data_9NBP
# 
_entry.id   9NBP 
# 
_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   9NBP         pdb_00009nbp 10.2210/pdb9nbp/pdb 
WWPDB D_1000292996 ?            ?                   
# 
_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                        9NBP 
_pdbx_database_status.recvd_initial_deposition_date   2025-02-14 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB 'MicroED structure of the same protein in apo-form'                       9NAG unspecified 
PDB 'MicroED structure of the same protein co-crystallized with E-64'         9NAE unspecified 
PDB 'MicroED structure of the same protein soaked with a solution of E-64'    9NAR unspecified 
PDB 'MicroED structure of the 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.'    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    10 ?        ? ? ? 
# 
_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 12  HOH HOH A . 
C 3 HOH 2  402 3   HOH HOH A . 
C 3 HOH 3  403 6   HOH HOH A . 
C 3 HOH 4  404 1   HOH HOH A . 
C 3 HOH 5  405 5   HOH HOH A . 
C 3 HOH 6  406 9   HOH HOH A . 
C 3 HOH 7  407 4   HOH HOH A . 
C 3 HOH 8  408 7   HOH HOH A . 
C 3 HOH 9  409 11  HOH HOH A . 
C 3 HOH 10 410 13  HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A GLU 3  ? CD  ? A GLU 3  CD  
2 1 Y 1 A GLU 3  ? OE1 ? A GLU 3  OE1 
3 1 Y 1 A GLU 3  ? OE2 ? A GLU 3  OE2 
4 1 Y 1 A GLU 99 ? CD  ? A GLU 99 CD  
5 1 Y 1 A GLU 99 ? OE1 ? A GLU 99 OE1 
6 1 Y 1 A GLU 99 ? OE2 ? A GLU 99 OE2 
# 
_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                     9NBP 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     41.700 
_cell.length_a_esd                 ? 
_cell.length_b                     49.280 
_cell.length_b_esd                 ? 
_cell.length_c                     100.440 
_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                         9NBP 
_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                   9NBP 
_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                                 9NBP 
_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                            2.80 
_refine.ls_d_res_low                             50.22 
_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                     4926 
_refine.ls_number_reflns_R_free                  491 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    90.19 
_refine.ls_percent_reflns_R_free                 9.97 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2029 
_refine.ls_R_factor_R_free                       0.2461 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1979 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.correlation_coeff_I_to_Fcsqd_work        ? 
_refine.correlation_coeff_I_to_Fcsqd_free        ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.35 
_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                 20.25 
_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                            0.29 
_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 ? 1755 ? f_bond_d           ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 1.014 ? 2388 ? f_angle_d          ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 6.021 ? 258  ? f_dihedral_angle_d ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 0.071 ? 238  ? f_chiral_restr     ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 0.010 ? 315  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.correlation_coeff_Fo_to_Fc 
_refine_ls_shell.correlation_coeff_Fo_to_Fc_free 
_refine_ls_shell.correlation_coeff_I_to_Fcsqd_work 
_refine_ls_shell.correlation_coeff_I_to_Fcsqd_free 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'ELECTRON CRYSTALLOGRAPHY' 2.80 3.08  . . 121 1086 91.00 . . . . 0.2761 . . . . . . . . . . . . . . . 0.3110 
'ELECTRON CRYSTALLOGRAPHY' 3.08 3.53  . . 121 1101 91.00 . . . . 0.2233 . . . . . . . . . . . . . . . 0.3127 
'ELECTRON CRYSTALLOGRAPHY' 3.53 4.44  . . 123 1104 91.00 . . . . 0.1715 . . . . . . . . . . . . . . . 0.2134 
'ELECTRON CRYSTALLOGRAPHY' 4.45 50.22 . . 126 1144 88.00 . . . . 0.1660 . . . . . . . . . . . . . . . 0.2003 
# 
_struct.entry_id                     9NBP 
_struct.title                        
'MicroED structure of the papain-E-64 complex from microcrystals mixed on-grid with microarrayed ligand' 
_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        9NBP 
_struct_keywords.text            'Inhibitor, Complex, MicroED, Enzyme, HYDROLASE-INHIBITOR complex' 
_struct_keywords.pdbx_keywords   HYDROLASE/INHIBITOR 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    PAPA1_CARPA 
_struct_ref.pdbx_db_accession          P00784 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;IPEYVDWRQKGAVTPVKNQGSCGSCWAFSAVVTIEGIIKIRTGNLNEYSEQELLDCDRRSYGCNGGYPWSALQLVAQYGI
HYRNTYPYEGVQRYCRSREKGPYAAKTDGVRQVQPYNEGALLYSIANQPVSVVLEAAGKDFQLYRGGIFVGPCGNKVDHA
VAAVGYGPNYILIKNSWGTGWGENGYIRIKRGTGNSYGVCGLYTSSFYPVKN
;
_struct_ref.pdbx_align_begin           134 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9NBP 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 212 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00784 
_struct_ref_seq.db_align_beg                  134 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  345 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       212 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 650  ? 
1 MORE         3    ? 
1 'SSA (A^2)'  9290 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 SER A 24  ? GLY A 43  ? SER A 24  GLY A 43  1 ? 20 
HELX_P HELX_P2 AA2 SER A 49  ? ASP A 57  ? SER A 49  ASP A 57  1 ? 9  
HELX_P HELX_P3 AA3 TYR A 61  ? GLY A 65  ? TYR A 61  GLY A 65  5 ? 5  
HELX_P HELX_P4 AA4 TYR A 67  ? TYR A 78  ? TYR A 67  TYR A 78  1 ? 12 
HELX_P HELX_P5 AA5 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 ? ? ? ? ? ? ? 2.056 ? ? 
disulf2 disulf ?    ? A CYS 56  SG ? ? ? 1_555 A CYS 95  SG ? ? A CYS 56  A CYS 95  1_555 ? ? ? ? ? ? ? 2.031 ? ? 
disulf3 disulf ?    ? A CYS 153 SG ? ? ? 1_555 A CYS 200 SG ? ? A CYS 153 A CYS 200 1_555 ? ? ? ? ? ? ? 2.064 ? ? 
covale1 covale none ? A CYS 25  SG ? ? ? 1_555 B E64 .   C2 ? ? A CYS 25  A E64 301 1_555 ? ? ? ? ? ? ? 1.812 ? ? 
# 
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       4.01 
# 
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 GLY A 109 ? N GLY A 109 O VAL A 210 ? O VAL A 210 
# 
_pdbx_entry_details.entry_id                   9NBP 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ARG A 93  ? ? -129.49 -163.94 
2 1 ARG A 93  ? ? -129.49 -164.49 
3 1 ASP A 158 ? ? -152.85 7.24    
# 
_em_3d_fitting.id                1 
_em_3d_fitting.entry_id          9NBP 
_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                    9NBP 
_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                  2.8 
_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                        9NBP 
_em_imaging.id                              1 
_em_imaging.astigmatism                     ? 
_em_imaging.electron_beam_tilt_params       ? 
_em_imaging.residual_tilt                   ? 
_em_imaging.microscope_model                'TFS TALOS F200C' 
_em_imaging.specimen_holder_type            ? 
_em_imaging.specimen_holder_model           'GATAN 626 SINGLE TILT LIQUID NITROGEN CRYO TRANSFER HOLDER' 
_em_imaging.details                         ? 
_em_imaging.date                            ? 
_em_imaging.accelerating_voltage            200 
_em_imaging.illumination_mode               'FLOOD BEAM' 
_em_imaging.mode                            DIFFRACTION 
_em_imaging.nominal_cs                      ? 
_em_imaging.nominal_defocus_min             10000 
_em_imaging.nominal_defocus_max             10000 
_em_imaging.calibrated_defocus_min          ? 
_em_imaging.calibrated_defocus_max          ? 
_em_imaging.tilt_angle_min                  ? 
_em_imaging.tilt_angle_max                  ? 
_em_imaging.nominal_magnification           ? 
_em_imaging.calibrated_magnification        ? 
_em_imaging.electron_source                 'FIELD EMISSION GUN' 
_em_imaging.citation_id                     ? 
_em_imaging.temperature                     ? 
_em_imaging.detector_distance               ? 
_em_imaging.recording_temperature_minimum   100 
_em_imaging.recording_temperature_maximum   100 
_em_imaging.alignment_procedure             ? 
_em_imaging.c2_aperture_diameter            70 
_em_imaging.specimen_id                     1 
_em_imaging.cryogen                         NITROGEN 
_em_imaging.objective_aperture              ? 
_em_imaging.microscope_serial_number        ? 
_em_imaging.microscope_version              ? 
