ? O TYR A 208 
# 
_pdbx_entry_details.entry_id                   9NAR 
_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 ASP A 158 ? ? -152.90 7.64   
2 1 SER A 205 ? ? -160.15 102.69 
# 
_em_3d_fitting.id                1 
_em_3d_fitting.entry_id          9NAR 
_em_3d_fitting.method            ? 
_em_3d_fitting.target_criteria   ? 
_em_3d_fitting.details           ? 
_em_3d_fitting.overall_b_value   ? 
_em_3d_fitting.ref_space         ? 
_em_3d_fitting.ref_protocol      ? 
# 
_em_3d_fitting_list.id                            1 
_em_3d_fitting_list.3d_fitting_id                 1 
_em_3d_fitting_list.pdb_entry_id                  9PAP 
_em_3d_fitting_list.pdb_chain_id                  ? 
_em_3d_fitting_list.pdb_chain_residue_range       ? 
_em_3d_fitting_list.details                       ? 
_em_3d_fitting_list.chain_id                      ? 
_em_3d_fitting_list.chain_residue_range           ? 
_em_3d_fitting_list.source_name                   PDB 
_em_3d_fitting_list.type                          'experimental model' 
_em_3d_fitting_list.accession_code                9PAP 
_em_3d_fitting_list.initial_refinement_model_id   1 
# 
_em_3d_reconstruction.entry_id                    9NAR 
_em_3d_reconstruction.id                          1 
_em_3d_reconstruction.method                      ? 
_em_3d_reconstruction.algorithm                   ? 
_em_3d_reconstruction.citation_id                 ? 
_em_3d_reconstruction.details                     ? 
_em_3d_reconstruction.resolution                  2.5 
_em_3d_reconstruction.resolution_method           'DIFFRACTION PATTERN/LAYERLINES' 
_em_3d_reconstruction.magnification_calibration   ? 
_em_3d_reconstruction.nominal_pixel_size          ? 
_em_3d_reconstruction.actual_pixel_size           ? 
_em_3d_reconstruction.num_particles               ? 
_em_3d_reconstruction.euler_angles_details        ? 
_em_3d_reconstruction.num_class_averages          ? 
_em_3d_reconstruction.refinement_type             ? 
_em_3d_reconstruction.image_processing_id         1 
_em_3d_reconstruction.symmetry_type               '3D CRYSTAL' 
# 
_em_buffer.id            1 
_em_buffer.specimen_id   1 
_em_buffer.name          ? 
_em_buffer.details       ? 
_em_buffer.pH            7 
# 
_em_entity_assembly.id                   1 
_em_entity_assembly.parent_id            0 
_em_entity_assembly.source               NATURAL 
_em_entity_assembly.type                 COMPLEX 
_em_entity_assembly.name                 'Papain-E-64 complex' 
_em_entity_assembly.details              ? 
_em_entity_assembly.synonym              ? 
_em_entity_assembly.oligomeric_details   ? 
_em_entity_assembly.entity_id_list       1 
# 
_em_imaging.entry_id                        9NAR 
_em_imaging.id                              1 
_em_imaging.astigmatism                     ? 
_em_imaging.electron_beam_tilt_params       ? 
_em_imaging.residual_tilt                   ? 
_em_imaging.microscope_model                'TFS TALOS F200C' 
_em_imaging.specimen_holder_type            ? 
_em_imaging.specimen_holder_model           'GATAN 626 SINGLE TILT LIQUID NITROGEN CRYO TRANSFER HOLDER' 
_em_imaging.details                         ? 
_em_imaging.date                            ? 
_em_imaging.accelerating_voltage            200 
_em_imaging.illumination_mode               'FLOOD BEAM' 
_em_imaging.mode                            DIFFRACTION 
_em_imaging.nominal_cs                      ? 
_em_imaging.nominal_defocus_min             10000 
_em_imaging.nominal_defocus_max             10000 
_em_imaging.calibrated_defocus_min          ? 
_em_imaging.calibrated_defocus_max          ? 
_em_imaging.tilt_angle_min                  ? 
_em_imaging.tilt_angle_max                  ? 
_em_imaging.nominal_magnification           ? 
_em_imaging.calibrated_magnification        ? 
_em_imaging.electron_source                 'FIELD EMISSION GUN' 
_em_imaging.citation_id                     ? 
_em_imaging.temperature                     ? 
_em_imaging.detector_distance               ? 
_em_imaging.recording_temperature_minimum   100 
_em_imaging.recording_temperature_maximum   100 
_em_imaging.alignment_procedure             ? 
_em_imaging.c2_aperture_diameter            70 
_em_imaging.specimen_id                     1 
_em_imaging.cryogen                         NITROGEN 
# 
_em_vitrification.entry_id              9NAR 
_em_vitrification.id                    1 
_em_vitrification.specimen_id           1 
_em_vitrification.cryogen_name          ETHANE 
_em_vitrification.humidity              ? 
_em_vitrification.temp                  ? 
_em_vitrification.chamber_temperature   ? 
_em_vitrification.instrument            ? 
_em_vitrification.method                ? 
_em_vitrification.time_resolved_state   ? 
_em_vitrification.citation_id           ? 
_em_vitrification.details               ? 
# 
_em_experiment.entry_id                9NAR 
_em_experiment.id                      1 
_em_experiment.reconstruction_method   CRYSTALLOGRAPHY 
_em_experiment.aggregation_state       '3D ARRAY' 
_em_experiment.entity_assembly_id      1 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
E64 C1   C N N 88  
E64 O1   O N N 89  
E64 O2   O N N 90  
E64 C2   C N N 91  
E64 C3   C N S 92  
E64 O3   O N N 93  
E64 C4   C N N 94  
E64 O4   O N N 95  
E64 N1   N N N 96  
E64 C6   C N S 97  
E64 C7   C N N 98  
E64 C8   C N N 99  
E64 C9   C N N 100 
E64 C10  C N N 101 
E64 C11  C N N 102 
E64 O5   O N N 103 
E64 N2   N N N 104 
E64 C12  C N N 105 
E64 C13  C N N 106 
E64 C14  C N N 107 
E64 C15  C N N 108 
E64 N3   N N N 109 
E64 C16  C N N 110 
E64 N4   N N N 111 
E64 N5   N N N 112 
E64 HO2  H N N 113 
E64 H21  H N N 114 
E64 H22  H N N 115 
E64 H3   H N N 116 
E64 HO3  H N N 117 
E64 HN1  H N N 118 
E64 H6   H N N 119 
E64 H71  H N N 120 
E64 H72  H N N 121 
E64 H8   H N N 122 
E64 H91  H N N 123 
E64 H92  H N N 124 
E64 H93  H N N 125 
E64 H101 H N N 126 
E64 H102 H N N 127 
E64 H103 H N N 128 
E64 HN2  H N N 129 
E64 H121 H N N 130 
E64 H122 H N N 131 
E64 H131 H N N 132 
E64 H132 H N N 133 
E64 H141 H N N 134 
E64 H142 H N N 135 
E64 H151 H N N 136 
E64 H152 H N N 137 
E64 HN3  H N N 138 
E64 HN41 H N N 139 
E64 HN42 H N N 140 
E64 HN51 H N N 141 
E64 HN52 H N N 142 
GLN N    N N N 143 
GLN CA   C N S 144 
GLN C    C N N 145 
GLN O    O N N 146 
GLN CB   C N N 147 
GLN CG   C N N 148 
GLN CD   C N N 149 
GLN OE1  O N N 150 
GLN NE2  N N N 151 
GLN OXT  O N N 152 
GLN H    H N N 153 
GLN H2   H N N 154 
GLN HA   H N N 155 
GLN HB2  H N N 156 
GLN HB3  H N N 157 
GLN HG2  H N N 158 
GLN HG3  H N N 159 
GLN HE21 H N N 160 
GLN HE22 H N N 161 
GLN HXT  H N N 162 
GLU N    N N N 163 
GLU CA   C N S 164 
GLU C    C N N 165 
GLU O    O N N 166 
GLU CB   C N N 167 
GLU CG   C N N 168 
GLU CD   C N N 169 
GLU OE1  O N N 170 
GLU OE2  O N N 171 
GLU OXT  O N N 172 
GLU H    H N N 173 
GLU H2   H N N 174 
GLU HA   H N N 175 
GLU HB2  H N N 176 
GLU HB3  H N N 177 
GLU HG2  H N N 178 
GLU HG3  H N N 179 
GLU HE2  H N N 180 
GLU HXT  H N N 181 
GLY N    N N N 182 
GLY CA   C N N 183 
GLY C    C N N 184 
GLY O    O N N 185 
GLY OXT  O N N 186 
GLY H    H N N 187 
GLY H2   H N N 188 
GLY HA2  H N N 189 
GLY HA3  H N N 190 
GLY HXT  H N N 191 
HIS N    N N N 192 
HIS CA   C N S 193 
HIS C    C N N 194 
HIS O    O N N 195 
HIS CB   C N N 196 
HIS CG   C Y N 197 
HIS ND1  N Y N 198 
HIS CD2  C Y N 199 
HIS CE1  C Y N 200 
HIS NE2  N Y N 201 
HIS OXT  O N N 202 
HIS H    H N N 203 
HIS H2   H N N 204 
HIS HA   H N N 205 
HIS HB2  H N N 206 
HIS HB3  H N N 207 
HIS HD1  H N N 208 
HIS HD2  H N N 209 
HIS HE1  H N N 210 
HIS HE2  H N N 211 
HIS HXT  H N N 212 
HOH O    O N N 213 
HOH H1   H N N 214 
HOH H2   H N N 215 
ILE N    N N N 216 
ILE CA   C N S 217 
ILE C    C N N 218 
ILE O    O N N 219 
ILE CB   C N S 220 
ILE CG1  C N N 221 
ILE CG2  C N N 222 
ILE CD1  C N N 223 
ILE OXT  O N N 224 
ILE H    H N N 225 
ILE H2   H N N 226 
ILE HA   H N N 227 
ILE HB   H N N 228 
ILE HG12 H N N 229 
ILE HG13 H N N 230 
ILE HG21 H N N 231 
ILE HG22 H N N 232 
ILE HG23 H N N 233 
ILE HD11 H N N 234 
ILE HD12 H N N 235 
ILE HD13 H N N 236 
ILE HXT  H N N 237 
LEU N    N N N 238 
LEU CA   C N S 239 
LEU C    C N N 240 
LEU O    O N N 241 
LEU CB   C N N 242 
LEU CG   C N N 243 
LEU CD1  C N N 244 
LEU CD2  C N N 245 
LEU OXT  O N N 246 
LEU H    H N N 247 
LEU H2   H N N 248 
LEU HA   H N N 249 
LEU HB2  H N N 250 
LEU HB3  H N N 251 
LEU HG   H N N 252 
LEU HD11 H N N 253 
LEU HD12 H N N 254 
LEU HD13 H N N 255 
LEU HD21 H N N 256 
LEU HD22 H N N 257 
LEU HD23 H N N 258 
LEU HXT  H N N 259 
LYS N    N N N 260 
LYS CA   C N S 261 
LYS C    C N N 262 
LYS O    O N N 263 
LYS CB   C N N 264 
LYS CG   C N N 265 
LYS CD   C N N 266 
LYS CE   C N N 267 
LYS NZ   N N N 268 
LYS OXT  O N N 269 
LYS H    H N N 270 
LYS H2   H N N 271 
LYS HA   H N N 272 
LYS HB2  H N N 273 
LYS HB3  H N N 274 
LYS HG2  H N N 275 
LYS HG3  H N N 276 
LYS HD2  H N N 277 
LYS HD3  H N N 278 
LYS HE2  H N N 279 
LYS HE3  H N N 280 
LYS HZ1  H N N 281 
LYS HZ2  H N N 282 
LYS HZ3  H N N 283 
LYS HXT  H N N 284 
PHE N    N N N 285 
PHE CA   C N S 286 
PHE C    C N N 287 
PHE O    O N N 288 
PHE CB   C N N 289 
PHE CG   C Y N 290 
PHE CD1  C Y N 291 
PHE CD2  C Y N 292 
PHE CE1  C Y N 293 
PHE CE2  C Y N 294 
PHE CZ   C Y N 295 
PHE OXT  O N N 296 
PHE H    H N N 297 
PHE H2   H N N 298 
PHE HA   H N N 299 
PHE HB2  H N N 300 
PHE HB3  H N N 301 
PHE HD1  H N N 302 
PHE HD2  H N N 303 
PHE HE1  H N N 304 
PHE HE2  H N N 305 
PHE HZ   H N N 306 
PHE HXT  H N N 307 
PRO N    N N N 308 
PRO CA   C N S 309 
PRO C    C N N 310 
PRO O    O N N 311 
PRO CB   C N N 312 
PRO CG   C N N 313 
PRO CD   C N N 314 
PRO OXT  O N N 315 
PRO H    H N N 316 
PRO HA   H N N 317 
PRO HB2  H N N 318 
PRO HB3  H N N 319 
PRO HG2  H N N 320 
PRO HG3  H N N 321 
PRO HD2  H N N 322 
PRO HD3  H N N 323 
PRO HXT  H N N 324 
SER N    N N N 325 
SER CA   C N S 326 
SER C    C N N 327 
SER O    O N N 328 
SER CB   C N N 329 
SER OG   O N N 330 
SER OXT  O N N 331 
SER H    H N N 332 
SER H2   H N N 333 
SER HA   H N N 334 
SER HB2  H N N 335 
SER HB3  H N N 336 
SER HG   H N N 337 
SER HXT  H N N 338 
THR N    N N N 339 
THR CA   C N S 340 
THR C    C N N 341 
THR O    O N N 342 
THR CB   C N R 343 
THR OG1  O N N 344 
THR CG2  C N N 345 
THR OXT  O N N 346 
THR H    H N N 347 
THR H2   H N N 348 
THR HA   H N N 349 
THR HB   H N N 350 
THR HG1  H N N 351 
THR HG21 H N N 352 
THR HG22 H N N 353 
THR HG23 H N N 354 
THR HXT  H N N 355 
TRP N    N N N 356 
TRP CA   C N S 357 
TRP C    C N N 358 
TRP O    O N N 359 
TRP CB   C N N 360 
TRP CG   C Y N 361 
TRP CD1  C Y N 362 
TRP CD2  C Y N 363 
TRP NE1  N Y N 364 
TRP CE2  C Y N 365 
TRP CE3  C Y N 366 
TRP CZ2  C Y N 367 
TRP CZ3  C Y N 368 
TRP CH2  C Y N 369 
TRP OXT  O N N 370 
TRP H    H N N 371 
TRP H2   H N N 372 
TRP HA   H N N 373 
TRP HB2  H N N 374 
TRP HB3  H N N 375 
TRP HD1  H N N 376 
TRP HE1  H N N 377 
TRP HE3  H N N 378 
TRP HZ2  H N N 379 
TRP HZ3  H N N 380 
TRP HH2  H N N 381 
TRP HXT  H N N 382 
TYR N    N N N 383 
TYR CA   C N S 384 
TYR C    C N N 385 
TYR O    O N N 386 
TYR CB   C N N 387 
TYR CG   C Y N 388 
TYR CD1  C Y N 389 
TYR CD2  C Y N 390 
TYR CE1  C Y N 391 
TYR CE2  C Y N 392 
TYR CZ   C Y N 393 
TYR OH   O N N 394 
TYR OXT  O N N 395 
TYR H    H N N 396 
TYR H2   H N N 397 
TYR HA   H N N 398 
TYR HB2  H N N 399 
TYR HB3  H N N 400 
TYR HD1  H N N 401 
TYR HD2  H N N 402 
TYR HE1  H N N 403 
TYR HE2  H N N 404 
TYR HH   H N N 405 
TYR HXT  H N N 406 
VAL N    N N N 407 
VAL CA   C N S 408 
VAL C    C N N 409 
VAL O    O N N 410 
VAL CB   C N N 411 
VAL CG1  C N N 412 
VAL CG2  C N N 413 
VAL OXT  O N N 414 
VAL H    H N N 415 
VAL H2   H N N 416 
VAL HA   H N N 417 
VAL HB   H N N 418 
VAL HG11 H N N 419 
VAL HG12 H N N 420 
VAL HG13 H N N 421 
VAL HG21 H N N 422 
VAL HG22 H N N 423 
VAL HG23 H N N 424 
VAL HXT  H N N 425 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
E64 C1  O1   doub N N 83  
E64 C1  O2   sing N N 84  
E64 C1  C2   sing N N 85  
E64 O2  HO2  sing N N 86  
E64 C2  C3   sing N N 87  
E64 C2  H21  sing N N 88  
E64 C2  H22  sing N N 89  
E64 C3  O3   sing N N 90  
E64 C3  C4   sing N N 91  
E64 C3  H3   sing N N 92  
E64 O3  HO3  sing N N 93  
E64 C4  O4   doub N N 94  
E64 C4  N1   sing N N 95  
E64 N1  C6   sing N N 96  
E64 N1  HN1  sing N N 97  
E64 C6  C7   sing N N 98  
E64 C6  C11  sing N N 99  
E64 C6  H6   sing N N 100 
E64 C7  C8   sing N N 101 
E64 C7  H71  sing N N 102 
E64 C7  H72  sing N N 103 
E64 C8  C9   sing N N 104 
E64 C8  C10  sing N N 105 
E64 C8  H8   sing N N 106 
E64 C9  H91  sing N N 107 
E64 C9  H92  sing N N 108 
E64 C9  H93  sing N N 109 
E64 C10 H101 sing N N 110 
E64 C10 H102 sing N N 111 
E64 C10 H103 sing N N 112 
E64 C11 O5   doub N N 113 
E64 C11 N2   sing N N 114 
E64 N2  C12  sing N N 115 
E64 N2  HN2  sing N N 116 
E64 C12 C13  sing N N 117 
E64 C12 H121 sing N N 118 
E64 C12 H122 sing N N 119 
E64 C13 C14  sing N N 120 
E64 C13 H131 sing N N 121 
E64 C13 H132 sing N N 122 
E64 C14 C15  sing N N 123 
E64 C14 H141 sing N N 124 
E64 C14 H142 sing N N 125 
E64 C15 N3   sing N N 126 
E64 C15 H151 sing N N 127 
E64 C15 H152 sing N N 128 
E64 N3  C16  sing N N 129 
E64 N3  HN3  sing N N 130 
E64 C16 N4   sing N N 131 
E64 C16 N5   doub N N 132 
E64 N4  HN41 sing N N 133 
E64 N4  HN42 sing N N 134 
E64 N5  HN51 sing N N 135 
E64 N5  HN52 sing N N 136 
GLN N   CA   sing N N 137 
GLN N   H    sing N N 138 
GLN N   H2   sing N N 139 
GLN CA  C    sing N N 140 
GLN CA  CB   sing N N 141 
GLN CA  HA   sing N N 142 
GLN C   O    doub N N 143 
GLN C   OXT  sing N N 144 
GLN CB  CG   sing N N 145 
GLN CB  HB2  sing N N 146 
GLN CB  HB3  sing N N 147 
GLN CG  CD   sing N N 148 
GLN CG  HG2  sing N N 149 
GLN CG  HG3  sing N N 150 
GLN CD  OE1  doub N N 151 
GLN CD  NE2  sing N N 152 
GLN NE2 HE21 sing N N 153 
GLN NE2 HE22 sing N N 154 
GLN OXT HXT  sing N N 155 
GLU N   CA   sing N N 156 
GLU N   H    sing N N 157 
GLU N   H2   sing N N 158 
GLU CA  C    sing N N 159 
GLU CA  CB   sing N N 160 
GLU CA  HA   sing N N 161 
GLU C   O    doub N N 162 
GLU C   OXT  sing N N 163 
GLU CB  CG   sing N N 164 
GLU CB  HB2  sing N N 165 
GLU CB  HB3  sing N N 166 
GLU CG  CD   sing N N 167 
GLU CG  HG2  sing N N 168 
GLU CG  HG3  sing N N 169 
GLU CD  OE1  doub N N 170 
GLU CD  OE2  sing N N 171 
GLU OE2 HE2  sing N N 172 
GLU OXT HXT  sing N N 173 
GLY N   CA   sing N N 174 
GLY N   H    sing N N 175 
GLY N   H2   sing N N 176 
GLY CA  C    sing N N 177 
GLY CA  HA2  sing N N 178 
GLY CA  HA3  sing N N 179 
GLY C   O    doub N N 180 
GLY C   OXT  sing N N 181 
GLY OXT HXT  sing N N 182 
HIS N   CA   sing N N 183 
HIS N   H    sing N N 184 
HIS N   H2   sing N N 185 
HIS CA  C    sing N N 186 
HIS CA  CB   sing N N 187 
HIS CA  HA   sing N N 188 
HIS C   O    doub N N 189 
HIS C   OXT  sing N N 190 
HIS CB  CG   sing N N 191 
HIS CB  HB2  sing N N 192 
HIS CB  HB3  sing N N 193 
HIS CG  ND1  sing Y N 194 
HIS CG  CD2  doub Y N 195 
HIS ND1 CE1  doub Y N 196 
HIS ND1 HD1  sing N N 197 
HIS CD2 NE2  sing Y N 198 
HIS CD2 HD2  sing N N 199 
HIS CE1 NE2  sing Y N 200 
HIS CE1 HE1  sing N N 201 
HIS NE2 HE2  sing N N 202 
HIS OXT HXT  sing N N 203 
HOH O   H1   sing N N 204 
HOH O   H2   sing N N 205 
ILE N   CA   sing N N 206 
ILE N   H    sing N N 207 
ILE N   H2   sing N N 208 
ILE CA  C    sing N N 209 
ILE CA  CB   sing N N 210 
ILE CA  HA   sing N N 211 
ILE C   O    doub N N 212 
ILE C   OXT  sing N N 213 
ILE CB  CG1  sing N N 214 
ILE CB  CG2  sing N N 215 
ILE CB  HB   sing N N 216 
ILE CG1 CD1  sing N N 217 
ILE CG1 HG12 sing N N 218 
ILE CG1 HG13 sing N N 219 
ILE CG2 HG21 sing N N 220 
ILE CG2 HG22 sing N N 221 
ILE CG2 HG23 sing N N 222 
ILE CD1 HD11 sing N N 223 
ILE CD1 HD12 sing N N 224 
ILE CD1 HD13 sing N N 225 
ILE OXT HXT  sing N N 226 
LEU N   CA   sing N N 227 
LEU N   H    sing N N 228 
LEU N   H2   sing N N 229 
LEU CA  C    sing N N 230 
LEU CA  CB   sing N N 231 
LEU CA  HA   sing N N 232 
LEU C   O    doub N N 233 
LEU C   OXT  sing N N 234 
LEU CB  CG   sing N N 235 
LEU CB  HB2  sing N N 236 
LEU CB  HB3  sing N N 237 
LEU CG  CD1  sing N N 238 
LEU CG  CD2  sing N N 239 
LEU CG  HG   sing N N 240 
LEU CD1 HD11 sing N N 241 
LEU CD1 HD12 sing N N 242 
LEU CD1 HD13 sing N N 243 
LEU CD2 HD21 sing N N 244 
LEU CD2 HD22 sing N N 245 
LEU CD2 HD23 sing N N 246 
LEU OXT HXT  sing N N 247 
LYS N   CA   sing N N 248 
LYS N   H    sing N N 249 
LYS N   H2   sing N N 250 
LYS CA  C    sing N N 251 
LYS CA  CB   sing N N 252 
LYS CA  HA   sing N N 253 
LYS C   O    doub N N 254 
LYS C   OXT  sing N N 255 
LYS CB  CG   sing N N 256 
LYS CB  HB2  sing N N 257 
LYS CB  HB3  sing N N 258 
LYS CG  CD   sing N N 259 
LYS CG  HG2  sing N N 260 
LYS CG  HG3  sing N N 261 
LYS CD  CE   sing N N 262 
LYS CD  HD2  sing N N 263 
LYS CD  HD3  sing N N 264 
LYS CE  NZ   sing N N 265 
LYS CE  HE2  sing N N 266 
LYS CE  HE3  sing N N 267 
LYS NZ  HZ1  sing N N 268 
LYS NZ  HZ2  sing N N 269 
LYS NZ  HZ3  sing N N 270 
LYS OXT HXT  sing N N 271 
PHE N   CA   sing N N 272 
PHE N   H    sing N N 273 
PHE N   H2   sing N N 274 
PHE CA  C    sing N N 275 
PHE CA  CB   sing N N 276 
PHE CA  HA   sing N N 277 
PHE C   O    doub N N 278 
PHE C   OXT  sing N N 279 
PHE CB  CG   sing N N 280 
PHE CB  HB2  sing N N 281 
PHE CB  HB3  sing N N 282 
PHE CG  CD1  doub Y N 283 
PHE CG  CD2  sing Y N 284 
PHE CD1 CE1  sing Y N 285 
PHE CD1 HD1  sing N N 286 
PHE CD2 CE2  doub Y N 287 
PHE CD2 HD2  sing N N 288 
PHE CE1 CZ   doub Y N 289 
PHE CE1 HE1  sing N N 290 
PHE CE2 CZ   sing Y N 291 
PHE CE2 HE2  sing N N 292 
PHE CZ  HZ   sing N N 293 
PHE OXT HXT  sing N N 294 
PRO N   CA   sing N N 295 
PRO N   CD   sing N N 296 
PRO N   H    sing N N 297 
PRO CA  C    sing N N 298 
PRO CA  CB   sing N N 299 
PRO CA  HA   sing N N 300 
PRO C   O    doub N N 301 
PRO C   OXT  sing N N 302 
PRO CB  CG   sing N N 303 
PRO CB  HB2  sing N N 304 
PRO CB  HB3  sing N N 305 
PRO CG  CD   sing N N 306 
PRO CG  HG2  sing N N 307 
PRO CG  HG3  sing N N 308 
PRO CD  HD2  sing N N 309 
PRO CD  HD3  sing N N 310 
PRO OXT HXT  sing N N 311 
SER N   CA   sing N N 312 
SER N   H    sing N N 313 
SER N   H2   sing N N 314 
SER CA  C    sing N N 315 
SER CA  CB   sing N N 316 
SER CA  HA   sing N N 317 
SER C   O    doub N N 318 
SER C   OXT  sing N N 319 
SER CB  OG   sing N N 320 
SER CB  HB2  sing N N 321 
SER CB  HB3  sing N N 322 
SER OG  HG   sing N N 323 
SER OXT HXT  sing N N 324 
THR N   CA   sing N N 325 
THR N   H    sing N N 326 
THR N   H2   sing N N 327 
THR CA  C    sing N N 328 
THR CA  CB   sing N N 329 
THR CA  HA   sing N N 330 
THR C   O    doub N N 331 
THR C   OXT  sing N N 332 
THR CB  OG1  sing N N 333 
THR CB  CG2  sing N N 334 
THR CB  HB   sing N N 335 
THR OG1 HG1  sing N N 336 
THR CG2 HG21 sing N N 337 
THR CG2 HG22 sing N N 338 
THR CG2 HG23 sing N N 339 
THR OXT HXT  sing N N 340 
TRP N   CA   sing N N 341 
TRP N   H    sing N N 342 
TRP N   H2   sing N N 343 
TRP CA  C    sing N N 344 
TRP CA  CB   sing N N 345 
TRP CA  HA   sing N N 346 
TRP C   O    doub N N 347 
TRP C   OXT  sing N N 348 
TRP CB  CG   sing N N 349 
TRP CB  HB2  sing N N 350 
TRP CB  HB3  sing N N 351 
TRP CG  CD1  doub Y N 352 
TRP CG  CD2  sing Y N 353 
TRP CD1 NE1  sing Y N 354 
TRP CD1 HD1  sing N N 355 
TRP CD2 CE2  doub Y N 356 
TRP CD2 CE3  sing Y N 357 
TRP NE1 CE2  sing Y N 358 
TRP NE1 HE1  sing N N 359 
TRP CE2 CZ2  sing Y N 360 
TRP CE3 CZ3  doub Y N 361 
TRP CE3 HE3  sing N N 362 
TRP CZ2 CH2  doub Y N 363 
TRP CZ2 HZ2  sing N N 364 
TRP CZ3 CH2  sing Y N 365 
TRP CZ3 HZ3  sing N N 366 
TRP CH2 HH2  sing N N 367 
TRP OXT HXT  sing N N 368 
TYR N   CA   sing N N 369 
TYR N   H    sing N N 370 
TYR N   H2   sing N N 371 
TYR CA  C    sing N N 372 
TYR CA  CB   sing N N 373 
TYR CA  HA   sing N N 374 
TYR C   O    doub N N 375 
TYR C   OXT  sing N N 376 
TYR CB  CG   sing N N 377 
TYR CB  HB2  sing N N 378 
TYR CB  HB3  sing N N 379 
TYR CG  CD1  doub Y N 380 
TYR CG  CD2  sing Y N 381 
TYR CD1 CE1  sing Y N 382 
TYR CD1 HD1  sing N N 383 
TYR CD2 CE2  doub Y N 384 
TYR CD2 HD2  sing N N 385 
TYR CE1 CZ   doub Y N 386 
TYR CE1 HE1  sing N N 387 
TYR CE2 CZ   sing Y N 388 
TYR CE2 HE2  sing N N 389 
TYR CZ  OH   sing N N 390 
TYR OH  HH   sing N N 391 
TYR OXT HXT  sing N N 392 
VAL N   CA   sing N N 393 
VAL N   H    sing N N 394 
VAL N   H2   sing N N 395 
VAL CA  C    sing N N 396 
VAL CA  CB   sing N N 397 
VAL CA  HA   sing N N 398 
VAL C   O    doub N N 399 
VAL C   OXT  sing N N 400 
VAL CB  CG1  sing N N 401 
VAL CB  CG2  sing N N 402 
VAL CB  HB   sing N N 403 
VAL CG1 HG11 sing N N 404 
VAL CG1 HG12 sing N N 405 
VAL CG1 HG13 sing N N 406 
VAL CG2 HG21 sing N N 407 
VAL CG2 HG22 sing N N 408 
VAL CG2 HG23 sing N N 409 
VAL OXT HXT  sing N N 410 
# 
_em_3d_crystal_entity.angle_alpha           90 
_em_3d_crystal_entity.angle_beta            90 
_em_3d_crystal_entity.angle_gamma           90 
_em_3d_crystal_entity.image_processing_id   1 
_em_3d_crystal_entity.id                    1 
_em_3d_crystal_entity.length_a              41.92 
_em_3d_crystal_entity.length_b              48.32 
_em_3d_crystal_entity.length_c              100.24 
_em_3d_crystal_entity.space_group_name      'P 21 21 21' 
_em_3d_crystal_entity.space_group_num       19 
# 
_em_ctf_correction.details                  ? 
_em_ctf_correction.em_image_processing_id   1 
_em_ctf_correction.id                       1 
_em_ctf_correction.type                     NONE 
# 
_em_diffraction_shell.em_diffraction_stats_id   1 
_em_diffraction_shell.fourier_space_coverage    98.5 
_em_diffraction_shell.high_resolution           2.5 
_em_diffraction_shell.id                        1 
_em_diffraction_shell.low_resolution            2.6 
_em_diffraction_shell.multiplicity              5.9 
_em_diffraction_shell.num_structure_factors     790 
_em_diffraction_shell.phase_residual            26.4 
# 
_em_diffraction_stats.details                          ? 
_em_diffraction_stats.fourier_space_coverage           97.7 
_em_diffraction_stats.high_resolution                  2.5 
_em_diffraction_stats.id                               1 
_em_diffraction_stats.image_processing_id              1 
_em_diffraction_stats.num_intensities_measured         41982 
_em_diffraction_stats.num_structure_factors            7342 
_em_diffraction_stats.overall_phase_error              ? 
_em_diffraction_stats.overall_phase_residual           ? 
_em_diffraction_stats.phase_error_rejection_criteria   NULL 
_em_diffraction_stats.r_merge                          29.6 
_em_diffraction_stats.r_sym                            ? 
# 
_em_entity_assembly_naturalsource.cell                 ? 
_em_entity_assembly_naturalsource.cellular_location    ? 
_em_entity_assembly_naturalsource.entity_assembly_id   1 
_em_entity_assembly_naturalsource.id                   2 
_em_entity_assembly_naturalsource.ncbi_tax_id          3649 
_em_entity_assembly_naturalsource.organism             'Carica papaya' 
_em_entity_assembly_naturalsource.organelle            ? 
_em_entity_assembly_naturalsource.organ                ? 
_em_entity_assembly_naturalsource.strain               ? 
_em_entity_assembly_naturalsource.tissue               ? 
_em_entity_assembly_naturalsource.details              ? 
# 
_em_image_processing.details              ? 
_em_image_processing.id                   1 
_em_image_processing.image_recording_id   1 
# 
_em_image_recording.average_exposure_time               ? 
_em_image_recording.avg_electron_dose_per_subtomogram   ? 
_em_image_recording.avg_electron_dose_per_image         0.045 
_em_image_recording.details                             ? 
_em_image_recording.detector_mode                       ? 
_em_image_recording.film_or_detector_model              'DIRECT ELECTRON APOLLO (4k x 4k)' 
_em_image_recording.id                                  1 
_em_image_recording.imaging_id                          1 
_em_image_recording.num_diffraction_images              ? 
_em_image_recording.num_grids_imaged                    ? 
_em_image_recording.num_real_images                     ? 
# 
loop_
_em_software.category 
_em_software.details 
_em_software.id 
_em_software.image_processing_id 
_em_software.fitting_id 
_em_software.imaging_id 
_em_software.name 
_em_software.version 
'IMAGE ACQUISITION'             ? 1  ? ? 1 ? ? 
MASKING                         ? 2  ? ? ? ? ? 
'CTF CORRECTION'                ? 3  1 ? ? ? ? 
'LAYERLINE INDEXING'            ? 4  ? ? ? ? ? 
'DIFFRACTION INDEXING'          ? 5  ? ? ? ? ? 
'MODEL FITTING'                 ? 6  ? 1 ? ? ? 
OTHER                           ? 7  ? ? ? ? ? 
'MOLECULAR REPLACEMENT'         ? 8  1 ? ? ? ? 
'LATTICE DISTORTION CORRECTION' ? 9  1 ? ? ? ? 
'SYMMETRY DETERMINATION'        ? 10 1 ? ? ? ? 
'CRYSTALLOGRAPHY MERGING'       ? 11 1 ? ? ? ? 
RECONSTRUCTION                  ? 12 1 ? ? ? ? 
'MODEL REFINEMENT'              ? 13 ? 1 ? ? ? 
# 
_em_specimen.concentration           ? 