# 
_em_vitrification.entry_id              9NBP 
_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                9NBP 
_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              41.70 
_em_3d_crystal_entity.length_b              49.28 
_em_3d_crystal_entity.length_c              100.44 
_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    89.9 
_em_diffraction_shell.high_resolution           2.8 
_em_diffraction_shell.id                        1 
_em_diffraction_shell.low_resolution            2.9 
_em_diffraction_shell.multiplicity              5.2 
_em_diffraction_shell.num_structure_factors     471 
_em_diffraction_shell.phase_residual            30.1 
# 
_em_diffraction_stats.details                          ? 
_em_diffraction_stats.fourier_space_coverage           90.1 
_em_diffraction_stats.high_resolution                  2.8 
_em_diffraction_stats.id                               1 
_em_diffraction_stats.image_processing_id              1 
_em_diffraction_stats.num_intensities_measured         25374 
_em_diffraction_stats.num_structure_factors            4950 
_em_diffraction_stats.overall_phase_error              ? 
_em_diffraction_stats.overall_phase_residual           ? 
_em_diffraction_stats.phase_error_rejection_criteria   0 
_em_diffraction_stats.r_merge                          37.6 
_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         0.09 
_em_image_recording.details                             ? 
_em_image_recording.detector_mode                       ? 
_em_image_recording.film_or_detector_model              'DIRECT ELECTRON APOLLO (4k x 4k)' 
_em_image_recording.id                                  1 
_em_image_recording.imaging_id                          1 
_em_image_recording.num_diffraction_images              ? 
_em_image_recording.num_grids_imaged                    ? 
_em_image_recording.num_real_images                     ? 
# 
loop_
_em_software.category 
_em_software.details 
_em_software.id 
_em_software.image_processing_id 
_em_software.fitting_id 
_em_software.imaging_id 
_em_software.name 
_em_software.version 
'IMAGE ACQUISITION'             ? 1  ? ? 1 ? ? 
MASKING                         ? 2  ? ? ? ? ? 
'CTF CORRECTION'                ? 3  1 ? ? ? ? 
'LAYERLINE INDEXING'            ? 4  ? ? ? ? ? 
'DIFFRACTION INDEXING'          ? 5  ? ? ? ? ? 
'MODEL FITTING'                 ? 6  ? 1 ? ? ? 
OTHER                           ? 7  ? ? ? ? ? 
'MOLECULAR REPLACEMENT'         ? 8  1 ? ? ? ? 
'LATTICE DISTORTION CORRECTION' ? 9  1 ? ? ? ? 
'SYMMETRY DETERMINATION'        ? 10 1 ? ? ? ? 
'CRYSTALLOGRAPHY MERGING'       ? 11 1 ? ? ? ? 
RECONSTRUCTION                  ? 12 1 ? ? ? ? 
'MODEL REFINEMENT'              ? 13 ? 1 ? ? ? 
# 
_em_specimen.concentration           ? 
_em_specimen.details                 ? 
_em_specimen.embedding_applied       NO 
_em_specimen.experiment_id           1 
_em_specimen.id                      1 
_em_specimen.shadowing_applied       NO 
_em_specimen.staining_applied        NO 
_em_specimen.vitrification_applied   YES 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'National Science Foundation (NSF, United States)' 'United States' DMR-1548924       1 
'Howard Hughes Medical Institute (HHMI)'           'United States' HHMI-EPI          2 
'Department of Energy (DOE, United States)'        'United States' DE-FC02-02ER63421 3 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   9PAP 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9NBP 
_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]   0.023981 
_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]   0.020292 
_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]   0.009956 
_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   ? 21.987  -10.581 20.513 1.00 30.76 ? 1   ILE A N   1 
ATOM   2    C CA  . ILE A 1 1   ? 21.780  -9.566  19.478 1.00 22.03 ? 1   ILE A CA  1 
ATOM   3    C C   . ILE A 1 1   ? 23.077  -8.806  19.233 1.00 30.32 ? 1   ILE A C   1 
ATOM   4    O O   . ILE A 1 1   ? 23.908  -8.701  20.131 1.00 27.90 ? 1   ILE A O   1 
ATOM   5    C CB  . ILE A 1 1   ? 20.641  -8.601  19.863 1.00 17.00 ? 1   ILE A CB  1 
ATOM   6    C CG1 . ILE A 1 1   ? 21.051  -7.748  21.069 1.00 19.75 ? 1   ILE A CG1 1 
ATOM   7    C CG2 . ILE A 1 1   ? 19.379  -9.384  20.168 1.00 19.23 ? 1   ILE A CG2 1 
ATOM   8    C CD1 . ILE A 1 1   ? 19.972  -6.810  21.543 1.00 15.12 ? 1   ILE A CD1 1 
ATOM   9    N N   . PRO A 1 2   ? 23.267  -8.272  18.029 1.00 26.13 ? 2   PRO A N   1 
ATOM   10   C CA  . PRO A 1 2   ? 24.576  -7.717  17.679 1.00 25.35 ? 2   PRO A CA  1 
ATOM   11   C C   . PRO A 1 2   ? 24.728  -6.310  18.241 1.00 18.97 ? 2   PRO A C   1 
ATOM   12   O O   . PRO A 1 2   ? 23.780  -5.690  18.721 1.00 18.67 ? 2   PRO A O   1 
ATOM   13   C CB  . PRO A 1 2   ? 24.575  -7.721  16.145 1.00 29.66 ? 2   PRO A CB  1 
ATOM   14   C CG  . PRO A 1 2   ? 23.156  -7.590  15.773 1.00 23.02 ? 2   PRO A CG  1 
ATOM   15   C CD  . PRO A 1 2   ? 22.357  -8.297  16.865 1.00 17.39 ? 2   PRO A CD  1 
ATOM   16   N N   . GLU A 1 3   ? 25.976  -5.841  18.228 1.00 18.19 ? 3   GLU A N   1 
ATOM   17   C CA  . GLU A 1 3   ? 26.281  -4.536  18.798 1.00 26.14 ? 3   GLU A CA  1 
ATOM   18   C C   . GLU A 1 3   ? 25.643  -3.416  17.985 1.00 27.65 ? 3   GLU A C   1 
ATOM   19   O O   . GLU A 1 3   ? 25.245  -2.392  18.550 1.00 21.07 ? 3   GLU A O   1 
ATOM   20   C CB  . GLU A 1 3   ? 27.801  -4.355  18.887 1.00 26.01 ? 3   GLU A CB  1 