_em_specimen.details                 
'Papain microcrystals were soaked in 2.5 mM E-64 solution for 10 minutes prior to vitrification' 
_em_specimen.embedding_applied       NO 
_em_specimen.experiment_id           1 
_em_specimen.id                      1 
_em_specimen.shadowing_applied       NO 
_em_specimen.staining_applied        NO 
_em_specimen.vitrification_applied   YES 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'National Science Foundation (NSF, United States)' 'United States' DMR-1548924       1 
'Department of Energy (DOE, United States)'        'United States' DE-FC02-02ER63421 2 
'Howard Hughes Medical Institute (HHMI)'           'United States' HHMI-EPI          3 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   9PAP 
# 
_atom_sites.entry_id                    9NAR 
_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]   0.023855 
_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]   0.020695 
_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]   0.009976 
_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   ? 22.346  -10.462 20.563 1.00 26.51 ? 1   ILE A N   1 
ATOM   2    C CA  . ILE A 1 1   ? 22.125  -9.458  19.527 1.00 17.78 ? 1   ILE A CA  1 
ATOM   3    C C   . ILE A 1 1   ? 23.414  -8.668  19.291 1.00 26.07 ? 1   ILE A C   1 
ATOM   4    O O   . ILE A 1 1   ? 24.235  -8.519  20.194 1.00 23.65 ? 1   ILE A O   1 
ATOM   5    C CB  . ILE A 1 1   ? 20.949  -8.519  19.892 1.00 12.75 ? 1   ILE A CB  1 
ATOM   6    C CG1 . ILE A 1 1   ? 21.303  -7.645  21.100 1.00 15.50 ? 1   ILE A CG1 1 
ATOM   7    C CG2 . ILE A 1 1   ? 19.709  -9.326  20.169 1.00 14.98 ? 1   ILE A CG2 1 
ATOM   8    C CD1 . ILE A 1 1   ? 20.179  -6.732  21.536 1.00 10.13 ? 1   ILE A CD1 1 
ATOM   9    N N   . PRO A 1 2   ? 23.589  -8.141  18.086 1.00 24.68 ? 2   PRO A N   1 
ATOM   10   C CA  . PRO A 1 2   ? 24.884  -7.564  17.722 1.00 23.90 ? 2   PRO A CA  1 
ATOM   11   C C   . PRO A 1 2   ? 25.032  -6.154  18.261 1.00 17.52 ? 2   PRO A C   1 
ATOM   12   O O   . PRO A 1 2   ? 24.072  -5.525  18.709 1.00 17.22 ? 2   PRO A O   1 
ATOM   13   C CB  . PRO A 1 2   ? 24.859  -7.568  16.189 1.00 28.21 ? 2   PRO A CB  1 
ATOM   14   C CG  . PRO A 1 2   ? 23.429  -7.463  15.833 1.00 21.57 ? 2   PRO A CG  1 
ATOM   15   C CD  . PRO A 1 2   ? 22.662  -8.193  16.935 1.00 15.94 ? 2   PRO A CD  1 
ATOM   16   N N   . GLU A 1 3   ? 26.278  -5.673  18.246 1.00 16.90 ? 3   GLU A N   1 
ATOM   17   C CA  . GLU A 1 3   ? 26.530  -4.369  18.841 1.00 26.35 ? 3   GLU A CA  1 
ATOM   18   C C   . GLU A 1 3   ? 25.905  -3.267  18.012 1.00 27.86 ? 3   GLU A C   1 
ATOM   19   O O   . GLU A 1 3   ? 25.517  -2.230  18.554 1.00 21.28 ? 3   GLU A O   1 
ATOM   20   C CB  . GLU A 1 3   ? 28.026  -4.140  19.017 1.00 26.22 ? 3   GLU A CB  1 
ATOM   21   C CG  . GLU A 1 3   ? 28.550  -4.757  20.321 1.00 15.25 ? 3   GLU A CG  1 
ATOM   22   C CD  . GLU A 1 3   ? 29.378  -3.788  21.191 1.00 39.35 ? 3   GLU A CD  1 
ATOM   23   O OE1 . GLU A 1 3   ? 29.132  -2.561  21.126 1.00 36.24 ? 3   GLU A OE1 1 
ATOM   24   O OE2 . GLU A 1 3   ? 30.261  -4.257  21.958 1.00 27.36 ? 3   GLU A OE2 1 
ATOM   25   N N   . TYR A 1 4   ? 25.776  -3.480  16.714 1.00 17.64 ? 4   TYR A N   1 
ATOM   26   C CA  . TYR A 1 4   ? 25.175  -2.511  15.814 1.00 18.71 ? 4   TYR A CA  1 
ATOM   27   C C   . TYR A 1 4   ? 24.063  -3.152  15.015 1.00 17.15 ? 4   TYR A C   1 
ATOM   28   O O   . TYR A 1 4   ? 24.196  -4.282  14.533 1.00 17.00 ? 4   TYR A O   1 
ATOM   29   C CB  . TYR A 1 4   ? 26.192  -1.955  14.827 1.00 19.63 ? 4   TYR A CB  1 
ATOM   30   C CG  . TYR A 1 4   ? 27.150  -0.971  15.409 1.00 27.17 ? 4   TYR A CG  1 
ATOM   31   C CD1 . TYR A 1 4   ? 26.824  0.374   15.447 1.00 31.81 ? 4   TYR A CD1 1 
ATOM   32   C CD2 . TYR A 1 4   ? 28.369  -1.377  15.932 1.00 37.30 ? 4   TYR A CD2 1 
ATOM   33   C CE1 . TYR A 1 4   ? 27.685  1.296   15.971 1.00 28.89 ? 4   TYR A CE1 1 
ATOM   34   C CE2 . TYR A 1 4   ? 29.249  -0.455  16.471 1.00 18.84 ? 4   TYR A CE2 1 
ATOM   35   C CZ  . TYR A 1 4   ? 28.897  0.885   16.477 1.00 17.86 ? 4   TYR A CZ  1 
ATOM   36   O OH  . TYR A 1 4   ? 29.740  1.831   17.007 1.00 28.25 ? 4   TYR A OH  1 
ATOM   37   N N   . VAL A 1 5   ? 22.963  -2.426  14.893 1.00 14.31 ? 5   VAL A N   1 
ATOM   38   C CA  . VAL A 1 5   ? 21.876  -2.763  13.987 1.00 14.61 ? 5   VAL A CA  1 
ATOM   39   C C   . VAL A 1 5   ? 21.522  -1.494  13.242 1.00 15.25 ? 5   VAL A C   1 
ATOM   40   O O   . VAL A 1 5   ? 21.516  -0.406  13.825 1.00 12.22 ? 5   VAL A O   1 
ATOM   41   C CB  . VAL A 1 5   ? 20.652  -3.367  14.708 1.00 14.13 ? 5   VAL A CB  1 
ATOM   42   C CG1 . VAL A 1 5   ? 19.457  -3.482  13.754 1.00 21.93 ? 5   VAL A CG1 1 
ATOM   43   C CG2 . VAL A 1 5   ? 21.017  -4.742  15.293 1.00 14.25 ? 5   VAL A CG2 1 
ATOM   44   N N   . ASP A 1 6   ? 21.278  -1.625  11.949 1.00 17.41 ? 6   ASP A N   1 
ATOM   45   C CA  . ASP A 1 6   ? 20.856  -0.489  11.142 1.00 15.19 ? 6   ASP A CA  1 
ATOM   46   C C   . ASP A 1 6   ? 20.038  -1.076  10.000 1.00 18.04 ? 6   ASP A C   1 
ATOM   47   O O   . ASP A 1 6   ? 20.595  -1.543  8.998  1.00 16.58 ? 6   ASP A O   1 
ATOM   48   C CB  . ASP A 1 6   ? 22.040  0.330   10.638 1.00 16.59 ? 6   ASP A CB  1 
ATOM   49   C CG  . ASP A 1 6   ? 21.605  1.605   9.919  1.00 25.71 ? 6   ASP A CG  1 
ATOM   50   O OD1 . ASP A 1 6   ? 20.419  1.711   9.523  1.00 20.62 ? 6   ASP A OD1 1 
ATOM   51   O OD2 . ASP A 1 6   ? 22.457  2.506   9.766  1.00 24.46 ? 6   ASP A OD2 1 
ATOM   52   N N   . TRP A 1 7   ? 18.719  -1.073  10.175 1.00 15.79 ? 7   TRP A N   1 
ATOM   53   C CA  . TRP A 1 7   ? 17.859  -1.675  9.175  1.00 15.09 ? 7   TRP A CA  1 
ATOM   54   C C   . TRP A 1 7   ? 17.922  -0.977  7.830  1.00 14.06 ? 7   TRP A C   1 
ATOM   55   O O   . TRP A 1 7   ? 17.517  -1.584  6.828  1.00 14.33 ? 7   TRP A O   1 
ATOM   56   C CB  . TRP A 1 7   ? 16.428  -1.710  9.699  1.00 14.06 ? 7   TRP A CB  1 
ATOM   57   C CG  . TRP A 1 7   ? 16.262  -2.831  10.654 1.00 18.44 ? 7   TRP A CG  1 
ATOM   58   C CD1 . TRP A 1 7   ? 16.108  -2.767  12.014 1.00 14.95 ? 7   TRP A CD1 1 
ATOM   59   C CD2 . TRP A 1 7   ? 16.280  -4.220  10.309 1.00 16.74 ? 7   TRP A CD2 1 
ATOM   60   N NE1 . TRP A 1 7   ? 16.015  -4.048  12.534 1.00 15.15 ? 7   TRP A NE1 1 
ATOM   61   C CE2 . TRP A 1 7   ? 16.121  -4.952  11.506 1.00 19.49 ? 7   TRP A CE2 1 
ATOM   62   C CE3 . TRP A 1 7   ? 16.412  -4.915  9.098  1.00 17.80 ? 7   TRP A CE3 1 
ATOM   63   C CZ2 . TRP A 1 7   ? 16.088  -6.349  11.524 1.00 17.80 ? 7   TRP A CZ2 1 
ATOM   64   C CZ3 . TRP A 1 7   ? 16.376  -6.294  9.113  1.00 15.36 ? 7   TRP A CZ3 1 
ATOM   65   C CH2 . TRP A 1 7   ? 16.212  -7.003  10.320 1.00 14.06 ? 7   TRP A CH2 1 
ATOM   66   N N   . ARG A 1 8   ? 18.426  0.264   7.767  1.00 9.89  ? 8   ARG A N   1 
ATOM   67   C CA  . ARG A 1 8   ? 18.614  0.878   6.459  1.00 11.51 ? 8   ARG A CA  1 
ATOM   68   C C   . ARG A 1 8   ? 19.627  0.101   5.639  1.00 8.40  ? 8   ARG A C   1 
ATOM   69   O O   . ARG A 1 8   ? 19.496  -0.012  4.419  1.00 15.62 ? 8   ARG A O   1 
ATOM   70   C CB  . ARG A 1 8   ? 19.095  2.325   6.625  1.00 13.72 ? 8   ARG A CB  1 
ATOM   71   C CG  . ARG A 1 8   ? 18.139  3.198   7.391  1.00 12.71 ? 8   ARG A CG  1 
ATOM   72   C CD  . ARG A 1 8   ? 18.735  4.567   7.628  1.00 17.85 ? 8   ARG A CD  1 
ATOM   73   N NE  . ARG A 1 8   ? 19.886  4.487   8.515  1.00 29.44 ? 8   ARG A NE  1 
ATOM   74   C CZ  . ARG A 1 8   ? 20.567  5.534   8.954  1.00 33.42 ? 8   ARG A CZ  1 
ATOM   75   N NH1 . ARG A 1 8   ? 20.248  6.770   8.594  1.00 15.98 ? 8   ARG A NH1 1 
ATOM   76   N NH2 . ARG A 1 8   ? 21.597  5.335   9.769  1.00 18.50 ? 8   ARG A NH2 1 
ATOM   77   N N   . GLN A 1 9   ? 20.673  -0.402  6.292  1.00 13.38 ? 9   GLN A N   1 
ATOM   78   C CA  . GLN A 1 9   ? 21.698  -1.131  5.579  1.00 18.13 ? 9   GLN A CA  1 
ATOM   79   C C   . GLN A 1 9   ? 21.226  -2.502  5.128  1.00 17.01 ? 9   GLN A C   1 
ATOM   80   O O   . GLN A 1 9   ? 21.831  -3.066  4.219  1.00 20.13 ? 9   GLN A O   1 
ATOM   81   C CB  . GLN A 1 9   ? 22.969  -1.204  6.415  1.00 17.55 ? 9   GLN A CB  1 
ATOM   82   C CG  . GLN A 1 9   ? 23.618  0.165   6.588  1.00 64.02 ? 9   GLN A CG  1 
ATOM   83   C CD  . GLN A 1 9   ? 24.810  0.147   7.519  1.00 66.39 ? 9   GLN A CD  1 
ATOM   84   O OE1 . GLN A 1 9   ? 25.006  -0.785  8.303  1.00 61.43 ? 9   GLN A OE1 1 
ATOM   85   N NE2 . GLN A 1 9   ? 25.651  1.167   7.403  1.00 43.94 ? 9   GLN A NE2 1 
ATOM   86   N N   . LYS A 1 10  ? 20.164  -3.037  5.729  1.00 21.40 ? 10  LYS A N   1 
ATOM   87   C CA  . LYS A 1 10  ? 19.547  -4.291  5.321  1.00 18.56 ? 10  LYS A CA  1 
ATOM   88   C C   . LYS A 1 10  ? 18.419  -4.076  4.319  1.00 23.20 ? 10  LYS A C   1 
ATOM   89   O O   . LYS A 1 10  ? 17.696  -5.026  4.002  1.00 24.73 ? 10  LYS A O   1 
ATOM   90   C CB  . LYS A 1 10  ? 19.025  -5.029  6.559  1.00 29.02 ? 10  LYS A CB  1 
ATOM   91   C CG  . LYS A 1 10  ? 20.110  -5.498  7.515  1.00 35.63 ? 10  LYS A CG  1 
ATOM   92   C CD  . LYS A 1 10  ? 20.995  -6.538  6.871  1.00 59.08 ? 10  LYS A CD  1 
ATOM   93   C CE  . LYS A 1 10  ? 21.307  -7.653  7.844  1.00 71.79 ? 10  LYS A CE  1 
ATOM   94   N NZ  . LYS A 1 10  ? 21.353  -8.968  7.138  1.00 29.15 ? 10  LYS A NZ  1 
ATOM   95   N N   . GLY A 1 11  ? 18.250  -2.851  3.824  1.00 17.62 ? 11  GLY A N   1 
ATOM   96   C CA  . GLY A 1 11  ? 17.199  -2.561  2.867  1.00 17.62 ? 11  GLY A CA  1 
ATOM   97   C C   . GLY A 1 11  ? 15.788  -2.640  3.410  1.00 19.67 ? 11  GLY A C   1 
ATOM   98   O O   . GLY A 1 11  ? 14.863  -2.958  2.655  1.00 22.36 ? 11  GLY A O   1 
ATOM   99   N N   . ALA A 1 12  ? 15.584  -2.320  4.691  1.00 13.63 ? 12  ALA A N   1 
ATOM   100  C CA  . ALA A 1 12  ? 14.290  -2.479  5.343  1.00 13.63 ? 12  ALA A CA  1 
ATOM   101  C C   . ALA A 1 12  ? 13.656  -1.147  5.691  1.00 13.63 ? 12  ALA A C   1 
ATOM   102  O O   . ALA A 1 12  ? 12.676  -1.113  6.441  1.00 14.24 ? 12  ALA A O   1 
ATOM   103  C CB  . ALA A 1 12  ? 14.407  -3.334  6.610  1.00 13.63 ? 12  ALA A CB  1 
ATOM   104  N N   . VAL A 1 13  ? 14.203  -0.045  5.193  1.00 11.92 ? 13  VAL A N   1 
ATOM   105  C CA  . VAL A 1 13  ? 13.718  1.284   5.534  1.00 12.66 ? 13  VAL A CA  1 
ATOM   106  C C   . VAL A 1 13  ? 13.513  2.052   4.244  1.00 11.92 ? 13  VAL A C   1 
ATOM   107  O O   . VAL A 1 13  ? 14.424  2.131   3.415  1.00 11.92 ? 13  VAL A O   1 
ATOM   108  C CB  . VAL A 1 13  ? 14.677  2.033   6.480  1.00 11.92 ? 13  VAL A CB  1 
ATOM   109  C CG1 . VAL A 1 13  ? 14.065  3.342   6.901  1.00 12.42 ? 13  VAL A CG1 1 
ATOM   110  C CG2 . VAL A 1 13  ? 14.951  1.190   7.720  1.00 15.55 ? 13  VAL A CG2 1 
ATOM   111  N N   . THR A 1 14  ? 12.317  2.602   4.070  1.00 14.15 ? 14  THR A N   1 
ATOM   112  C CA  . THR A 1 14  ? 11.998  3.406   2.896  1.00 14.15 ? 14  THR A CA  1 
ATOM   113  C C   . THR A 1 14  ? 12.498  4.823   3.132  1.00 16.56 ? 14  THR A C   1 
ATOM   114  O O   . THR A 1 14  ? 12.926  5.156   4.237  1.00 14.90 ? 14  THR A O   1 
ATOM   115  C CB  . THR A 1 14  ? 10.487  3.357   2.627  1.00 14.15 ? 14  THR A CB  1 
ATOM   116  O OG1 . THR A 1 14  ? 9.766   4.086   3.638  1.00 15.02 ? 14  THR A OG1 1 
ATOM   117  C CG2 . THR A 1 14  ? 9.990   1.921   2.588  1.00 14.56 ? 14  THR A CG2 1 
ATOM   118  N N   . PRO A 1 15  ? 12.461  5.691   2.117  1.00 14.42 ? 15  PRO A N   1 
ATOM   119  C CA  . PRO A 1 15  ? 12.942  7.062   2.330  1.00 13.38 ? 15  PRO A CA  1 
ATOM   120  C C   . PRO A 1 15  ? 12.210  7.746   3.480  1.00 14.73 ? 15  PRO A C   1 
ATOM   121  O O   . PRO A 1 15  ? 11.049  7.456   3.773  1.00 14.04 ? 15  PRO A O   1 
ATOM   122  C CB  . PRO A 1 15  ? 12.651  7.745   0.990  1.00 19.32 ? 15  PRO A CB  1 
ATOM   123  C CG  . PRO A 1 15  ? 12.752  6.648   0.001  1.00 14.76 ? 15  PRO A CG  1 
ATOM   124  C CD  . PRO A 1 15  ? 12.178  5.441   0.685  1.00 13.56 ? 15  PRO A CD  1 
ATOM   125  N N   . VAL A 1 16  ? 12.902  8.700   4.105  1.00 13.88 ? 16  VAL A N   1 
ATOM   126  C CA  . VAL A 1 16  ? 12.319  9.470   5.197  1.00 21.21 ? 16  VAL A CA  1 
ATOM   127  C C   . VAL A 1 16  ? 11.131  10.270  4.685  1.00 16.27 ? 16  VAL A C   1 
ATOM   128  O O   . VAL A 1 16  ? 11.170  10.861  3.598  1.00 16.12 ? 16  VAL A O   1 
ATOM   129  C CB  . VAL A 1 16  ? 13.380  10.396  5.810  1.00 17.16 ? 16  VAL A CB  1 
ATOM   130  C CG1 . VAL A 1 16  ? 12.727  11.487  6.648  1.00 17.52 ? 16  VAL A CG1 1 
ATOM   131  C CG2 . VAL A 1 16  ? 14.366  9.595   6.623  1.00 13.88 ? 16  VAL A CG2 1 
ATOM   132  N N   . LYS A 1 17  ? 10.061  10.294  5.472  1.00 16.73 ? 17  LYS A N   1 
ATOM   133  C CA  . LYS A 1 17  ? 8.841   10.979  5.084  1.00 16.73 ? 17  LYS A CA  1 
ATOM   134  C C   . LYS A 1 17  ? 8.685   12.239  5.926  1.00 16.73 ? 17  LYS A C   1 
ATOM   135  O O   . LYS A 1 17  ? 9.378   12.442  6.925  1.00 16.73 ? 17  LYS A O   1 
ATOM   136  C CB  . LYS A 1 17  ? 7.647   10.035  5.256  1.00 19.96 ? 17  LYS A CB  1 
ATOM   137  C CG  . LYS A 1 17  ? 7.899   8.709   4.569  1.00 22.47 ? 17  LYS A CG  1 
ATOM   138  C CD  . LYS A 1 17  ? 8.275   8.891   3.121  1.00 22.22 ? 17  LYS A CD  1 
ATOM   139  C CE  . LYS A 1 17  ? 8.244   7.562   2.394  1.00 16.73 ? 17  LYS A CE  1 
ATOM   140  N NZ  . LYS A 1 17  ? 7.130   6.706   2.834  1.00 18.59 ? 17  LYS A NZ  1 
ATOM   141  N N   . ASN A 1 18  ? 7.755   13.091  5.510  1.00 17.00 ? 18  ASN A N   1 
ATOM   142  C CA  . ASN A 1 18  ? 7.415   14.303  6.240  1.00 12.55 ? 18  ASN A CA  1 
ATOM   143  C C   . ASN A 1 18  ? 5.923   14.300  6.515  1.00 11.02 ? 18  ASN A C   1 
ATOM   144  O O   . ASN A 1 18  ? 5.116   14.338  5.580  1.00 19.32 ? 18  ASN A O   1 
ATOM   145  C CB  . ASN A 1 18  ? 7.816   15.544  5.442  1.00 12.72 ? 18  ASN A CB  1 
ATOM   146  C CG  . ASN A 1 18  ? 7.628   16.812  6.221  1.00 16.53 ? 18  ASN A CG  1 
ATOM   147  O OD1 . ASN A 1 18  ? 7.198   16.784  7.372  1.00 14.64 ? 18  ASN A OD1 1 
ATOM   148  N ND2 . ASN A 1 18  ? 7.960   17.938  5.610  1.00 23.87 ? 18  ASN A ND2 1 
ATOM   149  N N   . GLN A 1 19  ? 5.549   14.245  7.789  1.00 15.41 ? 19  GLN A N   1 
ATOM   150  C CA  . GLN A 1 19  ? 4.123   14.254  8.072  1.00 15.41 ? 19  GLN A CA  1 
ATOM   151  C C   . GLN A 1 19  ? 3.516   15.636  7.860  1.00 15.48 ? 19  GLN A C   1 
ATOM   152  O O   . GLN A 1 19  ? 2.288   15.757  7.798  1.00 17.84 ? 19  GLN A O   1 
ATOM   153  C CB  . GLN A 1 19  ? 3.857   13.774  9.497  1.00 17.14 ? 19  GLN A CB  1 
ATOM   154  C CG  . GLN A 1 19  ? 4.355   14.734  10.565 1.00 18.20 ? 19  GLN A CG  1 
ATOM   155  C CD  . GLN A 1 19  ? 4.212   14.172  11.969 1.00 17.96 ? 19  GLN A CD  1 
ATOM   156  O OE1 . GLN A 1 19  ? 5.059   13.415  12.439 1.00 20.87 ? 19  GLN A OE1 1 
ATOM   157  N NE2 . GLN A 1 19  ? 3.121   14.517  12.631 1.00 19.25 ? 19  GLN A NE2 1 
ATOM   158  N N   . GLY A 1 20  ? 4.334   16.684  7.787  1.00 15.55 ? 20  GLY A N   1 
ATOM   159  C CA  . GLY A 1 20  ? 3.681   17.959  7.626  1.00 10.40 ? 20  GLY A CA  1 
ATOM   160  C C   . GLY A 1 20  ? 3.009   18.402  8.911  1.00 15.67 ? 20  GLY A C   1 
ATOM   161  O O   . GLY A 1 20  ? 3.300   17.922  10.008 1.00 19.80 ? 20  GLY A O   1 
ATOM   162  N N   . SER A 1 21  ? 2.009   19.265  8.745  1.00 13.57 ? 21  SER A N   1 
ATOM   163  C CA  . SER A 1 21  ? 1.340   19.836  9.905  1.00 20.30 ? 21  SER A CA  1 
ATOM   164  C C   . SER A 1 21  ? 0.405   18.847  10.602 1.00 23.72 ? 21  SER A C   1 
ATOM   165  O O   . SER A 1 21  ? 0.086   19.039  11.781 1.00 45.00 ? 21  SER A O   1 
ATOM   166  C CB  . SER A 1 21  ? 0.543   21.062  9.453  1.00 13.19 ? 21  SER A CB  1 
ATOM   167  O OG  . SER A 1 21  ? 0.389   21.994  10.511 1.00 54.20 ? 21  SER A OG  1 
ATOM   168  N N   . CYS A 1 22  ? 0.004   17.781  9.913  1.00 22.14 ? 22  CYS A N   1 
ATOM   169  C CA  . CYS A 1 22  ? -0.938  16.817  10.464 1.00 19.11 ? 22  CYS A CA  1 
ATOM   170  C C   . CYS A 1 22  ? -0.301  16.051  11.622 1.00 19.45 ? 22  CYS A C   1 
ATOM   171  O O   . CYS A 1 22  ? 0.855   15.628  11.548 1.00 24.26 ? 22  CYS A O   1 
ATOM   172  C CB  . CYS A 1 22  ? -1.388  15.869  9.349  1.00 28.64 ? 22  CYS A CB  1 
ATOM   173  S SG  . CYS A 1 22  ? -2.449  14.476  9.805  1.00 24.58 ? 22  CYS A SG  1 
ATOM   174  N N   . GLY A 1 23  ? -1.055  15.876  12.702 1.00 18.34 ? 23  GLY A N   1 
ATOM   175  C CA  . GLY A 1 23  ? -0.552  15.093  13.815 1.00 22.88 ? 23  GLY A CA  1 
ATOM   176  C C   . GLY A 1 23  ? -0.664  13.603  13.561 1.00 18.34 ? 23  GLY A C   1 
ATOM   177  O O   . GLY A 1 23  ? -1.320  12.874  14.315 1.00 21.04 ? 23  GLY A O   1 
ATOM   178  N N   . SER A 1 24  ? 0.008   13.132  12.512 1.00 15.14 ? 24  SER A N   1 
ATOM   179  C CA  . SER A 1 24  ? -0.093  11.750  12.061 1.00 13.36 ? 24  SER A CA  1 
ATOM   180  C C   . SER A 1 24  ? 1.149   10.921  12.363 1.00 13.36 ? 24  SER A C   1 
ATOM   181  O O   . SER A 1 24  ? 1.343   9.872   11.744 1.00 16.64 ? 24  SER A O   1 
ATOM   182  C CB  . SER A 1 24  ? -0.388  11.723  10.559 1.00 16.47 ? 24  SER A CB  1 
ATOM   183  O OG  . SER A 1 24  ? 0.538   12.528  9.848  1.00 13.98 ? 24  SER A OG  1 
ATOM   184  N N   . CYS A 1 25  ? 1.983   11.353  13.311 1.00 11.97 ? 25  CYS A N   1 
ATOM   185  C CA  . CYS A 1 25  ? 3.217   10.617  13.607 1.00 11.97 ? 25  CYS A CA  1 
ATOM   186  C C   . CYS A 1 25  ? 2.940   9.150   13.906 1.00 11.97 ? 25  CYS A C   1 
ATOM   187  O O   . CYS A 1 25  ? 3.745   8.280   13.563 1.00 14.99 ? 25  CYS A O   1 
ATOM   188  C CB  . CYS A 1 25  ? 3.944   11.251  14.792 1.00 33.40 ? 25  CYS A CB  1 
ATOM   189  S SG  . CYS A 1 25  ? 2.848   11.559  16.167 1.00 33.40 ? 25  CYS A SG  1 
ATOM   190  N N   . TRP A 1 26  ? 1.813   8.864   14.572 1.00 16.92 ? 26  TRP A N   1 
ATOM   191  C CA  . TRP A 1 26  ? 1.502   7.499   14.983 1.00 16.92 ? 26  TRP A CA  1 
ATOM   192  C C   . TRP A 1 26  ? 1.353   6.576   13.785 1.00 17.04 ? 26  TRP A C   1 
ATOM   193  O O   . TRP A 1 26  ? 1.870   5.450   13.784 1.00 16.92 ? 26  TRP A O   1 
ATOM   194  C CB  . TRP A 1 26  ? 0.217   7.512   15.810 1.00 16.92 ? 26  TRP A CB  1 
ATOM   195  C CG  . TRP A 1 26  ? -0.936  8.172   15.084 1.00 16.92 ? 26  TRP A CG  1 
ATOM   196  C CD1 . TRP A 1 26  ? -1.219  9.507   15.049 1.00 16.92 ? 26  TRP A CD1 1 
ATOM   197  C CD2 . TRP A 1 26  ? -1.955  7.529   14.286 1.00 16.92 ? 26  TRP A CD2 1 
ATOM   198  N NE1 . TRP A 1 26  ? -2.346  9.738   14.285 1.00 16.92 ? 26  TRP A NE1 1 
ATOM   199  C CE2 . TRP A 1 26  ? -2.820  8.542   13.813 1.00 17.18 ? 26  TRP A CE2 1 
ATOM   200  C CE3 . TRP A 1 26  ? -2.220  6.198   13.931 1.00 19.65 ? 26  TRP A CE3 1 
ATOM   201  C CZ2 . TRP A 1 26  ? -3.927  8.268   13.001 1.00 16.92 ? 26  TRP A CZ2 1 
ATOM   202  C CZ3 . TRP A 1 26  ? -3.328  5.931   13.120 1.00 16.92 ? 26  TRP A CZ3 1 
ATOM   203  C CH2 . TRP A 1 26  ? -4.159  6.965   12.663 1.00 16.92 ? 26  TRP A CH2 1 
ATOM   204  N N   . ALA A 1 27  ? 0.782   7.093   12.703 1.00 16.73 ? 27  ALA A N   1 
ATOM   205  C CA  . ALA A 1 27  ? 0.634   6.309   11.488 1.00 16.73 ? 27  ALA A CA  1 
ATOM   206  C C   . ALA A 1 27  ? 1.959   6.165   10.750 1.00 16.73 ? 27  ALA A C   1 
ATOM   207  O O   . ALA A 1 27  ? 2.250   5.100   10.201 1.00 16.73 ? 27  ALA A O   1 
ATOM   208  C CB  . ALA A 1 27  ? -0.434  6.949   10.585 1.00 16.73 ? 27  ALA A CB  1 
ATOM   209  N N   . PHE A 1 28  ? 2.775   7.215   10.728 1.00 13.73 ? 28  PHE A N   1 
ATOM   210  C CA  . PHE A 1 28  ? 4.080   7.106   10.088 1.00 13.73 ? 28  PHE A CA  1 
ATOM   211  C C   . PHE A 1 28  ? 4.941   6.080   10.814 1.00 17.07 ? 28  PHE A C   1 
ATOM   212  O O   . PHE A 1 28  ? 5.631   5.267   10.191 1.00 15.88 ? 28  PHE A O   1 
ATOM   213  C CB  . PHE A 1 28  ? 4.734   8.483   10.064 1.00 13.73 ? 28  PHE A CB  1 
ATOM   214  C CG  . PHE A 1 28  ? 4.196   9.358   8.989  1.00 24.59 ? 28  PHE A CG  1 
ATOM   215  C CD1 . PHE A 1 28  ? 3.004   10.042  9.191  1.00 17.31 ? 28  PHE A CD1 1 
ATOM   216  C CD2 . PHE A 1 28  ? 4.843   9.476   7.771  1.00 17.42 ? 28  PHE A CD2 1 
ATOM   217  C CE1 . PHE A 1 28  ? 2.469   10.850  8.198  1.00 13.73 ? 28  PHE A CE1 1 
ATOM   218  C CE2 . PHE A 1 28  ? 4.323   10.288  6.764  1.00 22.41 ? 28  PHE A CE2 1 
ATOM   219  C CZ  . PHE A 1 28  ? 3.135   10.982  6.982  1.00 13.73 ? 28  PHE A CZ  1 
ATOM   220  N N   . SER A 1 29  ? 4.967   6.155   12.143 1.00 12.89 ? 29  SER A N   1 
ATOM   221  C CA  . SER A 1 29  ? 5.695   5.185   12.957 1.00 12.89 ? 29  SER A CA  1 
ATOM   222  C C   . SER A 1 29  ? 5.227   3.757   12.659 1.00 18.09 ? 29  SER A C   1 
ATOM   223  O O   . SER A 1 29  ? 6.040   2.861   12.348 1.00 12.89 ? 29  SER A O   1 
ATOM   224  C CB  . SER A 1 29  ? 5.510   5.552   14.431 1.00 13.87 ? 29  SER A CB  1 
ATOM   225  O OG  . SER A 1 29  ? 6.038   4.565   15.281 1.00 22.80 ? 29  SER A OG  1 
ATOM   226  N N   . ALA A 1 30  ? 3.904   3.535   12.700 1.00 13.83 ? 30  ALA A N   1 
ATOM   227  C CA  . ALA A 1 30  ? 3.386   2.204   12.404 1.00 14.11 ? 30  ALA A CA  1 
ATOM   228  C C   . ALA A 1 30  ? 3.818   1.754   11.015 1.00 18.14 ? 30  ALA A C   1 
ATOM   229  O O   . ALA A 1 30  ? 4.273   0.618   10.829 1.00 13.83 ? 30  ALA A O   1 
ATOM   230  C CB  . ALA A 1 30  ? 1.858   2.206   12.512 1.00 13.83 ? 30  ALA A CB  1 
ATOM   231  N N   . VAL A 1 31  ? 3.689   2.640   10.028 1.00 14.81 ? 31  VAL A N   1 
ATOM   232  C CA  . VAL A 1 31  ? 4.031   2.282   8.662  1.00 17.59 ? 31  VAL A CA  1 
ATOM   233  C C   . VAL A 1 31  ? 5.504   1.938   8.530  1.00 14.81 ? 31  VAL A C   1 
ATOM   234  O O   . VAL A 1 31  ? 5.867   1.037   7.765  1.00 14.81 ? 31  VAL A O   1 
ATOM   235  C CB  . VAL A 1 31  ? 3.630   3.408   7.705  1.00 14.81 ? 31  VAL A CB  1 
ATOM   236  C CG1 . VAL A 1 31  ? 4.342   3.229   6.375  1.00 14.81 ? 31  VAL A CG1 1 
ATOM   237  C CG2 . VAL A 1 31  ? 2.130   3.366   7.505  1.00 14.81 ? 31  VAL A CG2 1 
ATOM   238  N N   . VAL A 1 32  ? 6.388   2.676   9.218  1.00 16.35 ? 32  VAL A N   1 