ATOM   21   C CG  . GLU A 1 3   ? 28.425  -4.873  20.190 1.00 18.19 ? 3   GLU A CG  1 
ATOM   22   N N   . TYR A 1 4   ? 25.521  -3.598  16.672 1.00 20.32 ? 4   TYR A N   1 
ATOM   23   C CA  . TYR A 1 4   ? 24.956  -2.591  15.791 1.00 21.39 ? 4   TYR A CA  1 
ATOM   24   C C   . TYR A 1 4   ? 23.822  -3.197  14.989 1.00 19.83 ? 4   TYR A C   1 
ATOM   25   O O   . TYR A 1 4   ? 23.940  -4.307  14.465 1.00 19.68 ? 4   TYR A O   1 
ATOM   26   C CB  . TYR A 1 4   ? 25.991  -2.067  14.815 1.00 22.31 ? 4   TYR A CB  1 
ATOM   27   C CG  . TYR A 1 4   ? 26.988  -1.154  15.435 1.00 29.85 ? 4   TYR A CG  1 
ATOM   28   C CD1 . TYR A 1 4   ? 26.734  0.202   15.530 1.00 39.98 ? 4   TYR A CD1 1 
ATOM   29   C CD2 . TYR A 1 4   ? 28.196  -1.641  15.914 1.00 34.49 ? 4   TYR A CD2 1 
ATOM   30   C CE1 . TYR A 1 4   ? 27.648  1.051   16.096 1.00 21.52 ? 4   TYR A CE1 1 
ATOM   31   C CE2 . TYR A 1 4   ? 29.119  -0.806  16.480 1.00 31.57 ? 4   TYR A CE2 1 
ATOM   32   C CZ  . TYR A 1 4   ? 28.840  0.545   16.576 1.00 20.54 ? 4   TYR A CZ  1 
ATOM   33   O OH  . TYR A 1 4   ? 29.746  1.413   17.148 1.00 30.93 ? 4   TYR A OH  1 
ATOM   34   N N   . VAL A 1 5   ? 22.737  -2.446  14.869 1.00 16.82 ? 5   VAL A N   1 
ATOM   35   C CA  . VAL A 1 5   ? 21.644  -2.769  13.968 1.00 17.12 ? 5   VAL A CA  1 
ATOM   36   C C   . VAL A 1 5   ? 21.327  -1.491  13.207 1.00 17.76 ? 5   VAL A C   1 
ATOM   37   O O   . VAL A 1 5   ? 21.348  -0.403  13.791 1.00 16.79 ? 5   VAL A O   1 
ATOM   38   C CB  . VAL A 1 5   ? 20.413  -3.307  14.724 1.00 16.79 ? 5   VAL A CB  1 
ATOM   39   C CG1 . VAL A 1 5   ? 19.221  -3.429  13.790 1.00 24.44 ? 5   VAL A CG1 1 
ATOM   40   C CG2 . VAL A 1 5   ? 20.746  -4.644  15.451 1.00 16.79 ? 5   VAL A CG2 1 
ATOM   41   N N   . ASP A 1 6   ? 21.075  -1.609  11.904 1.00 18.37 ? 6   ASP A N   1 
ATOM   42   C CA  . ASP A 1 6   ? 20.696  -0.452  11.092 1.00 18.37 ? 6   ASP A CA  1 
ATOM   43   C C   . ASP A 1 6   ? 19.845  -0.992  9.946  1.00 18.37 ? 6   ASP A C   1 
ATOM   44   O O   . ASP A 1 6   ? 20.379  -1.507  8.957  1.00 18.37 ? 6   ASP A O   1 
ATOM   45   C CB  . ASP A 1 6   ? 21.927  0.288   10.575 1.00 18.37 ? 6   ASP A CB  1 
ATOM   46   C CG  . ASP A 1 6   ? 21.580  1.592   9.845  1.00 25.74 ? 6   ASP A CG  1 
ATOM   47   O OD1 . ASP A 1 6   ? 20.405  1.793   9.451  1.00 20.65 ? 6   ASP A OD1 1 
ATOM   48   O OD2 . ASP A 1 6   ? 22.503  2.410   9.640  1.00 24.49 ? 6   ASP A OD2 1 
ATOM   49   N N   . TRP A 1 7   ? 18.525  -0.938  10.126 1.00 17.54 ? 7   TRP A N   1 
ATOM   50   C CA  . TRP A 1 7   ? 17.624  -1.495  9.126  1.00 17.54 ? 7   TRP A CA  1 
ATOM   51   C C   . TRP A 1 7   ? 17.686  -0.761  7.793  1.00 17.54 ? 7   TRP A C   1 
ATOM   52   O O   . TRP A 1 7   ? 17.224  -1.311  6.785  1.00 17.54 ? 7   TRP A O   1 
ATOM   53   C CB  . TRP A 1 7   ? 16.194  -1.511  9.665  1.00 17.54 ? 7   TRP A CB  1 
ATOM   54   C CG  . TRP A 1 7   ? 16.034  -2.636  10.621 1.00 18.77 ? 7   TRP A CG  1 
ATOM   55   C CD1 . TRP A 1 7   ? 15.893  -2.542  11.983 1.00 17.54 ? 7   TRP A CD1 1 
ATOM   56   C CD2 . TRP A 1 7   ? 16.144  -4.034  10.325 1.00 17.54 ? 7   TRP A CD2 1 
ATOM   57   N NE1 . TRP A 1 7   ? 15.835  -3.800  12.538 1.00 17.54 ? 7   TRP A NE1 1 
ATOM   58   C CE2 . TRP A 1 7   ? 15.996  -4.733  11.546 1.00 19.82 ? 7   TRP A CE2 1 
ATOM   59   C CE3 . TRP A 1 7   ? 16.316  -4.765  9.145  1.00 18.13 ? 7   TRP A CE3 1 
ATOM   60   C CZ2 . TRP A 1 7   ? 16.026  -6.124  11.618 1.00 18.13 ? 7   TRP A CZ2 1 
ATOM   61   C CZ3 . TRP A 1 7   ? 16.340  -6.150  9.220  1.00 17.54 ? 7   TRP A CZ3 1 
ATOM   62   C CH2 . TRP A 1 7   ? 16.198  -6.812  10.447 1.00 17.54 ? 7   TRP A CH2 1 
ATOM   63   N N   . ARG A 1 8   ? 18.230  0.465   7.759  1.00 15.47 ? 8   ARG A N   1 
ATOM   64   C CA  . ARG A 1 8   ? 18.422  1.128   6.473  1.00 15.47 ? 8   ARG A CA  1 
ATOM   65   C C   . ARG A 1 8   ? 19.403  0.346   5.613  1.00 15.47 ? 8   ARG A C   1 
ATOM   66   O O   . ARG A 1 8   ? 19.252  0.271   4.385  1.00 19.54 ? 8   ARG A O   1 
ATOM   67   C CB  . ARG A 1 8   ? 18.968  2.541   6.698  1.00 17.64 ? 8   ARG A CB  1 
ATOM   68   C CG  . ARG A 1 8   ? 18.089  3.429   7.535  1.00 16.63 ? 8   ARG A CG  1 
ATOM   69   C CD  . ARG A 1 8   ? 18.724  4.788   7.834  1.00 21.77 ? 8   ARG A CD  1 
ATOM   70   N NE  . ARG A 1 8   ? 19.914  4.719   8.675  1.00 33.36 ? 8   ARG A NE  1 
ATOM   71   C CZ  . ARG A 1 8   ? 20.576  5.781   9.122  1.00 37.34 ? 8   ARG A CZ  1 
ATOM   72   N NH1 . ARG A 1 8   ? 20.196  7.018   8.822  1.00 19.90 ? 8   ARG A NH1 1 
ATOM   73   N NH2 . ARG A 1 8   ? 21.645  5.599   9.894  1.00 22.42 ? 8   ARG A NH2 1 
ATOM   74   N N   . GLN A 1 9   ? 20.447  -0.210  6.244  1.00 16.14 ? 9   GLN A N   1 
ATOM   75   C CA  . GLN A 1 9   ? 21.455  -0.968  5.505  1.00 20.89 ? 9   GLN A CA  1 
ATOM   76   C C   . GLN A 1 9   ? 20.951  -2.323  5.042  1.00 19.77 ? 9   GLN A C   1 
ATOM   77   O O   . GLN A 1 9   ? 21.433  -2.839  4.029  1.00 22.89 ? 9   GLN A O   1 
ATOM   78   C CB  . GLN A 1 9   ? 22.747  -1.052  6.311  1.00 20.31 ? 9   GLN A CB  1 
ATOM   79   C CG  . GLN A 1 9   ? 23.331  0.340   6.461  1.00 66.78 ? 9   GLN A CG  1 
ATOM   80   C CD  . GLN A 1 9   ? 24.564  0.397   7.333  1.00 69.15 ? 9   GLN A CD  1 
ATOM   81   O OE1 . GLN A 1 9   ? 25.202  -0.625  7.582  1.00 64.19 ? 9   GLN A OE1 1 
ATOM   82   N NE2 . GLN A 1 9   ? 24.884  1.592   7.829  1.00 46.70 ? 9   GLN A NE2 1 
ATOM   83   N N   . LYS A 1 10  ? 20.007  -2.919  5.754  1.00 18.91 ? 10  LYS A N   1 
ATOM   84   C CA  . LYS A 1 10  ? 19.443  -4.186  5.309  1.00 18.91 ? 10  LYS A CA  1 
ATOM   85   C C   . LYS A 1 10  ? 18.316  -3.989  4.296  1.00 20.47 ? 10  LYS A C   1 
ATOM   86   O O   . LYS A 1 10  ? 17.664  -4.965  3.907  1.00 22.00 ? 10  LYS A O   1 
ATOM   87   C CB  . LYS A 1 10  ? 18.974  -5.004  6.523  1.00 26.29 ? 10  LYS A CB  1 
ATOM   88   C CG  . LYS A 1 10  ? 20.119  -5.419  7.462  1.00 32.90 ? 10  LYS A CG  1 
ATOM   89   C CD  . LYS A 1 10  ? 20.605  -6.830  7.222  1.00 56.35 ? 10  LYS A CD  1 
ATOM   90   C CE  . LYS A 1 10  ? 19.437  -7.794  7.043  1.00 69.06 ? 10  LYS A CE  1 
ATOM   91   N NZ  . LYS A 1 10  ? 19.791  -8.988  6.198  1.00 26.42 ? 10  LYS A NZ  1 
ATOM   92   N N   . GLY A 1 11  ? 18.093  -2.754  3.854  1.00 20.56 ? 11  GLY A N   1 
ATOM   93   C CA  . GLY A 1 11  ? 17.058  -2.449  2.880  1.00 20.56 ? 11  GLY A CA  1 
ATOM   94   C C   . GLY A 1 11  ? 15.627  -2.564  3.371  1.00 20.56 ? 11  GLY A C   1 
ATOM   95   O O   . GLY A 1 11  ? 14.731  -2.854  2.575  1.00 22.15 ? 11  GLY A O   1 
ATOM   96   N N   . ALA A 1 12  ? 15.379  -2.294  4.655  1.00 19.01 ? 12  ALA A N   1 
ATOM   97   C CA  . ALA A 1 12  ? 14.070  -2.480  5.267  1.00 19.01 ? 12  ALA A CA  1 
ATOM   98   C C   . ALA A 1 12  ? 13.415  -1.165  5.655  1.00 19.01 ? 12  ALA A C   1 
ATOM   99   O O   . ALA A 1 12  ? 12.389  -1.175  6.338  1.00 19.01 ? 12  ALA A O   1 
ATOM   100  C CB  . ALA A 1 12  ? 14.172  -3.379  6.494  1.00 19.01 ? 12  ALA A CB  1 
ATOM   101  N N   . VAL A 1 13  ? 13.965  -0.036  5.224  1.00 15.95 ? 13  VAL A N   1 
ATOM   102  C CA  . VAL A 1 13  ? 13.474  1.287   5.601  1.00 15.95 ? 13  VAL A CA  1 
ATOM   103  C C   . VAL A 1 13  ? 13.298  2.110   4.343  1.00 15.95 ? 13  VAL A C   1 
ATOM   104  O O   . VAL A 1 13  ? 14.223  2.218   3.533  1.00 15.95 ? 13  VAL A O   1 
ATOM   105  C CB  . VAL A 1 13  ? 14.392  2.013   6.598  1.00 15.95 ? 13  VAL A CB  1 
ATOM   106  C CG1 . VAL A 1 13  ? 13.751  3.299   7.016  1.00 15.95 ? 13  VAL A CG1 1 
ATOM   107  C CG2 . VAL A 1 13  ? 14.599  1.157   7.835  1.00 16.43 ? 13  VAL A CG2 1 
ATOM   108  N N   . THR A 1 14  ? 12.114  2.676   4.183  1.00 18.56 ? 14  THR A N   1 
ATOM   109  C CA  . THR A 1 14  ? 11.781  3.525   3.053  1.00 18.56 ? 14  THR A CA  1 
ATOM   110  C C   . THR A 1 14  ? 12.265  4.955   3.283  1.00 18.56 ? 14  THR A C   1 
ATOM   111  O O   . THR A 1 14  ? 12.713  5.303   4.375  1.00 18.56 ? 14  THR A O   1 
ATOM   112  C CB  . THR A 1 14  ? 10.268  3.456   2.841  1.00 18.56 ? 14  THR A CB  1 
ATOM   113  O OG1 . THR A 1 14  ? 9.591   4.128   3.916  1.00 18.56 ? 14  THR A OG1 1 
ATOM   114  C CG2 . THR A 1 14  ? 9.820   1.994   2.779  1.00 18.56 ? 14  THR A CG2 1 
ATOM   115  N N   . PRO A 1 15  ? 12.189  5.816   2.265  1.00 16.21 ? 15  PRO A N   1 
ATOM   116  C CA  . PRO A 1 15  ? 12.645  7.205   2.441  1.00 16.21 ? 15  PRO A CA  1 
ATOM   117  C C   . PRO A 1 15  ? 11.947  7.936   3.581  1.00 16.21 ? 15  PRO A C   1 
ATOM   118  O O   . PRO A 1 15  ? 10.802  7.641   3.930  1.00 16.21 ? 15  PRO A O   1 
ATOM   119  C CB  . PRO A 1 15  ? 12.313  7.847   1.087  1.00 19.00 ? 15  PRO A CB  1 
ATOM   120  C CG  . PRO A 1 15  ? 12.433  6.706   0.116  1.00 16.21 ? 15  PRO A CG  1 
ATOM   121  C CD  . PRO A 1 15  ? 11.904  5.511   0.846  1.00 16.21 ? 15  PRO A CD  1 
ATOM   122  N N   . VAL A 1 16  ? 12.660  8.911   4.161  1.00 15.90 ? 16  VAL A N   1 
ATOM   123  C CA  . VAL A 1 16  ? 12.094  9.734   5.231  1.00 20.08 ? 16  VAL A CA  1 
ATOM   124  C C   . VAL A 1 16  ? 10.929  10.561  4.701  1.00 15.90 ? 16  VAL A C   1 
ATOM   125  O O   . VAL A 1 16  ? 11.002  11.155  3.617  1.00 15.90 ? 16  VAL A O   1 
ATOM   126  C CB  . VAL A 1 16  ? 13.164  10.653  5.850  1.00 16.03 ? 16  VAL A CB  1 
ATOM   127  C CG1 . VAL A 1 16  ? 12.522  11.766  6.646  1.00 16.39 ? 16  VAL A CG1 1 
ATOM   128  C CG2 . VAL A 1 16  ? 14.081  9.880   6.732  1.00 15.90 ? 16  VAL A CG2 1 
ATOM   129  N N   . LYS A 1 17  ? 9.857   10.633  5.482  1.00 20.14 ? 17  LYS A N   1 
ATOM   130  C CA  . LYS A 1 17  ? 8.646   11.359  5.114  1.00 20.14 ? 17  LYS A CA  1 
ATOM   131  C C   . LYS A 1 17  ? 8.511   12.619  5.960  1.00 20.14 ? 17  LYS A C   1 
ATOM   132  O O   . LYS A 1 17  ? 9.242   12.831  6.934  1.00 20.14 ? 17  LYS A O   1 
ATOM   133  C CB  . LYS A 1 17  ? 7.394   10.492  5.267  1.00 20.22 ? 17  LYS A CB  1 
ATOM   134  C CG  . LYS A 1 17  ? 7.426   9.141   4.582  1.00 22.73 ? 17  LYS A CG  1 
ATOM   135  C CD  . LYS A 1 17  ? 7.761   9.248   3.103  1.00 22.48 ? 17  LYS A CD  1 
ATOM   136  C CE  . LYS A 1 17  ? 7.478   7.915   2.414  1.00 20.14 ? 17  LYS A CE  1 
ATOM   137  N NZ  . LYS A 1 17  ? 8.197   6.812   3.135  1.00 20.14 ? 17  LYS A NZ  1 
ATOM   138  N N   . ASN A 1 18  ? 7.572   13.472  5.556  1.00 16.43 ? 18  ASN A N   1 
ATOM   139  C CA  . ASN A 1 18  ? 7.231   14.684  6.290  1.00 13.43 ? 18  ASN A CA  1 
ATOM   140  C C   . ASN A 1 18  ? 5.744   14.670  6.592  1.00 13.43 ? 18  ASN A C   1 
ATOM   141  O O   . ASN A 1 18  ? 4.919   14.710  5.671  1.00 18.75 ? 18  ASN A O   1 
ATOM   142  C CB  . ASN A 1 18  ? 7.598   15.946  5.495  1.00 13.43 ? 18  ASN A CB  1 
ATOM   143  C CG  . ASN A 1 18  ? 7.384   17.219  6.294  1.00 15.96 ? 18  ASN A CG  1 
ATOM   144  O OD1 . ASN A 1 18  ? 6.960   17.180  7.447  1.00 14.07 ? 18  ASN A OD1 1 
ATOM   145  N ND2 . ASN A 1 18  ? 7.695   18.351  5.691  1.00 23.30 ? 18  ASN A ND2 1 
ATOM   146  N N   . GLN A 1 19  ? 5.401   14.603  7.885  1.00 17.48 ? 19  GLN A N   1 
ATOM   147  C CA  . GLN A 1 19  ? 3.991   14.602  8.243  1.00 17.48 ? 19  GLN A CA  1 