ATOM   239  C CA  . VAL A 1 32  ? 7.807   2.322   9.144  1.00 16.35 ? 32  VAL A CA  1 
ATOM   240  C C   . VAL A 1 32  ? 7.988   0.887   9.585  1.00 16.35 ? 32  VAL A C   1 
ATOM   241  O O   . VAL A 1 32  ? 8.690   0.099   8.931  1.00 17.12 ? 32  VAL A O   1 
ATOM   242  C CB  . VAL A 1 32  ? 8.688   3.271   9.975  1.00 19.89 ? 32  VAL A CB  1 
ATOM   243  C CG1 . VAL A 1 32  ? 10.129  2.784   9.916  1.00 22.15 ? 32  VAL A CG1 1 
ATOM   244  C CG2 . VAL A 1 32  ? 8.612   4.689   9.454  1.00 17.12 ? 32  VAL A CG2 1 
ATOM   245  N N   . THR A 1 33  ? 7.302   0.503   10.671 1.00 14.86 ? 33  THR A N   1 
ATOM   246  C CA  . THR A 1 33  ? 7.474   -0.868  11.155 1.00 14.86 ? 33  THR A CA  1 
ATOM   247  C C   . THR A 1 33  ? 6.845   -1.883  10.200 1.00 19.07 ? 33  THR A C   1 
ATOM   248  O O   . THR A 1 33  ? 7.363   -2.995  10.047 1.00 14.86 ? 33  THR A O   1 
ATOM   249  C CB  . THR A 1 33  ? 6.879   -1.023  12.553 1.00 14.86 ? 33  THR A CB  1 
ATOM   250  O OG1 . THR A 1 33  ? 5.448   -0.968  12.467 1.00 15.39 ? 33  THR A OG1 1 
ATOM   251  C CG2 . THR A 1 33  ? 7.370   0.079   13.458 1.00 14.86 ? 33  THR A CG2 1 
ATOM   252  N N   . ILE A 1 34  ? 5.778   -1.501  9.501  1.00 18.21 ? 34  ILE A N   1 
ATOM   253  C CA  . ILE A 1 34  ? 5.170   -2.422  8.541  1.00 18.21 ? 34  ILE A CA  1 
ATOM   254  C C   . ILE A 1 34  ? 6.074   -2.605  7.328  1.00 18.21 ? 34  ILE A C   1 
ATOM   255  O O   . ILE A 1 34  ? 6.304   -3.733  6.876  1.00 18.21 ? 34  ILE A O   1 
ATOM   256  C CB  . ILE A 1 34  ? 3.760   -1.943  8.143  1.00 18.21 ? 34  ILE A CB  1 
ATOM   257  C CG1 . ILE A 1 34  ? 2.849   -1.899  9.376  1.00 18.37 ? 34  ILE A CG1 1 
ATOM   258  C CG2 . ILE A 1 34  ? 3.166   -2.814  7.032  1.00 18.21 ? 34  ILE A CG2 1 
ATOM   259  C CD1 . ILE A 1 34  ? 1.814   -0.813  9.310  1.00 44.84 ? 34  ILE A CD1 1 
ATOM   260  N N   . GLU A 1 35  ? 6.574   -1.504  6.768  1.00 21.20 ? 35  GLU A N   1 
ATOM   261  C CA  . GLU A 1 35  ? 7.527   -1.586  5.666  1.00 21.20 ? 35  GLU A CA  1 
ATOM   262  C C   . GLU A 1 35  ? 8.709   -2.464  6.052  1.00 21.20 ? 35  GLU A C   1 
ATOM   263  O O   . GLU A 1 35  ? 9.133   -3.340  5.279  1.00 23.78 ? 35  GLU A O   1 
ATOM   264  C CB  . GLU A 1 35  ? 8.015   -0.182  5.306  1.00 21.20 ? 35  GLU A CB  1 
ATOM   265  C CG  . GLU A 1 35  ? 6.941   0.731   4.763  1.00 21.20 ? 35  GLU A CG  1 
ATOM   266  C CD  . GLU A 1 35  ? 7.388   2.193   4.688  1.00 21.20 ? 35  GLU A CD  1 
ATOM   267  O OE1 . GLU A 1 35  ? 8.400   2.558   5.336  1.00 21.91 ? 35  GLU A OE1 1 
ATOM   268  O OE2 . GLU A 1 35  ? 6.740   2.967   3.939  1.00 21.62 ? 35  GLU A OE2 1 
ATOM   269  N N   . GLY A 1 36  ? 9.172   -2.322  7.297  1.00 18.27 ? 36  GLY A N   1 
ATOM   270  C CA  . GLY A 1 36  ? 10.319  -3.092  7.731  1.00 18.27 ? 36  GLY A CA  1 
ATOM   271  C C   . GLY A 1 36  ? 10.009  -4.570  7.828  1.00 18.27 ? 36  GLY A C   1 
ATOM   272  O O   . GLY A 1 36  ? 10.778  -5.402  7.336  1.00 18.27 ? 36  GLY A O   1 
ATOM   273  N N   . ILE A 1 37  ? 8.903   -4.926  8.492  1.00 24.46 ? 37  ILE A N   1 
ATOM   274  C CA  . ILE A 1 37  ? 8.631   -6.348  8.674  1.00 24.46 ? 37  ILE A CA  1 
ATOM   275  C C   . ILE A 1 37  ? 8.278   -7.007  7.347  1.00 24.46 ? 37  ILE A C   1 
ATOM   276  O O   . ILE A 1 37  ? 8.617   -8.178  7.130  1.00 24.46 ? 37  ILE A O   1 
ATOM   277  C CB  . ILE A 1 37  ? 7.536   -6.591  9.735  1.00 25.51 ? 37  ILE A CB  1 
ATOM   278  C CG1 . ILE A 1 37  ? 7.587   -8.040  10.212 1.00 24.46 ? 37  ILE A CG1 1 
ATOM   279  C CG2 . ILE A 1 37  ? 6.155   -6.281  9.205  1.00 24.46 ? 37  ILE A CG2 1 
ATOM   280  C CD1 . ILE A 1 37  ? 8.908   -8.433  10.808 1.00 26.92 ? 37  ILE A CD1 1 
ATOM   281  N N   . ILE A 1 38  ? 7.660   -6.275  6.411  1.00 20.55 ? 38  ILE A N   1 
ATOM   282  C CA  . ILE A 1 38  ? 7.378   -6.887  5.116  1.00 27.69 ? 38  ILE A CA  1 
ATOM   283  C C   . ILE A 1 38  ? 8.676   -7.140  4.362  1.00 25.93 ? 38  ILE A C   1 
ATOM   284  O O   . ILE A 1 38  ? 8.834   -8.178  3.710  1.00 24.67 ? 38  ILE A O   1 
ATOM   285  C CB  . ILE A 1 38  ? 6.394   -6.032  4.294  1.00 21.74 ? 38  ILE A CB  1 
ATOM   286  C CG1 . ILE A 1 38  ? 5.018   -6.003  4.959  1.00 25.76 ? 38  ILE A CG1 1 
ATOM   287  C CG2 . ILE A 1 38  ? 6.246   -6.583  2.889  1.00 20.55 ? 38  ILE A CG2 1 
ATOM   288  C CD1 . ILE A 1 38  ? 4.459   -7.379  5.214  1.00 23.43 ? 38  ILE A CD1 1 
ATOM   289  N N   . LYS A 1 39  ? 9.633   -6.214  4.444  1.00 25.99 ? 39  LYS A N   1 
ATOM   290  C CA  . LYS A 1 39  ? 10.927  -6.470  3.811  1.00 23.82 ? 39  LYS A CA  1 
ATOM   291  C C   . LYS A 1 39  ? 11.643  -7.649  4.461  1.00 24.03 ? 39  LYS A C   1 
ATOM   292  O O   . LYS A 1 39  ? 12.185  -8.519  3.769  1.00 23.82 ? 39  LYS A O   1 
ATOM   293  C CB  . LYS A 1 39  ? 11.814  -5.231  3.885  1.00 23.82 ? 39  LYS A CB  1 
ATOM   294  C CG  . LYS A 1 39  ? 13.269  -5.488  3.521  1.00 23.94 ? 39  LYS A CG  1 
ATOM   295  C CD  . LYS A 1 39  ? 13.395  -5.836  2.044  1.00 32.01 ? 39  LYS A CD  1 
ATOM   296  C CE  . LYS A 1 39  ? 14.851  -6.071  1.643  1.00 28.85 ? 39  LYS A CE  1 
ATOM   297  N NZ  . LYS A 1 39  ? 15.276  -7.499  1.777  1.00 23.82 ? 39  LYS A NZ  1 
ATOM   298  N N   . ILE A 1 40  ? 11.648  -7.690  5.794  1.00 24.22 ? 40  ILE A N   1 
ATOM   299  C CA  . ILE A 1 40  ? 12.325  -8.759  6.527  1.00 24.22 ? 40  ILE A CA  1 
ATOM   300  C C   . ILE A 1 40  ? 11.745  -10.125 6.170  1.00 25.37 ? 40  ILE A C   1 
ATOM   301  O O   . ILE A 1 40  ? 12.487  -11.096 5.964  1.00 27.46 ? 40  ILE A O   1 
ATOM   302  C CB  . ILE A 1 40  ? 12.251  -8.473  8.041  1.00 24.22 ? 40  ILE A CB  1 
ATOM   303  C CG1 . ILE A 1 40  ? 13.190  -7.331  8.410  1.00 29.87 ? 40  ILE A CG1 1 
ATOM   304  C CG2 . ILE A 1 40  ? 12.610  -9.692  8.866  1.00 27.79 ? 40  ILE A CG2 1 
ATOM   305  C CD1 . ILE A 1 40  ? 12.845  -6.697  9.729  1.00 26.66 ? 40  ILE A CD1 1 
ATOM   306  N N   . ARG A 1 41  ? 10.413  -10.218 6.070  1.00 20.41 ? 41  ARG A N   1 
ATOM   307  C CA  . ARG A 1 41  ? 9.761   -11.499 5.827  1.00 19.42 ? 41  ARG A CA  1 
ATOM   308  C C   . ARG A 1 41  ? 9.705   -11.880 4.351  1.00 29.20 ? 41  ARG A C   1 
ATOM   309  O O   . ARG A 1 41  ? 9.703   -13.075 4.036  1.00 29.83 ? 41  ARG A O   1 
ATOM   310  C CB  . ARG A 1 41  ? 8.357   -11.483 6.418  1.00 17.95 ? 41  ARG A CB  1 
ATOM   311  C CG  . ARG A 1 41  ? 8.390   -11.428 7.926  1.00 28.08 ? 41  ARG A CG  1 
ATOM   312  C CD  . ARG A 1 41  ? 8.850   -12.739 8.528  1.00 33.69 ? 41  ARG A CD  1 
ATOM   313  N NE  . ARG A 1 41  ? 8.911   -12.630 9.979  1.00 36.43 ? 41  ARG A NE  1 
ATOM   314  C CZ  . ARG A 1 41  ? 10.019  -12.377 10.660 1.00 45.46 ? 41  ARG A CZ  1 
ATOM   315  N NH1 . ARG A 1 41  ? 11.189  -12.273 10.057 1.00 48.45 ? 41  ARG A NH1 1 
ATOM   316  N NH2 . ARG A 1 41  ? 9.952   -12.231 11.981 1.00 50.01 ? 41  ARG A NH2 1 
ATOM   317  N N   . THR A 1 42  ? 9.633   -10.922 3.433  1.00 30.87 ? 42  THR A N   1 
ATOM   318  C CA  . THR A 1 42  ? 9.402   -11.263 2.039  1.00 21.66 ? 42  THR A CA  1 
ATOM   319  C C   . THR A 1 42  ? 10.546  -10.892 1.109  1.00 20.42 ? 42  THR A C   1 
ATOM   320  O O   . THR A 1 42  ? 10.572  -11.374 -0.029 1.00 26.97 ? 42  THR A O   1 
ATOM   321  C CB  . THR A 1 42  ? 8.122   -10.589 1.515  1.00 20.42 ? 42  THR A CB  1 
ATOM   322  O OG1 . THR A 1 42  ? 8.380   -9.198  1.260  1.00 21.24 ? 42  THR A OG1 1 
ATOM   323  C CG2 . THR A 1 42  ? 6.987   -10.716 2.522  1.00 24.32 ? 42  THR A CG2 1 
ATOM   324  N N   . GLY A 1 43  ? 11.481  -10.059 1.544  1.00 20.25 ? 43  GLY A N   1 
ATOM   325  C CA  . GLY A 1 43  ? 12.571  -9.652  0.697  1.00 22.14 ? 43  GLY A CA  1 
ATOM   326  C C   . GLY A 1 43  ? 12.308  -8.420  -0.137 1.00 20.25 ? 43  GLY A C   1 
ATOM   327  O O   . GLY A 1 43  ? 13.237  -7.933  -0.800 1.00 21.56 ? 43  GLY A O   1 
ATOM   328  N N   . ASN A 1 44  ? 11.089  -7.885  -0.119 1.00 22.54 ? 44  ASN A N   1 
ATOM   329  C CA  . ASN A 1 44  ? 10.724  -6.723  -0.923 1.00 21.39 ? 44  ASN A CA  1 
ATOM   330  C C   . ASN A 1 44  ? 10.481  -5.533  -0.009 1.00 25.13 ? 44  ASN A C   1 
ATOM   331  O O   . ASN A 1 44  ? 9.778   -5.647  0.997  1.00 21.24 ? 44  ASN A O   1 
ATOM   332  C CB  . ASN A 1 44  ? 9.495   -6.986  -1.803 1.00 28.36 ? 44  ASN A CB  1 
ATOM   333  C CG  . ASN A 1 44  ? 9.668   -8.197  -2.706 1.00 29.55 ? 44  ASN A CG  1 
ATOM   334  O OD1 . ASN A 1 44  ? 10.700  -8.362  -3.353 1.00 31.74 ? 44  ASN A OD1 1 
ATOM   335  N ND2 . ASN A 1 44  ? 8.637   -9.025  -2.786 1.00 23.94 ? 44  ASN A ND2 1 
ATOM   336  N N   . LEU A 1 45  ? 11.067  -4.397  -0.366 1.00 14.72 ? 45  LEU A N   1 
ATOM   337  C CA  . LEU A 1 45  ? 10.830  -3.137  0.319  1.00 18.10 ? 45  LEU A CA  1 
ATOM   338  C C   . LEU A 1 45  ? 9.764   -2.347  -0.424 1.00 19.14 ? 45  LEU A C   1 
ATOM   339  O O   . LEU A 1 45  ? 9.954   -1.982  -1.590 1.00 18.80 ? 45  LEU A O   1 
ATOM   340  C CB  . LEU A 1 45  ? 12.112  -2.320  0.415  1.00 17.92 ? 45  LEU A CB  1 
ATOM   341  C CG  . LEU A 1 45  ? 11.961  -1.032  1.227  1.00 16.10 ? 45  LEU A CG  1 
ATOM   342  C CD1 . LEU A 1 45  ? 11.603  -1.343  2.702  1.00 17.51 ? 45  LEU A CD1 1 
ATOM   343  C CD2 . LEU A 1 45  ? 13.218  -0.152  1.111  1.00 24.72 ? 45  LEU A CD2 1 
ATOM   344  N N   . ASN A 1 46  ? 8.638   -2.104  0.241  1.00 17.85 ? 46  ASN A N   1 
ATOM   345  C CA  . ASN A 1 46  ? 7.558   -1.315  -0.326 1.00 17.85 ? 46  ASN A CA  1 
ATOM   346  C C   . ASN A 1 46  ? 7.200   -0.182  0.612  1.00 19.28 ? 46  ASN A C   1 
ATOM   347  O O   . ASN A 1 46  ? 7.508   -0.214  1.805  1.00 20.47 ? 46  ASN A O   1 
ATOM   348  C CB  . ASN A 1 46  ? 6.310   -2.154  -0.576 1.00 18.30 ? 46  ASN A CB  1 
ATOM   349  C CG  . ASN A 1 46  ? 6.617   -3.416  -1.317 1.00 20.80 ? 46  ASN A CG  1 
ATOM   350  O OD1 . ASN A 1 46  ? 6.534   -4.515  -0.765 1.00 29.05 ? 46  ASN A OD1 1 
ATOM   351  N ND2 . ASN A 1 46  ? 6.969   -3.271  -2.592 1.00 18.71 ? 46  ASN A ND2 1 
ATOM   352  N N   . GLU A 1 47  ? 6.557   0.835   0.054  1.00 18.61 ? 47  GLU A N   1 
ATOM   353  C CA  . GLU A 1 47  ? 5.981   1.884   0.874  1.00 17.69 ? 47  GLU A CA  1 
ATOM   354  C C   . GLU A 1 47  ? 4.504   1.616   1.043  1.00 17.69 ? 47  GLU A C   1 
ATOM   355  O O   . GLU A 1 47  ? 3.813   1.255   0.086  1.00 18.56 ? 47  GLU A O   1 
ATOM   356  C CB  . GLU A 1 47  ? 6.186   3.303   0.333  1.00 30.86 ? 47  GLU A CB  1 
ATOM   357  C CG  . GLU A 1 47  ? 7.591   3.815   0.470  1.00 30.86 ? 47  GLU A CG  1 
ATOM   358  C CD  . GLU A 1 47  ? 8.149   4.469   -0.766 1.00 30.86 ? 47  GLU A CD  1 
ATOM   359  O OE1 . GLU A 1 47  ? 8.672   5.606   -0.622 1.00 30.86 ? 47  GLU A OE1 1 
ATOM   360  O OE2 . GLU A 1 47  ? 8.075   3.866   -1.864 1.00 30.86 ? 47  GLU A OE2 1 
ATOM   361  N N   . TYR A 1 48  ? 4.031   1.786   2.272  1.00 19.17 ? 48  TYR A N   1 
ATOM   362  C CA  . TYR A 1 48  ? 2.639   1.546   2.597  1.00 16.45 ? 48  TYR A CA  1 
ATOM   363  C C   . TYR A 1 48  ? 2.001   2.849   3.039  1.00 15.37 ? 48  TYR A C   1 
ATOM   364  O O   . TYR A 1 48  ? 2.670   3.866   3.223  1.00 15.37 ? 48  TYR A O   1 
ATOM   365  C CB  . TYR A 1 48  ? 2.511   0.436   3.640  1.00 15.68 ? 48  TYR A CB  1 
ATOM   366  C CG  . TYR A 1 48  ? 2.993   -0.872  3.063  1.00 15.37 ? 48  TYR A CG  1 
ATOM   367  C CD1 . TYR A 1 48  ? 2.228   -1.558  2.123  1.00 15.91 ? 48  TYR A CD1 1 
ATOM   368  C CD2 . TYR A 1 48  ? 4.238   -1.384  3.393  1.00 15.37 ? 48  TYR A CD2 1 
ATOM   369  C CE1 . TYR A 1 48  ? 2.671   -2.745  1.569  1.00 19.74 ? 48  TYR A CE1 1 
ATOM   370  C CE2 . TYR A 1 48  ? 4.689   -2.565  2.840  1.00 21.37 ? 48  TYR A CE2 1 
ATOM   371  C CZ  . TYR A 1 48  ? 3.905   -3.240  1.929  1.00 21.29 ? 48  TYR A CZ  1 
ATOM   372  O OH  . TYR A 1 48  ? 4.355   -4.416  1.372  1.00 18.84 ? 48  TYR A OH  1 
ATOM   373  N N   . SER A 1 49  ? 0.687   2.814   3.179  1.00 18.65 ? 49  SER A N   1 
ATOM   374  C CA  . SER A 1 49  ? -0.095  4.037   3.236  1.00 17.12 ? 49  SER A CA  1 
ATOM   375  C C   . SER A 1 49  ? -0.258  4.509   4.680  1.00 17.12 ? 49  SER A C   1 
ATOM   376  O O   . SER A 1 49  ? -1.049  3.946   5.444  1.00 18.94 ? 49  SER A O   1 
ATOM   377  C CB  . SER A 1 49  ? -1.453  3.811   2.580  1.00 17.12 ? 49  SER A CB  1 
ATOM   378  O OG  . SER A 1 49  ? -2.233  4.988   2.662  1.00 18.08 ? 49  SER A OG  1 
ATOM   379  N N   . GLU A 1 50  ? 0.438   5.594   5.028  1.00 17.56 ? 50  GLU A N   1 
ATOM   380  C CA  . GLU A 1 50  ? 0.125   6.307   6.260  1.00 22.28 ? 50  GLU A CA  1 
ATOM   381  C C   . GLU A 1 50  ? -1.276  6.889   6.193  1.00 17.42 ? 50  GLU A C   1 
ATOM   382  O O   . GLU A 1 50  ? -2.005  6.902   7.194  1.00 17.42 ? 50  GLU A O   1 
ATOM   383  C CB  . GLU A 1 50  ? 1.170   7.392   6.528  1.00 17.42 ? 50  GLU A CB  1 
ATOM   384  C CG  . GLU A 1 50  ? 2.582   6.821   6.710  1.00 21.13 ? 50  GLU A CG  1 
ATOM   385  C CD  . GLU A 1 50  ? 3.415   6.754   5.417  1.00 26.75 ? 50  GLU A CD  1 
ATOM   386  O OE1 . GLU A 1 50  ? 4.659   6.670   5.525  1.00 21.10 ? 50  GLU A OE1 1 
ATOM   387  O OE2 . GLU A 1 50  ? 2.856   6.834   4.297  1.00 19.64 ? 50  GLU A OE2 1 
ATOM   388  N N   . GLN A 1 51  ? -1.671  7.368   5.012  1.00 17.55 ? 51  GLN A N   1 
ATOM   389  C CA  . GLN A 1 51  ? -2.977  7.996   4.856  1.00 18.15 ? 51  GLN A CA  1 
ATOM   390  C C   . GLN A 1 51  ? -4.091  7.008   5.185  1.00 19.89 ? 51  GLN A C   1 
ATOM   391  O O   . GLN A 1 51  ? -5.119  7.385   5.760  1.00 17.06 ? 51  GLN A O   1 
ATOM   392  C CB  . GLN A 1 51  ? -3.148  8.520   3.433  1.00 17.66 ? 51  GLN A CB  1 
ATOM   393  C CG  . GLN A 1 51  ? -4.434  9.267   3.242  1.00 17.06 ? 51  GLN A CG  1 
ATOM   394  C CD  . GLN A 1 51  ? -4.366  10.603  3.932  1.00 17.06 ? 51  GLN A CD  1 
ATOM   395  O OE1 . GLN A 1 51  ? -3.311  11.244  3.943  1.00 17.33 ? 51  GLN A OE1 1 
ATOM   396  N NE2 . GLN A 1 51  ? -5.469  11.015  4.553  1.00 17.06 ? 51  GLN A NE2 1 
ATOM   397  N N   . GLU A 1 52  ? -3.914  5.744   4.793  1.00 20.21 ? 52  GLU A N   1 
ATOM   398  C CA  . GLU A 1 52  ? -4.919  4.734   5.085  1.00 20.45 ? 52  GLU A CA  1 
ATOM   399  C C   . GLU A 1 52  ? -5.131  4.587   6.583  1.00 16.60 ? 52  GLU A C   1 
ATOM   400  O O   . GLU A 1 52  ? -6.268  4.457   7.041  1.00 18.31 ? 52  GLU A O   1 
ATOM   401  C CB  . GLU A 1 52  ? -4.515  3.406   4.462  1.00 17.61 ? 52  GLU A CB  1 
ATOM   402  C CG  . GLU A 1 52  ? -5.548  2.321   4.600  1.00 28.48 ? 52  GLU A CG  1 
ATOM   403  C CD  . GLU A 1 52  ? -5.242  1.168   3.684  1.00 17.96 ? 52  GLU A CD  1 
ATOM   404  O OE1 . GLU A 1 52  ? -6.185  0.586   3.105  1.00 26.87 ? 52  GLU A OE1 1 
ATOM   405  O OE2 . GLU A 1 52  ? -4.044  0.866   3.509  1.00 24.88 ? 52  GLU A OE2 1 
ATOM   406  N N   . LEU A 1 53  ? -4.050  4.568   7.361  1.00 16.42 ? 53  LEU A N   1 
ATOM   407  C CA  . LEU A 1 53  ? -4.211  4.467   8.803  1.00 16.42 ? 53  LEU A CA  1 
ATOM   408  C C   . LEU A 1 53  ? -4.852  5.726   9.344  1.00 16.42 ? 53  LEU A C   1 
ATOM   409  O O   . LEU A 1 53  ? -5.728  5.665   10.214 1.00 22.28 ? 53  LEU A O   1 
ATOM   410  C CB  . LEU A 1 53  ? -2.863  4.234   9.468  1.00 17.01 ? 53  LEU A CB  1 
ATOM   411  C CG  . LEU A 1 53  ? -2.109  3.020   8.934  1.00 18.45 ? 53  LEU A CG  1 
ATOM   412  C CD1 . LEU A 1 53  ? -0.772  2.877   9.660  1.00 21.82 ? 53  LEU A CD1 1 
ATOM   413  C CD2 . LEU A 1 53  ? -2.974  1.765   9.109  1.00 24.94 ? 53  LEU A CD2 1 
ATOM   414  N N   . LEU A 1 54  ? -4.431  6.877   8.823  1.00 16.87 ? 54  LEU A N   1 
ATOM   415  C CA  . LEU A 1 54  ? -5.029  8.144   9.218  1.00 26.94 ? 54  LEU A CA  1 
ATOM   416  C C   . LEU A 1 54  ? -6.538  8.125   9.016  1.00 15.78 ? 54  LEU A C   1 
ATOM   417  O O   . LEU A 1 54  ? -7.302  8.548   9.889  1.00 24.06 ? 54  LEU A O   1 
ATOM   418  C CB  . LEU A 1 54  ? -4.419  9.265   8.386  1.00 23.98 ? 54  LEU A CB  1 
ATOM   419  C CG  . LEU A 1 54  ? -3.510  10.267  9.059  1.00 32.41 ? 54  LEU A CG  1 
ATOM   420  C CD1 . LEU A 1 54  ? -3.132  11.359  8.072  1.00 22.99 ? 54  LEU A CD1 1 
ATOM   421  C CD2 . LEU A 1 54  ? -4.254  10.842  10.209 1.00 23.36 ? 54  LEU A CD2 1 
ATOM   422  N N   . ASP A 1 55  ? -6.983  7.635   7.856  1.00 15.16 ? 55  ASP A N   1 
ATOM   423  C CA  . ASP A 1 55  ? -8.402  7.649   7.528  1.00 19.61 ? 55  ASP A CA  1 
ATOM   424  C C   . ASP A 1 55  ? -9.176  6.560   8.250  1.00 31.70 ? 55  ASP A C   1 
ATOM   425  O O   . ASP A 1 55  ? -10.323 6.773   8.654  1.00 25.21 ? 55  ASP A O   1 
ATOM   426  C CB  . ASP A 1 55  ? -8.584  7.471   6.020  1.00 18.95 ? 55  ASP A CB  1 
ATOM   427  C CG  . ASP A 1 55  ? -8.023  8.622   5.217  1.00 21.93 ? 55  ASP A CG  1 
ATOM   428  O OD1 . ASP A 1 55  ? -7.787  9.701   5.798  1.00 20.77 ? 55  ASP A OD1 1 
ATOM   429  O OD2 . ASP A 1 55  ? -7.838  8.453   3.991  1.00 15.67 ? 55  ASP A OD2 1 
ATOM   430  N N   . CYS A 1 56  ? -8.575  5.389   8.397  1.00 20.68 ? 56  CYS A N   1 
ATOM   431  C CA  . CYS A 1 56  ? -9.314  4.181   8.711  1.00 22.89 ? 56  CYS A CA  1 
ATOM   432  C C   . CYS A 1 56  ? -9.127  3.687   10.130 1.00 20.91 ? 56  CYS A C   1 
ATOM   433  O O   . CYS A 1 56  ? -9.932  2.869   10.587 1.00 25.09 ? 56  CYS A O   1 
ATOM   434  C CB  . CYS A 1 56  ? -8.925  3.058   7.743  1.00 26.72 ? 56  CYS A CB  1 
ATOM   435  S SG  . CYS A 1 56  ? -9.198  3.541   6.041  1.00 24.06 ? 56  CYS A SG  1 
ATOM   436  N N   . ASP A 1 57  ? -8.109  4.157   10.841 1.00 14.55 ? 57  ASP A N   1 
ATOM   437  C CA  . ASP A 1 57  ? -7.921  3.692   12.210 1.00 24.71 ? 57  ASP A CA  1 
ATOM   438  C C   . ASP A 1 57  ? -8.914  4.440   13.084 1.00 24.81 ? 57  ASP A C   1 
ATOM   439  O O   . ASP A 1 57  ? -8.686  5.588   13.477 1.00 28.93 ? 57  ASP A O   1 
ATOM   440  C CB  . ASP A 1 57  ? -6.490  3.896   12.675 1.00 22.79 ? 57  ASP A CB  1 
ATOM   441  C CG  . ASP A 1 57  ? -6.281  3.392   14.071 1.00 29.35 ? 57  ASP A CG  1 
ATOM   442  O OD1 . ASP A 1 57  ? -7.234  2.800   14.636 1.00 18.25 ? 57  ASP A OD1 1 
ATOM   443  O OD2 . ASP A 1 57  ? -5.184  3.599   14.632 1.00 24.72 ? 57  ASP A OD2 1 
ATOM   444  N N   . ARG A 1 58  ? -10.023 3.766   13.398 1.00 15.56 ? 58  ARG A N   1 
ATOM   445  C CA  . ARG A 1 58  ? -11.104 4.380   14.162 1.00 30.65 ? 58  ARG A CA  1 
ATOM   446  C C   . ARG A 1 58  ? -10.753 4.643   15.620 1.00 22.92 ? 58  ARG A C   1 
ATOM   447  O O   . ARG A 1 58  ? -11.428 5.463   16.251 1.00 24.15 ? 58  ARG A O   1 
ATOM   448  C CB  . ARG A 1 58  ? -12.356 3.508   14.053 1.00 17.65 ? 58  ARG A CB  1 
ATOM   449  C CG  . ARG A 1 58  ? -12.977 3.557   12.666 1.00 39.35 ? 58  ARG A CG  1 
ATOM   450  C CD  . ARG A 1 58  ? -14.131 2.597   12.479 1.00 25.36 ? 58  ARG A CD  1 
ATOM   451  N NE  . ARG A 1 58  ? -13.687 1.213   12.439 1.00 62.83 ? 58  ARG A NE  1 
ATOM   452  C CZ  . ARG A 1 58  ? -14.464 0.204   12.081 1.00 66.01 ? 58  ARG A CZ  1 
ATOM   453  N NH1 . ARG A 1 58  ? -15.728 0.393   11.741 1.00 44.07 ? 58  ARG A NH1 1 
ATOM   454  N NH2 . ARG A 1 58  ? -13.960 -1.025  12.057 1.00 28.44 ? 58  ARG A NH2 1 
ATOM   455  N N   . ARG A 1 59  ? -9.742  3.975   16.183 1.00 17.37 ? 59  ARG A N   1 
ATOM   456  C CA  . ARG A 1 59  ? -9.379  4.290   17.562 1.00 24.37 ? 59  ARG A CA  1 
ATOM   457  C C   . ARG A 1 59  ? -8.488  5.516   17.661 1.00 17.38 ? 59  ARG A C   1 
ATOM   458  O O   . ARG A 1 59  ? -8.384  6.102   18.745 1.00 24.98 ? 59  ARG A O   1 
ATOM   459  C CB  . ARG A 1 59  ? -8.670  3.119   18.243 1.00 22.23 ? 59  ARG A CB  1 
ATOM   460  C CG  . ARG A 1 59  ? -9.447  1.816   18.245 1.00 30.36 ? 59  ARG A CG  1 
ATOM   461  C CD  . ARG A 1 59  ? -8.538  0.622   18.515 1.00 49.47 ? 59  ARG A CD  1 
ATOM   462  N NE  . ARG A 1 59  ? -9.178  -0.641  18.170 1.00 36.78 ? 59  ARG A NE  1 
ATOM   463  C CZ  . ARG A 1 59  ? -9.900  -1.365  19.012 1.00 72.16 ? 59  ARG A CZ  1 
ATOM   464  N NH1 . ARG A 1 59  ? -10.105 -0.969  20.260 1.00 43.43 ? 59  ARG A NH1 1 
ATOM   465  N NH2 . ARG A 1 59  ? -10.427 -2.513  18.594 1.00 72.23 ? 59  ARG A NH2 1 
ATOM   466  N N   . SER A 1 60  ? -7.831  5.901   16.567 1.00 21.33 ? 60  SER A N   1 
ATOM   467  C CA  . SER A 1 60  ? -6.991  7.085   16.544 1.00 20.67 ? 60  SER A CA  1 
ATOM   468  C C   . SER A 1 60  ? -7.854  8.297   16.219 1.00 19.23 ? 60  SER A C   1 
ATOM   469  O O   . SER A 1 60  ? -9.049  8.176   15.955 1.00 17.40 ? 60  SER A O   1 
ATOM   470  C CB  . SER A 1 60  ? -5.852  6.907   15.542 1.00 14.27 ? 60  SER A CB  1 
ATOM   471  O OG  . SER A 1 60  ? -4.892  5.965   16.004 1.00 17.09 ? 60  SER A OG  1 
ATOM   472  N N   . TYR A 1 61  ? -7.262  9.485   16.235 1.00 28.60 ? 61  TYR A N   1 
ATOM   473  C CA  . TYR A 1 61  ? -8.030  10.712  16.054 1.00 24.35 ? 61  TYR A CA  1 
ATOM   474  C C   . TYR A 1 61  ? -7.553  11.508  14.840 1.00 14.59 ? 61  TYR A C   1 
ATOM   475  O O   . TYR A 1 61  ? -7.519  12.743  14.853 1.00 19.23 ? 61  TYR A O   1 
ATOM   476  C CB  . TYR A 1 61  ? -7.990  11.563  17.322 1.00 16.45 ? 61  TYR A CB  1 
ATOM   477  C CG  . TYR A 1 61  ? -8.526  10.841  18.547 1.00 22.00 ? 61  TYR A CG  1 
ATOM   478  C CD1 . TYR A 1 61  ? -9.888  10.863  18.858 1.00 29.84 ? 61  TYR A CD1 1 
ATOM   479  C CD2 . TYR A 1 61  ? -7.675  10.119  19.378 1.00 22.86 ? 61  TYR A CD2 1 
ATOM   480  C CE1 . TYR A 1 61  ? -10.374 10.197  19.965 1.00 54.61 ? 61  TYR A CE1 1 
ATOM   481  C CE2 . TYR A 1 61  ? -8.159  9.455   20.485 1.00 31.48 ? 61  TYR A CE2 1 
ATOM   482  C CZ  . TYR A 1 61  ? -9.503  9.496   20.776 1.00 60.26 ? 61  TYR A CZ  1 
ATOM   483  O OH  . TYR A 1 61  ? -9.970  8.832   21.888 1.00 48.23 ? 61  TYR A OH  1 
ATOM   484  N N   . GLY A 1 62  ? -7.202  10.801  13.769 1.00 18.32 ? 62  GLY A N   1 
ATOM   485  C CA  . GLY A 1 62  ? -6.828  11.465  12.534 1.00 24.80 ? 62  GLY A CA  1 
ATOM   486  C C   . GLY A 1 62  ? -5.619  12.350  12.725 1.00 18.16 ? 62  GLY A C   1 
ATOM   487  O O   . GLY A 1 62  ? -4.610  11.937  13.300 1.00 21.13 ? 62  GLY A O   1 
ATOM   488  N N   . CYS A 1 63  ? -5.712  13.590  12.255 1.00 26.82 ? 63  CYS A N   1 