ATOM   148  C C   . GLN A 1 19  ? 3.367   15.980  8.090  1.00 17.48 ? 19  GLN A C   1 
ATOM   149  O O   . GLN A 1 19  ? 2.136   16.076  8.056  1.00 17.48 ? 19  GLN A O   1 
ATOM   150  C CB  . GLN A 1 19  ? 3.799   14.082  9.664  1.00 17.48 ? 19  GLN A CB  1 
ATOM   151  C CG  . GLN A 1 19  ? 4.344   14.996  10.739 1.00 17.48 ? 19  GLN A CG  1 
ATOM   152  C CD  . GLN A 1 19  ? 4.271   14.370  12.111 1.00 17.48 ? 19  GLN A CD  1 
ATOM   153  O OE1 . GLN A 1 19  ? 5.144   13.598  12.490 1.00 19.79 ? 19  GLN A OE1 1 
ATOM   154  N NE2 . GLN A 1 19  ? 3.216   14.670  12.848 1.00 18.17 ? 19  GLN A NE2 1 
ATOM   155  N N   . GLY A 1 20  ? 4.171   17.049  8.001  1.00 17.97 ? 20  GLY A N   1 
ATOM   156  C CA  . GLY A 1 20  ? 3.506   18.333  7.892  1.00 13.28 ? 20  GLY A CA  1 
ATOM   157  C C   . GLY A 1 20  ? 2.890   18.741  9.217  1.00 18.09 ? 20  GLY A C   1 
ATOM   158  O O   . GLY A 1 20  ? 3.313   18.328  10.307 1.00 22.22 ? 20  GLY A O   1 
ATOM   159  N N   . SER A 1 21  ? 1.873   19.595  9.111  1.00 22.38 ? 21  SER A N   1 
ATOM   160  C CA  . SER A 1 21  ? 1.222   20.125  10.300 1.00 29.11 ? 21  SER A CA  1 
ATOM   161  C C   . SER A 1 21  ? 0.315   19.095  10.961 1.00 32.53 ? 21  SER A C   1 
ATOM   162  O O   . SER A 1 21  ? -0.025  19.248  12.139 1.00 53.81 ? 21  SER A O   1 
ATOM   163  C CB  . SER A 1 21  ? 0.421   21.383  9.952  1.00 22.00 ? 21  SER A CB  1 
ATOM   164  O OG  . SER A 1 21  ? 1.279   22.459  9.610  1.00 63.01 ? 21  SER A OG  1 
ATOM   165  N N   . CYS A 1 22  ? -0.064  18.048  10.233 1.00 28.60 ? 22  CYS A N   1 
ATOM   166  C CA  . CYS A 1 22  ? -0.987  17.043  10.745 1.00 28.60 ? 22  CYS A CA  1 
ATOM   167  C C   . CYS A 1 22  ? -0.355  16.245  11.880 1.00 28.60 ? 22  CYS A C   1 
ATOM   168  O O   . CYS A 1 22  ? 0.824   15.885  11.833 1.00 30.60 ? 22  CYS A O   1 
ATOM   169  C CB  . CYS A 1 22  ? -1.408  16.108  9.600  1.00 34.98 ? 22  CYS A CB  1 
ATOM   170  S SG  . CYS A 1 22  ? -2.441  14.652  10.043 1.00 30.92 ? 22  CYS A SG  1 
ATOM   171  N N   . GLY A 1 23  ? -1.128  16.019  12.933 1.00 24.02 ? 23  GLY A N   1 
ATOM   172  C CA  . GLY A 1 23  ? -0.643  15.196  14.020 1.00 25.41 ? 23  GLY A CA  1 
ATOM   173  C C   . GLY A 1 23  ? -0.746  13.719  13.703 1.00 24.02 ? 23  GLY A C   1 
ATOM   174  O O   . GLY A 1 23  ? -1.411  12.979  14.434 1.00 24.02 ? 23  GLY A O   1 
ATOM   175  N N   . SER A 1 24  ? -0.067  13.258  12.651 1.00 17.34 ? 24  SER A N   1 
ATOM   176  C CA  . SER A 1 24  ? -0.186  11.883  12.181 1.00 17.34 ? 24  SER A CA  1 
ATOM   177  C C   . SER A 1 24  ? 1.040   11.047  12.495 1.00 17.34 ? 24  SER A C   1 
ATOM   178  O O   . SER A 1 24  ? 1.249   10.004  11.870 1.00 17.47 ? 24  SER A O   1 
ATOM   179  C CB  . SER A 1 24  ? -0.453  11.871  10.678 1.00 17.34 ? 24  SER A CB  1 
ATOM   180  O OG  . SER A 1 24  ? 0.489   12.659  9.956  1.00 17.34 ? 24  SER A OG  1 
ATOM   181  N N   . CYS A 1 25  ? 1.853   11.483  13.456 1.00 18.14 ? 25  CYS A N   1 
ATOM   182  C CA  . CYS A 1 25  ? 3.096   10.782  13.765 1.00 18.14 ? 25  CYS A CA  1 
ATOM   183  C C   . CYS A 1 25  ? 2.853   9.301   14.055 1.00 18.14 ? 25  CYS A C   1 
ATOM   184  O O   . CYS A 1 25  ? 3.651   8.438   13.660 1.00 18.14 ? 25  CYS A O   1 
ATOM   185  C CB  . CYS A 1 25  ? 3.769   11.457  14.957 1.00 36.42 ? 25  CYS A CB  1 
ATOM   186  S SG  . CYS A 1 25  ? 2.724   11.395  16.435 1.00 36.42 ? 25  CYS A SG  1 
ATOM   187  N N   . TRP A 1 26  ? 1.761   8.996   14.764 1.00 20.90 ? 26  TRP A N   1 
ATOM   188  C CA  . TRP A 1 26  ? 1.431   7.615   15.104 1.00 20.90 ? 26  TRP A CA  1 
ATOM   189  C C   . TRP A 1 26  ? 1.264   6.759   13.860 1.00 20.90 ? 26  TRP A C   1 
ATOM   190  O O   . TRP A 1 26  ? 1.749   5.615   13.806 1.00 20.90 ? 26  TRP A O   1 
ATOM   191  C CB  . TRP A 1 26  ? 0.153   7.588   15.937 1.00 20.90 ? 26  TRP A CB  1 
ATOM   192  C CG  . TRP A 1 26  ? -0.996  8.289   15.257 1.00 20.90 ? 26  TRP A CG  1 
ATOM   193  C CD1 . TRP A 1 26  ? -1.279  9.637   15.292 1.00 20.90 ? 26  TRP A CD1 1 
ATOM   194  C CD2 . TRP A 1 26  ? -2.026  7.689   14.456 1.00 20.90 ? 26  TRP A CD2 1 
ATOM   195  N NE1 . TRP A 1 26  ? -2.411  9.901   14.552 1.00 20.90 ? 26  TRP A NE1 1 
ATOM   196  C CE2 . TRP A 1 26  ? -2.891  8.725   14.035 1.00 20.90 ? 26  TRP A CE2 1 
ATOM   197  C CE3 . TRP A 1 26  ? -2.304  6.375   14.051 1.00 20.90 ? 26  TRP A CE3 1 
ATOM   198  C CZ2 . TRP A 1 26  ? -4.006  8.485   13.237 1.00 20.90 ? 26  TRP A CZ2 1 
ATOM   199  C CZ3 . TRP A 1 26  ? -3.423  6.143   13.258 1.00 20.90 ? 26  TRP A CZ3 1 
ATOM   200  C CH2 . TRP A 1 26  ? -4.249  7.191   12.858 1.00 20.90 ? 26  TRP A CH2 1 
ATOM   201  N N   . ALA A 1 27  ? 0.709   7.344   12.800 1.00 20.46 ? 27  ALA A N   1 
ATOM   202  C CA  . ALA A 1 27  ? 0.549   6.595   11.563 1.00 20.46 ? 27  ALA A CA  1 
ATOM   203  C C   . ALA A 1 27  ? 1.872   6.418   10.835 1.00 20.46 ? 27  ALA A C   1 
ATOM   204  O O   . ALA A 1 27  ? 2.143   5.343   10.285 1.00 20.46 ? 27  ALA A O   1 
ATOM   205  C CB  . ALA A 1 27  ? -0.461  7.300   10.658 1.00 20.46 ? 27  ALA A CB  1 
ATOM   206  N N   . PHE A 1 28  ? 2.725   7.436   10.842 1.00 20.71 ? 28  PHE A N   1 
ATOM   207  C CA  . PHE A 1 28  ? 4.022   7.265   10.206 1.00 20.71 ? 28  PHE A CA  1 
ATOM   208  C C   . PHE A 1 28  ? 4.853   6.196   10.910 1.00 20.90 ? 28  PHE A C   1 
ATOM   209  O O   . PHE A 1 28  ? 5.468   5.349   10.257 1.00 20.71 ? 28  PHE A O   1 
ATOM   210  C CB  . PHE A 1 28  ? 4.758   8.598   10.164 1.00 20.71 ? 28  PHE A CB  1 
ATOM   211  C CG  . PHE A 1 28  ? 4.302   9.480   9.054  1.00 28.42 ? 28  PHE A CG  1 
ATOM   212  C CD1 . PHE A 1 28  ? 3.157   10.240  9.191  1.00 21.14 ? 28  PHE A CD1 1 
ATOM   213  C CD2 . PHE A 1 28  ? 4.958   9.489   7.844  1.00 21.25 ? 28  PHE A CD2 1 
ATOM   214  C CE1 . PHE A 1 28  ? 2.713   11.049  8.164  1.00 20.71 ? 28  PHE A CE1 1 
ATOM   215  C CE2 . PHE A 1 28  ? 4.511   10.289  6.813  1.00 26.24 ? 28  PHE A CE2 1 
ATOM   216  C CZ  . PHE A 1 28  ? 3.392   11.067  6.974  1.00 20.71 ? 28  PHE A CZ  1 
ATOM   217  N N   . SER A 1 29  ? 4.914   6.244   12.242 1.00 20.85 ? 29  SER A N   1 
ATOM   218  C CA  . SER A 1 29  ? 5.643   5.222   12.993 1.00 20.85 ? 29  SER A CA  1 
ATOM   219  C C   . SER A 1 29  ? 5.123   3.824   12.671 1.00 22.90 ? 29  SER A C   1 
ATOM   220  O O   . SER A 1 29  ? 5.906   2.906   12.357 1.00 20.85 ? 29  SER A O   1 
ATOM   221  C CB  . SER A 1 29  ? 5.585   5.505   14.494 1.00 20.85 ? 29  SER A CB  1 
ATOM   222  O OG  . SER A 1 29  ? 4.262   5.399   14.973 1.00 27.61 ? 29  SER A OG  1 
ATOM   223  N N   . ALA A 1 30  ? 3.801   3.636   12.739 1.00 17.35 ? 30  ALA A N   1 
ATOM   224  C CA  . ALA A 1 30  ? 3.274   2.316   12.420 1.00 17.35 ? 30  ALA A CA  1 
ATOM   225  C C   . ALA A 1 30  ? 3.693   1.901   11.014 1.00 18.51 ? 30  ALA A C   1 
ATOM   226  O O   . ALA A 1 30  ? 4.147   0.770   10.797 1.00 17.35 ? 30  ALA A O   1 
ATOM   227  C CB  . ALA A 1 30  ? 1.749   2.306   12.567 1.00 17.35 ? 30  ALA A CB  1 
ATOM   228  N N   . VAL A 1 31  ? 3.567   2.815   10.050 1.00 18.34 ? 31  VAL A N   1 
ATOM   229  C CA  . VAL A 1 31  ? 3.898   2.479   8.671  1.00 18.34 ? 31  VAL A CA  1 
ATOM   230  C C   . VAL A 1 31  ? 5.372   2.106   8.544  1.00 18.34 ? 31  VAL A C   1 
ATOM   231  O O   . VAL A 1 31  ? 5.738   1.236   7.745  1.00 18.34 ? 31  VAL A O   1 
ATOM   232  C CB  . VAL A 1 31  ? 3.493   3.635   7.736  1.00 18.34 ? 31  VAL A CB  1 
ATOM   233  C CG1 . VAL A 1 31  ? 4.168   3.513   6.363  1.00 18.34 ? 31  VAL A CG1 1 
ATOM   234  C CG2 . VAL A 1 31  ? 2.001   3.624   7.556  1.00 18.34 ? 31  VAL A CG2 1 
ATOM   235  N N   . VAL A 1 32  ? 6.250   2.808   9.262  1.00 15.15 ? 32  VAL A N   1 
ATOM   236  C CA  . VAL A 1 32  ? 7.665   2.445   9.219  1.00 15.15 ? 32  VAL A CA  1 
ATOM   237  C C   . VAL A 1 32  ? 7.831   0.992   9.640  1.00 15.15 ? 32  VAL A C   1 
ATOM   238  O O   . VAL A 1 32  ? 8.544   0.202   8.996  1.00 15.15 ? 32  VAL A O   1 
ATOM   239  C CB  . VAL A 1 32  ? 8.503   3.390   10.089 1.00 15.54 ? 32  VAL A CB  1 
ATOM   240  C CG1 . VAL A 1 32  ? 9.947   2.931   10.074 1.00 17.80 ? 32  VAL A CG1 1 
ATOM   241  C CG2 . VAL A 1 32  ? 8.393   4.778   9.565  1.00 15.15 ? 32  VAL A CG2 1 
ATOM   242  N N   . THR A 1 33  ? 7.118   0.601   10.690 1.00 16.61 ? 33  THR A N   1 
ATOM   243  C CA  . THR A 1 33  ? 7.262   -0.772  11.151 1.00 16.61 ? 33  THR A CA  1 
ATOM   244  C C   . THR A 1 33  ? 6.650   -1.762  10.155 1.00 17.67 ? 33  THR A C   1 
ATOM   245  O O   . THR A 1 33  ? 7.144   -2.887  10.013 1.00 16.61 ? 33  THR A O   1 
ATOM   246  C CB  . THR A 1 33  ? 6.665   -0.914  12.568 1.00 16.61 ? 33  THR A CB  1 
ATOM   247  O OG1 . THR A 1 33  ? 5.230   -0.816  12.543 1.00 16.61 ? 33  THR A OG1 1 
ATOM   248  C CG2 . THR A 1 33  ? 7.212   0.178   13.460 1.00 16.61 ? 33  THR A CG2 1 
ATOM   249  N N   . ILE A 1 34  ? 5.614   -1.357  9.421  1.00 16.62 ? 34  ILE A N   1 
ATOM   250  C CA  . ILE A 1 34  ? 5.018   -2.267  8.439  1.00 16.62 ? 34  ILE A CA  1 
ATOM   251  C C   . ILE A 1 34  ? 5.952   -2.468  7.237  1.00 16.62 ? 34  ILE A C   1 
ATOM   252  O O   . ILE A 1 34  ? 6.189   -3.597  6.791  1.00 16.62 ? 34  ILE A O   1 
ATOM   253  C CB  . ILE A 1 34  ? 3.650   -1.729  7.989  1.00 16.62 ? 34  ILE A CB  1 
ATOM   254  C CG1 . ILE A 1 34  ? 2.721   -1.674  9.205  1.00 16.62 ? 34  ILE A CG1 1 
ATOM   255  C CG2 . ILE A 1 34  ? 3.055   -2.620  6.857  1.00 16.62 ? 34  ILE A CG2 1 
ATOM   256  C CD1 . ILE A 1 34  ? 2.480   -3.000  9.871  1.00 40.10 ? 34  ILE A CD1 1 
ATOM   257  N N   . GLU A 1 35  ? 6.473   -1.374  6.679  1.00 19.14 ? 35  GLU A N   1 
ATOM   258  C CA  . GLU A 1 35  ? 7.442   -1.456  5.590  1.00 19.14 ? 35  GLU A CA  1 
ATOM   259  C C   . GLU A 1 35  ? 8.620   -2.338  5.991  1.00 19.14 ? 35  GLU A C   1 
ATOM   260  O O   . GLU A 1 35  ? 9.044   -3.223  5.226  1.00 19.14 ? 35  GLU A O   1 
ATOM   261  C CB  . GLU A 1 35  ? 7.880   -0.034  5.248  1.00 19.14 ? 35  GLU A CB  1 
ATOM   262  C CG  . GLU A 1 35  ? 6.731   0.810   4.706  1.00 19.14 ? 35  GLU A CG  1 
ATOM   263  C CD  . GLU A 1 35  ? 7.045   2.306   4.654  1.00 19.14 ? 35  GLU A CD  1 
ATOM   264  O OE1 . GLU A 1 35  ? 7.436   2.851   5.712  1.00 19.14 ? 35  GLU A OE1 1 
ATOM   265  O OE2 . GLU A 1 35  ? 6.870   2.948   3.589  1.00 19.14 ? 35  GLU A OE2 1 
ATOM   266  N N   . GLY A 1 36  ? 9.076   -2.202  7.244  1.00 17.48 ? 36  GLY A N   1 
ATOM   267  C CA  . GLY A 1 36  ? 10.225  -2.982  7.685  1.00 17.48 ? 36  GLY A CA  1 
ATOM   268  C C   . GLY A 1 36  ? 9.921   -4.462  7.777  1.00 17.48 ? 36  GLY A C   1 
ATOM   269  O O   . GLY A 1 36  ? 10.687  -5.299  7.283  1.00 17.48 ? 36  GLY A O   1 
ATOM   270  N N   . ILE A 1 37  ? 8.814   -4.810  8.433  1.00 21.81 ? 37  ILE A N   1 
ATOM   271  C CA  . ILE A 1 37  ? 8.518   -6.222  8.621  1.00 21.81 ? 37  ILE A CA  1 
ATOM   272  C C   . ILE A 1 37  ? 8.164   -6.879  7.291  1.00 21.81 ? 37  ILE A C   1 
ATOM   273  O O   . ILE A 1 37  ? 8.469   -8.063  7.081  1.00 21.81 ? 37  ILE A O   1 