ATOM   489  C CA  . CYS A 1 63  ? -4.599  14.515  12.411 1.00 20.81 ? 63  CYS A CA  1 
ATOM   490  C C   . CYS A 1 63  ? -4.491  15.082  13.811 1.00 20.81 ? 63  CYS A C   1 
ATOM   491  O O   . CYS A 1 63  ? -3.562  15.847  14.081 1.00 31.41 ? 63  CYS A O   1 
ATOM   492  C CB  . CYS A 1 63  ? -4.700  15.663  11.403 1.00 25.13 ? 63  CYS A CB  1 
ATOM   493  S SG  . CYS A 1 63  ? -4.382  15.145  9.696  1.00 28.84 ? 63  CYS A SG  1 
ATOM   494  N N   . ASN A 1 64  ? -5.387  14.712  14.706 1.00 17.33 ? 64  ASN A N   1 
ATOM   495  C CA  . ASN A 1 64  ? -5.294  15.131  16.090 1.00 19.34 ? 64  ASN A CA  1 
ATOM   496  C C   . ASN A 1 64  ? -4.555  14.120  16.955 1.00 21.87 ? 64  ASN A C   1 
ATOM   497  O O   . ASN A 1 64  ? -4.602  14.217  18.184 1.00 33.16 ? 64  ASN A O   1 
ATOM   498  C CB  . ASN A 1 64  ? -6.694  15.406  16.630 1.00 17.28 ? 64  ASN A CB  1 
ATOM   499  C CG  . ASN A 1 64  ? -7.317  16.642  16.003 1.00 32.92 ? 64  ASN A CG  1 
ATOM   500  O OD1 . ASN A 1 64  ? -8.337  16.562  15.321 1.00 39.83 ? 64  ASN A OD1 1 
ATOM   501  N ND2 . ASN A 1 64  ? -6.702  17.793  16.234 1.00 35.36 ? 64  ASN A ND2 1 
ATOM   502  N N   . GLY A 1 65  ? -3.881  13.160  16.343 1.00 26.48 ? 65  GLY A N   1 
ATOM   503  C CA  . GLY A 1 65  ? -3.076  12.200  17.068 1.00 18.87 ? 65  GLY A CA  1 
ATOM   504  C C   . GLY A 1 65  ? -3.706  10.821  17.043 1.00 13.55 ? 65  GLY A C   1 
ATOM   505  O O   . GLY A 1 65  ? -4.788  10.603  16.495 1.00 21.16 ? 65  GLY A O   1 
ATOM   506  N N   . GLY A 1 66  ? -2.994  9.879   17.641 1.00 18.08 ? 66  GLY A N   1 
ATOM   507  C CA  . GLY A 1 66  ? -3.429  8.504   17.546 1.00 16.85 ? 66  GLY A CA  1 
ATOM   508  C C   . GLY A 1 66  ? -2.454  7.573   18.218 1.00 16.85 ? 66  GLY A C   1 
ATOM   509  O O   . GLY A 1 66  ? -1.572  7.993   18.969 1.00 21.11 ? 66  GLY A O   1 
ATOM   510  N N   . TYR A 1 67  ? -2.645  6.287   17.949 1.00 18.31 ? 67  TYR A N   1 
ATOM   511  C CA  . TYR A 1 67  ? -1.980  5.227   18.694 1.00 15.13 ? 67  TYR A CA  1 
ATOM   512  C C   . TYR A 1 67  ? -1.291  4.319   17.689 1.00 18.53 ? 67  TYR A C   1 
ATOM   513  O O   . TYR A 1 67  ? -1.979  3.677   16.867 1.00 19.41 ? 67  TYR A O   1 
ATOM   514  C CB  . TYR A 1 67  ? -2.974  4.453   19.565 1.00 17.02 ? 67  TYR A CB  1 
ATOM   515  C CG  . TYR A 1 67  ? -3.760  5.351   20.488 1.00 17.75 ? 67  TYR A CG  1 
ATOM   516  C CD1 . TYR A 1 67  ? -3.183  5.855   21.653 1.00 18.21 ? 67  TYR A CD1 1 
ATOM   517  C CD2 . TYR A 1 67  ? -5.072  5.705   20.202 1.00 25.71 ? 67  TYR A CD2 1 
ATOM   518  C CE1 . TYR A 1 67  ? -3.895  6.685   22.510 1.00 30.27 ? 67  TYR A CE1 1 
ATOM   519  C CE2 . TYR A 1 67  ? -5.792  6.527   21.057 1.00 33.33 ? 67  TYR A CE2 1 
ATOM   520  C CZ  . TYR A 1 67  ? -5.198  7.014   22.207 1.00 42.67 ? 67  TYR A CZ  1 
ATOM   521  O OH  . TYR A 1 67  ? -5.903  7.832   23.053 1.00 53.81 ? 67  TYR A OH  1 
ATOM   522  N N   . PRO A 1 68  ? 0.037   4.234   17.709 1.00 23.24 ? 68  PRO A N   1 
ATOM   523  C CA  . PRO A 1 68  ? 0.721   3.257   16.847 1.00 18.43 ? 68  PRO A CA  1 
ATOM   524  C C   . PRO A 1 68  ? 0.202   1.850   17.042 1.00 17.91 ? 68  PRO A C   1 
ATOM   525  O O   . PRO A 1 68  ? 0.035   1.112   16.060 1.00 18.82 ? 68  PRO A O   1 
ATOM   526  C CB  . PRO A 1 68  ? 2.184   3.372   17.291 1.00 25.05 ? 68  PRO A CB  1 
ATOM   527  C CG  . PRO A 1 68  ? 2.305   4.756   17.797 1.00 17.91 ? 68  PRO A CG  1 
ATOM   528  C CD  . PRO A 1 68  ? 0.984   5.062   18.470 1.00 17.91 ? 68  PRO A CD  1 
ATOM   529  N N   . TRP A 1 69  ? -0.063  1.461   18.292 1.00 29.63 ? 69  TRP A N   1 
ATOM   530  C CA  . TRP A 1 69  ? -0.614  0.137   18.541 1.00 23.83 ? 69  TRP A CA  1 
ATOM   531  C C   . TRP A 1 69  ? -1.906  -0.063  17.759 1.00 23.53 ? 69  TRP A C   1 
ATOM   532  O O   . TRP A 1 69  ? -2.136  -1.132  17.182 1.00 25.65 ? 69  TRP A O   1 
ATOM   533  C CB  . TRP A 1 69  ? -0.822  -0.068  20.048 1.00 37.13 ? 69  TRP A CB  1 
ATOM   534  C CG  . TRP A 1 69  ? -2.182  0.342   20.564 1.00 37.13 ? 69  TRP A CG  1 
ATOM   535  C CD1 . TRP A 1 69  ? -2.485  1.470   21.296 1.00 37.13 ? 69  TRP A CD1 1 
ATOM   536  C CD2 . TRP A 1 69  ? -3.416  -0.391  20.431 1.00 37.13 ? 69  TRP A CD2 1 
ATOM   537  N NE1 . TRP A 1 69  ? -3.836  1.493   21.592 1.00 37.13 ? 69  TRP A NE1 1 
ATOM   538  C CE2 . TRP A 1 69  ? -4.425  0.366   21.073 1.00 37.13 ? 69  TRP A CE2 1 
ATOM   539  C CE3 . TRP A 1 69  ? -3.766  -1.606  19.821 1.00 37.13 ? 69  TRP A CE3 1 
ATOM   540  C CZ2 . TRP A 1 69  ? -5.756  -0.057  21.122 1.00 37.13 ? 69  TRP A CZ2 1 
ATOM   541  C CZ3 . TRP A 1 69  ? -5.087  -2.022  19.867 1.00 37.13 ? 69  TRP A CZ3 1 
ATOM   542  C CH2 . TRP A 1 69  ? -6.067  -1.250  20.515 1.00 37.13 ? 69  TRP A CH2 1 
ATOM   543  N N   . SER A 1 70  ? -2.740  0.974   17.687 1.00 22.23 ? 70  SER A N   1 
ATOM   544  C CA  . SER A 1 70  ? -4.058  0.828   17.079 1.00 22.23 ? 70  SER A CA  1 
ATOM   545  C C   . SER A 1 70  ? -3.957  0.750   15.560 1.00 22.23 ? 70  SER A C   1 
ATOM   546  O O   . SER A 1 70  ? -4.686  -0.018  14.915 1.00 22.51 ? 70  SER A O   1 
ATOM   547  C CB  . SER A 1 70  ? -4.936  1.990   17.525 1.00 24.50 ? 70  SER A CB  1 
ATOM   548  O OG  . SER A 1 70  ? -5.909  2.300   16.569 1.00 36.71 ? 70  SER A OG  1 
ATOM   549  N N   . ALA A 1 71  ? -3.027  1.507   14.975 1.00 19.71 ? 71  ALA A N   1 
ATOM   550  C CA  . ALA A 1 71  ? -2.751  1.399   13.545 1.00 16.49 ? 71  ALA A CA  1 
ATOM   551  C C   . ALA A 1 71  ? -2.185  0.032   13.186 1.00 25.80 ? 71  ALA A C   1 
ATOM   552  O O   . ALA A 1 71  ? -2.540  -0.545  12.150 1.00 17.49 ? 71  ALA A O   1 
ATOM   553  C CB  . ALA A 1 71  ? -1.794  2.508   13.122 1.00 15.45 ? 71  ALA A CB  1 
ATOM   554  N N   . LEU A 1 72  ? -1.312  -0.512  14.032 1.00 19.36 ? 72  LEU A N   1 
ATOM   555  C CA  . LEU A 1 72  ? -0.752  -1.828  13.743 1.00 19.36 ? 72  LEU A CA  1 
ATOM   556  C C   . LEU A 1 72  ? -1.811  -2.907  13.890 1.00 22.60 ? 72  LEU A C   1 
ATOM   557  O O   . LEU A 1 72  ? -1.817  -3.888  13.133 1.00 20.07 ? 72  LEU A O   1 
ATOM   558  C CB  . LEU A 1 72  ? 0.426   -2.097  14.678 1.00 19.36 ? 72  LEU A CB  1 
ATOM   559  C CG  . LEU A 1 72  ? 1.679   -1.275  14.366 1.00 19.36 ? 72  LEU A CG  1 
ATOM   560  C CD1 . LEU A 1 72  ? 2.731   -1.496  15.425 1.00 19.65 ? 72  LEU A CD1 1 
ATOM   561  C CD2 . LEU A 1 72  ? 2.212   -1.618  12.984 1.00 20.43 ? 72  LEU A CD2 1 
ATOM   562  N N   A GLN A 1 73  ? -2.728  -2.735  14.843 0.56 24.34 ? 73  GLN A N   1 
ATOM   563  N N   B GLN A 1 73  ? -2.717  -2.743  14.861 0.44 24.34 ? 73  GLN A N   1 
ATOM   564  C CA  A GLN A 1 73  ? -3.841  -3.667  14.962 0.56 27.46 ? 73  GLN A CA  1 
ATOM   565  C CA  B GLN A 1 73  ? -3.865  -3.636  14.984 0.44 27.46 ? 73  GLN A CA  1 
ATOM   566  C C   A GLN A 1 73  ? -4.750  -3.579  13.740 0.56 24.34 ? 73  GLN A C   1 
ATOM   567  C C   B GLN A 1 73  ? -4.730  -3.575  13.732 0.44 24.34 ? 73  GLN A C   1 
ATOM   568  O O   A GLN A 1 73  ? -5.274  -4.599  13.271 0.56 24.58 ? 73  GLN A O   1 
ATOM   569  O O   B GLN A 1 73  ? -5.218  -4.605  13.249 0.44 24.58 ? 73  GLN A O   1 
ATOM   570  C CB  A GLN A 1 73  ? -4.605  -3.394  16.260 0.56 24.34 ? 73  GLN A CB  1 
ATOM   571  C CB  B GLN A 1 73  ? -4.677  -3.263  16.230 0.44 24.34 ? 73  GLN A CB  1 
ATOM   572  C CG  A GLN A 1 73  ? -5.491  -4.549  16.713 0.56 32.69 ? 73  GLN A CG  1 
ATOM   573  C CG  B GLN A 1 73  ? -5.615  -4.352  16.771 0.44 32.69 ? 73  GLN A CG  1 
ATOM   574  C CD  A GLN A 1 73  ? -4.722  -5.860  16.846 0.56 37.17 ? 73  GLN A CD  1 
ATOM   575  C CD  B GLN A 1 73  ? -6.921  -4.474  15.994 0.44 37.17 ? 73  GLN A CD  1 
ATOM   576  O OE1 A GLN A 1 73  ? -3.849  -5.999  17.705 0.56 51.01 ? 73  GLN A OE1 1 
ATOM   577  O OE1 B GLN A 1 73  ? -7.238  -5.533  15.448 0.44 51.01 ? 73  GLN A OE1 1 
ATOM   578  N NE2 A GLN A 1 73  ? -5.040  -6.824  15.986 0.56 47.40 ? 73  GLN A NE2 1 
ATOM   579  N NE2 B GLN A 1 73  ? -7.686  -3.387  15.947 0.44 47.40 ? 73  GLN A NE2 1 
ATOM   580  N N   . LEU A 1 74  ? -4.923  -2.370  13.192 1.00 21.77 ? 74  LEU A N   1 
ATOM   581  C CA  . LEU A 1 74  ? -5.660  -2.216  11.939 1.00 25.98 ? 74  LEU A CA  1 
ATOM   582  C C   . LEU A 1 74  ? -4.999  -2.958  10.785 1.00 25.26 ? 74  LEU A C   1 
ATOM   583  O O   . LEU A 1 74  ? -5.684  -3.584  9.967  1.00 26.81 ? 74  LEU A O   1 
ATOM   584  C CB  . LEU A 1 74  ? -5.750  -0.734  11.585 1.00 25.49 ? 74  LEU A CB  1 
ATOM   585  C CG  . LEU A 1 74  ? -6.587  -0.327  10.378 1.00 55.01 ? 74  LEU A CG  1 
ATOM   586  C CD1 . LEU A 1 74  ? -8.035  -0.729  10.554 1.00 41.23 ? 74  LEU A CD1 1 
ATOM   587  C CD2 . LEU A 1 74  ? -6.443  1.164   10.154 1.00 32.24 ? 74  LEU A CD2 1 
ATOM   588  N N   . VAL A 1 75  ? -3.669  -2.872  10.682 1.00 21.82 ? 75  VAL A N   1 
ATOM   589  C CA  . VAL A 1 75  ? -2.974  -3.573  9.599  1.00 21.82 ? 75  VAL A CA  1 
ATOM   590  C C   . VAL A 1 75  ? -3.001  -5.082  9.795  1.00 26.44 ? 75  VAL A C   1 
ATOM   591  O O   . VAL A 1 75  ? -3.033  -5.841  8.819  1.00 25.79 ? 75  VAL A O   1 
ATOM   592  C CB  . VAL A 1 75  ? -1.542  -3.039  9.435  1.00 24.74 ? 75  VAL A CB  1 
ATOM   593  C CG1 . VAL A 1 75  ? -0.830  -3.763  8.297  1.00 21.82 ? 75  VAL A CG1 1 
ATOM   594  C CG2 . VAL A 1 75  ? -1.604  -1.562  9.145  1.00 24.58 ? 75  VAL A CG2 1 
ATOM   595  N N   . ALA A 1 76  ? -3.025  -5.549  11.042 1.00 32.75 ? 76  ALA A N   1 
ATOM   596  C CA  . ALA A 1 76  ? -3.082  -6.990  11.258 1.00 26.22 ? 76  ALA A CA  1 
ATOM   597  C C   . ALA A 1 76  ? -4.477  -7.550  11.024 1.00 27.36 ? 76  ALA A C   1 
ATOM   598  O O   . ALA A 1 76  ? -4.608  -8.676  10.529 1.00 29.36 ? 76  ALA A O   1 
ATOM   599  C CB  . ALA A 1 76  ? -2.608  -7.335  12.674 1.00 26.22 ? 76  ALA A CB  1 
ATOM   600  N N   . GLN A 1 77  ? -5.520  -6.783  11.334 1.00 35.06 ? 77  GLN A N   1 
ATOM   601  C CA  . GLN A 1 77  ? -6.871  -7.308  11.185 1.00 34.10 ? 77  GLN A CA  1 
ATOM   602  C C   . GLN A 1 77  ? -7.379  -7.172  9.750  1.00 34.28 ? 77  GLN A C   1 
ATOM   603  O O   . GLN A 1 77  ? -8.095  -8.052  9.258  1.00 34.07 ? 77  GLN A O   1 
ATOM   604  C CB  . GLN A 1 77  ? -7.804  -6.609  12.183 1.00 30.87 ? 77  GLN A CB  1 
ATOM   605  C CG  . GLN A 1 77  ? -9.275  -6.603  11.803 1.00 35.60 ? 77  GLN A CG  1 
ATOM   606  C CD  . GLN A 1 77  ? -10.152 -6.038  12.904 1.00 54.62 ? 77  GLN A CD  1 
ATOM   607  O OE1 . GLN A 1 77  ? -11.087 -6.692  13.369 1.00 51.38 ? 77  GLN A OE1 1 
ATOM   608  N NE2 . GLN A 1 77  ? -9.835  -4.822  13.348 1.00 40.98 ? 77  GLN A NE2 1 
ATOM   609  N N   . TYR A 1 78  ? -7.015  -6.090  9.061  1.00 22.84 ? 78  TYR A N   1 
ATOM   610  C CA  . TYR A 1 78  ? -7.462  -5.838  7.691  1.00 22.84 ? 78  TYR A CA  1 
ATOM   611  C C   . TYR A 1 78  ? -6.289  -5.898  6.720  1.00 40.00 ? 78  TYR A C   1 
ATOM   612  O O   . TYR A 1 78  ? -6.271  -6.751  5.833  1.00 59.01 ? 78  TYR A O   1 
ATOM   613  C CB  . TYR A 1 78  ? -8.210  -4.508  7.587  1.00 30.06 ? 78  TYR A CB  1 
ATOM   614  C CG  . TYR A 1 78  ? -9.464  -4.451  8.445  1.00 33.36 ? 78  TYR A CG  1 
ATOM   615  C CD1 . TYR A 1 78  ? -10.668 -4.988  7.991  1.00 49.98 ? 78  TYR A CD1 1 
ATOM   616  C CD2 . TYR A 1 78  ? -9.457  -3.828  9.691  1.00 65.82 ? 78  TYR A CD2 1 
ATOM   617  C CE1 . TYR A 1 78  ? -11.822 -4.931  8.767  1.00 38.76 ? 78  TYR A CE1 1 
ATOM   618  C CE2 . TYR A 1 78  ? -10.611 -3.760  10.467 1.00 45.29 ? 78  TYR A CE2 1 
ATOM   619  C CZ  . TYR A 1 78  ? -11.786 -4.317  10.000 1.00 71.26 ? 78  TYR A CZ  1 
ATOM   620  O OH  . TYR A 1 78  ? -12.926 -4.256  10.766 1.00 53.56 ? 78  TYR A OH  1 
ATOM   621  N N   . GLY A 1 79  ? -5.390  -4.937  6.770  1.00 29.47 ? 79  GLY A N   1 
ATOM   622  C CA  . GLY A 1 79  ? -4.278  -4.880  5.848  1.00 25.99 ? 79  GLY A CA  1 
ATOM   623  C C   . GLY A 1 79  ? -3.920  -3.435  5.582  1.00 24.79 ? 79  GLY A C   1 
ATOM   624  O O   . GLY A 1 79  ? -4.423  -2.523  6.233  1.00 27.52 ? 79  GLY A O   1 
ATOM   625  N N   . ILE A 1 80  ? -3.076  -3.231  4.575  1.00 21.43 ? 80  ILE A N   1 
ATOM   626  C CA  . ILE A 1 80  ? -2.647  -1.881  4.254  1.00 26.20 ? 80  ILE A CA  1 
ATOM   627  C C   . ILE A 1 80  ? -2.343  -1.826  2.764  1.00 18.09 ? 80  ILE A C   1 
ATOM   628  O O   . ILE A 1 80  ? -1.930  -2.819  2.157  1.00 17.77 ? 80  ILE A O   1 
ATOM   629  C CB  . ILE A 1 80  ? -1.443  -1.458  5.121  1.00 22.54 ? 80  ILE A CB  1 
ATOM   630  C CG1 . ILE A 1 80  ? -1.208  0.040   5.029  1.00 17.11 ? 80  ILE A CG1 1 
ATOM   631  C CG2 . ILE A 1 80  ? -0.186  -2.128  4.617  1.00 17.58 ? 80  ILE A CG2 1 
ATOM   632  C CD1 . ILE A 1 80  ? -0.279  0.549   6.127  1.00 17.11 ? 80  ILE A CD1 1 
ATOM   633  N N   . HIS A 1 81  ? -2.592  -0.669  2.164  1.00 15.08 ? 81  HIS A N   1 
ATOM   634  C CA  . HIS A 1 81  ? -2.311  -0.473  0.754  1.00 15.08 ? 81  HIS A CA  1 
ATOM   635  C C   . HIS A 1 81  ? -0.921  0.113   0.545  1.00 15.65 ? 81  HIS A C   1 
ATOM   636  O O   . HIS A 1 81  ? -0.311  0.678   1.457  1.00 17.20 ? 81  HIS A O   1 
ATOM   637  C CB  . HIS A 1 81  ? -3.372  0.437   0.133  1.00 20.03 ? 81  HIS A CB  1 
ATOM   638  C CG  . HIS A 1 81  ? -4.690  -0.241  -0.050 1.00 28.07 ? 81  HIS A CG  1 
ATOM   639  N ND1 . HIS A 1 81  ? -5.680  -0.205  0.907  1.00 22.54 ? 81  HIS A ND1 1 
ATOM   640  C CD2 . HIS A 1 81  ? -5.155  -1.030  -1.044 1.00 23.03 ? 81  HIS A CD2 1 
ATOM   641  C CE1 . HIS A 1 81  ? -6.715  -0.912  0.491  1.00 21.93 ? 81  HIS A CE1 1 
ATOM   642  N NE2 . HIS A 1 81  ? -6.422  -1.422  -0.691 1.00 23.22 ? 81  HIS A NE2 1 
ATOM   643  N N   . TYR A 1 82  ? -0.415  -0.041  -0.670 1.00 17.10 ? 82  TYR A N   1 
ATOM   644  C CA  . TYR A 1 82  ? 0.823   0.624   -1.033 1.00 15.89 ? 82  TYR A CA  1 
ATOM   645  C C   . TYR A 1 82  ? 0.644   2.129   -0.930 1.00 16.56 ? 82  TYR A C   1 
ATOM   646  O O   . TYR A 1 82  ? -0.462  2.657   -1.077 1.00 17.17 ? 82  TYR A O   1 
ATOM   647  C CB  . TYR A 1 82  ? 1.229   0.287   -2.455 1.00 18.65 ? 82  TYR A CB  1 
ATOM   648  C CG  . TYR A 1 82  ? 1.722   -1.106  -2.634 1.00 19.02 ? 82  TYR A CG  1 
ATOM   649  C CD1 . TYR A 1 82  ? 2.706   -1.621  -1.817 1.00 26.06 ? 82  TYR A CD1 1 
ATOM   650  C CD2 . TYR A 1 82  ? 1.202   -1.910  -3.640 1.00 31.66 ? 82  TYR A CD2 1 
ATOM   651  C CE1 . TYR A 1 82  ? 3.165   -2.909  -1.991 1.00 18.56 ? 82  TYR A CE1 1 
ATOM   652  C CE2 . TYR A 1 82  ? 1.646   -3.202  -3.826 1.00 18.89 ? 82  TYR A CE2 1 
ATOM   653  C CZ  . TYR A 1 82  ? 2.634   -3.701  -2.995 1.00 24.13 ? 82  TYR A CZ  1 
ATOM   654  O OH  . TYR A 1 82  ? 3.080   -4.991  -3.173 1.00 32.14 ? 82  TYR A OH  1 
ATOM   655  N N   . ARG A 1 83  ? 1.738   2.826   -0.647 1.00 15.06 ? 83  ARG A N   1 
ATOM   656  C CA  . ARG A 1 83  ? 1.643   4.274   -0.545 1.00 14.78 ? 83  ARG A CA  1 
ATOM   657  C C   . ARG A 1 83  ? 1.172   4.885   -1.862 1.00 18.54 ? 83  ARG A C   1 
ATOM   658  O O   . ARG A 1 83  ? 0.410   5.856   -1.867 1.00 24.06 ? 83  ARG A O   1 
ATOM   659  C CB  . ARG A 1 83  ? 2.988   4.841   -0.117 1.00 16.89 ? 83  ARG A CB  1 
ATOM   660  C CG  . ARG A 1 83  ? 2.871   6.186   0.523  1.00 15.36 ? 83  ARG A CG  1 
ATOM   661  C CD  . ARG A 1 83  ? 4.219   6.694   0.959  1.00 23.23 ? 83  ARG A CD  1 
ATOM   662  N NE  . ARG A 1 83  ? 4.069   7.700   2.001  1.00 23.18 ? 83  ARG A NE  1 
ATOM   663  C CZ  . ARG A 1 83  ? 4.518   8.942   1.900  1.00 22.22 ? 83  ARG A CZ  1 
ATOM   664  N NH1 . ARG A 1 83  ? 5.190   9.348   0.831  1.00 21.20 ? 83  ARG A NH1 1 
ATOM   665  N NH2 . ARG A 1 83  ? 4.284   9.797   2.893  1.00 22.45 ? 83  ARG A NH2 1 
ATOM   666  N N   . ASN A 1 84  ? 1.598   4.305   -2.990 1.00 14.80 ? 84  ASN A N   1 
ATOM   667  C CA  . ASN A 1 84  ? 1.135   4.749   -4.304 1.00 18.98 ? 84  ASN A CA  1 
ATOM   668  C C   . ASN A 1 84  ? -0.381  4.652   -4.438 1.00 17.56 ? 84  ASN A C   1 
ATOM   669  O O   . ASN A 1 84  ? -1.018  5.546   -5.007 1.00 21.98 ? 84  ASN A O   1 
ATOM   670  C CB  . ASN A 1 84  ? 1.801   3.919   -5.400 1.00 45.44 ? 84  ASN A CB  1 
ATOM   671  C CG  . ASN A 1 84  ? 2.645   4.756   -6.319 1.00 65.04 ? 84  ASN A CG  1 
ATOM   672  O OD1 . ASN A 1 84  ? 2.461   5.970   -6.412 1.00 63.65 ? 84  ASN A OD1 1 
ATOM   673  N ND2 . ASN A 1 84  ? 3.583   4.117   -7.007 1.00 75.14 ? 84  ASN A ND2 1 
ATOM   674  N N   . THR A 1 85  ? -0.971  3.554   -3.961 1.00 15.34 ? 85  THR A N   1 
ATOM   675  C CA  . THR A 1 85  ? -2.413  3.381   -4.084 1.00 12.86 ? 85  THR A CA  1 
ATOM   676  C C   . THR A 1 85  ? -3.175  4.349   -3.194 1.00 24.76 ? 85  THR A C   1 
ATOM   677  O O   . THR A 1 85  ? -4.275  4.787   -3.556 1.00 24.97 ? 85  THR A O   1 
ATOM   678  C CB  . THR A 1 85  ? -2.815  1.944   -3.748 1.00 19.50 ? 85  THR A CB  1 
ATOM   679  O OG1 . THR A 1 85  ? -2.039  1.026   -4.527 1.00 45.72 ? 85  THR A OG1 1 
ATOM   680  C CG2 . THR A 1 85  ? -4.320  1.714   -3.989 1.00 26.98 ? 85  THR A CG2 1 
ATOM   681  N N   . TYR A 1 86  ? -2.588  4.751   -2.072 1.00 20.35 ? 86  TYR A N   1 
ATOM   682  C CA  . TYR A 1 86  ? -3.304  5.493   -1.031 1.00 14.36 ? 86  TYR A CA  1 
ATOM   683  C C   . TYR A 1 86  ? -2.325  6.529   -0.493 1.00 15.46 ? 86  TYR A C   1 
ATOM   684  O O   . TYR A 1 86  ? -1.820  6.424   0.630  1.00 18.04 ? 86  TYR A O   1 
ATOM   685  C CB  . TYR A 1 86  ? -3.795  4.521   0.048  1.00 22.61 ? 86  TYR A CB  1 
ATOM   686  C CG  . TYR A 1 86  ? -5.004  4.940   0.852  1.00 28.98 ? 86  TYR A CG  1 
ATOM   687  C CD1 . TYR A 1 86  ? -5.270  6.276   1.119  1.00 20.32 ? 86  TYR A CD1 1 
ATOM   688  C CD2 . TYR A 1 86  ? -5.871  3.976   1.384  1.00 15.60 ? 86  TYR A CD2 1 
ATOM   689  C CE1 . TYR A 1 86  ? -6.380  6.648   1.863  1.00 17.01 ? 86  TYR A CE1 1 
ATOM   690  C CE2 . TYR A 1 86  ? -6.980  4.337   2.144  1.00 14.36 ? 86  TYR A CE2 1 
ATOM   691  C CZ  . TYR A 1 86  ? -7.228  5.674   2.377  1.00 18.70 ? 86  TYR A CZ  1 
ATOM   692  O OH  . TYR A 1 86  ? -8.330  6.039   3.126  1.00 15.29 ? 86  TYR A OH  1 
ATOM   693  N N   . PRO A 1 87  ? -2.019  7.543   -1.298 1.00 19.12 ? 87  PRO A N   1 
ATOM   694  C CA  . PRO A 1 87  ? -0.928  8.465   -0.958 1.00 13.63 ? 87  PRO A CA  1 
ATOM   695  C C   . PRO A 1 87  ? -1.289  9.411   0.170  1.00 31.68 ? 87  PRO A C   1 
ATOM   696  O O   . PRO A 1 87  ? -2.456  9.609   0.515  1.00 15.64 ? 87  PRO A O   1 
ATOM   697  C CB  . PRO A 1 87  ? -0.710  9.250   -2.256 1.00 13.47 ? 87  PRO A CB  1 
ATOM   698  C CG  . PRO A 1 87  ? -2.043  9.149   -2.953 1.00 17.03 ? 87  PRO A CG  1 
ATOM   699  C CD  . PRO A 1 87  ? -2.537  7.778   -2.658 1.00 10.23 ? 87  PRO A CD  1 
ATOM   700  N N   . TYR A 1 88  ? -0.244  10.014  0.727  1.00 15.14 ? 88  TYR A N   1 
ATOM   701  C CA  . TYR A 1 88  ? -0.371  10.868  1.896  1.00 13.65 ? 88  TYR A CA  1 
ATOM   702  C C   . TYR A 1 88  ? -0.835  12.272  1.503  1.00 13.94 ? 88  TYR A C   1 
ATOM   703  O O   . TYR A 1 88  ? -0.289  12.885  0.580  1.00 14.88 ? 88  TYR A O   1 
ATOM   704  C CB  . TYR A 1 88  ? 0.955   10.940  2.654  1.00 11.15 ? 88  TYR A CB  1 
ATOM   705  C CG  . TYR A 1 88  ? 0.867   11.716  3.952  1.00 14.15 ? 88  TYR A CG  1 
ATOM   706  C CD1 . TYR A 1 88  ? 0.039   11.282  4.999  1.00 10.43 ? 88  TYR A CD1 1 
ATOM   707  C CD2 . TYR A 1 88  ? 1.582   12.894  4.127  1.00 10.57 ? 88  TYR A CD2 1 
ATOM   708  C CE1 . TYR A 1 88  ? -0.055  11.996  6.197  1.00 16.89 ? 88  TYR A CE1 1 
ATOM   709  C CE2 . TYR A 1 88  ? 1.493   13.615  5.325  1.00 10.43 ? 88  TYR A CE2 1 
ATOM   710  C CZ  . TYR A 1 88  ? 0.676   13.156  6.350  1.00 16.14 ? 88  TYR A CZ  1 
ATOM   711  O OH  . TYR A 1 88  ? 0.594   13.868  7.517  1.00 13.69 ? 88  TYR A OH  1 
ATOM   712  N N   . GLU A 1 89  ? -1.874  12.761  2.183  1.00 13.85 ? 89  GLU A N   1 
ATOM   713  C CA  . GLU A 1 89  ? -2.477  14.057  1.892  1.00 19.44 ? 89  GLU A CA  1 
ATOM   714  C C   . GLU A 1 89  ? -2.331  15.050  3.030  1.00 21.26 ? 89  GLU A C   1 
ATOM   715  O O   . GLU A 1 89  ? -2.607  16.239  2.829  1.00 26.08 ? 89  GLU A O   1 
ATOM   716  C CB  . GLU A 1 89  ? -3.970  13.915  1.564  1.00 16.63 ? 89  GLU A CB  1 
ATOM   717  C CG  . GLU A 1 89  ? -4.275  12.916  0.460  1.00 15.37 ? 89  GLU A CG  1 
ATOM   718  C CD  . GLU A 1 89  ? -5.745  12.895  0.104  1.00 27.14 ? 89  GLU A CD  1 
ATOM   719  O OE1 . GLU A 1 89  ? -6.286  13.957  -0.275 1.00 49.45 ? 89  GLU A OE1 1 
ATOM   720  O OE2 . GLU A 1 89  ? -6.356  11.813  0.229  1.00 24.24 ? 89  GLU A OE2 1 
ATOM   721  N N   . GLY A 1 90  ? -1.898  14.605  4.207  1.00 12.19 ? 90  GLY A N   1 
ATOM   722  C CA  . GLY A 1 90  ? -1.668  15.524  5.295  1.00 16.19 ? 90  GLY A CA  1 
ATOM   723  C C   . GLY A 1 90  ? -2.943  15.996  5.937  1.00 19.68 ? 90  GLY A C   1 
ATOM   724  O O   . GLY A 1 90  ? -2.931  16.968  6.698  1.00 18.43 ? 90  GLY A O   1 
ATOM   725  N N   . VAL A 1 91  ? -4.043  15.304  5.680  1.00 14.54 ? 91  VAL A N   1 
ATOM   726  C CA  . VAL A 1 91  ? -5.340  15.627  6.256  1.00 13.62 ? 91  VAL A CA  1 
ATOM   727  C C   . VAL A 1 91  ? -6.134  14.337  6.345  1.00 19.71 ? 91  VAL A C   1 
ATOM   728  O O   . VAL A 1 91  ? -5.977  13.441  5.509  1.00 18.16 ? 91  VAL A O   1 
ATOM   729  C CB  . VAL A 1 91  ? -6.086  16.685  5.416  1.00 19.94 ? 91  VAL A CB  1 
ATOM   730  C CG1 . VAL A 1 91  ? -6.274  16.200  3.986  1.00 29.95 ? 91  VAL A CG1 1 
ATOM   731  C CG2 . VAL A 1 91  ? -7.439  17.001  6.043  1.00 23.02 ? 91  VAL A CG2 1 
ATOM   732  N N   . GLN A 1 92  ? -6.926  14.203  7.401  1.00 14.81 ? 92  GLN A N   1 
ATOM   733  C CA  . GLN A 1 92  ? -7.747  13.013  7.536  1.00 14.32 ? 92  GLN A CA  1 
ATOM   734  C C   . GLN A 1 92  ? -8.932  13.095  6.584  1.00 15.45 ? 92  GLN A C   1 
ATOM   735  O O   . GLN A 1 92  ? -9.588  14.134  6.464  1.00 25.09 ? 92  GLN A O   1 
ATOM   736  C CB  . GLN A 1 92  ? -8.260  12.826  8.959  1.00 16.07 ? 92  GLN A CB  1 
ATOM   737  C CG  . GLN A 1 92  ? -8.947  11.484  9.085  1.00 25.54 ? 92  GLN A CG  1 