ATOM   274  C CB  . ILE A 1 37  ? 7.405   -6.408  9.670  1.00 21.81 ? 37  ILE A CB  1 
ATOM   275  C CG1 . ILE A 1 37  ? 7.411   -7.849  10.178 1.00 21.81 ? 37  ILE A CG1 1 
ATOM   276  C CG2 . ILE A 1 37  ? 6.038   -5.999  9.105  1.00 21.81 ? 37  ILE A CG2 1 
ATOM   277  C CD1 . ILE A 1 37  ? 8.701   -8.259  10.793 1.00 21.81 ? 37  ILE A CD1 1 
ATOM   278  N N   . ILE A 1 38  ? 7.572   -6.129  6.352  1.00 21.00 ? 38  ILE A N   1 
ATOM   279  C CA  . ILE A 1 38  ? 7.274   -6.713  5.051  1.00 24.99 ? 38  ILE A CA  1 
ATOM   280  C C   . ILE A 1 38  ? 8.560   -7.006  4.291  1.00 23.23 ? 38  ILE A C   1 
ATOM   281  O O   . ILE A 1 38  ? 8.676   -8.047  3.636  1.00 21.97 ? 38  ILE A O   1 
ATOM   282  C CB  . ILE A 1 38  ? 6.353   -5.781  4.236  1.00 21.00 ? 38  ILE A CB  1 
ATOM   283  C CG1 . ILE A 1 38  ? 4.972   -5.658  4.869  1.00 23.06 ? 38  ILE A CG1 1 
ATOM   284  C CG2 . ILE A 1 38  ? 6.208   -6.272  2.776  1.00 21.00 ? 38  ILE A CG2 1 
ATOM   285  C CD1 . ILE A 1 38  ? 4.308   -6.967  5.090  1.00 21.00 ? 38  ILE A CD1 1 
ATOM   286  N N   . LYS A 1 39  ? 9.554   -6.111  4.371  1.00 23.24 ? 39  LYS A N   1 
ATOM   287  C CA  . LYS A 1 39  ? 10.834  -6.417  3.722  1.00 23.24 ? 39  LYS A CA  1 
ATOM   288  C C   . LYS A 1 39  ? 11.510  -7.615  4.359  1.00 23.24 ? 39  LYS A C   1 
ATOM   289  O O   . LYS A 1 39  ? 12.030  -8.497  3.662  1.00 23.24 ? 39  LYS A O   1 
ATOM   290  C CB  . LYS A 1 39  ? 11.788  -5.236  3.753  1.00 23.24 ? 39  LYS A CB  1 
ATOM   291  C CG  . LYS A 1 39  ? 12.733  -5.216  2.566  1.00 23.24 ? 39  LYS A CG  1 
ATOM   292  C CD  . LYS A 1 39  ? 14.069  -5.873  2.891  1.00 28.28 ? 39  LYS A CD  1 
ATOM   293  C CE  . LYS A 1 39  ? 14.995  -5.838  1.673  1.00 25.12 ? 39  LYS A CE  1 
ATOM   294  N NZ  . LYS A 1 39  ? 14.432  -6.519  0.468  1.00 23.24 ? 39  LYS A NZ  1 
ATOM   295  N N   . ILE A 1 40  ? 11.524  -7.654  5.684  1.00 23.55 ? 40  ILE A N   1 
ATOM   296  C CA  . ILE A 1 40  ? 12.170  -8.762  6.372  1.00 23.55 ? 40  ILE A CA  1 
ATOM   297  C C   . ILE A 1 40  ? 11.523  -10.092 5.992  1.00 23.55 ? 40  ILE A C   1 
ATOM   298  O O   . ILE A 1 40  ? 12.221  -11.079 5.722  1.00 23.64 ? 40  ILE A O   1 
ATOM   299  C CB  . ILE A 1 40  ? 12.141  -8.513  7.892  1.00 23.55 ? 40  ILE A CB  1 
ATOM   300  C CG1 . ILE A 1 40  ? 13.147  -7.408  8.259  1.00 26.05 ? 40  ILE A CG1 1 
ATOM   301  C CG2 . ILE A 1 40  ? 12.426  -9.804  8.646  1.00 23.97 ? 40  ILE A CG2 1 
ATOM   302  C CD1 . ILE A 1 40  ? 12.896  -6.749  9.605  1.00 23.55 ? 40  ILE A CD1 1 
ATOM   303  N N   . ARG A 1 41  ? 10.188  -10.134 5.915  1.00 22.77 ? 41  ARG A N   1 
ATOM   304  C CA  . ARG A 1 41  ? 9.522   -11.410 5.663  1.00 22.77 ? 41  ARG A CA  1 
ATOM   305  C C   . ARG A 1 41  ? 9.442   -11.789 4.190  1.00 30.87 ? 41  ARG A C   1 
ATOM   306  O O   . ARG A 1 41  ? 9.489   -12.981 3.867  1.00 31.50 ? 41  ARG A O   1 
ATOM   307  C CB  . ARG A 1 41  ? 8.115   -11.396 6.241  1.00 22.77 ? 41  ARG A CB  1 
ATOM   308  C CG  . ARG A 1 41  ? 8.079   -11.348 7.758  1.00 29.75 ? 41  ARG A CG  1 
ATOM   309  C CD  . ARG A 1 41  ? 8.521   -12.676 8.360  1.00 35.36 ? 41  ARG A CD  1 
ATOM   310  N NE  . ARG A 1 41  ? 8.509   -12.592 9.811  1.00 38.10 ? 41  ARG A NE  1 
ATOM   311  C CZ  . ARG A 1 41  ? 9.582   -12.337 10.545 1.00 47.13 ? 41  ARG A CZ  1 
ATOM   312  N NH1 . ARG A 1 41  ? 10.779  -12.202 9.995  1.00 51.68 ? 41  ARG A NH1 1 
ATOM   313  N NH2 . ARG A 1 41  ? 9.454   -12.218 11.863 1.00 50.12 ? 41  ARG A NH2 1 
ATOM   314  N N   . THR A 1 42  ? 9.355   -10.822 3.281  1.00 33.26 ? 42  THR A N   1 
ATOM   315  C CA  . THR A 1 42  ? 9.100   -11.133 1.885  1.00 25.96 ? 42  THR A CA  1 
ATOM   316  C C   . THR A 1 42  ? 10.224  -10.744 0.948  1.00 25.96 ? 42  THR A C   1 
ATOM   317  O O   . THR A 1 42  ? 10.236  -11.212 -0.196 1.00 29.36 ? 42  THR A O   1 
ATOM   318  C CB  . THR A 1 42  ? 7.817   -10.436 1.396  1.00 25.96 ? 42  THR A CB  1 
ATOM   319  O OG1 . THR A 1 42  ? 8.098   -9.049  1.115  1.00 25.96 ? 42  THR A OG1 1 
ATOM   320  C CG2 . THR A 1 42  ? 6.662   -10.594 2.418  1.00 26.71 ? 42  THR A CG2 1 
ATOM   321  N N   . GLY A 1 43  ? 11.162  -9.918  1.381  1.00 22.71 ? 43  GLY A N   1 
ATOM   322  C CA  . GLY A 1 43  ? 12.215  -9.524  0.492  1.00 22.71 ? 43  GLY A CA  1 
ATOM   323  C C   . GLY A 1 43  ? 11.909  -8.296  -0.328 1.00 22.71 ? 43  GLY A C   1 
ATOM   324  O O   . GLY A 1 43  ? 12.804  -7.798  -1.026 1.00 22.71 ? 43  GLY A O   1 
ATOM   325  N N   . ASN A 1 44  ? 10.692  -7.765  -0.245 1.00 26.15 ? 44  ASN A N   1 
ATOM   326  C CA  . ASN A 1 44  ? 10.289  -6.613  -1.042 1.00 26.15 ? 44  ASN A CA  1 
ATOM   327  C C   . ASN A 1 44  ? 10.125  -5.421  -0.117 1.00 26.89 ? 44  ASN A C   1 
ATOM   328  O O   . ASN A 1 44  ? 9.473   -5.516  0.928  1.00 26.15 ? 44  ASN A O   1 
ATOM   329  C CB  . ASN A 1 44  ? 8.963   -6.850  -1.769 1.00 30.12 ? 44  ASN A CB  1 
ATOM   330  C CG  . ASN A 1 44  ? 8.968   -8.097  -2.629 1.00 31.31 ? 44  ASN A CG  1 
ATOM   331  O OD1 . ASN A 1 44  ? 9.909   -8.354  -3.393 1.00 33.50 ? 44  ASN A OD1 1 
ATOM   332  N ND2 . ASN A 1 44  ? 7.893   -8.875  -2.523 1.00 26.15 ? 44  ASN A ND2 1 
ATOM   333  N N   . LEU A 1 45  ? 10.703  -4.305  -0.513 1.00 19.66 ? 45  LEU A N   1 
ATOM   334  C CA  . LEU A 1 45  ? 10.519  -3.042  0.178  1.00 20.48 ? 45  LEU A CA  1 
ATOM   335  C C   . LEU A 1 45  ? 9.417   -2.283  -0.542 1.00 21.52 ? 45  LEU A C   1 
ATOM   336  O O   . LEU A 1 45  ? 9.572   -1.900  -1.706 1.00 21.18 ? 45  LEU A O   1 