ATOM   738  C CD  . GLN A 1 92  ? -9.574  11.272  10.424 1.00 27.14 ? 92  GLN A CD  1 
ATOM   739  O OE1 . GLN A 1 92  ? -9.578  12.170  11.273 1.00 23.45 ? 92  GLN A OE1 1 
ATOM   740  N NE2 . GLN A 1 92  ? -10.115 10.079  10.637 1.00 24.82 ? 92  GLN A NE2 1 
ATOM   741  N N   . ARG A 1 93  ? -9.208  11.993  5.916  1.00 18.16 ? 93  ARG A N   1 
ATOM   742  C CA  . ARG A 1 93  ? -10.329 11.899  5.002  1.00 21.79 ? 93  ARG A CA  1 
ATOM   743  C C   . ARG A 1 93  ? -11.141 10.654  5.355  1.00 12.24 ? 93  ARG A C   1 
ATOM   744  O O   . ARG A 1 93  ? -10.843 9.929   6.317  1.00 17.53 ? 93  ARG A O   1 
ATOM   745  C CB  . ARG A 1 93  ? -9.866  11.905  3.541  1.00 30.64 ? 93  ARG A CB  1 
ATOM   746  C CG  . ARG A 1 93  ? -9.177  13.206  3.160  1.00 19.96 ? 93  ARG A CG  1 
ATOM   747  C CD  . ARG A 1 93  ? -8.785  13.231  1.712  1.00 21.08 ? 93  ARG A CD  1 
ATOM   748  N NE  . ARG A 1 93  ? -9.949  13.148  0.843  1.00 47.16 ? 93  ARG A NE  1 
ATOM   749  C CZ  . ARG A 1 93  ? -9.886  13.156  -0.477 1.00 51.94 ? 93  ARG A CZ  1 
ATOM   750  N NH1 . ARG A 1 93  ? -8.728  13.232  -1.109 1.00 48.96 ? 93  ARG A NH1 1 
ATOM   751  N NH2 . ARG A 1 93  ? -11.012 13.109  -1.180 1.00 40.02 ? 93  ARG A NH2 1 
ATOM   752  N N   . TYR A 1 94  ? -12.150 10.398  4.533  1.00 25.22 ? 94  TYR A N   1 
ATOM   753  C CA  . TYR A 1 94  ? -12.993 9.227   4.686  1.00 34.48 ? 94  TYR A CA  1 
ATOM   754  C C   . TYR A 1 94  ? -12.125 7.988   4.530  1.00 25.87 ? 94  TYR A C   1 
ATOM   755  O O   . TYR A 1 94  ? -11.124 7.997   3.806  1.00 23.97 ? 94  TYR A O   1 
ATOM   756  C CB  . TYR A 1 94  ? -13.988 9.203   3.534  1.00 45.21 ? 94  TYR A CB  1 
ATOM   757  C CG  . TYR A 1 94  ? -14.774 10.474  3.365  1.00 73.82 ? 94  TYR A CG  1 
ATOM   758  C CD1 . TYR A 1 94  ? -15.352 11.148  4.436  1.00 71.68 ? 94  TYR A CD1 1 
ATOM   759  C CD2 . TYR A 1 94  ? -14.817 11.071  2.107  1.00 51.97 ? 94  TYR A CD2 1 
ATOM   760  C CE1 . TYR A 1 94  ? -16.030 12.353  4.233  1.00 48.30 ? 94  TYR A CE1 1 
ATOM   761  C CE2 . TYR A 1 94  ? -15.478 12.260  1.893  1.00 84.83 ? 94  TYR A CE2 1 
ATOM   762  C CZ  . TYR A 1 94  ? -16.086 12.902  2.957  1.00 77.15 ? 94  TYR A CZ  1 
ATOM   763  O OH  . TYR A 1 94  ? -16.746 14.089  2.717  1.00 59.41 ? 94  TYR A OH  1 
ATOM   764  N N   . CYS A 1 95  ? -12.487 6.916   5.219  1.00 21.18 ? 95  CYS A N   1 
ATOM   765  C CA  . CYS A 1 95  ? -11.772 5.671   4.998  1.00 22.68 ? 95  CYS A CA  1 
ATOM   766  C C   . CYS A 1 95  ? -12.051 5.149   3.597  1.00 25.47 ? 95  CYS A C   1 
ATOM   767  O O   . CYS A 1 95  ? -13.202 4.855   3.251  1.00 31.40 ? 95  CYS A O   1 
ATOM   768  C CB  . CYS A 1 95  ? -12.140 4.619   6.033  1.00 18.65 ? 95  CYS A CB  1 
ATOM   769  S SG  . CYS A 1 95  ? -11.174 3.097   5.737  1.00 25.28 ? 95  CYS A SG  1 
ATOM   770  N N   . ARG A 1 96  ? -10.996 5.011   2.795  1.00 16.79 ? 96  ARG A N   1 
ATOM   771  C CA  . ARG A 1 96  ? -11.132 4.618   1.399  1.00 24.77 ? 96  ARG A CA  1 
ATOM   772  C C   . ARG A 1 96  ? -10.486 3.278   1.129  1.00 21.30 ? 96  ARG A C   1 
ATOM   773  O O   . ARG A 1 96  ? -10.345 2.896   -0.039 1.00 24.55 ? 96  ARG A O   1 
ATOM   774  C CB  . ARG A 1 96  ? -10.555 5.684   0.472  1.00 19.24 ? 96  ARG A CB  1 
ATOM   775  C CG  . ARG A 1 96  ? -11.343 6.958   0.528  1.00 18.27 ? 96  ARG A CG  1 
ATOM   776  C CD  . ARG A 1 96  ? -10.558 8.122   0.028  1.00 21.11 ? 96  ARG A CD  1 
ATOM   777  N NE  . ARG A 1 96  ? -9.677  8.615   1.079  1.00 19.43 ? 96  ARG A NE  1 
ATOM   778  C CZ  . ARG A 1 96  ? -8.648  9.416   0.860  1.00 25.13 ? 96  ARG A CZ  1 
ATOM   779  N NH1 . ARG A 1 96  ? -8.321  9.793   -0.366 1.00 19.54 ? 96  ARG A NH1 1 
ATOM   780  N NH2 . ARG A 1 96  ? -7.916  9.827   1.894  1.00 22.08 ? 96  ARG A NH2 1 
ATOM   781  N N   . SER A 1 97  ? -10.091 2.565   2.188  1.00 27.16 ? 97  SER A N   1 
ATOM   782  C CA  . SER A 1 97  ? -9.628  1.187   2.091  1.00 27.80 ? 97  SER A CA  1 
ATOM   783  C C   . SER A 1 97  ? -10.482 0.367   1.132  1.00 27.61 ? 97  SER A C   1 
ATOM   784  O O   . SER A 1 97  ? -9.967  -0.297  0.226  1.00 42.29 ? 97  SER A O   1 
ATOM   785  C CB  . SER A 1 97  ? -9.659  0.558   3.485  1.00 27.31 ? 97  SER A CB  1 
ATOM   786  O OG  . SER A 1 97  ? -8.415  0.672   4.141  1.00 34.62 ? 97  SER A OG  1 
ATOM   787  N N   . ARG A 1 98  ? -11.803 0.427   1.314  1.00 36.75 ? 98  ARG A N   1 
ATOM   788  C CA  . ARG A 1 98  ? -12.725 -0.434  0.586  1.00 43.44 ? 98  ARG A CA  1 
ATOM   789  C C   . ARG A 1 98  ? -12.773 -0.127  -0.903 1.00 35.77 ? 98  ARG A C   1 
ATOM   790  O O   . ARG A 1 98  ? -13.185 -0.976  -1.690 1.00 38.60 ? 98  ARG A O   1 
ATOM   791  C CB  . ARG A 1 98  ? -14.114 -0.296  1.206  1.00 41.13 ? 98  ARG A CB  1 
ATOM   792  C CG  . ARG A 1 98  ? -14.588 -1.543  1.953  1.00 41.13 ? 98  ARG A CG  1 
ATOM   793  C CD  . ARG A 1 98  ? -15.116 -2.577  0.968  1.00 41.13 ? 98  ARG A CD  1 
ATOM   794  N NE  . ARG A 1 98  ? -16.378 -2.124  0.395  1.00 41.13 ? 98  ARG A NE  1 
ATOM   795  C CZ  . ARG A 1 98  ? -16.545 -1.741  -0.865 1.00 41.13 ? 98  ARG A CZ  1 
ATOM   796  N NH1 . ARG A 1 98  ? -15.552 -1.792  -1.745 1.00 41.13 ? 98  ARG A NH1 1 
ATOM   797  N NH2 . ARG A 1 98  ? -17.738 -1.293  -1.253 1.00 41.13 ? 98  ARG A NH2 1 
ATOM   798  N N   . GLU A 1 99  ? -12.351 1.058   -1.305 1.00 18.42 ? 99  GLU A N   1 
ATOM   799  C CA  . GLU A 1 99  ? -12.434 1.545   -2.676 1.00 29.01 ? 99  GLU A CA  1 
ATOM   800  C C   . GLU A 1 99  ? -11.109 1.469   -3.402 1.00 28.52 ? 99  GLU A C   1 
ATOM   801  O O   . GLU A 1 99  ? -11.037 1.856   -4.565 1.00 42.55 ? 99  GLU A O   1 
ATOM   802  C CB  . GLU A 1 99  ? -12.845 3.024   -2.661 1.00 29.14 ? 99  GLU A CB  1 
ATOM   803  C CG  . GLU A 1 99  ? -13.571 3.477   -1.404 1.00 31.47 ? 99  GLU A CG  1 
ATOM   804  C CD  . GLU A 1 99  ? -14.053 4.924   -1.492 1.00 45.05 ? 99  GLU A CD  1 
ATOM   805  O OE1 . GLU A 1 99  ? -14.587 5.429   -0.472 1.00 43.32 ? 99  GLU A OE1 1 
ATOM   806  O OE2 . GLU A 1 99  ? -13.821 5.571   -2.543 1.00 50.12 ? 99  GLU A OE2 1 
ATOM   807  N N   . LYS A 1 100 ? -10.059 0.994   -2.740 1.00 18.39 ? 100 LYS A N   1 
ATOM   808  C CA  . LYS A 1 100 ? -8.724  0.985   -3.312 1.00 25.01 ? 100 LYS A CA  1 
ATOM   809  C C   . LYS A 1 100 ? -8.276  -0.428  -3.658 1.00 25.54 ? 100 LYS A C   1 
ATOM   810  O O   . LYS A 1 100 ? -7.076  -0.682  -3.825 1.00 35.71 ? 100 LYS A O   1 
ATOM   811  C CB  . LYS A 1 100 ? -7.760  1.544   -2.259 1.00 37.35 ? 100 LYS A CB  1 
ATOM   812  C CG  . LYS A 1 100 ? -7.854  3.033   -1.886 1.00 28.32 ? 100 LYS A CG  1 
ATOM   813  C CD  . LYS A 1 100 ? -7.283  4.058   -2.815 1.00 19.89 ? 100 LYS A CD  1 
ATOM   814  C CE  . LYS A 1 100 ? -7.503  5.441   -2.186 1.00 11.00 ? 100 LYS A CE  1 
ATOM   815  N NZ  . LYS A 1 100 ? -6.886  6.516   -3.007 1.00 22.14 ? 100 LYS A NZ  1 
ATOM   816  N N   . GLY A 1 101 ? -9.212  -1.351  -3.791 1.00 34.19 ? 101 GLY A N   1 
ATOM   817  C CA  . GLY A 1 101 ? -8.873  -2.677  -4.227 1.00 31.07 ? 101 GLY A CA  1 
ATOM   818  C C   . GLY A 1 101 ? -8.335  -3.488  -3.064 1.00 28.30 ? 101 GLY A C   1 
ATOM   819  O O   . GLY A 1 101 ? -8.375  -3.060  -1.905 1.00 39.27 ? 101 GLY A O   1 
ATOM   820  N N   . PRO A 1 102 ? -7.836  -4.689  -3.357 1.00 38.69 ? 102 PRO A N   1 
ATOM   821  C CA  . PRO A 1 102 ? -7.335  -5.568  -2.295 1.00 68.29 ? 102 PRO A CA  1 
ATOM   822  C C   . PRO A 1 102 ? -6.150  -4.941  -1.575 1.00 24.67 ? 102 PRO A C   1 
ATOM   823  O O   . PRO A 1 102 ? -5.388  -4.159  -2.150 1.00 27.56 ? 102 PRO A O   1 
ATOM   824  C CB  . PRO A 1 102 ? -6.926  -6.835  -3.050 1.00 39.55 ? 102 PRO A CB  1 
ATOM   825  C CG  . PRO A 1 102 ? -7.730  -6.793  -4.307 1.00 40.61 ? 102 PRO A CG  1 
ATOM   826  C CD  . PRO A 1 102 ? -7.800  -5.346  -4.675 1.00 49.47 ? 102 PRO A CD  1 
ATOM   827  N N   . TYR A 1 103 ? -6.000  -5.292  -0.298 1.00 26.92 ? 103 TYR A N   1 
ATOM   828  C CA  . TYR A 1 103 ? -4.851  -4.827  0.464  1.00 28.12 ? 103 TYR A CA  1 
ATOM   829  C C   . TYR A 1 103 ? -3.554  -5.299  -0.187 1.00 22.14 ? 103 TYR A C   1 
ATOM   830  O O   . TYR A 1 103 ? -3.516  -6.304  -0.901 1.00 27.72 ? 103 TYR A O   1 
ATOM   831  C CB  . TYR A 1 103 ? -4.945  -5.341  1.895  1.00 21.91 ? 103 TYR A CB  1 
ATOM   832  C CG  . TYR A 1 103 ? -6.060  -4.690  2.664  1.00 47.65 ? 103 TYR A CG  1 
ATOM   833  C CD1 . TYR A 1 103 ? -7.175  -5.431  3.046  1.00 33.87 ? 103 TYR A CD1 1 
ATOM   834  C CD2 . TYR A 1 103 ? -6.027  -3.338  2.982  1.00 22.36 ? 103 TYR A CD2 1 
ATOM   835  C CE1 . TYR A 1 103 ? -8.224  -4.849  3.745  1.00 41.61 ? 103 TYR A CE1 1 
ATOM   836  C CE2 . TYR A 1 103 ? -7.073  -2.739  3.688  1.00 30.10 ? 103 TYR A CE2 1 
ATOM   837  C CZ  . TYR A 1 103 ? -8.167  -3.498  4.064  1.00 66.35 ? 103 TYR A CZ  1 
ATOM   838  O OH  . TYR A 1 103 ? -9.210  -2.924  4.759  1.00 70.15 ? 103 TYR A OH  1 
ATOM   839  N N   . ALA A 1 104 ? -2.489  -4.542  0.034  1.00 15.55 ? 104 ALA A N   1 
ATOM   840  C CA  . ALA A 1 104 ? -1.186  -4.907  -0.509 1.00 13.78 ? 104 ALA A CA  1 
ATOM   841  C C   . ALA A 1 104 ? -0.415  -5.824  0.428  1.00 18.30 ? 104 ALA A C   1 
ATOM   842  O O   . ALA A 1 104 ? 0.316   -6.709  -0.033 1.00 29.85 ? 104 ALA A O   1 
ATOM   843  C CB  . ALA A 1 104 ? -0.358  -3.654  -0.810 1.00 17.72 ? 104 ALA A CB  1 
ATOM   844  N N   . ALA A 1 105 ? -0.593  -5.640  1.731  1.00 18.71 ? 105 ALA A N   1 
ATOM   845  C CA  . ALA A 1 105 ? 0.114   -6.410  2.734  1.00 21.95 ? 105 ALA A CA  1 
ATOM   846  C C   . ALA A 1 105 ? -0.791  -6.586  3.936  1.00 22.40 ? 105 ALA A C   1 
ATOM   847  O O   . ALA A 1 105 ? -1.728  -5.815  4.161  1.00 21.58 ? 105 ALA A O   1 
ATOM   848  C CB  . ALA A 1 105 ? 1.420   -5.738  3.159  1.00 19.52 ? 105 ALA A CB  1 
ATOM   849  N N   . LYS A 1 106 ? -0.480  -7.613  4.711  1.00 27.94 ? 106 LYS A N   1 
ATOM   850  C CA  . LYS A 1 106 ? -1.191  -7.940  5.930  1.00 28.74 ? 106 LYS A CA  1 
ATOM   851  C C   . LYS A 1 106 ? -0.226  -8.518  6.938  1.00 26.89 ? 106 LYS A C   1 
ATOM   852  O O   . LYS A 1 106 ? 0.664   -9.291  6.582  1.00 39.59 ? 106 LYS A O   1 
ATOM   853  C CB  . LYS A 1 106 ? -2.270  -9.001  5.643  1.00 25.05 ? 106 LYS A CB  1 
ATOM   854  C CG  . LYS A 1 106 ? -3.144  -9.404  6.838  1.00 26.81 ? 106 LYS A CG  1 
ATOM   855  C CD  . LYS A 1 106 ? -4.264  -8.473  7.198  1.00 36.46 ? 106 LYS A CD  1 
ATOM   856  C CE  . LYS A 1 106 ? -5.574  -9.261  7.302  1.00 45.45 ? 106 LYS A CE  1 
ATOM   857  N NZ  . LYS A 1 106 ? -5.717  -9.924  8.635  1.00 33.51 ? 106 LYS A NZ  1 
ATOM   858  N N   . THR A 1 107 ? -0.416  -8.148  8.195  1.00 25.06 ? 107 THR A N   1 
ATOM   859  C CA  . THR A 1 107 ? 0.390   -8.684  9.271  1.00 23.90 ? 107 THR A CA  1 
ATOM   860  C C   . THR A 1 107 ? -0.487  -9.629  10.081 1.00 33.37 ? 107 THR A C   1 
ATOM   861  O O   . THR A 1 107 ? -1.675  -9.810  9.794  1.00 25.89 ? 107 THR A O   1 
ATOM   862  C CB  . THR A 1 107 ? 0.980   -7.561  10.129 1.00 30.27 ? 107 THR A CB  1 
ATOM   863  O OG1 . THR A 1 107 ? -0.068  -6.702  10.590 1.00 28.33 ? 107 THR A OG1 1 
ATOM   864  C CG2 . THR A 1 107 ? 1.998   -6.749  9.333  1.00 23.90 ? 107 THR A CG2 1 
ATOM   865  N N   . ASP A 1 108 ? 0.095   -10.221 11.114 1.00 36.27 ? 108 ASP A N   1 
ATOM   866  C CA  . ASP A 1 108 ? -0.599  -11.225 11.895 1.00 28.56 ? 108 ASP A CA  1 
ATOM   867  C C   . ASP A 1 108 ? -0.848  -10.785 13.320 1.00 27.93 ? 108 ASP A C   1 
ATOM   868  O O   . ASP A 1 108 ? -1.537  -11.499 14.057 1.00 30.59 ? 108 ASP A O   1 
ATOM   869  C CB  . ASP A 1 108 ? 0.179   -12.551 11.898 1.00 26.00 ? 108 ASP A CB  1 
ATOM   870  C CG  . ASP A 1 108 ? 0.326   -13.140 10.495 1.00 28.87 ? 108 ASP A CG  1 
ATOM   871  O OD1 . ASP A 1 108 ? -0.711  -13.371 9.834  1.00 50.00 ? 108 ASP A OD1 1 
ATOM   872  O OD2 . ASP A 1 108 ? 1.478   -13.363 10.048 1.00 33.35 ? 108 ASP A OD2 1 
ATOM   873  N N   . GLY A 1 109 ? -0.332  -9.635  13.730 1.00 21.95 ? 109 GLY A N   1 
ATOM   874  C CA  . GLY A 1 109 ? -0.608  -9.171  15.072 1.00 27.08 ? 109 GLY A CA  1 
ATOM   875  C C   . GLY A 1 109 ? 0.293   -8.016  15.450 1.00 21.39 ? 109 GLY A C   1 
ATOM   876  O O   . GLY A 1 109 ? 0.993   -7.449  14.613 1.00 21.39 ? 109 GLY A O   1 
ATOM   877  N N   . VAL A 1 110 ? 0.271   -7.693  16.744 1.00 25.59 ? 110 VAL A N   1 
ATOM   878  C CA  . VAL A 1 110 ? 1.018   -6.566  17.292 1.00 21.53 ? 110 VAL A CA  1 
ATOM   879  C C   . VAL A 1 110 ? 1.544   -6.982  18.651 1.00 20.68 ? 110 VAL A C   1 
ATOM   880  O O   . VAL A 1 110 ? 0.757   -7.231  19.571 1.00 24.84 ? 110 VAL A O   1 
ATOM   881  C CB  . VAL A 1 110 ? 0.142   -5.311  17.470 1.00 23.02 ? 110 VAL A CB  1 
ATOM   882  C CG1 . VAL A 1 110 ? 0.986   -4.116  17.890 1.00 29.18 ? 110 VAL A CG1 1 
ATOM   883  C CG2 . VAL A 1 110 ? -0.684  -5.028  16.242 1.00 20.39 ? 110 VAL A CG2 1 
ATOM   884  N N   . ARG A 1 111 ? 2.859   -7.053  18.791 1.00 16.62 ? 111 ARG A N   1 
ATOM   885  C CA  . ARG A 1 111 ? 3.439   -7.229  20.110 1.00 18.57 ? 111 ARG A CA  1 
ATOM   886  C C   . ARG A 1 111 ? 3.831   -5.870  20.659 1.00 25.24 ? 111 ARG A C   1 
ATOM   887  O O   . ARG A 1 111 ? 4.098   -4.927  19.907 1.00 21.61 ? 111 ARG A O   1 
ATOM   888  C CB  . ARG A 1 111 ? 4.668   -8.141  20.100 1.00 22.64 ? 111 ARG A CB  1 
ATOM   889  C CG  . ARG A 1 111 ? 4.416   -9.593  19.783 1.00 23.31 ? 111 ARG A CG  1 
ATOM   890  C CD  . ARG A 1 111 ? 3.379   -10.236 20.693 1.00 72.90 ? 111 ARG A CD  1 
ATOM   891  N NE  . ARG A 1 111 ? 2.412   -11.004 19.914 1.00 57.11 ? 111 ARG A NE  1 
ATOM   892  C CZ  . ARG A 1 111 ? 2.684   -12.133 19.266 1.00 50.39 ? 111 ARG A CZ  1 
ATOM   893  N NH1 . ARG A 1 111 ? 3.884   -12.695 19.322 1.00 52.50 ? 111 ARG A NH1 1 
ATOM   894  N NH2 . ARG A 1 111 ? 1.729   -12.710 18.537 1.00 57.77 ? 111 ARG A NH2 1 
ATOM   895  N N   . GLN A 1 112 ? 3.847   -5.781  21.980 1.00 10.56 ? 112 GLN A N   1 
ATOM   896  C CA  . GLN A 1 112 ? 4.425   -4.661  22.699 1.00 18.05 ? 112 GLN A CA  1 
ATOM   897  C C   . GLN A 1 112 ? 5.760   -5.083  23.303 1.00 12.33 ? 112 GLN A C   1 
ATOM   898  O O   . GLN A 1 112 ? 5.899   -6.199  23.809 1.00 17.03 ? 112 GLN A O   1 
ATOM   899  C CB  . GLN A 1 112 ? 3.502   -4.152  23.802 1.00 10.50 ? 112 GLN A CB  1 
ATOM   900  C CG  . GLN A 1 112 ? 4.023   -2.885  24.453 1.00 32.82 ? 112 GLN A CG  1 
ATOM   901  C CD  . GLN A 1 112 ? 3.079   -2.329  25.483 1.00 21.69 ? 112 GLN A CD  1 
ATOM   902  O OE1 . GLN A 1 112 ? 1.995   -2.868  25.699 1.00 27.32 ? 112 GLN A OE1 1 
ATOM   903  N NE2 . GLN A 1 112 ? 3.483   -1.240  26.134 1.00 19.86 ? 112 GLN A NE2 1 
ATOM   904  N N   . VAL A 1 113 ? 6.750   -4.204  23.196 1.00 16.35 ? 113 VAL A N   1 
ATOM   905  C CA  . VAL A 1 113 ? 7.991   -4.358  23.933 1.00 21.38 ? 113 VAL A CA  1 
ATOM   906  C C   . VAL A 1 113 ? 7.721   -4.093  25.404 1.00 15.01 ? 113 VAL A C   1 
ATOM   907  O O   . VAL A 1 113 ? 6.930   -3.202  25.747 1.00 15.85 ? 113 VAL A O   1 
ATOM   908  C CB  . VAL A 1 113 ? 9.030   -3.366  23.394 1.00 28.37 ? 113 VAL A CB  1 
ATOM   909  C CG1 . VAL A 1 113 ? 10.355  -3.561  24.089 1.00 17.96 ? 113 VAL A CG1 1 
ATOM   910  C CG2 . VAL A 1 113 ? 9.152   -3.504  21.891 1.00 14.40 ? 113 VAL A CG2 1 
ATOM   911  N N   . GLN A 1 114 ? 8.349   -4.874  26.286 1.00 22.98 ? 114 GLN A N   1 
ATOM   912  C CA  . GLN A 1 114 ? 8.207   -4.585  27.705 1.00 26.78 ? 114 GLN A CA  1 
ATOM   913  C C   . GLN A 1 114 ? 8.661   -3.151  27.928 1.00 19.56 ? 114 GLN A C   1 
ATOM   914  O O   . GLN A 1 114 ? 9.817   -2.820  27.613 1.00 22.59 ? 114 GLN A O   1 
ATOM   915  C CB  . GLN A 1 114 ? 9.020   -5.517  28.590 1.00 24.50 ? 114 GLN A CB  1 
ATOM   916  C CG  . GLN A 1 114 ? 9.287   -4.910  29.973 1.00 40.10 ? 114 GLN A CG  1 
ATOM   917  C CD  . GLN A 1 114 ? 9.888   -5.896  30.962 1.00 72.57 ? 114 GLN A CD  1 
ATOM   918  O OE1 . GLN A 1 114 ? 11.088  -6.173  30.929 1.00 68.57 ? 114 GLN A OE1 1 
ATOM   919  N NE2 . GLN A 1 114 ? 9.057   -6.424  31.851 1.00 68.73 ? 114 GLN A NE2 1 
ATOM   920  N N   . PRO A 1 115 ? 7.795   -2.269  28.422 1.00 23.19 ? 115 PRO A N   1 
ATOM   921  C CA  . PRO A 1 115 ? 8.167   -0.857  28.522 1.00 24.59 ? 115 PRO A CA  1 
ATOM   922  C C   . PRO A 1 115 ? 9.227   -0.649  29.586 1.00 24.66 ? 115 PRO A C   1 
ATOM   923  O O   . PRO A 1 115 ? 9.415   -1.463  30.495 1.00 27.55 ? 115 PRO A O   1 
ATOM   924  C CB  . PRO A 1 115 ? 6.859   -0.166  28.921 1.00 21.42 ? 115 PRO A CB  1 
ATOM   925  C CG  . PRO A 1 115 ? 6.044   -1.235  29.539 1.00 28.24 ? 115 PRO A CG  1 
ATOM   926  C CD  . PRO A 1 115 ? 6.421   -2.523  28.882 1.00 22.86 ? 115 PRO A CD  1 
ATOM   927  N N   . TYR A 1 116 ? 9.920   0.475   29.458 1.00 23.38 ? 116 TYR A N   1 
ATOM   928  C CA  . TYR A 1 116 ? 10.875  0.917   30.461 1.00 25.57 ? 116 TYR A CA  1 
ATOM   929  C C   . TYR A 1 116 ? 11.983  -0.119  30.639 1.00 20.44 ? 116 TYR A C   1 
ATOM   930  O O   . TYR A 1 116 ? 12.446  -0.390  31.749 1.00 27.41 ? 116 TYR A O   1 
ATOM   931  C CB  . TYR A 1 116 ? 10.170  1.220   31.784 1.00 20.48 ? 116 TYR A CB  1 
ATOM   932  C CG  . TYR A 1 116 ? 8.969   2.132   31.637 1.00 32.12 ? 116 TYR A CG  1 
ATOM   933  C CD1 . TYR A 1 116 ? 9.110   3.428   31.151 1.00 31.88 ? 116 TYR A CD1 1 
ATOM   934  C CD2 . TYR A 1 116 ? 7.702   1.722   32.052 1.00 21.29 ? 116 TYR A CD2 1 
ATOM   935  C CE1 . TYR A 1 116 ? 8.017   4.277   31.038 1.00 35.16 ? 116 TYR A CE1 1 
ATOM   936  C CE2 . TYR A 1 116 ? 6.598   2.572   31.946 1.00 24.18 ? 116 TYR A CE2 1 
ATOM   937  C CZ  . TYR A 1 116 ? 6.769   3.845   31.443 1.00 41.93 ? 116 TYR A CZ  1 
ATOM   938  O OH  . TYR A 1 116 ? 5.690   4.684   31.337 1.00 42.52 ? 116 TYR A OH  1 
ATOM   939  N N   . ASN A 1 117 ? 12.408  -0.699  29.526 1.00 17.38 ? 117 ASN A N   1 
ATOM   940  C CA  . ASN A 1 117 ? 13.363  -1.798  29.540 1.00 19.65 ? 117 ASN A CA  1 
ATOM   941  C C   . ASN A 1 117 ? 14.188  -1.632  28.269 1.00 18.29 ? 117 ASN A C   1 
ATOM   942  O O   . ASN A 1 117 ? 13.711  -1.953  27.178 1.00 20.94 ? 117 ASN A O   1 
ATOM   943  C CB  . ASN A 1 117 ? 12.639  -3.141  29.604 1.00 16.42 ? 117 ASN A CB  1 
ATOM   944  C CG  . ASN A 1 117 ? 13.579  -4.318  29.754 1.00 20.81 ? 117 ASN A CG  1 
ATOM   945  O OD1 . ASN A 1 117 ? 14.691  -4.325  29.222 1.00 22.83 ? 117 ASN A OD1 1 
ATOM   946  N ND2 . ASN A 1 117 ? 13.141  -5.317  30.507 1.00 40.56 ? 117 ASN A ND2 1 
ATOM   947  N N   . GLU A 1 118 ? 15.409  -1.113  28.411 1.00 16.47 ? 118 GLU A N   1 
ATOM   948  C CA  . GLU A 1 118 ? 16.221  -0.816  27.234 1.00 17.08 ? 118 GLU A CA  1 
ATOM   949  C C   . GLU A 1 118 ? 16.533  -2.076  26.435 1.00 17.77 ? 118 GLU A C   1 
ATOM   950  O O   . GLU A 1 118 ? 16.302  -2.133  25.221 1.00 15.36 ? 118 GLU A O   1 
ATOM   951  C CB  . GLU A 1 118 ? 17.515  -0.126  27.663 1.00 27.54 ? 118 GLU A CB  1 
ATOM   952  C CG  . GLU A 1 118 ? 18.470  0.128   26.498 1.00 27.54 ? 118 GLU A CG  1 
ATOM   953  C CD  . GLU A 1 118 ? 19.643  1.034   26.853 1.00 27.54 ? 118 GLU A CD  1 
ATOM   954  O OE1 . GLU A 1 118 ? 19.395  2.162   27.347 1.00 27.54 ? 118 GLU A OE1 1 
ATOM   955  O OE2 . GLU A 1 118 ? 20.809  0.621   26.644 1.00 27.54 ? 118 GLU A OE2 1 
ATOM   956  N N   . GLY A 1 119 ? 16.981  -3.127  27.117 1.00 20.34 ? 119 GLY A N   1 
ATOM   957  C CA  . GLY A 1 119 ? 17.356  -4.340  26.411 1.00 16.90 ? 119 GLY A CA  1 
ATOM   958  C C   . GLY A 1 119 ? 16.195  -4.958  25.662 1.00 16.69 ? 119 GLY A C   1 
ATOM   959  O O   . GLY A 1 119 ? 16.370  -5.488  24.560 1.00 23.08 ? 119 GLY A O   1 
ATOM   960  N N   . ALA A 1 120 ? 14.988  -4.872  26.230 1.00 17.11 ? 120 ALA A N   1 
ATOM   961  C CA  . ALA A 1 120 ? 13.831  -5.418  25.535 1.00 15.35 ? 120 ALA A CA  1 
ATOM   962  C C   . ALA A 1 120 ? 13.610  -4.670  24.228 1.00 16.46 ? 120 ALA A C   1 
ATOM   963  O O   . ALA A 1 120 ? 13.283  -5.273  23.197 1.00 20.40 ? 120 ALA A O   1 
ATOM   964  C CB  . ALA A 1 120 ? 12.588  -5.342  26.422 1.00 21.56 ? 120 ALA A CB  1 
ATOM   965  N N   . LEU A 1 121 ? 13.793  -3.353  24.251 1.00 20.17 ? 121 LEU A N   1 
ATOM   966  C CA  . LEU A 1 121 ? 13.639  -2.594  23.026 1.00 16.76 ? 121 LEU A CA  1 
ATOM   967  C C   . LEU A 1 121 ? 14.767  -2.922  22.061 1.00 18.15 ? 121 LEU A C   1 
ATOM   968  O O   . LEU A 1 121 ? 14.531  -3.107  20.860 1.00 14.94 ? 121 LEU A O   1 
ATOM   969  C CB  . LEU A 1 121 ? 13.632  -1.099  23.333 1.00 14.94 ? 121 LEU A CB  1 
ATOM   970  C CG  . LEU A 1 121 ? 13.565  -0.214  22.091 1.00 20.82 ? 121 LEU A CG  1 
ATOM   971  C CD1 . LEU A 1 121 ? 12.279  -0.534  21.335 1.00 17.42 ? 121 LEU A CD1 1 
ATOM   972  C CD2 . LEU A 1 121 ? 13.644  1.250   22.465 1.00 18.09 ? 121 LEU A CD2 1 
ATOM   973  N N   . LEU A 1 122 ? 16.005  -3.013  22.573 1.00 14.78 ? 122 LEU A N   1 
ATOM   974  C CA  . LEU A 1 122 ? 17.125  -3.392  21.719 1.00 21.68 ? 122 LEU A CA  1 
ATOM   975  C C   . LEU A 1 122 ? 16.919  -4.776  21.115 1.00 14.78 ? 122 LEU A C   1 
ATOM   976  O O   . LEU A 1 122 ? 17.194  -4.988  19.926 1.00 16.05 ? 122 LEU A O   1 
ATOM   977  C CB  . LEU A 1 122 ? 18.438  -3.350  22.494 1.00 15.63 ? 122 LEU A CB  1 
ATOM   978  C CG  . LEU A 1 122 ? 18.852  -2.012  23.098 1.00 16.78 ? 122 LEU A CG  1 
ATOM   979  C CD1 . LEU A 1 122 ? 20.139  -2.215  23.861 1.00 14.91 ? 122 LEU A CD1 1 
ATOM   980  C CD2 . LEU A 1 122 ? 18.958  -0.896  22.072 1.00 21.17 ? 122 LEU A CD2 1 
ATOM   981  N N   . TYR A 1 123 ? 16.418  -5.728  21.911 1.00 12.63 ? 123 TYR A N   1 
ATOM   982  C CA  . TYR A 1 123 ? 16.163  -7.066  21.380 1.00 14.34 ? 123 TYR A CA  1 
ATOM   983  C C   . TYR A 1 123 ? 15.183  -7.011  20.218 1.00 12.44 ? 123 TYR A C   1 
ATOM   984  O O   . TYR A 1 123 ? 15.391  -7.666  19.187 1.00 13.95 ? 123 TYR A O   1 
ATOM   985  C CB  . TYR A 1 123 ? 15.616  -7.989  22.473 1.00 15.87 ? 123 TYR A CB  1 
ATOM   986  C CG  . TYR A 1 123 ? 15.347  -9.394  21.973 1.00 19.36 ? 123 TYR A CG  1 
ATOM   987  C CD1 . TYR A 1 123 ? 16.390  -10.284 21.727 1.00 29.96 ? 123 TYR A CD1 1 
ATOM   988  C CD2 . TYR A 1 123 ? 14.043  -9.819  21.711 1.00 27.15 ? 123 TYR A CD2 1 
ATOM   989  C CE1 . TYR A 1 123 ? 16.142  -11.559 21.257 1.00 57.50 ? 123 TYR A CE1 1 
ATOM   990  C CE2 . TYR A 1 123 ? 13.790  -11.087 21.234 1.00 43.56 ? 123 TYR A CE2 1 
ATOM   991  C CZ  . TYR A 1 123 ? 14.843  -11.953 21.011 1.00 36.00 ? 123 TYR A CZ  1 
ATOM   992  O OH  . TYR A 1 123 ? 14.596  -13.223 20.538 1.00 74.76 ? 123 TYR A OH  1 
ATOM   993  N N   . SER A 1 124 ? 14.105  -6.233  20.370 1.00 16.82 ? 124 SER A N   1 
ATOM   994  C CA  . SER A 1 124 ? 13.122  -6.113  19.300 1.00 15.03 ? 124 SER A CA  1 
ATOM   995  C C   . SER A 1 124 ? 13.725  -5.429  18.078 1.00 15.97 ? 124 SER A C   1 
ATOM   996  O O   . SER A 1 124 ? 13.536  -5.898  16.946 1.00 18.52 ? 124 SER A O   1 
ATOM   997  C CB  . SER A 1 124 ? 11.884  -5.358  19.798 1.00 18.44 ? 124 SER A CB  1 
ATOM   998  O OG  . SER A 1 124 ? 11.229  -6.069  20.833 1.00 24.49 ? 124 SER A OG  1 
ATOM   999  N N   . ILE A 1 125 ? 14.468  -4.331  18.281 1.00 15.05 ? 125 ILE A N   1 
ATOM   1000 C CA  . ILE A 1 125 ? 15.056  -3.633  17.138 1.00 15.05 ? 125 ILE A CA  1 
ATOM   1001 C C   . ILE A 1 125 ? 15.989  -4.560  16.376 1.00 15.05 ? 125 ILE A C   1 
ATOM   1002 O O   . ILE A 1 125 ? 16.054  -4.518  15.140 1.00 18.78 ? 125 ILE A O   1 
ATOM   1003 C CB  . ILE A 1 125 ? 15.819  -2.368  17.581 1.00 15.05 ? 125 ILE A CB  1 
ATOM   1004 C CG1 . ILE A 1 125 ? 14.929  -1.348  18.277 1.00 15.07 ? 125 ILE A CG1 1 
ATOM   1005 C CG2 . ILE A 1 125 ? 16.466  -1.695  16.375 1.00 16.64 ? 125 ILE A CG2 1 
ATOM   1006 C CD1 . ILE A 1 125 ? 15.745  -0.263  18.995 1.00 15.05 ? 125 ILE A CD1 1 
ATOM   1007 N N   . ALA A 1 126 ? 16.693  -5.445  17.089 1.00 11.06 ? 126 ALA A N   1 
ATOM   1008 C CA  . ALA A 1 126 ? 17.542  -6.412  16.398 1.00 13.54 ? 126 ALA A CA  1 
ATOM   1009 C C   . ALA A 1 126 ? 16.738  -7.318  15.473 1.00 15.39 ? 126 ALA A C   1 
ATOM   1010 O O   . ALA A 1 126 ? 17.294  -7.878  14.524 1.00 12.87 ? 126 ALA A O   1 
ATOM   1011 C CB  . ALA A 1 126 ? 18.331  -7.240  17.417 1.00 11.06 ? 126 ALA A CB  1 
ATOM   1012 N N   . ASN A 1 127 ? 15.441  -7.463  15.722 1.00 15.02 ? 127 ASN A N   1 
ATOM   1013 C CA  . ASN A 1 127 ? 14.593  -8.305  14.893 1.00 16.84 ? 127 ASN A CA  1 
ATOM   1014 C C   . ASN A 1 127 ? 13.849  -7.531  13.821 1.00 18.15 ? 127 ASN A C   1 
ATOM   1015 O O   . ASN A 1 127 ? 13.563  -8.095  12.760 1.00 15.89 ? 127 ASN A O   1 
ATOM   1016 C CB  . ASN A 1 127 ? 13.598  -9.069  15.777 1.00 20.70 ? 127 ASN A CB  1 
ATOM   1017 C CG  . ASN A 1 127 ? 14.276  -10.178 16.555 1.00 41.54 ? 127 ASN A CG  1 
ATOM   1018 O OD1 . ASN A 1 127 ? 14.488  -10.078 17.766 1.00 32.95 ? 127 ASN A OD1 1 
ATOM   1019 N ND2 . ASN A 1 127 ? 14.653  -11.235 15.849 1.00 31.86 ? 127 ASN A ND2 1 
ATOM   1020 N N   . GLN A 1 128 ? 13.566  -6.243  14.051 1.00 15.19 ? 128 GLN A N   1 
ATOM   1021 C CA  . GLN A 1 128 ? 12.777  -5.448  13.118 1.00 15.19 ? 128 GLN A CA  1 
ATOM   1022 C C   . GLN A 1 128 ? 12.673  -4.001  13.578 1.00 15.19 ? 128 GLN A C   1 
ATOM   1023 O O   . GLN A 1 128 ? 12.923  -3.711  14.754 1.00 16.04 ? 128 GLN A O   1 
ATOM   1024 C CB  . GLN A 1 128 ? 11.381  -6.043  12.982 1.00 16.85 ? 128 GLN A CB  1 
ATOM   1025 C CG  . GLN A 1 128 ? 10.562  -5.908  14.223 1.00 19.07 ? 128 GLN A CG  1 
ATOM   1026 C CD  . GLN A 1 128 ? 9.403   -6.841  14.198 1.00 18.06 ? 128 GLN A CD  1 
ATOM   1027 O OE1 . GLN A 1 128 ? 8.411   -6.608  13.509 1.00 21.64 ? 128 GLN A OE1 1 
ATOM   1028 N NE2 . GLN A 1 128 ? 9.526   -7.936  14.924 1.00 17.49 ? 128 GLN A NE2 1 
ATOM   1029 N N   . PRO A 1 129 ? 12.330  -3.065  12.693 1.00 16.17 ? 129 PRO A N   1 
ATOM   1030 C CA  . PRO A 1 129 ? 12.018  -1.708  13.159 1.00 13.19 ? 129 PRO A CA  1 
ATOM   1031 C C   . PRO A 1 129 ? 10.826  -1.742  14.108 1.00 13.03 ? 129 PRO A C   1 
ATOM   1032 O O   . PRO A 1 129 ? 9.884   -2.518  13.927 1.00 10.71 ? 129 PRO A O   1 
ATOM   1033 C CB  . PRO A 1 129 ? 11.692  -0.956  11.866 1.00 13.19 ? 129 PRO A CB  1 
ATOM   1034 C CG  . PRO A 1 129 ? 12.472  -1.707  10.793 1.00 10.34 ? 129 PRO A CG  1 
ATOM   1035 C CD  . PRO A 1 129 ? 12.384  -3.154  11.221 1.00 10.34 ? 129 PRO A CD  1 
ATOM   1036 N N   . VAL A 1 130 ? 10.853  -0.873  15.111 1.00 12.87 ? 130 VAL A N   1 
ATOM   1037 C CA  . VAL A 1 130 ? 9.884   -0.901  16.202 1.00 12.26 ? 130 VAL A CA  1 
ATOM   1038 C C   . VAL A 1 130 ? 9.259   0.481   16.287 1.00 12.26 ? 130 VAL A C   1 
ATOM   1039 O O   . VAL A 1 130 ? 9.948   1.494   16.150 1.00 12.26 ? 130 VAL A O   1 
ATOM   1040 C CB  . VAL A 1 130 ? 10.552  -1.295  17.547 1.00 17.36 ? 130 VAL A CB  1 
ATOM   1041 C CG1 . VAL A 1 130 ? 9.559   -1.243  18.732 1.00 12.26 ? 130 VAL A CG1 1 
ATOM   1042 C CG2 . VAL A 1 130 ? 11.209  -2.680  17.436 1.00 13.69 ? 130 VAL A CG2 1 
ATOM   1043 N N   . SER A 1 131 ? 7.966   0.535   16.547 1.00 15.27 ? 131 SER A N   1 
ATOM   1044 C CA  . SER A 1 131 ? 7.338   1.821   16.772 1.00 13.16 ? 131 SER A CA  1 
ATOM   1045 C C   . SER A 1 131 ? 7.630   2.229   18.197 1.00 13.16 ? 131 SER A C   1 
ATOM   1046 O O   . SER A 1 131 ? 7.431   1.433   19.117 1.00 14.12 ? 131 SER A O   1 
ATOM   1047 C CB  . SER A 1 131 ? 5.832   1.743   16.549 1.00 13.45 ? 131 SER A CB  1 
ATOM   1048 O OG  . SER A 1 131 ? 5.213   2.907   17.059 1.00 22.71 ? 131 SER A OG  1 
ATOM   1049 N N   . VAL A 1 132 ? 8.162   3.438   18.383 1.00 14.33 ? 132 VAL A N   1 
ATOM   1050 C CA  . VAL A 1 132 ? 8.499   3.908   19.718 1.00 15.26 ? 132 VAL A CA  1 
ATOM   1051 C C   . VAL A 1 132 ? 7.941   5.314   19.854 1.00 15.68 ? 132 VAL A C   1 
ATOM   1052 O O   . VAL A 1 132 ? 7.585   5.963   18.867 1.00 14.33 ? 132 VAL A O   1 
ATOM   1053 C CB  . VAL A 1 132 ? 10.021  3.890   19.994 1.00 14.33 ? 132 VAL A CB  1 
ATOM   1054 C CG1 . VAL A 1 132 ? 10.567  2.464   19.874 1.00 14.33 ? 132 VAL A CG1 1 
ATOM   1055 C CG2 . VAL A 1 132 ? 10.759  4.834   19.054 1.00 14.33 ? 132 VAL A CG2 1 
ATOM   1056 N N   . VAL A 1 133 ? 7.858   5.786   21.090 1.00 16.35 ? 133 VAL A N   1 
ATOM   1057 C CA  . VAL A 1 133 ? 7.375   7.134   21.330 1.00 18.68 ? 133 VAL A CA  1 
ATOM   1058 C C   . VAL A 1 133 ? 8.428   7.897   22.116 1.00 16.96 ? 133 VAL A C   1 
ATOM   1059 O O   . VAL A 1 133 ? 9.313   7.317   22.750 1.00 15.78 ? 133 VAL A O   1 
ATOM   1060 C CB  . VAL A 1 133 ? 6.017   7.142   22.061 1.00 19.87 ? 133 VAL A CB  1 
ATOM   1061 C CG1 . VAL A 1 133 ? 4.951   6.454   21.206 1.00 18.71 ? 133 VAL A CG1 1 
ATOM   1062 C CG2 . VAL A 1 133 ? 6.138   6.467   23.437 1.00 15.78 ? 133 VAL A CG2 1 
ATOM   1063 N N   . LEU A 1 134 ? 8.338   9.218   22.040 1.00 19.36 ? 134 LEU A N   1 
ATOM   1064 C CA  . LEU A 1 134 ? 9.279   10.081  22.735 1.00 19.36 ? 134 LEU A CA  1 
ATOM   1065 C C   . LEU A 1 134 ? 8.673   11.467  22.912 1.00 21.35 ? 134 LEU A C   1 
ATOM   1066 O O   . LEU A 1 134 ? 7.601   11.789  22.379 1.00 19.36 ? 134 LEU A O   1 
ATOM   1067 C CB  . LEU A 1 134 ? 10.623  10.127  22.012 1.00 19.36 ? 134 LEU A CB  1 
ATOM   1068 C CG  . LEU A 1 134 ? 10.637  10.432  20.510 1.00 20.29 ? 134 LEU A CG  1 
ATOM   1069 C CD1 . LEU A 1 134 ? 10.308  11.885  20.191 1.00 32.11 ? 134 LEU A CD1 1 
ATOM   1070 C CD2 . LEU A 1 134 ? 11.981  10.044  19.906 1.00 33.85 ? 134 LEU A CD2 1 
ATOM   1071 N N   . GLU A 1 135 ? 9.358   12.262  23.722 1.00 24.01 ? 135 GLU A N   1 
ATOM   1072 C CA  . GLU A 1 135 ? 9.043   13.669  23.909 1.00 24.01 ? 135 GLU A CA  1 
ATOM   1073 C C   . GLU A 1 135 ? 9.764   14.455  22.826 1.00 24.01 ? 135 GLU A C   1 
ATOM   1074 O O   . GLU A 1 135 ? 11.000  14.543  22.828 1.00 29.04 ? 135 GLU A O   1 
ATOM   1075 C CB  . GLU A 1 135 ? 9.518   14.172  25.265 1.00 26.28 ? 135 GLU A CB  1 
ATOM   1076 C CG  . GLU A 1 135 ? 9.148   15.620  25.505 1.00 26.28 ? 135 GLU A CG  1 
ATOM   1077 C CD  . GLU A 1 135 ? 9.966   16.286  26.618 1.00 26.28 ? 135 GLU A CD  1 
ATOM   1078 O OE1 . GLU A 1 135 ? 11.035  16.874  26.327 1.00 26.28 ? 135 GLU A OE1 1 
ATOM   1079 O OE2 . GLU A 1 135 ? 9.529   16.215  27.784 1.00 26.28 ? 135 GLU A OE2 1 
ATOM   1080 N N   . ALA A 1 136 ? 9.008   15.007  21.888 1.00 22.74 ? 136 ALA A N   1 
ATOM   1081 C CA  . ALA A 1 136 ? 9.603   15.796  20.831 1.00 20.76 ? 136 ALA A CA  1 
ATOM   1082 C C   . ALA A 1 136 ? 9.334   17.285  21.002 1.00 19.62 ? 136 ALA A C   1 
ATOM   1083 O O   . ALA A 1 136 ? 9.798   18.085  20.182 1.00 27.32 ? 136 ALA A O   1 
ATOM   1084 C CB  . ALA A 1 136 ? 9.100   15.317  19.466 1.00 19.62 ? 136 ALA A CB  1 
ATOM   1085 N N   . ALA A 1 137 ? 8.620   17.680  22.061 1.00 19.87 ? 137 ALA A N   1 
ATOM   1086 C CA  . ALA A 1 137 ? 8.204   19.071  22.206 1.00 35.26 ? 137 ALA A CA  1 
ATOM   1087 C C   . ALA A 1 137 ? 9.362   19.978  22.579 1.00 26.63 ? 137 ALA A C   1 
ATOM   1088 O O   . ALA A 1 137 ? 9.342   21.167  22.245 1.00 27.54 ? 137 ALA A O   1 
ATOM   1089 C CB  . ALA A 1 137 ? 7.101   19.190  23.254 1.00 26.21 ? 137 ALA A CB  1 
ATOM   1090 N N   . GLY A 1 138 ? 10.397  19.436  23.216 1.00 20.08 ? 138 GLY A N   1 
ATOM   1091 C CA  . GLY A 1 138 ? 11.501  20.269  23.649 1.00 17.90 ? 138 GLY A CA  1 
ATOM   1092 C C   . GLY A 1 138 ? 12.263  20.840  22.467 1.00 26.90 ? 138 GLY A C   1 
ATOM   1093 O O   . GLY A 1 138 ? 12.529  20.156  21.480 1.00 23.29 ? 138 GLY A O   1 
ATOM   1094 N N   . LYS A 1 139 ? 12.609  22.125  22.573 1.00 26.61 ? 139 LYS A N   1 
ATOM   1095 C CA  . LYS A 1 139 ? 13.301  22.800  21.483 1.00 29.57 ? 139 LYS A CA  1 
ATOM   1096 C C   . LYS A 1 139 ? 14.570  22.064  21.097 1.00 23.27 ? 139 LYS A C   1 
ATOM   1097 O O   . LYS A 1 139 ? 14.989  22.118  19.935 1.00 24.90 ? 139 LYS A O   1 
ATOM   1098 C CB  . LYS A 1 139 ? 13.636  24.239  21.880 1.00 38.03 ? 139 LYS A CB  1 
ATOM   1099 C CG  . LYS A 1 139 ? 13.486  25.269  20.760 1.00 38.03 ? 139 LYS A CG  1 
ATOM   1100 C CD  . LYS A 1 139 ? 11.995  25.514  20.388 1.00 38.03 ? 139 LYS A CD  1 
ATOM   1101 C CE  . LYS A 1 139 ? 11.772  25.956  18.913 1.00 38.03 ? 139 LYS A CE  1 
ATOM   1102 N NZ  . LYS A 1 139 ? 11.724  24.843  17.902 1.00 38.03 ? 139 LYS A NZ  1 
ATOM   1103 N N   . ASP A 1 140 ? 15.200  21.372  22.054 1.00 24.50 ? 140 ASP A N   1 
ATOM   1104 C CA  . ASP A 1 140 ? 16.422  20.637  21.741 1.00 26.50 ? 140 ASP A CA  1 
ATOM   1105 C C   . ASP A 1 140 ? 16.152  19.530  20.741 1.00 24.70 ? 140 ASP A C   1 
ATOM   1106 O O   . ASP A 1 140 ? 16.945  19.311  19.816 1.00 24.50 ? 140 ASP A O   1 
ATOM   1107 C CB  . ASP A 1 140 ? 17.024  20.032  23.008 1.00 28.49 ? 140 ASP A CB  1 
ATOM   1108 C CG  . ASP A 1 140 ? 17.553  21.067  23.948 1.00 45.93 ? 140 ASP A CG  1 
ATOM   1109 O OD1 . ASP A 1 140 ? 18.693  21.524  23.730 1.00 31.55 ? 140 ASP A OD1 1 
ATOM   1110 O OD2 . ASP A 1 140 ? 16.830  21.426  24.900 1.00 30.78 ? 140 ASP A OD2 1 
ATOM   1111 N N   . PHE A 1 141 ? 15.049  18.802  20.922 1.00 18.95 ? 141 PHE A N   1 
ATOM   1112 C CA  . PHE A 1 141 ? 14.692  17.791  19.939 1.00 18.95 ? 141 PHE A CA  1 
ATOM   1113 C C   . PHE A 1 141 ? 14.254  18.437  18.633 1.00 21.07 ? 141 PHE A C   1 
ATOM   1114 O O   . PHE A 1 141 ? 14.648  17.989  17.551 1.00 23.54 ? 141 PHE A O   1 
ATOM   1115 C CB  . PHE A 1 141 ? 13.586  16.884  20.489 1.00 21.72 ? 141 PHE A CB  1 
ATOM   1116 C CG  . PHE A 1 141 ? 13.273  15.710  19.611 1.00 19.05 ? 141 PHE A CG  1 
ATOM   1117 C CD1 . PHE A 1 141 ? 12.408  15.829  18.546 1.00 20.76 ? 141 PHE A CD1 1 
ATOM   1118 C CD2 . PHE A 1 141 ? 13.838  14.471  19.865 1.00 24.03 ? 141 PHE A CD2 1 
ATOM   1119 C CE1 . PHE A 1 141 ? 12.122  14.733  17.740 1.00 24.60 ? 141 PHE A CE1 1 
ATOM   1120 C CE2 . PHE A 1 141 ? 13.556  13.363  19.056 1.00 18.95 ? 141 PHE A CE2 1 
ATOM   1121 C CZ  . PHE A 1 141 ? 12.698  13.498  17.999 1.00 18.95 ? 141 PHE A CZ  1 
ATOM   1122 N N   . GLN A 1 142 ? 13.446  19.495  18.718 1.00 24.15 ? 142 GLN A N   1 
ATOM   1123 C CA  . GLN A 1 142 ? 12.948  20.140  17.511 1.00 25.34 ? 142 GLN A CA  1 
ATOM   1124 C C   . GLN A 1 142 ? 14.102  20.662  16.662 1.00 17.87 ? 142 GLN A C   1 
ATOM   1125 O O   . GLN A 1 142 ? 14.076  20.569  15.427 1.00 20.40 ? 142 GLN A O   1 
ATOM   1126 C CB  . GLN A 1 142 ? 11.988  21.270  17.892 1.00 18.40 ? 142 GLN A CB  1 
ATOM   1127 C CG  . GLN A 1 142 ? 10.775  20.798  18.705 1.00 31.35 ? 142 GLN A CG  1 
ATOM   1128 C CD  . GLN A 1 142 ? 9.557   20.557  17.871 1.00 68.47 ? 142 GLN A CD  1 
ATOM   1129 O OE1 . GLN A 1 142 ? 9.311   21.264  16.899 1.00 44.94 ? 142 GLN A OE1 1 
ATOM   1130 N NE2 . GLN A 1 142 ? 8.787   19.532  18.231 1.00 80.84 ? 142 GLN A NE2 1 
ATOM   1131 N N   . LEU A 1 143 ? 15.139  21.188  17.308 1.00 23.49 ? 143 LEU A N   1 
ATOM   1132 C CA  . LEU A 1 143 ? 16.246  21.829  16.609 1.00 23.20 ? 143 LEU A CA  1 
ATOM   1133 C C   . LEU A 1 143 ? 17.406  20.883  16.377 1.00 31.68 ? 143 LEU A C   1 
ATOM   1134 O O   . LEU A 1 143 ? 18.462  21.318  15.906 1.00 28.91 ? 143 LEU A O   1 
ATOM   1135 C CB  . LEU A 1 143 ? 16.742  23.058  17.377 1.00 25.12 ? 143 LEU A CB  1 
ATOM   1136 C CG  . LEU A 1 143 ? 15.741  24.205  17.392 1.00 29.43 ? 143 LEU A CG  1 
ATOM   1137 C CD1 . LEU A 1 143 ? 16.294  25.378  18.182 1.00 32.84 ? 143 LEU A CD1 1 
ATOM   1138 C CD2 . LEU A 1 143 ? 15.401  24.594  15.965 1.00 30.13 ? 143 LEU A CD2 1 
ATOM   1139 N N   . TYR A 1 144 ? 17.244  19.611  16.717 1.00 24.56 ? 144 TYR A N   1 
ATOM   1140 C CA  . TYR A 1 144 ? 18.338  18.662  16.596 1.00 22.87 ? 144 TYR A CA  1 
ATOM   1141 C C   . TYR A 1 144 ? 18.904  18.637  15.183 1.00 19.23 ? 144 TYR A C   1 
ATOM   1142 O O   . TYR A 1 144 ? 18.161  18.547  14.205 1.00 18.73 ? 144 TYR A O   1 
ATOM   1143 C CB  . TYR A 1 144 ? 17.816  17.282  16.979 1.00 21.23 ? 144 TYR A CB  1 
ATOM   1144 C CG  . TYR A 1 144 ? 18.735  16.158  16.612 1.00 16.95 ? 144 TYR A CG  1 
ATOM   1145 C CD1 . TYR A 1 144 ? 19.818  15.818  17.428 1.00 16.68 ? 144 TYR A CD1 1 
ATOM   1146 C CD2 . TYR A 1 144 ? 18.530  15.423  15.445 1.00 17.40 ? 144 TYR A CD2 1 
ATOM   1147 C CE1 . TYR A 1 144 ? 20.669  14.770  17.080 1.00 16.23 ? 144 TYR A CE1 1 
ATOM   1148 C CE2 . TYR A 1 144 ? 19.370  14.386  15.096 1.00 16.23 ? 144 TYR A CE2 1 
ATOM   1149 C CZ  . TYR A 1 144 ? 20.434  14.055  15.914 1.00 16.23 ? 144 TYR A CZ  1 
ATOM   1150 O OH  . TYR A 1 144 ? 21.265  13.010  15.566 1.00 16.76 ? 144 TYR A OH  1 
ATOM   1151 N N   . ARG A 1 145 ? 20.226  18.724  15.076 1.00 20.06 ? 145 ARG A N   1 
ATOM   1152 C CA  . ARG A 1 145 ? 20.921  18.647  13.799 1.00 22.48 ? 145 ARG A CA  1 
ATOM   1153 C C   . ARG A 1 145 ? 21.795  17.412  13.629 1.00 19.89 ? 145 ARG A C   1 
ATOM   1154 O O   . ARG A 1 145 ? 22.025  16.986  12.497 1.00 27.87 ? 145 ARG A O   1 
ATOM   1155 C CB  . ARG A 1 145 ? 21.711  19.939  13.552 1.00 29.14 ? 145 ARG A CB  1 
ATOM   1156 C CG  . ARG A 1 145 ? 20.789  21.164  13.388 1.00 29.80 ? 145 ARG A CG  1 
ATOM   1157 C CD  . ARG A 1 145 ? 21.498  22.538  13.316 1.00 55.07 ? 145 ARG A CD  1 
ATOM   1158 N NE  . ARG A 1 145 ? 22.751  22.570  12.567 1.00 73.65 ? 145 ARG A NE  1 
ATOM   1159 C CZ  . ARG A 1 145 ? 23.924  22.437  13.174 1.00 77.60 ? 145 ARG A CZ  1 
ATOM   1160 N NH1 . ARG A 1 145 ? 23.997  22.286  14.491 1.00 72.33 ? 145 ARG A NH1 1 
ATOM   1161 N NH2 . ARG A 1 145 ? 25.043  22.434  12.452 1.00 57.56 ? 145 ARG A NH2 1 
ATOM   1162 N N   . GLY A 1 146 ? 22.287  16.816  14.699 1.00 15.70 ? 146 GLY A N   1 
ATOM   1163 C CA  . GLY A 1 146 ? 23.132  15.653  14.529 1.00 10.63 ? 146 GLY A CA  1 
ATOM   1164 C C   . GLY A 1 146 ? 23.888  15.323  15.789 1.00 20.93 ? 146 GLY A C   1 
ATOM   1165 O O   . GLY A 1 146 ? 23.911  16.078  16.758 1.00 23.10 ? 146 GLY A O   1 
ATOM   1166 N N   . GLY A 1 147 ? 24.502  14.154  15.753 1.00 21.59 ? 147 GLY A N   1 
ATOM   1167 C CA  . GLY A 1 147 ? 25.212  13.621  16.891 1.00 18.52 ? 147 GLY A CA  1 
ATOM   1168 C C   . GLY A 1 147 ? 24.298  12.699  17.661 1.00 17.84 ? 147 GLY A C   1 
ATOM   1169 O O   . GLY A 1 147 ? 23.127  12.490  17.322 1.00 21.54 ? 147 GLY A O   1 
ATOM   1170 N N   . ILE A 1 148 ? 24.842  12.142  18.735 1.00 19.23 ? 148 ILE A N   1 
ATOM   1171 C CA  . ILE A 1 148 ? 24.046  11.289  19.607 1.00 19.09 ? 148 ILE A CA  1 
ATOM   1172 C C   . ILE A 1 148 ? 23.307  12.202  20.579 1.00 23.39 ? 148 ILE A C   1 
ATOM   1173 O O   . ILE A 1 148 ? 23.911  12.827  21.455 1.00 21.85 ? 148 ILE A O   1 
ATOM   1174 C CB  . ILE A 1 148 ? 24.897  10.238  20.321 1.00 17.96 ? 148 ILE A CB  1 
ATOM   1175 C CG1 . ILE A 1 148 ? 25.427  9.259   19.275 1.00 24.29 ? 148 ILE A CG1 1 
ATOM   1176 C CG2 . ILE A 1 148 ? 24.061  9.505   21.367 1.00 19.01 ? 148 ILE A CG2 1 
ATOM   1177 C CD1 . ILE A 1 148 ? 26.462  8.331   19.782 1.00 26.50 ? 148 ILE A CD1 1 
ATOM   1178 N N   . PHE A 1 149 ? 21.990  12.260  20.428 1.00 14.72 ? 149 PHE A N   1 
ATOM   1179 C CA  . PHE A 1 149 ? 21.165  13.199  21.167 1.00 22.53 ? 149 PHE A CA  1 
ATOM   1180 C C   . PHE A 1 149 ? 20.980  12.718  22.595 1.00 13.91 ? 149 PHE A C   1 
ATOM   1181 O O   . PHE A 1 149 ? 20.557  11.582  22.832 1.00 18.28 ? 149 PHE A O   1 
ATOM   1182 C CB  . PHE A 1 149 ? 19.802  13.321  20.489 1.00 15.26 ? 149 PHE A CB  1 
ATOM   1183 C CG  . PHE A 1 149 ? 18.905  14.373  21.085 1.00 17.36 ? 149 PHE A CG  1 
ATOM   1184 C CD1 . PHE A 1 149 ? 19.166  15.717  20.906 1.00 21.38 ? 149 PHE A CD1 1 
ATOM   1185 C CD2 . PHE A 1 149 ? 17.813  14.003  21.859 1.00 22.93 ? 149 PHE A CD2 1 
ATOM   1186 C CE1 . PHE A 1 149 ? 18.337  16.670  21.454 1.00 18.97 ? 149 PHE A CE1 1 
ATOM   1187 C CE2 . PHE A 1 149 ? 16.989  14.949  22.413 1.00 18.76 ? 149 PHE A CE2 1 
ATOM   1188 C CZ  . PHE A 1 149 ? 17.254  16.290  22.212 1.00 18.72 ? 149 PHE A CZ  1 
ATOM   1189 N N   . VAL A 1 150 ? 21.295  13.590  23.548 1.00 14.97 ? 150 VAL A N   1 
ATOM   1190 C CA  . VAL A 1 150 ? 21.171  13.273  24.963 1.00 15.11 ? 150 VAL A CA  1 
ATOM   1191 C C   . VAL A 1 150 ? 20.094  14.088  25.644 1.00 22.66 ? 150 VAL A C   1 
ATOM   1192 O O   . VAL A 1 150 ? 19.899  13.946  26.861 1.00 25.21 ? 150 VAL A O   1 
ATOM   1193 C CB  . VAL A 1 150 ? 22.523  13.458  25.679 1.00 24.49 ? 150 VAL A CB  1 
ATOM   1194 C CG1 . VAL A 1 150 ? 23.603  12.672  24.954 1.00 27.08 ? 150 VAL A CG1 1 
ATOM   1195 C CG2 . VAL A 1 150 ? 22.902  14.941  25.735 1.00 16.36 ? 150 VAL A CG2 1 
ATOM   1196 N N   . GLY A 1 151 ? 19.380  14.929  24.900 1.00 18.39 ? 151 GLY A N   1 
ATOM   1197 C CA  . GLY A 1 151 ? 18.496  15.906  25.482 1.00 14.68 ? 151 GLY A CA  1 
ATOM   1198 C C   . GLY A 1 151 ? 19.084  17.301  25.486 1.00 19.48 ? 151 GLY A C   1 
ATOM   1199 O O   . GLY A 1 151 ? 19.991  17.618  24.710 1.00 22.59 ? 151 GLY A O   1 
ATOM   1200 N N   . PRO A 1 152 ? 18.592  18.170  26.368 1.00 20.15 ? 152 PRO A N   1 
ATOM   1201 C CA  . PRO A 1 152 ? 17.582  17.955  27.407 1.00 19.96 ? 152 PRO A CA  1 
ATOM   1202 C C   . PRO A 1 152 ? 16.228  17.521  26.881 1.00 28.67 ? 152 PRO A C   1 
ATOM   1203 O O   . PRO A 1 152 ? 15.823  17.926  25.795 1.00 33.46 ? 152 PRO A O   1 
ATOM   1204 C CB  . PRO A 1 152 ? 17.456  19.347  28.053 1.00 21.58 ? 152 PRO A CB  1 
ATOM   1205 C CG  . PRO A 1 152 ? 18.768  19.984  27.832 1.00 22.93 ? 152 PRO A CG  1 
ATOM   1206 C CD  . PRO A 1 152 ? 19.173  19.519  26.460 1.00 22.97 ? 152 PRO A CD  1 
ATOM   1207 N N   . CYS A 1 153 ? 15.530  16.678  27.632 1.00 34.77 ? 153 CYS A N   1 
ATOM   1208 C CA  . CYS A 1 153 ? 14.153  16.326  27.326 1.00 34.84 ? 153 CYS A CA  1 
ATOM   1209 C C   . CYS A 1 153 ? 13.590  15.635  28.549 1.00 38.76 ? 153 CYS A C   1 
ATOM   1210 O O   . CYS A 1 153 ? 14.336  15.041  29.334 1.00 40.88 ? 153 CYS A O   1 
ATOM   1211 C CB  . CYS A 1 153 ? 14.003  15.430  26.083 1.00 29.57 ? 153 CYS A CB  1 
ATOM   1212 S SG  . CYS A 1 153 ? 15.000  13.924  25.993 1.00 32.47 ? 153 CYS A SG  1 
ATOM   1213 N N   . GLY A 1 154 ? 12.277  15.714  28.705 1.00 29.73 ? 154 GLY A N   1 
ATOM   1214 C CA  . GLY A 1 154 ? 11.592  14.955  29.723 1.00 27.60 ? 154 GLY A CA  1 
ATOM   1215 C C   . GLY A 1 154 ? 11.092  13.652  29.142 1.00 21.96 ? 154 GLY A C   1 
ATOM   1216 O O   . GLY A 1 154 ? 11.476  13.235  28.049 1.00 24.27 ? 154 GLY A O   1 
ATOM   1217 N N   A ASN A 1 155 ? 10.216  13.001  29.900 0.54 20.40 ? 155 ASN A N   1 
ATOM   1218 N N   B ASN A 1 155 ? 10.223  12.984  29.901 0.46 20.40 ? 155 ASN A N   1 
ATOM   1219 C CA  A ASN A 1 155 ? 9.606   11.743  29.499 0.54 36.87 ? 155 ASN A CA  1 
ATOM   1220 C CA  B ASN A 1 155 ? 9.613   11.734  29.460 0.46 36.87 ? 155 ASN A CA  1 
ATOM   1221 C C   A ASN A 1 155 ? 8.125   11.923  29.177 0.54 24.04 ? 155 ASN A C   1 
ATOM   1222 C C   B ASN A 1 155 ? 8.134   11.914  29.131 0.46 24.04 ? 155 ASN A C   1 
ATOM   1223 O O   A ASN A 1 155 ? 7.336   10.979  29.284 0.54 29.22 ? 155 ASN A O   1 
ATOM   1224 O O   B ASN A 1 155 ? 7.354   10.960  29.193 0.46 29.22 ? 155 ASN A O   1 
ATOM   1225 C CB  A ASN A 1 155 ? 9.813   10.696  30.592 0.54 46.60 ? 155 ASN A CB  1 
ATOM   1226 C CB  B ASN A 1 155 ? 9.801   10.637  30.506 0.46 46.60 ? 155 ASN A CB  1 
ATOM   1227 C CG  A ASN A 1 155 ? 11.190  10.796  31.236 0.54 72.17 ? 155 ASN A CG  1 
ATOM   1228 C CG  B ASN A 1 155 ? 9.319   11.050  31.881 0.46 72.17 ? 155 ASN A CG  1 
ATOM   1229 O OD1 A ASN A 1 155 ? 12.208  10.863  30.545 0.54 45.38 ? 155 ASN A OD1 1 
ATOM   1230 O OD1 B ASN A 1 155 ? 8.134   11.313  32.082 0.46 45.38 ? 155 ASN A OD1 1 
ATOM   1231 N ND2 A ASN A 1 155 ? 11.225  10.820  32.564 0.54 55.84 ? 155 ASN A ND2 1 
ATOM   1232 N ND2 B ASN A 1 155 ? 10.237  11.102  32.839 0.46 55.84 ? 155 ASN A ND2 1 
ATOM   1233 N N   . LYS A 1 156 ? 7.740   13.137  28.774 1.00 23.52 ? 156 LYS A N   1 
ATOM   1234 C CA  . LYS A 1 156 ? 6.344   13.472  28.488 1.00 24.78 ? 156 LYS A CA  1 
ATOM   1235 C C   . LYS A 1 156 ? 6.098   13.157  27.014 1.00 20.41 ? 156 LYS A C   1 
ATOM   1236 O O   . LYS A 1 156 ? 6.090   14.035  26.147 1.00 24.44 ? 156 LYS A O   1 
ATOM   1237 C CB  . LYS A 1 156 ? 6.092   14.941  28.832 1.00 40.63 ? 156 LYS A CB  1 
ATOM   1238 C CG  . LYS A 1 156 ? 4.713   15.548  28.567 1.00 73.87 ? 156 LYS A CG  1 
ATOM   1239 C CD  . LYS A 1 156 ? 3.558   14.613  28.884 1.00 81.35 ? 156 LYS A CD  1 
ATOM   1240 C CE  . LYS A 1 156 ? 2.208   15.287  28.606 1.00 28.19 ? 156 LYS A CE  1 
ATOM   1241 N NZ  . LYS A 1 156 ? 2.260   16.772  28.739 1.00 66.17 ? 156 LYS A NZ  1 
ATOM   1242 N N   . VAL A 1 157 ? 5.926   11.870  26.712 1.00 24.71 ? 157 VAL A N   1 
ATOM   1243 C CA  . VAL A 1 157 ? 5.989   11.457  25.315 1.00 17.78 ? 157 VAL A CA  1 
ATOM   1244 C C   . VAL A 1 157 ? 4.752   11.963  24.584 1.00 18.75 ? 157 VAL A C   1 
ATOM   1245 O O   . VAL A 1 157 ? 3.653   12.022  25.134 1.00 20.63 ? 157 VAL A O   1 
ATOM   1246 C CB  . VAL A 1 157 ? 6.153   9.930   25.194 1.00 17.02 ? 157 VAL A CB  1 
ATOM   1247 C CG1 . VAL A 1 157 ? 7.471   9.502   25.843 1.00 17.02 ? 157 VAL A CG1 1 
ATOM   1248 C CG2 . VAL A 1 157 ? 4.964   9.181   25.790 1.00 22.35 ? 157 VAL A CG2 1 
ATOM   1249 N N   . ASP A 1 158 ? 4.947   12.361  23.362 1.00 18.05 ? 158 ASP A N   1 
ATOM   1250 C CA  . ASP A 1 158 ? 3.929   13.033  22.569 1.00 21.80 ? 158 ASP A CA  1 
ATOM   1251 C C   . ASP A 1 158 ? 4.137   12.800  21.081 1.00 28.99 ? 158 ASP A C   1 
ATOM   1252 O O   . ASP A 1 158 ? 3.414   13.399  20.270 1.00 25.53 ? 158 ASP A O   1 
ATOM   1253 C CB  . ASP A 1 158 ? 3.905   14.519  22.918 1.00 18.05 ? 158 ASP A CB  1 
ATOM   1254 C CG  . ASP A 1 158 ? 5.258   15.171  22.771 1.00 33.69 ? 158 ASP A CG  1 
ATOM   1255 O OD1 . ASP A 1 158 ? 6.019   14.748  21.878 1.00 22.11 ? 158 ASP A OD1 1 
ATOM   1256 O OD2 . ASP A 1 158 ? 5.573   16.088  23.589 1.00 37.13 ? 158 ASP A OD2 1 
ATOM   1257 N N   . HIS A 1 159 ? 5.069   11.930  20.701 1.00 19.28 ? 159 HIS A N   1 
ATOM   1258 C CA  . HIS A 1 159 ? 5.498   11.840  19.311 1.00 13.31 ? 159 HIS A CA  1 
ATOM   1259 C C   . HIS A 1 159 ? 5.930   10.419  19.024 1.00 20.60 ? 159 HIS A C   1 
ATOM   1260 O O   . HIS A 1 159 ? 6.817   9.896   19.699 1.00 17.46 ? 159 HIS A O   1 
ATOM   1261 C CB  . HIS A 1 159 ? 6.654   12.802  19.026 1.00 13.81 ? 159 HIS A CB  1 
ATOM   1262 C CG  . HIS A 1 159 ? 7.035   12.873  17.579 1.00 21.83 ? 159 HIS A CG  1 
ATOM   1263 N ND1 . HIS A 1 159 ? 6.121   13.119  16.576 1.00 23.08 ? 159 HIS A ND1 1 
ATOM   1264 C CD2 . HIS A 1 159 ? 8.231   12.703  16.966 1.00 17.74 ? 159 HIS A CD2 1 
ATOM   1265 C CE1 . HIS A 1 159 ? 6.742   13.116  15.408 1.00 24.72 ? 159 HIS A CE1 1 
ATOM   1266 N NE2 . HIS A 1 159 ? 8.021   12.861  15.616 1.00 19.77 ? 159 HIS A NE2 1 
ATOM   1267 N N   . ALA A 1 160 ? 5.331   9.823   18.005 1.00 13.19 ? 160 ALA A N   1 
ATOM   1268 C CA  . ALA A 1 160 ? 5.639   8.459   17.605 1.00 12.95 ? 160 ALA A CA  1 
ATOM   1269 C C   . ALA A 1 160 ? 6.632   8.477   16.448 1.00 13.43 ? 160 ALA A C   1 
ATOM   1270 O O   . ALA A 1 160 ? 6.489   9.261   15.505 1.00 14.38 ? 160 ALA A O   1 
ATOM   1271 C CB  . ALA A 1 160 ? 4.367   7.717   17.199 1.00 12.95 ? 160 ALA A CB  1 
ATOM   1272 N N   . VAL A 1 161 ? 7.653   7.630   16.543 1.00 12.51 ? 161 VAL A N   1 
ATOM   1273 C CA  . VAL A 1 161 ? 8.725   7.556   15.559 1.00 11.19 ? 161 VAL A CA  1 
ATOM   1274 C C   . VAL A 1 161 ? 9.051   6.084   15.427 1.00 14.08 ? 161 VAL A C   1 
ATOM   1275 O O   . VAL A 1 161 ? 8.397   5.244   16.059 1.00 11.19 ? 161 VAL A O   1 
ATOM   1276 C CB  . VAL A 1 161 ? 9.969   8.350   15.986 1.00 12.84 ? 161 VAL A CB  1 
ATOM   1277 C CG1 . VAL A 1 161 ? 9.688   9.838   16.004 1.00 11.88 ? 161 VAL A CG1 1 
ATOM   1278 C CG2 . VAL A 1 161 ? 10.407  7.874   17.362 1.00 11.19 ? 161 VAL A CG2 1 
ATOM   1279 N N   . ALA A 1 162 ? 10.125  5.751   14.719 1.00 12.72 ? 162 ALA A N   1 
ATOM   1280 C CA  . ALA A 1 162 ? 10.430  4.339   14.559 1.00 12.72 ? 162 ALA A CA  1 
ATOM   1281 C C   . ALA A 1 162 ? 11.895  4.081   14.846 1.00 12.72 ? 162 ALA A C   1 
ATOM   1282 O O   . ALA A 1 162 ? 12.763  4.797   14.351 1.00 16.76 ? 162 ALA A O   1 
ATOM   1283 C CB  . ALA A 1 162 ? 10.067  3.862   13.158 1.00 12.72 ? 162 ALA A CB  1 
ATOM   1284 N N   . ALA A 1 163 ? 12.176  3.065   15.647 1.00 12.38 ? 163 ALA A N   1 
ATOM   1285 C CA  . ALA A 1 163 ? 13.548  2.675   15.899 1.00 12.38 ? 163 ALA A CA  1 
ATOM   1286 C C   . ALA A 1 163 ? 13.922  1.661   14.834 1.00 12.38 ? 163 ALA A C   1 
ATOM   1287 O O   . ALA A 1 163 ? 13.279  0.616   14.707 1.00 12.38 ? 163 ALA A O   1 
ATOM   1288 C CB  . ALA A 1 163 ? 13.702  2.085   17.295 1.00 12.38 ? 163 ALA A CB  1 
ATOM   1289 N N   . VAL A 1 164 ? 14.960  1.979   14.072 1.00 10.05 ? 164 VAL A N   1 
ATOM   1290 C CA  . VAL A 1 164 ? 15.423  1.188   12.951 1.00 10.05 ? 164 VAL A CA  1 
ATOM   1291 C C   . VAL A 1 164 ? 16.858  0.727   13.150 1.00 12.54 ? 164 VAL A C   1 
ATOM   1292 O O   . VAL A 1 164 ? 17.474  0.198   12.226 1.00 14.33 ? 164 VAL A O   1 
ATOM   1293 C CB  . VAL A 1 164 ? 15.264  1.968   11.631 1.00 13.05 ? 164 VAL A CB  1 
ATOM   1294 C CG1 . VAL A 1 164 ? 13.795  2.264   11.368 1.00 11.06 ? 164 VAL A CG1 1 
ATOM   1295 C CG2 . VAL A 1 164 ? 16.057  3.279   11.720 1.00 10.05 ? 164 VAL A CG2 1 
ATOM   1296 N N   . GLY A 1 165 ? 17.417  0.958   14.327 1.00 14.29 ? 165 GLY A N   1 
ATOM   1297 C CA  . GLY A 1 165 ? 18.749  0.475   14.591 1.00 14.29 ? 165 GLY A CA  1 
ATOM   1298 C C   . GLY A 1 165 ? 19.215  0.932   15.948 1.00 14.51 ? 165 GLY A C   1 
ATOM   1299 O O   . GLY A 1 165 ? 18.468  1.549   16.708 1.00 14.79 ? 165 GLY A O   1 
ATOM   1300 N N   . TYR A 1 166 ? 20.475  0.629   16.236 1.00 15.61 ? 166 TYR A N   1 
ATOM   1301 C CA  . TYR A 1 166 ? 21.092  1.037   17.489 1.00 15.45 ? 166 TYR A CA  1 
ATOM   1302 C C   . TYR A 1 166 ? 22.596  0.848   17.361 1.00 15.45 ? 166 TYR A C   1 
ATOM   1303 O O   . TYR A 1 166 ? 23.091  0.211   16.428 1.00 15.64 ? 166 TYR A O   1 
ATOM   1304 C CB  . TYR A 1 166 ? 20.518  0.273   18.690 1.00 15.45 ? 166 TYR A CB  1 
ATOM   1305 C CG  . TYR A 1 166 ? 20.758  -1.222  18.696 1.00 15.45 ? 166 TYR A CG  1 
ATOM   1306 C CD1 . TYR A 1 166 ? 22.004  -1.752  19.062 1.00 15.45 ? 166 TYR A CD1 1 
ATOM   1307 C CD2 . TYR A 1 166 ? 19.729  -2.113  18.374 1.00 23.33 ? 166 TYR A CD2 1 
ATOM   1308 C CE1 . TYR A 1 166 ? 22.225  -3.129  19.075 1.00 16.34 ? 166 TYR A CE1 1 
ATOM   1309 C CE2 . TYR A 1 166 ? 19.937  -3.489  18.387 1.00 21.42 ? 166 TYR A CE2 1 
ATOM   1310 C CZ  . TYR A 1 166 ? 21.190  -3.994  18.738 1.00 16.27 ? 166 TYR A CZ  1 
ATOM   1311 O OH  . TYR A 1 166 ? 21.408  -5.357  18.754 1.00 19.06 ? 166 TYR A OH  1 
ATOM   1312 N N   . GLY A 1 167 ? 23.311  1.414   18.316 1.00 20.70 ? 167 GLY A N   1 
ATOM   1313 C CA  . GLY A 1 167 ? 24.724  1.196   18.461 1.00 20.13 ? 167 GLY A CA  1 
ATOM   1314 C C   . GLY A 1 167 ? 25.069  1.108   19.928 1.00 13.36 ? 167 GLY A C   1 
ATOM   1315 O O   . GLY A 1 167 ? 24.189  1.062   20.795 1.00 18.00 ? 167 GLY A O   1 
ATOM   1316 N N   . PRO A 1 168 ? 26.361  1.048   20.236 1.00 19.95 ? 168 PRO A N   1 
ATOM   1317 C CA  . PRO A 1 168 ? 26.782  0.892   21.634 1.00 27.91 ? 168 PRO A CA  1 
ATOM   1318 C C   . PRO A 1 168 ? 26.215  1.931   22.570 1.00 23.09 ? 168 PRO A C   1 
ATOM   1319 O O   . PRO A 1 168 ? 26.018  1.639   23.754 1.00 23.12 ? 168 PRO A O   1 
ATOM   1320 C CB  . PRO A 1 168 ? 28.306  1.037   21.540 1.00 24.13 ? 168 PRO A CB  1 
ATOM   1321 C CG  . PRO A 1 168 ? 28.636  0.515   20.194 1.00 17.80 ? 168 PRO A CG  1 
ATOM   1322 C CD  . PRO A 1 168 ? 27.486  0.911   19.301 1.00 15.51 ? 168 PRO A CD  1 
ATOM   1323 N N   A ASN A 1 169 ? 25.931  3.135   22.078 0.73 20.11 ? 169 ASN A N   1 
ATOM   1324 N N   B ASN A 1 169 ? 25.940  3.143   22.089 0.27 20.11 ? 169 ASN A N   1 
ATOM   1325 C CA  A ASN A 1 169 ? 25.531  4.231   22.947 0.73 18.60 ? 169 ASN A CA  1 
ATOM   1326 C CA  B ASN A 1 169 ? 25.512  4.221   22.970 0.27 18.60 ? 169 ASN A CA  1 
ATOM   1327 C C   A ASN A 1 169 ? 24.263  4.940   22.482 0.73 17.74 ? 169 ASN A C   1 
ATOM   1328 C C   B ASN A 1 169 ? 24.273  4.955   22.469 0.27 17.74 ? 169 ASN A C   1 
ATOM   1329 O O   A ASN A 1 169 ? 23.869  5.935   23.097 0.73 18.97 ? 169 ASN A O   1 
ATOM   1330 O O   B ASN A 1 169 ? 23.919  5.993   23.038 0.27 18.97 ? 169 ASN A O   1 
ATOM   1331 C CB  A ASN A 1 169 ? 26.677  5.251   23.090 0.73 34.89 ? 169 ASN A CB  1 
ATOM   1332 C CB  B ASN A 1 169 ? 26.654  5.226   23.181 0.27 34.89 ? 169 ASN A CB  1 
ATOM   1333 C CG  A ASN A 1 169 ? 27.350  5.583   21.759 0.73 43.17 ? 169 ASN A CG  1 
ATOM   1334 C CG  B ASN A 1 169 ? 27.856  4.608   23.870 0.27 43.17 ? 169 ASN A CG  1 
ATOM   1335 O OD1 A ASN A 1 169 ? 27.020  5.017   20.716 0.73 44.99 ? 169 ASN A OD1 1 
ATOM   1336 O OD1 B ASN A 1 169 ? 28.938  4.516   23.291 0.27 44.99 ? 169 ASN A OD1 1 
ATOM   1337 N ND2 A ASN A 1 169 ? 28.305  6.505   21.799 0.73 80.05 ? 169 ASN A ND2 1 
ATOM   1338 N ND2 B ASN A 1 169 ? 27.673  4.186   25.115 0.27 80.05 ? 169 ASN A ND2 1 
ATOM   1339 N N   . TYR A 1 170 ? 23.601  4.455   21.436 1.00 14.79 ? 170 TYR A N   1 
ATOM   1340 C CA  . TYR A 1 170 ? 22.440  5.150   20.900 1.00 15.74 ? 170 TYR A CA  1 
ATOM   1341 C C   . TYR A 1 170 ? 21.436  4.148   20.357 1.00 23.82 ? 170 TYR A C   1 
ATOM   1342 O O   . TYR A 1 170 ? 21.733  2.966   20.169 1.00 16.99 ? 170 TYR A O   1 
ATOM   1343 C CB  . TYR A 1 170 ? 22.828  6.125   19.788 1.00 13.97 ? 170 TYR A CB  1 
ATOM   1344 C CG  . TYR A 1 170 ? 23.380  5.419   18.571 1.00 13.56 ? 170 TYR A CG  1 
ATOM   1345 C CD1 . TYR A 1 170 ? 24.733  5.133   18.470 1.00 22.50 ? 170 TYR A CD1 1 
ATOM   1346 C CD2 . TYR A 1 170 ? 22.537  5.021   17.525 1.00 13.56 ? 170 TYR A CD2 1 
ATOM   1347 C CE1 . TYR A 1 170 ? 25.234  4.487   17.364 1.00 19.98 ? 170 TYR A CE1 1 
ATOM   1348 C CE2 . TYR A 1 170 ? 23.031  4.376   16.414 1.00 15.76 ? 170 TYR A CE2 1 
ATOM   1349 C CZ  . TYR A 1 170 ? 24.382  4.112   16.336 1.00 22.30 ? 170 TYR A CZ  1 
ATOM   1350 O OH  . TYR A 1 170 ? 24.884  3.463   15.232 1.00 23.42 ? 170 TYR A OH  1 
ATOM   1351 N N   . ILE A 1 171 ? 20.230  4.650   20.122 1.00 17.27 ? 171 ILE A N   1 
ATOM   1352 C CA  . ILE A 1 171 ? 19.200  3.969   19.356 1.00 15.45 ? 171 ILE A CA  1 
ATOM   1353 C C   . ILE A 1 171 ? 18.910  4.853   18.151 1.00 18.07 ? 171 ILE A C   1 
ATOM   1354 O O   . ILE A 1 171 ? 18.823  6.079   18.277 1.00 14.69 ? 171 ILE A O   1 
ATOM   1355 C CB  . ILE A 1 171 ? 17.943  3.714   20.207 1.00 18.38 ? 171 ILE A CB  1 
ATOM   1356 C CG1 . ILE A 1 171 ? 18.252  2.650   21.257 1.00 14.69 ? 171 ILE A CG1 1 
ATOM   1357 C CG2 . ILE A 1 171 ? 16.788  3.233   19.331 1.00 18.60 ? 171 ILE A CG2 1 
ATOM   1358 C CD1 . ILE A 1 171 ? 17.173  2.524   22.329 1.00 19.48 ? 171 ILE A CD1 1 
ATOM   1359 N N   . LEU A 1 172 ? 18.799  4.240   16.985 1.00 14.32 ? 172 LEU A N   1 
ATOM   1360 C CA  . LEU A 1 172 ? 18.661  4.971   15.733 1.00 14.32 ? 172 LEU A CA  1 
ATOM   1361 C C   . LEU A 1 172 ? 17.191  5.121   15.367 1.00 14.32 ? 172 LEU A C   1 
ATOM   1362 O O   . LEU A 1 172 ? 16.470  4.123   15.255 1.00 14.32 ? 172 LEU A O   1 
ATOM   1363 C CB  . LEU A 1 172 ? 19.421  4.252   14.619 1.00 14.32 ? 172 LEU A CB  1 
ATOM   1364 C CG  . LEU A 1 172 ? 19.258  4.832   13.211 1.00 14.32 ? 172 LEU A CG  1 
ATOM   1365 C CD1 . LEU A 1 172 ? 19.836  6.217   13.143 1.00 14.32 ? 172 LEU A CD1 1 
ATOM   1366 C CD2 . LEU A 1 172 ? 19.910  3.926   12.170 1.00 14.32 ? 172 LEU A CD2 1 
ATOM   1367 N N   . ILE A 1 173 ? 16.744  6.357   15.177 1.00 11.11 ? 173 ILE A N   1 
ATOM   1368 C CA  . ILE A 1 173 ? 15.330  6.669   15.051 1.00 13.66 ? 173 ILE A CA  1 
ATOM   1369 C C   . ILE A 1 173 ? 15.078  7.319   13.698 1.00 11.11 ? 173 ILE A C   1 
ATOM   1370 O O   . ILE A 1 173 ? 15.726  8.312   13.342 1.00 14.69 ? 173 ILE A O   1 
ATOM   1371 C CB  . ILE A 1 173 ? 14.852  7.597   16.183 1.00 11.11 ? 173 ILE A CB  1 
ATOM   1372 C CG1 . ILE A 1 173 ? 14.998  6.951   17.569 1.00 18.90 ? 173 ILE A CG1 1 
ATOM   1373 C CG2 . ILE A 1 173 ? 13.456  8.062   15.918 1.00 11.11 ? 173 ILE A CG2 1 
ATOM   1374 C CD1 . ILE A 1 173 ? 14.159  5.722   17.758 1.00 16.97 ? 173 ILE A CD1 1 
ATOM   1375 N N   . LYS A 1 174 ? 14.107  6.770   12.970 1.00 12.08 ? 174 LYS A N   1 
ATOM   1376 C CA  . LYS A 1 174 ? 13.548  7.363   11.769 1.00 12.08 ? 174 LYS A CA  1 
ATOM   1377 C C   . LYS A 1 174 ? 12.392  8.241   12.214 1.00 12.08 ? 174 LYS A C   1 
ATOM   1378 O O   . LYS A 1 174 ? 11.412  7.749   12.798 1.00 12.08 ? 174 LYS A O   1 
ATOM   1379 C CB  . LYS A 1 174 ? 13.066  6.300   10.786 1.00 12.08 ? 174 LYS A CB  1 
ATOM   1380 C CG  . LYS A 1 174 ? 12.562  6.863   9.446  1.00 12.08 ? 174 LYS A CG  1 
ATOM   1381 C CD  . LYS A 1 174 ? 12.060  5.761   8.535  1.00 12.08 ? 174 LYS A CD  1 
ATOM   1382 C CE  . LYS A 1 174 ? 11.776  6.252   7.132  1.00 13.76 ? 174 LYS A CE  1 
ATOM   1383 N NZ  . LYS A 1 174 ? 10.970  5.250   6.369  1.00 12.08 ? 174 LYS A NZ  1 
ATOM   1384 N N   . ASN A 1 175 ? 12.556  9.540   12.022 1.00 10.83 ? 175 ASN A N   1 
ATOM   1385 C CA  . ASN A 1 175 ? 11.527  10.521  12.302 1.00 10.83 ? 175 ASN A CA  1 
ATOM   1386 C C   . ASN A 1 175 ? 10.733  10.779  11.027 1.00 13.06 ? 175 ASN A C   1 
ATOM   1387 O O   . ASN A 1 175 ? 11.134  10.397  9.924  1.00 14.28 ? 175 ASN A O   1 
ATOM   1388 C CB  . ASN A 1 175 ? 12.153  11.815  12.819 1.00 10.83 ? 175 ASN A CB  1 
ATOM   1389 C CG  . ASN A 1 175 ? 11.171  12.655  13.579 1.00 19.84 ? 175 ASN A CG  1 
ATOM   1390 O OD1 . ASN A 1 175 ? 10.023  12.254  13.753 1.00 10.83 ? 175 ASN A OD1 1 
ATOM   1391 N ND2 . ASN A 1 175 ? 11.607  13.827  14.048 1.00 16.76 ? 175 ASN A ND2 1 
ATOM   1392 N N   . SER A 1 176 ? 9.612   11.465  11.174 1.00 16.56 ? 176 SER A N   1 
ATOM   1393 C CA  . SER A 1 176 ? 8.734   11.764  10.053 1.00 16.56 ? 176 SER A CA  1 
ATOM   1394 C C   . SER A 1 176 ? 8.652   13.267  9.852  1.00 18.00 ? 176 SER A C   1 
ATOM   1395 O O   . SER A 1 176 ? 7.589   13.816  9.550  1.00 16.65 ? 176 SER A O   1 
ATOM   1396 C CB  . SER A 1 176 ? 7.344   11.191  10.274 1.00 16.56 ? 176 SER A CB  1 
ATOM   1397 O OG  . SER A 1 176 ? 6.878   11.585  11.557 1.00 20.43 ? 176 SER A OG  1 
ATOM   1398 N N   . TRP A 1 177 ? 9.792   13.942  9.950  1.00 20.65 ? 177 TRP A N   1 
ATOM   1399 C CA  . TRP A 1 177 ? 9.836   15.387  9.800  1.00 14.58 ? 177 TRP A CA  1 
ATOM   1400 C C   . TRP A 1 177 ? 10.594  15.808  8.549  1.00 19.41 ? 177 TRP A C   1 
ATOM   1401 O O   . TRP A 1 177 ? 11.101  16.932  8.481  1.00 17.95 ? 177 TRP A O   1 
ATOM   1402 C CB  . TRP A 1 177 ? 10.461  16.036  11.036 1.00 14.58 ? 177 TRP A CB  1 
ATOM   1403 C CG  . TRP A 1 177 ? 9.574   16.019  12.271 1.00 14.58 ? 177 TRP A CG  1 
ATOM   1404 C CD1 . TRP A 1 177 ? 8.260   15.631  12.349 1.00 14.58 ? 177 TRP A CD1 1 
ATOM   1405 C CD2 . TRP A 1 177 ? 9.936   16.469  13.583 1.00 16.06 ? 177 TRP A CD2 1 
ATOM   1406 N NE1 . TRP A 1 177 ? 7.797   15.784  13.635 1.00 20.59 ? 177 TRP A NE1 1 
ATOM   1407 C CE2 . TRP A 1 177 ? 8.802   16.301  14.410 1.00 21.30 ? 177 TRP A CE2 1 
ATOM   1408 C CE3 . TRP A 1 177 ? 11.111  16.997  14.138 1.00 16.80 ? 177 TRP A CE3 1 
ATOM   1409 C CZ2 . TRP A 1 177 ? 8.809   16.634  15.754 1.00 19.68 ? 177 TRP A CZ2 1 
ATOM   1410 C CZ3 . TRP A 1 177 ? 11.116  17.329  15.473 1.00 21.75 ? 177 TRP A CZ3 1 
ATOM   1411 C CH2 . TRP A 1 177 ? 9.971   17.143  16.271 1.00 21.68 ? 177 TRP A CH2 1 
ATOM   1412 N N   . GLY A 1 178 ? 10.695  14.920  7.569  1.00 14.27 ? 178 GLY A N   1 
ATOM   1413 C CA  . GLY A 1 178 ? 11.375  15.225  6.334  1.00 14.49 ? 178 GLY A CA  1 
ATOM   1414 C C   . GLY A 1 178 ? 12.853  14.929  6.423  1.00 13.46 ? 178 GLY A C   1 
ATOM   1415 O O   . GLY A 1 178 ? 13.411  14.662  7.489  1.00 16.70 ? 178 GLY A O   1 
ATOM   1416 N N   . THR A 1 179 ? 13.500  14.961  5.264  1.00 12.05 ? 179 THR A N   1 
ATOM   1417 C CA  . THR A 1 179 ? 14.917  14.626  5.209  1.00 10.11 ? 179 THR A CA  1 
ATOM   1418 C C   . THR A 1 179 ? 15.829  15.752  5.692  1.00 10.44 ? 179 THR A C   1 
ATOM   1419 O O   . THR A 1 179 ? 17.024  15.511  5.886  1.00 17.03 ? 179 THR A O   1 
ATOM   1420 C CB  . THR A 1 179 ? 15.282  14.179  3.797  1.00 18.56 ? 179 THR A CB  1 
ATOM   1421 O OG1 . THR A 1 179 ? 14.963  15.221  2.867  1.00 14.60 ? 179 THR A OG1 1 
ATOM   1422 C CG2 . THR A 1 179 ? 14.528  12.914  3.436  1.00 21.64 ? 179 THR A CG2 1 
ATOM   1423 N N   . GLY A 1 180 ? 15.303  16.963  5.916  1.00 14.67 ? 180 GLY A N   1 
ATOM   1424 C CA  . GLY A 1 180 ? 16.106  18.081  6.392  1.00 12.81 ? 180 GLY A CA  1 
ATOM   1425 C C   . GLY A 1 180 ? 16.274  18.216  7.889  1.00 34.79 ? 180 GLY A C   1 
ATOM   1426 O O   . GLY A 1 180 ? 17.053  19.057  8.342  1.00 32.64 ? 180 GLY A O   1 
ATOM   1427 N N   . TRP A 1 181 ? 15.556  17.429  8.672  1.00 23.83 ? 181 TRP A N   1 
ATOM   1428 C CA  . TRP A 1 181 ? 15.666  17.461  10.120 1.00 18.08 ? 181 TRP A CA  1 
ATOM   1429 C C   . TRP A 1 181 ? 16.686  16.433  10.573 1.00 15.09 ? 181 TRP A C   1 
ATOM   1430 O O   . TRP A 1 181 ? 16.733  15.321  10.041 1.00 17.29 ? 181 TRP A O   1 
ATOM   1431 C CB  . TRP A 1 181 ? 14.318  17.161  10.775 1.00 20.51 ? 181 TRP A CB  1 
ATOM   1432 C CG  . TRP A 1 181 ? 14.349  17.180  12.274 1.00 18.25 ? 181 TRP A CG  1 
ATOM   1433 C CD1 . TRP A 1 181 ? 14.191  18.260  13.083 1.00 14.95 ? 181 TRP A CD1 1 
ATOM   1434 C CD2 . TRP A 1 181 ? 14.565  16.056  13.140 1.00 15.85 ? 181 TRP A CD2 1 
ATOM   1435 N NE1 . TRP A 1 181 ? 14.282  17.882  14.403 1.00 24.22 ? 181 TRP A NE1 1 
ATOM   1436 C CE2 . TRP A 1 181 ? 14.514  16.533  14.463 1.00 18.16 ? 181 TRP A CE2 1 
ATOM   1437 C CE3 . TRP A 1 181 ? 14.800  14.692  12.920 1.00 14.95 ? 181 TRP A CE3 1 
ATOM   1438 C CZ2 . TRP A 1 181 ? 14.680  15.696  15.564 1.00 14.95 ? 181 TRP A CZ2 1 
ATOM   1439 C CZ3 . TRP A 1 181 ? 14.965  13.860  14.014 1.00 18.60 ? 181 TRP A CZ3 1 
ATOM   1440 C CH2 . TRP A 1 181 ? 14.903  14.364  15.320 1.00 16.72 ? 181 TRP A CH2 1 
ATOM   1441 N N   . GLY A 1 182 ? 17.524  16.814  11.535 1.00 14.80 ? 182 GLY A N   1 
ATOM   1442 C CA  . GLY A 1 182 ? 18.406  15.824  12.125 1.00 12.32 ? 182 GLY A CA  1 
ATOM   1443 C C   . GLY A 1 182 ? 19.414  15.316  11.119 1.00 12.55 ? 182 GLY A C   1 
ATOM   1444 O O   . GLY A 1 182 ? 19.880  16.058  10.250 1.00 15.55 ? 182 GLY A O   1 
ATOM   1445 N N   . GLU A 1 183 ? 19.738  14.024  11.214 1.00 13.40 ? 183 GLU A N   1 
ATOM   1446 C CA  . GLU A 1 183 ? 20.737  13.385  10.349 1.00 13.40 ? 183 GLU A CA  1 
ATOM   1447 C C   . GLU A 1 183 ? 20.034  12.774  9.142  1.00 15.21 ? 183 GLU A C   1 
ATOM   1448 O O   . GLU A 1 183 ? 19.729  11.584  9.090  1.00 14.37 ? 183 GLU A O   1 
ATOM   1449 C CB  . GLU A 1 183 ? 21.541  12.349  11.119 1.00 13.40 ? 183 GLU A CB  1 
ATOM   1450 C CG  . GLU A 1 183 ? 22.273  12.925  12.312 1.00 16.20 ? 183 GLU A CG  1 
ATOM   1451 C CD  . GLU A 1 183 ? 23.153  11.894  13.011 1.00 24.68 ? 183 GLU A CD  1 
ATOM   1452 O OE1 . GLU A 1 183 ? 22.753  10.705  13.057 1.00 21.15 ? 183 GLU A OE1 1 
ATOM   1453 O OE2 . GLU A 1 183 ? 24.218  12.281  13.554 1.00 23.96 ? 183 GLU A OE2 1 
ATOM   1454 N N   . ASN A 1 184 ? 19.756  13.630  8.161  1.00 14.46 ? 184 ASN A N   1 
ATOM   1455 C CA  . ASN A 1 184 ? 19.009  13.264  6.954  1.00 11.53 ? 184 ASN A CA  1 
ATOM   1456 C C   . ASN A 1 184 ? 17.665  12.649  7.334  1.00 10.79 ? 184 ASN A C   1 
ATOM   1457 O O   . ASN A 1 184 ? 17.141  11.766  6.655  1.00 13.99 ? 184 ASN A O   1 
ATOM   1458 C CB  . ASN A 1 184 ? 19.816  12.285  6.096  1.00 11.23 ? 184 ASN A CB  1 
ATOM   1459 C CG  . ASN A 1 184 ? 21.072  12.898  5.524  1.00 29.55 ? 184 ASN A CG  1 
ATOM   1460 O OD1 . ASN A 1 184 ? 21.213  14.116  5.465  1.00 36.59 ? 184 ASN A OD1 1 
ATOM   1461 N ND2 . ASN A 1 184 ? 22.008  12.050  5.122  1.00 66.14 ? 184 ASN A ND2 1 
ATOM   1462 N N   . GLY A 1 185 ? 17.078  13.157  8.412  1.00 13.31 ? 185 GLY A N   1 
ATOM   1463 C CA  . GLY A 1 185 ? 15.776  12.711  8.841  1.00 13.31 ? 185 GLY A CA  1 
ATOM   1464 C C   . GLY A 1 185 ? 15.808  11.764  10.011 1.00 13.31 ? 185 GLY A C   1 
ATOM   1465 O O   . GLY A 1 185 ? 14.744  11.355  10.486 1.00 13.31 ? 185 GLY A O   1 
ATOM   1466 N N   . TYR A 1 186 ? 16.988  11.365  10.455 1.00 13.53 ? 186 TYR A N   1 
ATOM   1467 C CA  . TYR A 1 186 ? 17.147  10.420  11.545 1.00 13.53 ? 186 TYR A CA  1 
ATOM   1468 C C   . TYR A 1 186 ? 17.683  11.151  12.761 1.00 13.53 ? 186 TYR A C   1 
ATOM   1469 O O   . TYR A 1 186 ? 18.222  12.256  12.665 1.00 13.53 ? 186 TYR A O   1 
ATOM   1470 C CB  . TYR A 1 186 ? 18.087  9.269   11.165 1.00 13.90 ? 186 TYR A CB  1 
ATOM   1471 C CG  . TYR A 1 186 ? 17.498  8.347   10.117 1.00 14.67 ? 186 TYR A CG  1 
ATOM   1472 C CD1 . TYR A 1 186 ? 17.564  8.686   8.769  1.00 13.53 ? 186 TYR A CD1 1 
ATOM   1473 C CD2 . TYR A 1 186 ? 16.849  7.163   10.467 1.00 15.91 ? 186 TYR A CD2 1 
ATOM   1474 C CE1 . TYR A 1 186 ? 17.026  7.859   7.801  1.00 13.53 ? 186 TYR A CE1 1 
ATOM   1475 C CE2 . TYR A 1 186 ? 16.305  6.338   9.494  1.00 22.02 ? 186 TYR A CE2 1 
ATOM   1476 C CZ  . TYR A 1 186 ? 16.389  6.697   8.170  1.00 24.95 ? 186 TYR A CZ  1 
ATOM   1477 O OH  . TYR A 1 186 ? 15.854  5.890   7.196  1.00 21.54 ? 186 TYR A OH  1 
ATOM   1478 N N   . ILE A 1 187 ? 17.518  10.524  13.912 1.00 16.12 ? 187 ILE A N   1 
ATOM   1479 C CA  . ILE A 1 187 ? 18.168  10.981  15.124 1.00 13.03 ? 187 ILE A CA  1 
ATOM   1480 C C   . ILE A 1 187 ? 18.756  9.766   15.807 1.00 13.03 ? 187 ILE A C   1 
ATOM   1481 O O   . ILE A 1 187 ? 18.119  8.713   15.884 1.00 13.03 ? 187 ILE A O   1 
ATOM   1482 C CB  . ILE A 1 187 ? 17.191  11.721  16.068 1.00 15.35 ? 187 ILE A CB  1 
ATOM   1483 C CG1 . ILE A 1 187 ? 17.905  12.181  17.347 1.00 13.03 ? 187 ILE A CG1 1 
ATOM   1484 C CG2 . ILE A 1 187 ? 16.034  10.830  16.449 1.00 14.16 ? 187 ILE A CG2 1 
ATOM   1485 C CD1 . ILE A 1 187 ? 17.128  13.195  18.178 1.00 13.03 ? 187 ILE A CD1 1 
ATOM   1486 N N   . ARG A 1 188 ? 19.954  9.910   16.328 1.00 11.04 ? 188 ARG A N   1 
ATOM   1487 C CA  . ARG A 1 188 ? 20.517  8.886   17.187 1.00 11.04 ? 188 ARG A CA  1 
ATOM   1488 C C   . ARG A 1 188 ? 20.337  9.389   18.610 1.00 13.13 ? 188 ARG A C   1 
ATOM   1489 O O   . ARG A 1 188 ? 20.855  10.454  18.965 1.00 12.68 ? 188 ARG A O   1 
ATOM   1490 C CB  . ARG A 1 188 ? 21.985  8.626   16.859 1.00 14.27 ? 188 ARG A CB  1 
ATOM   1491 C CG  . ARG A 1 188 ? 22.177  7.909   15.541 1.00 12.10 ? 188 ARG A CG  1 
ATOM   1492 C CD  . ARG A 1 188 ? 23.638  7.759   15.211 1.00 12.76 ? 188 ARG A CD  1 
ATOM   1493 N NE  . ARG A 1 188 ? 24.272  9.044   14.963 1.00 27.16 ? 188 ARG A NE  1 
ATOM   1494 C CZ  . ARG A 1 188 ? 25.503  9.354   15.342 1.00 54.77 ? 188 ARG A CZ  1 
ATOM   1495 N NH1 . ARG A 1 188 ? 26.284  8.469   15.940 1.00 44.40 ? 188 ARG A NH1 1 
ATOM   1496 N NH2 . ARG A 1 188 ? 25.967  10.576  15.095 1.00 19.09 ? 188 ARG A NH2 1 
ATOM   1497 N N   . ILE A 1 189 ? 19.612  8.638   19.422 1.00 12.54 ? 189 ILE A N   1 
ATOM   1498 C CA  . ILE A 1 189 ? 19.276  9.077   20.767 1.00 12.54 ? 189 ILE A CA  1 
ATOM   1499 C C   . ILE A 1 189 ? 20.108  8.250   21.733 1.00 12.54 ? 189 ILE A C   1 
ATOM   1500 O O   . ILE A 1 189 ? 20.165  7.023   21.612 1.00 13.40 ? 189 ILE A O   1 
ATOM   1501 C CB  . ILE A 1 189 ? 17.768  8.916   21.037 1.00 15.66 ? 189 ILE A CB  1 
ATOM   1502 C CG1 . ILE A 1 189 ? 16.958  9.767   20.051 1.00 24.69 ? 189 ILE A CG1 1 
ATOM   1503 C CG2 . ILE A 1 189 ? 17.425  9.266   22.479 1.00 19.20 ? 189 ILE A CG2 1 
ATOM   1504 C CD1 . ILE A 1 189 ? 15.486  9.787   20.335 1.00 39.08 ? 189 ILE A CD1 1 
ATOM   1505 N N   . LYS A 1 190 ? 20.787  8.922   22.661 1.00 14.27 ? 190 LYS A N   1 
ATOM   1506 C CA  . LYS A 1 190 ? 21.646  8.217   23.601 1.00 14.27 ? 190 LYS A CA  1 
ATOM   1507 C C   . LYS A 1 190 ? 20.863  7.129   24.328 1.00 14.27 ? 190 LYS A C   1 
ATOM   1508 O O   . LYS A 1 190 ? 19.690  7.307   24.677 1.00 18.01 ? 190 LYS A O   1 
ATOM   1509 C CB  . LYS A 1 190 ? 22.288  9.182   24.610 1.00 16.29 ? 190 LYS A CB  1 
ATOM   1510 C CG  . LYS A 1 190 ? 23.190  8.462   25.647 1.00 29.62 ? 190 LYS A CG  1 
ATOM   1511 C CD  . LYS A 1 190 ? 24.375  9.325   26.047 1.00 37.90 ? 190 LYS A CD  1 
ATOM   1512 C CE  . LYS A 1 190 ? 25.638  8.514   26.210 1.00 70.69 ? 190 LYS A CE  1 
ATOM   1513 N NZ  . LYS A 1 190 ? 26.413  8.973   27.393 1.00 40.93 ? 190 LYS A NZ  1 
ATOM   1514 N N   . ARG A 1 191 ? 21.511  5.986   24.525 1.00 17.15 ? 191 ARG A N   1 
ATOM   1515 C CA  . ARG A 1 191 ? 20.972  4.934   25.366 1.00 17.15 ? 191 ARG A CA  1 
ATOM   1516 C C   . ARG A 1 191 ? 22.034  4.568   26.393 1.00 17.15 ? 191 ARG A C   1 
ATOM   1517 O O   . ARG A 1 191 ? 23.170  5.042   26.335 1.00 21.14 ? 191 ARG A O   1 
ATOM   1518 C CB  . ARG A 1 191 ? 20.589  3.713   24.522 1.00 17.19 ? 191 ARG A CB  1 
ATOM   1519 C CG  . ARG A 1 191 ? 21.795  2.924   24.067 1.00 18.05 ? 191 ARG A CG  1 
ATOM   1520 C CD  . ARG A 1 191 ? 21.381  1.680   23.307 1.00 18.62 ? 191 ARG A CD  1 
ATOM   1521 N NE  . ARG A 1 191 ? 22.519  0.822   22.991 1.00 21.05 ? 191 ARG A NE  1 
ATOM   1522 C CZ  . ARG A 1 191 ? 23.028  -0.078  23.825 1.00 17.15 ? 191 ARG A CZ  1 
ATOM   1523 N NH1 . ARG A 1 191 ? 22.572  -0.213  25.059 1.00 18.41 ? 191 ARG A NH1 1 
ATOM   1524 N NH2 . ARG A 1 191 ? 24.021  -0.856  23.410 1.00 17.15 ? 191 ARG A NH2 1 
ATOM   1525 N N   . GLY A 1 192 ? 21.660  3.726   27.349 1.00 14.86 ? 192 GLY A N   1 
ATOM   1526 C CA  . GLY A 1 192 ? 22.618  3.274   28.330 1.00 17.50 ? 192 GLY A CA  1 
ATOM   1527 C C   . GLY A 1 192 ? 22.847  4.256   29.453 1.00 23.66 ? 192 GLY A C   1 
ATOM   1528 O O   . GLY A 1 192 ? 23.861  4.152   30.159 1.00 30.14 ? 192 GLY A O   1 
ATOM   1529 N N   . THR A 1 193 ? 21.924  5.214   29.642 1.00 15.45 ? 193 THR A N   1 
ATOM   1530 C CA  . THR A 1 193 ? 22.037  6.234   30.682 1.00 31.85 ? 193 THR A CA  1 
ATOM   1531 C C   . THR A 1 193 ? 21.521  5.752   32.033 1.00 41.42 ? 193 THR A C   1 
ATOM   1532 O O   . THR A 1 193 ? 21.698  6.453   33.035 1.00 38.21 ? 193 THR A O   1 
ATOM   1533 C CB  . THR A 1 193 ? 21.289  7.517   30.280 1.00 18.81 ? 193 THR A CB  1 
ATOM   1534 O OG1 . THR A 1 193 ? 19.861  7.320   30.393 1.00 25.31 ? 193 THR A OG1 1 
ATOM   1535 C CG2 . THR A 1 193 ? 21.659  7.912   28.826 1.00 57.50 ? 193 THR A CG2 1 
ATOM   1536 N N   . GLY A 1 194 ? 20.856  4.603   32.079 1.00 32.03 ? 194 GLY A N   1 
ATOM   1537 C CA  . GLY A 1 194 ? 20.327  4.082   33.310 1.00 33.82 ? 194 GLY A CA  1 
ATOM   1538 C C   . GLY A 1 194 ? 19.002  4.671   33.718 1.00 21.11 ? 194 GLY A C   1 
ATOM   1539 O O   . GLY A 1 194 ? 18.464  4.293   34.769 1.00 38.12 ? 194 GLY A O   1 
ATOM   1540 N N   . ASN A 1 195 ? 18.458  5.582   32.931 1.00 24.55 ? 195 ASN A N   1 
ATOM   1541 C CA  . ASN A 1 195 ? 17.141  6.125   33.205 1.00 40.01 ? 195 ASN A CA  1 
ATOM   1542 C C   . ASN A 1 195 ? 16.123  5.167   32.601 1.00 31.62 ? 195 ASN A C   1 
ATOM   1543 O O   . ASN A 1 195 ? 16.117  4.945   31.384 1.00 28.09 ? 195 ASN A O   1 
ATOM   1544 C CB  . ASN A 1 195 ? 17.045  7.532   32.619 1.00 33.82 ? 195 ASN A CB  1 
ATOM   1545 C CG  . ASN A 1 195 ? 15.638  8.044   32.535 1.00 37.03 ? 195 ASN A CG  1 
ATOM   1546 O OD1 . ASN A 1 195 ? 14.758  7.615   33.282 1.00 43.72 ? 195 ASN A OD1 1 
ATOM   1547 N ND2 . ASN A 1 195 ? 15.415  8.992   31.628 1.00 46.68 ? 195 ASN A ND2 1 
ATOM   1548 N N   . SER A 1 196 ? 15.288  4.566   33.449 1.00 47.33 ? 196 SER A N   1 
ATOM   1549 C CA  . SER A 1 196 ? 14.379  3.533   32.962 1.00 40.31 ? 196 SER A CA  1 
ATOM   1550 C C   . SER A 1 196 ? 13.434  4.070   31.895 1.00 22.07 ? 196 SER A C   1 
ATOM   1551 O O   . SER A 1 196 ? 12.965  3.307   31.040 1.00 27.70 ? 196 SER A O   1 
ATOM   1552 C CB  . SER A 1 196 ? 13.573  2.946   34.120 1.00 35.68 ? 196 SER A CB  1 
ATOM   1553 O OG  . SER A 1 196 ? 12.831  3.955   34.789 1.00 69.03 ? 196 SER A OG  1 
ATOM   1554 N N   . TYR A 1 197 ? 13.120  5.367   31.937 1.00 31.87 ? 197 TYR A N   1 
ATOM   1555 C CA  . TYR A 1 197 ? 12.223  5.912   30.932 1.00 25.88 ? 197 TYR A CA  1 
ATOM   1556 C C   . TYR A 1 197 ? 12.884  5.931   29.561 1.00 21.95 ? 197 TYR A C   1 
ATOM   1557 O O   . TYR A 1 197 ? 12.179  5.890   28.544 1.00 29.20 ? 197 TYR A O   1 
ATOM   1558 C CB  . TYR A 1 197 ? 11.777  7.330   31.304 1.00 28.89 ? 197 TYR A CB  1 
ATOM   1559 C CG  . TYR A 1 197 ? 10.814  7.401   32.466 1.00 37.73 ? 197 TYR A CG  1 
ATOM   1560 C CD1 . TYR A 1 197 ? 9.469   7.121   32.303 1.00 53.86 ? 197 TYR A CD1 1 
ATOM   1561 C CD2 . TYR A 1 197 ? 11.255  7.785   33.728 1.00 46.70 ? 197 TYR A CD2 1 
ATOM   1562 C CE1 . TYR A 1 197 ? 8.591   7.190   33.375 1.00 77.90 ? 197 TYR A CE1 1 
ATOM   1563 C CE2 . TYR A 1 197 ? 10.390  7.863   34.796 1.00 82.49 ? 197 TYR A CE2 1 
ATOM   1564 C CZ  . TYR A 1 197 ? 9.057   7.565   34.616 1.00 80.09 ? 197 TYR A CZ  1 
ATOM   1565 O OH  . TYR A 1 197 ? 8.191   7.645   35.683 1.00 76.69 ? 197 TYR A OH  1 
ATOM   1566 N N   . GLY A 1 198 ? 14.219  5.951   29.512 1.00 25.09 ? 198 GLY A N   1 
ATOM   1567 C CA  . GLY A 1 198 ? 14.920  6.254   28.280 1.00 24.37 ? 198 GLY A CA  1 
ATOM   1568 C C   . GLY A 1 198 ? 15.038  7.750   28.079 1.00 24.36 ? 198 GLY A C   1 
ATOM   1569 O O   . GLY A 1 198 ? 14.195  8.513   28.561 1.00 24.39 ? 198 GLY A O   1 
ATOM   1570 N N   . VAL A 1 199 ? 16.060  8.179   27.343 1.00 16.53 ? 199 VAL A N   1 
ATOM   1571 C CA  . VAL A 1 199 ? 16.151  9.574   26.953 1.00 20.45 ? 199 VAL A CA  1 
ATOM   1572 C C   . VAL A 1 199 ? 14.894  9.958   26.186 1.00 15.43 ? 199 VAL A C   1 
ATOM   1573 O O   . VAL A 1 199 ? 14.425  9.217   25.311 1.00 14.46 ? 199 VAL A O   1 
ATOM   1574 C CB  . VAL A 1 199 ? 17.430  9.796   26.132 1.00 32.79 ? 199 VAL A CB  1 
ATOM   1575 C CG1 . VAL A 1 199 ? 17.490  11.207  25.573 1.00 25.05 ? 199 VAL A CG1 1 
ATOM   1576 C CG2 . VAL A 1 199 ? 18.643  9.499   26.984 1.00 35.10 ? 199 VAL A CG2 1 
ATOM   1577 N N   . CYS A 1 200 ? 14.294  11.085  26.575 1.00 20.98 ? 200 CYS A N   1 
ATOM   1578 C CA  . CYS A 1 200 ? 13.026  11.562  26.020 1.00 31.67 ? 200 CYS A CA  1 
ATOM   1579 C C   . CYS A 1 200 ? 11.906  10.543  26.165 1.00 25.01 ? 200 CYS A C   1 
ATOM   1580 O O   . CYS A 1 200 ? 10.961  10.539  25.373 1.00 19.11 ? 200 CYS A O   1 
ATOM   1581 C CB  . CYS A 1 200 ? 13.156  11.956  24.548 1.00 22.02 ? 200 CYS A CB  1 
ATOM   1582 S SG  . CYS A 1 200 ? 14.490  13.065  24.193 1.00 24.85 ? 200 CYS A SG  1 
ATOM   1583 N N   . GLY A 1 201 ? 11.958  9.700   27.189 1.00 20.26 ? 201 GLY A N   1 
ATOM   1584 C CA  . GLY A 1 201 ? 10.884  8.738   27.342 1.00 20.51 ? 201 GLY A CA  1 
ATOM   1585 C C   . GLY A 1 201 ? 10.873  7.665   26.283 1.00 22.97 ? 201 GLY A C   1 
ATOM   1586 O O   . GLY A 1 201 ? 9.828   7.065   26.039 1.00 21.26 ? 201 GLY A O   1 
ATOM   1587 N N   . LEU A 1 202 ? 12.018  7.411   25.640 1.00 21.77 ? 202 LEU A N   1 
ATOM   1588 C CA  . LEU A 1 202 ? 12.057  6.532   24.479 1.00 21.73 ? 202 LEU A CA  1 
ATOM   1589 C C   . LEU A 1 202 ? 11.564  5.117   24.767 1.00 18.77 ? 202 LEU A C   1 
ATOM   1590 O O   . LEU A 1 202 ? 11.155  4.417   23.836 1.00 18.77 ? 202 LEU A O   1 
ATOM   1591 C CB  . LEU A 1 202 ? 13.492  6.464   23.945 1.00 18.77 ? 202 LEU A CB  1 
ATOM   1592 C CG  . LEU A 1 202 ? 13.802  5.736   22.630 1.00 31.83 ? 202 LEU A CG  1 
ATOM   1593 C CD1 . LEU A 1 202 ? 13.022  6.329   21.487 1.00 25.11 ? 202 LEU A CD1 1 
ATOM   1594 C CD2 . LEU A 1 202 ? 15.282  5.800   22.333 1.00 27.71 ? 202 LEU A CD2 1 
ATOM   1595 N N   . TYR A 1 203 ? 11.543  4.689   26.023 1.00 17.68 ? 203 TYR A N   1 
ATOM   1596 C CA  . TYR A 1 203 ? 11.146  3.330   26.358 1.00 17.68 ? 203 TYR A CA  1 
ATOM   1597 C C   . TYR A 1 203 ? 9.720   3.267   26.863 1.00 18.16 ? 203 TYR A C   1 
ATOM   1598 O O   . TYR A 1 203 ? 9.336   2.277   27.491 1.00 21.17 ? 203 TYR A O   1 
ATOM   1599 C CB  . TYR A 1 203 ? 12.094  2.716   27.392 1.00 17.68 ? 203 TYR A CB  1 
ATOM   1600 C CG  . TYR A 1 203 ? 13.566  2.823   27.040 1.00 20.52 ? 203 TYR A CG  1 
ATOM   1601 C CD1 . TYR A 1 203 ? 13.984  2.898   25.716 1.00 20.69 ? 203 TYR A CD1 1 
ATOM   1602 C CD2 . TYR A 1 203 ? 14.540  2.861   28.041 1.00 23.09 ? 203 TYR A CD2 1 
ATOM   1603 C CE1 . TYR A 1 203 ? 15.321  2.996   25.398 1.00 22.71 ? 203 TYR A CE1 1 
ATOM   1604 C CE2 . TYR A 1 203 ? 15.884  2.967   27.732 1.00 17.68 ? 203 TYR A CE2 1 
ATOM   1605 C CZ  . TYR A 1 203 ? 16.271  3.034   26.406 1.00 21.16 ? 203 TYR A CZ  1 
ATOM   1606 O OH  . TYR A 1 203 ? 17.609  3.144   26.088 1.00 22.12 ? 203 TYR A OH  1 
ATOM   1607 N N   . THR A 1 204 ? 8.938   4.324   26.638 1.00 15.06 ? 204 THR A N   1 
ATOM   1608 C CA  . THR A 1 204 ? 7.619   4.393   27.254 1.00 19.35 ? 204 THR A CA  1 
ATOM   1609 C C   . THR A 1 204 ? 6.639   3.408   26.633 1.00 17.27 ? 204 THR A C   1 
ATOM   1610 O O   . THR A 1 204 ? 5.894   2.731   27.351 1.00 20.38 ? 204 THR A O   1 
ATOM   1611 C CB  . THR A 1 204 ? 7.069   5.812   27.129 1.00 23.38 ? 204 THR A CB  1 
ATOM   1612 O OG1 . THR A 1 204 ? 7.933   6.723   27.823 1.00 16.68 ? 204 THR A OG1 1 
ATOM   1613 C CG2 . THR A 1 204 ? 5.669   5.890   27.705 1.00 19.58 ? 204 THR A CG2 1 
ATOM   1614 N N   . SER A 1 205 ? 6.636   3.285   25.311 1.00 15.73 ? 205 SER A N   1 
ATOM   1615 C CA  . SER A 1 205 ? 5.537   2.569   24.667 1.00 16.06 ? 205 SER A CA  1 
ATOM   1616 C C   . SER A 1 205 ? 6.002   2.143   23.276 1.00 17.45 ? 205 SER A C   1 
ATOM   1617 O O   . SER A 1 205 ? 6.025   2.961   22.353 1.00 21.76 ? 205 SER A O   1 
ATOM   1618 C CB  . SER A 1 205 ? 4.275   3.425   24.620 1.00 17.07 ? 205 SER A CB  1 
ATOM   1619 O OG  . SER A 1 205 ? 3.178   2.694   24.091 1.00 28.13 ? 205 SER A OG  1 
ATOM   1620 N N   . SER A 1 206 ? 6.343   0.875   23.129 1.00 13.60 ? 206 SER A N   1 
ATOM   1621 C CA  . SER A 1 206 ? 6.961   0.412   21.903 1.00 12.88 ? 206 SER A CA  1 
ATOM   1622 C C   . SER A 1 206 ? 6.206   -0.792  21.386 1.00 13.71 ? 206 SER A C   1 
ATOM   1623 O O   . SER A 1 206 ? 5.907   -1.713  22.143 1.00 15.84 ? 206 SER A O   1 
ATOM   1624 C CB  . SER A 1 206 ? 8.431   0.044   22.108 1.00 18.73 ? 206 SER A CB  1 
ATOM   1625 O OG  . SER A 1 206 ? 9.134   1.108   22.725 1.00 19.59 ? 206 SER A OG  1 
ATOM   1626 N N   . PHE A 1 207 ? 5.903   -0.783  20.095 1.00 16.93 ? 207 PHE A N   1 
ATOM   1627 C CA  . PHE A 1 207 ? 5.094   -1.828  19.504 1.00 17.41 ? 207 PHE A CA  1 
ATOM   1628 C C   . PHE A 1 207 ? 5.751   -2.231  18.202 1.00 21.92 ? 207 PHE A C   1 
ATOM   1629 O O   . PHE A 1 207 ? 6.450   -1.441  17.563 1.00 13.29 ? 207 PHE A O   1 
ATOM   1630 C CB  . PHE A 1 207 ? 3.656   -1.365  19.221 1.00 13.29 ? 207 PHE A CB  1 
ATOM   1631 C CG  . PHE A 1 207 ? 2.852   -1.108  20.454 1.00 13.95 ? 207 PHE A CG  1 
ATOM   1632 C CD1 . PHE A 1 207 ? 2.148   -2.135  21.066 1.00 13.29 ? 207 PHE A CD1 1 
ATOM   1633 C CD2 . PHE A 1 207 ? 2.806   0.167   21.011 1.00 19.37 ? 207 PHE A CD2 1 
ATOM   1634 C CE1 . PHE A 1 207 ? 1.414   -1.896  22.215 1.00 15.64 ? 207 PHE A CE1 1 
ATOM   1635 C CE2 . PHE A 1 207 ? 2.069   0.417   22.158 1.00 18.44 ? 207 PHE A CE2 1 
ATOM   1636 C CZ  . PHE A 1 207 ? 1.375   -0.617  22.760 1.00 16.36 ? 207 PHE A CZ  1 
ATOM   1637 N N   . TYR A 1 208 ? 5.511   -3.468  17.810 1.00 22.01 ? 208 TYR A N   1 
ATOM   1638 C CA  . TYR A 1 208 ? 6.010   -3.909  16.528 1.00 20.97 ? 208 TYR A CA  1 
ATOM   1639 C C   . TYR A 1 208 ? 4.981   -4.865  15.953 1.00 16.24 ? 208 TYR A C   1 
ATOM   1640 O O   . TYR A 1 208 ? 4.278   -5.558  16.702 1.00 18.99 ? 208 TYR A O   1 
ATOM   1641 C CB  . TYR A 1 208 ? 7.396   -4.576  16.662 1.00 18.55 ? 208 TYR A CB  1 
ATOM   1642 C CG  . TYR A 1 208 ? 7.501   -5.728  17.650 1.00 16.90 ? 208 TYR A CG  1 
ATOM   1643 C CD1 . TYR A 1 208 ? 7.776   -5.499  18.998 1.00 17.60 ? 208 TYR A CD1 1 
ATOM   1644 C CD2 . TYR A 1 208 ? 7.422   -7.051  17.222 1.00 23.36 ? 208 TYR A CD2 1 
ATOM   1645 C CE1 . TYR A 1 208 ? 7.901   -6.559  19.909 1.00 21.48 ? 208 TYR A CE1 1 
ATOM   1646 C CE2 . TYR A 1 208 ? 7.550   -8.120  18.124 1.00 23.11 ? 208 TYR A CE2 1 
ATOM   1647 C CZ  . TYR A 1 208 ? 7.798   -7.864  19.463 1.00 24.33 ? 208 TYR A CZ  1 
ATOM   1648 O OH  . TYR A 1 208 ? 7.908   -8.901  20.370 1.00 24.11 ? 208 TYR A OH  1 
ATOM   1649 N N   . PRO A 1 209 ? 4.882   -4.939  14.635 1.00 20.01 ? 209 PRO A N   1 
ATOM   1650 C CA  . PRO A 1 209 ? 3.958   -5.895  14.025 1.00 20.96 ? 209 PRO A CA  1 
ATOM   1651 C C   . PRO A 1 209 ? 4.549   -7.289  14.003 1.00 19.28 ? 209 PRO A C   1 
ATOM   1652 O O   . PRO A 1 209 ? 5.763   -7.486  13.957 1.00 23.81 ? 209 PRO A O   1 
ATOM   1653 C CB  . PRO A 1 209 ? 3.782   -5.341  12.604 1.00 18.76 ? 209 PRO A CB  1 
ATOM   1654 C CG  . PRO A 1 209 ? 5.161   -4.754  12.315 1.00 17.17 ? 209 PRO A CG  1 
ATOM   1655 C CD  . PRO A 1 209 ? 5.538   -4.083  13.632 1.00 17.17 ? 209 PRO A CD  1 
ATOM   1656 N N   . VAL A 1 210 ? 3.660   -8.266  14.041 1.00 25.03 ? 210 VAL A N   1 
ATOM   1657 C CA  . VAL A 1 210 ? 4.020   -9.666  13.919 1.00 26.43 ? 210 VAL A CA  1 
ATOM   1658 C C   . VAL A 1 210 ? 3.478   -10.161 12.590 1.00 29.35 ? 210 VAL A C   1 
ATOM   1659 O O   . VAL A 1 210 ? 2.291   -9.966  12.275 1.00 26.83 ? 210 VAL A O   1 
ATOM   1660 C CB  . VAL A 1 210 ? 3.442   -10.495 15.074 1.00 25.03 ? 210 VAL A CB  1 
ATOM   1661 C CG1 . VAL A 1 210 ? 3.530   -12.005 14.752 1.00 47.66 ? 210 VAL A CG1 1 
ATOM   1662 C CG2 . VAL A 1 210 ? 4.191   -10.153 16.370 1.00 34.02 ? 210 VAL A CG2 1 
ATOM   1663 N N   . LYS A 1 211 ? 4.329   -10.876 11.865 1.00 30.53 ? 211 LYS A N   1 
ATOM   1664 C CA  . LYS A 1 211 ? 4.021   -11.419 10.552 1.00 27.41 ? 211 LYS A CA  1 
ATOM   1665 C C   . LYS A 1 211 ? 4.704   -12.772 10.501 1.00 42.51 ? 211 LYS A C   1 
ATOM   1666 O O   . LYS A 1 211 ? 5.934   -12.845 10.576 1.00 37.11 ? 211 LYS A O   1 
ATOM   1667 C CB  . LYS A 1 211 ? 4.535   -10.488 9.445  1.00 29.04 ? 211 LYS A CB  1 
ATOM   1668 C CG  . LYS A 1 211 ? 4.538   -11.063 8.039  1.00 32.10 ? 211 LYS A CG  1 
ATOM   1669 C CD  . LYS A 1 211 ? 3.324   -10.664 7.238  1.00 32.27 ? 211 LYS A CD  1 
ATOM   1670 C CE  . LYS A 1 211 ? 3.270   -11.431 5.922  1.00 39.14 ? 211 LYS A CE  1 
ATOM   1671 N NZ  . LYS A 1 211 ? 2.342   -10.805 4.945  1.00 57.50 ? 211 LYS A NZ  1 
ATOM   1672 N N   . ASN A 1 212 ? 3.912   -13.833 10.382 1.00 39.81 ? 212 ASN A N   1 
ATOM   1673 C CA  . ASN A 1 212 ? 4.453   -15.192 10.321 1.00 41.93 ? 212 ASN A CA  1 
ATOM   1674 C C   . ASN A 1 212 ? 5.025   -15.531 8.939  1.00 44.85 ? 212 ASN A C   1 
ATOM   1675 O O   . ASN A 1 212 ? 5.951   -16.338 8.816  1.00 72.50 ? 212 ASN A O   1 
ATOM   1676 C CB  . ASN A 1 212 ? 3.373   -16.206 10.725 1.00 44.28 ? 212 ASN A CB  1 
ATOM   1677 C CG  . ASN A 1 212 ? 2.765   -15.899 12.087 1.00 82.20 ? 212 ASN A CG  1 
ATOM   1678 O OD1 . ASN A 1 212 ? 3.477   -15.732 13.075 1.00 58.89 ? 212 ASN A OD1 1 
ATOM   1679 N ND2 . ASN A 1 212 ? 1.438   -15.822 12.139 1.00 77.41 ? 212 ASN A ND2 1 
ATOM   1680 O OXT . ASN A 1 212 ? 4.587   -14.996 7.914  1.00 47.29 ? 212 ASN A OXT 1 
HETATM 1681 C C1  . E64 B 2 .   ? 2.630   13.804  15.848 0.77 26.03 ? 301 E64 A C1  1 
HETATM 1682 O O1  . E64 B 2 .   ? 1.950   13.617  14.839 0.77 26.03 ? 301 E64 A O1  1 
HETATM 1683 O O2  . E64 B 2 .   ? 3.606   14.617  15.932 0.77 26.03 ? 301 E64 A O2  1 
HETATM 1684 C C2  . E64 B 2 .   ? 2.304   13.002  17.116 0.77 26.03 ? 301 E64 A C2  1 
HETATM 1685 C C3  . E64 B 2 .   ? 0.817   13.049  17.483 0.77 26.03 ? 301 E64 A C3  1 
HETATM 1686 O O3  . E64 B 2 .   ? 0.481   14.302  18.038 0.77 26.03 ? 301 E64 A O3  1 
HETATM 1687 C C4  . E64 B 2 .   ? 0.373   11.836  18.331 0.77 26.03 ? 301 E64 A C4  1 
HETATM 1688 O O4  . E64 B 2 .   ? -0.297  10.941  17.837 0.77 26.03 ? 301 E64 A O4  1 
HETATM 1689 N N1  . E64 B 2 .   ? 0.743   11.786  19.619 0.77 26.03 ? 301 E64 A N1  1 
HETATM 1690 C C6  . E64 B 2 .   ? 0.337   10.669  20.451 0.77 26.03 ? 301 E64 A C6  1 
HETATM 1691 C C7  . E64 B 2 .   ? 1.287   10.475  21.614 0.77 26.03 ? 301 E64 A C7  1 
HETATM 1692 C C8  . E64 B 2 .   ? 2.395   9.462   21.351 0.77 26.03 ? 301 E64 A C8  1 
HETATM 1693 C C9  . E64 B 2 .   ? 2.781   8.834   22.688 0.77 26.03 ? 301 E64 A C9  1 
HETATM 1694 C C10 . E64 B 2 .   ? 1.951   8.404   20.341 0.77 26.03 ? 301 E64 A C10 1 
HETATM 1695 C C11 . E64 B 2 .   ? -1.043  10.978  21.027 0.77 26.03 ? 301 E64 A C11 1 
HETATM 1696 O O5  . E64 B 2 .   ? -1.272  12.084  21.498 0.77 26.03 ? 301 E64 A O5  1 
HETATM 1697 N N2  . E64 B 2 .   ? -1.927  9.967   20.981 0.77 26.03 ? 301 E64 A N2  1 
HETATM 1698 C C12 . E64 B 2 .   ? -3.282  10.044  21.480 0.77 26.03 ? 301 E64 A C12 1 
HETATM 1699 C C13 . E64 B 2 .   ? -4.192  10.929  20.631 0.77 26.03 ? 301 E64 A C13 1 
HETATM 1700 C C14 . E64 B 2 .   ? -4.798  12.090  21.410 0.77 26.03 ? 301 E64 A C14 1 
HETATM 1701 C C15 . E64 B 2 .   ? -5.899  12.812  20.635 0.77 26.03 ? 301 E64 A C15 1 
HETATM 1702 N N3  . E64 B 2 .   ? -7.189  12.790  21.304 0.77 26.03 ? 301 E64 A N3  1 
HETATM 1703 C C16 . E64 B 2 .   ? -8.240  13.533  20.932 0.77 26.03 ? 301 E64 A C16 1 
HETATM 1704 N N4  . E64 B 2 .   ? -8.203  14.379  19.908 0.77 26.03 ? 301 E64 A N4  1 
HETATM 1705 N N5  . E64 B 2 .   ? -9.384  13.421  21.618 0.77 26.03 ? 301 E64 A N5  1 
HETATM 1706 O O   . HOH C 3 .   ? 6.790   -0.894  25.455 1.00 14.47 ? 401 HOH A O   1 
HETATM 1707 O O   . HOH C 3 .   ? 9.020   3.686   23.050 1.00 18.04 ? 402 HOH A O   1 
HETATM 1708 O O   . HOH C 3 .   ? 15.844  14.908  0.663  1.00 14.49 ? 403 HOH A O   1 
HETATM 1709 O O   . HOH C 3 .   ? 5.496   5.086   3.752  1.00 14.25 ? 404 HOH A O   1 
HETATM 1710 O O   . HOH C 3 .   ? 3.151   -5.767  -0.394 1.00 16.67 ? 405 HOH A O   1 
HETATM 1711 O O   . HOH C 3 .   ? 11.477  17.089  23.837 1.00 20.07 ? 406 HOH A O   1 
HETATM 1712 O O   . HOH C 3 .   ? 21.090  9.417   8.935  1.00 13.39 ? 407 HOH A O   1 
HETATM 1713 O O   . HOH C 3 .   ? 24.712  4.550   32.589 1.00 16.14 ? 408 HOH A O   1 
HETATM 1714 O O   . HOH C 3 .   ? 13.179  18.479  5.521  1.00 16.38 ? 409 HOH A O   1 
HETATM 1715 O O   . HOH C 3 .   ? 17.717  6.296   26.147 1.00 11.19 ? 410 HOH A O   1 
HETATM 1716 O O   . HOH C 3 .   ? 16.270  -0.528  30.870 1.00 12.96 ? 411 HOH A O   1 
HETATM 1717 O O   . HOH C 3 .   ? -17.132 2.617   11.139 1.00 23.94 ? 412 HOH A O   1 
HETATM 1718 O O   . HOH C 3 .   ? 4.952   16.852  15.140 1.00 12.34 ? 413 HOH A O   1 
HETATM 1719 O O   . HOH C 3 .   ? 4.990   3.232   19.839 1.00 12.63 ? 414 HOH A O   1 
HETATM 1720 O O   . HOH C 3 .   ? 11.778  15.681  3.261  1.00 11.95 ? 415 HOH A O   1 
HETATM 1721 O O   . HOH C 3 .   ? 9.748   17.582  3.564  1.00 16.97 ? 416 HOH A O   1 
HETATM 1722 O O   . HOH C 3 .   ? 17.966  -3.459  29.660 1.00 13.40 ? 417 HOH A O   1 
HETATM 1723 O O   . HOH C 3 .   ? 18.738  9.827   30.820 1.00 14.86 ? 418 HOH A O   1 
HETATM 1724 O O   . HOH C 3 .   ? -11.672 7.941   17.514 1.00 19.68 ? 419 HOH A O   1 
HETATM 1725 O O   . HOH C 3 .   ? -2.391  -1.026  -2.649 1.00 13.17 ? 420 HOH A O   1 
HETATM 1726 O O   A HOH C 3 .   ? 10.919  2.432   6.625  0.57 10.41 ? 421 HOH A O   1 
HETATM 1727 O O   B HOH C 3 .   ? 11.155  0.338   7.521  0.43 10.41 ? 421 HOH A O   1 
HETATM 1728 O O   . HOH C 3 .   ? 8.130   5.351   6.166  1.00 13.96 ? 422 HOH A O   1 
HETATM 1729 O O   . HOH C 3 .   ? 0.043   7.242   2.639  1.00 14.50 ? 423 HOH A O   1 
HETATM 1730 O O   . HOH C 3 .   ? 7.392   -11.077 12.654 1.00 23.20 ? 424 HOH A O   1 
HETATM 1731 O O   . HOH C 3 .   ? 15.580  8.871   2.948  1.00 13.70 ? 425 HOH A O   1 
HETATM 1732 O O   . HOH C 3 .   ? 1.784   -7.696  22.921 1.00 14.61 ? 426 HOH A O   1 
HETATM 1733 O O   . HOH C 3 .   ? 22.585  18.826  17.191 1.00 13.32 ? 427 HOH A O   1 
HETATM 1734 O O   . HOH C 3 .   ? 2.152   3.987   21.451 1.00 9.23  ? 428 HOH A O   1 
HETATM 1735 O O   . HOH C 3 .   ? 7.322   13.270  2.421  1.00 13.05 ? 429 HOH A O   1 
HETATM 1736 O O   . HOH C 3 .   ? 28.394  -0.511  6.822  1.00 15.14 ? 430 HOH A O   1 
# 