ATOM   337  C CB  . LEU A 1 45  ? 11.805  -2.232  0.209  1.00 20.30 ? 45  LEU A CB  1 
ATOM   338  C CG  . LEU A 1 45  ? 11.622  -0.972  1.037  1.00 19.66 ? 45  LEU A CG  1 
ATOM   339  C CD1 . LEU A 1 45  ? 11.317  -1.363  2.483  1.00 19.89 ? 45  LEU A CD1 1 
ATOM   340  C CD2 . LEU A 1 45  ? 12.877  -0.117  0.919  1.00 27.10 ? 45  LEU A CD2 1 
ATOM   341  N N   . ASN A 1 46  ? 8.332   -2.028  0.159  1.00 19.29 ? 46  ASN A N   1 
ATOM   342  C CA  . ASN A 1 46  ? 7.236   -1.285  -0.419 1.00 19.29 ? 46  ASN A CA  1 
ATOM   343  C C   . ASN A 1 46  ? 6.966   -0.097  0.476  1.00 19.29 ? 46  ASN A C   1 
ATOM   344  O O   . ASN A 1 46  ? 7.300   -0.095  1.661  1.00 19.29 ? 46  ASN A O   1 
ATOM   345  C CB  . ASN A 1 46  ? 5.981   -2.153  -0.560 1.00 19.29 ? 46  ASN A CB  1 
ATOM   346  C CG  . ASN A 1 46  ? 6.264   -3.489  -1.228 1.00 19.29 ? 46  ASN A CG  1 
ATOM   347  O OD1 . ASN A 1 46  ? 6.287   -4.534  -0.579 1.00 27.34 ? 46  ASN A OD1 1 
ATOM   348  N ND2 . ASN A 1 46  ? 6.447   -3.458  -2.542 1.00 19.29 ? 46  ASN A ND2 1 
ATOM   349  N N   . GLU A 1 47  ? 6.312   0.899   -0.087 1.00 16.16 ? 47  GLU A N   1 
ATOM   350  C CA  . GLU A 1 47  ? 5.863   2.030   0.691  1.00 16.16 ? 47  GLU A CA  1 
ATOM   351  C C   . GLU A 1 47  ? 4.396   1.784   1.009  1.00 16.16 ? 47  GLU A C   1 
ATOM   352  O O   . GLU A 1 47  ? 3.620   1.414   0.120  1.00 16.16 ? 47  GLU A O   1 
ATOM   353  C CB  . GLU A 1 47  ? 6.019   3.262   -0.198 1.00 44.16 ? 47  GLU A CB  1 
ATOM   354  C CG  . GLU A 1 47  ? 7.466   3.616   -0.498 1.00 44.16 ? 47  GLU A CG  1 
ATOM   355  C CD  . GLU A 1 47  ? 7.887   5.005   -0.093 1.00 44.16 ? 47  GLU A CD  1 
ATOM   356  O OE1 . GLU A 1 47  ? 8.617   5.129   0.908  1.00 44.16 ? 47  GLU A OE1 1 
ATOM   357  O OE2 . GLU A 1 47  ? 7.545   5.979   -0.806 1.00 44.16 ? 47  GLU A OE2 1 
ATOM   358  N N   . TYR A 1 48  ? 4.001   2.001   2.257  1.00 20.03 ? 48  TYR A N   1 
ATOM   359  C CA  . TYR A 1 48  ? 2.608   1.778   2.607  1.00 19.38 ? 48  TYR A CA  1 
ATOM   360  C C   . TYR A 1 48  ? 1.979   3.082   3.051  1.00 19.38 ? 48  TYR A C   1 
ATOM   361  O O   . TYR A 1 48  ? 2.660   4.084   3.284  1.00 19.38 ? 48  TYR A O   1 
ATOM   362  C CB  . TYR A 1 48  ? 2.451   0.662   3.647  1.00 19.38 ? 48  TYR A CB  1 
ATOM   363  C CG  . TYR A 1 48  ? 2.852   -0.680  3.080  1.00 19.38 ? 48  TYR A CG  1 
ATOM   364  C CD1 . TYR A 1 48  ? 2.018   -1.326  2.172  1.00 19.38 ? 48  TYR A CD1 1 
ATOM   365  C CD2 . TYR A 1 48  ? 4.073   -1.257  3.359  1.00 19.38 ? 48  TYR A CD2 1 
ATOM   366  C CE1 . TYR A 1 48  ? 2.355   -2.525  1.607  1.00 20.60 ? 48  TYR A CE1 1 
ATOM   367  C CE2 . TYR A 1 48  ? 4.420   -2.475  2.788  1.00 22.23 ? 48  TYR A CE2 1 
ATOM   368  C CZ  . TYR A 1 48  ? 3.554   -3.093  1.911  1.00 22.15 ? 48  TYR A CZ  1 
ATOM   369  O OH  . TYR A 1 48  ? 3.884   -4.292  1.332  1.00 19.70 ? 48  TYR A OH  1 
ATOM   370  N N   . SER A 1 49  ? 0.661   3.045   3.190  1.00 19.41 ? 49  SER A N   1 
ATOM   371  C CA  . SER A 1 49  ? -0.129  4.265   3.256  1.00 19.41 ? 49  SER A CA  1 
ATOM   372  C C   . SER A 1 49  ? -0.286  4.686   4.711  1.00 19.41 ? 49  SER A C   1 
ATOM   373  O O   . SER A 1 49  ? -1.032  4.062   5.469  1.00 19.41 ? 49  SER A O   1 
ATOM   374  C CB  . SER A 1 49  ? -1.479  4.062   2.582  1.00 19.41 ? 49  SER A CB  1 
ATOM   375  O OG  . SER A 1 49  ? -2.033  2.826   2.986  1.00 19.41 ? 49  SER A OG  1 
ATOM   376  N N   . GLU A 1 50  ? 0.404   5.763   5.086  1.00 21.87 ? 50  GLU A N   1 
ATOM   377  C CA  . GLU A 1 50  ? 0.099   6.437   6.338  1.00 23.58 ? 50  GLU A CA  1 
ATOM   378  C C   . GLU A 1 50  ? -1.310  6.998   6.297  1.00 21.87 ? 50  GLU A C   1 
ATOM   379  O O   . GLU A 1 50  ? -2.029  6.966   7.302  1.00 21.87 ? 50  GLU A O   1 
ATOM   380  C CB  . GLU A 1 50  ? 1.126   7.540   6.594  1.00 21.87 ? 50  GLU A CB  1 
ATOM   381  C CG  . GLU A 1 50  ? 2.572   7.031   6.736  1.00 22.43 ? 50  GLU A CG  1 
ATOM   382  C CD  . GLU A 1 50  ? 3.364   7.005   5.428  1.00 28.05 ? 50  GLU A CD  1 
ATOM   383  O OE1 . GLU A 1 50  ? 2.790   7.323   4.359  1.00 21.87 ? 50  GLU A OE1 1 
ATOM   384  O OE2 . GLU A 1 50  ? 4.573   6.658   5.469  1.00 22.40 ? 50  GLU A OE2 1 
ATOM   385  N N   . GLN A 1 51  ? -1.726  7.503   5.133  1.00 21.29 ? 51  GLN A N   1 
ATOM   386  C CA  . GLN A 1 51  ? -3.047  8.110   5.004  1.00 21.29 ? 51  GLN A CA  1 
ATOM   387  C C   . GLN A 1 51  ? -4.146  7.101   5.300  1.00 21.29 ? 51  GLN A C   1 
ATOM   388  O O   . GLN A 1 51  ? -5.178  7.450   5.882  1.00 21.29 ? 51  GLN A O   1 
ATOM   389  C CB  . GLN A 1 51  ? -3.238  8.692   3.606  1.00 21.29 ? 51  GLN A CB  1 
ATOM   390  C CG  . GLN A 1 51  ? -4.552  9.409   3.455  1.00 21.29 ? 51  GLN A CG  1 
ATOM   391  C CD  . GLN A 1 51  ? -4.543  10.703  4.207  1.00 21.29 ? 51  GLN A CD  1 
ATOM   392  O OE1 . GLN A 1 51  ? -3.523  11.383  4.256  1.00 21.29 ? 51  GLN A OE1 1 
ATOM   393  N NE2 . GLN A 1 51  ? -5.664  11.046  4.824  1.00 21.29 ? 51  GLN A NE2 1 
ATOM   394  N N   . GLU A 1 52  ? -3.962  5.854   4.869  1.00 20.73 ? 52  GLU A N   1 
ATOM   395  C CA  . GLU A 1 52  ? -4.972  4.845   5.142  1.00 20.97 ? 52  GLU A CA  1 
ATOM   396  C C   . GLU A 1 52  ? -5.173  4.674   6.642  1.00 20.27 ? 52  GLU A C   1 
ATOM   397  O O   . GLU A 1 52  ? -6.310  4.588   7.113  1.00 20.27 ? 52  GLU A O   1 
ATOM   398  C CB  . GLU A 1 52  ? -4.582  3.516   4.498  1.00 20.27 ? 52  GLU A CB  1 
ATOM   399  C CG  . GLU A 1 52  ? -5.644  2.421   4.619  1.00 29.00 ? 52  GLU A CG  1 
ATOM   400  C CD  . GLU A 1 52  ? -5.374  1.236   3.694  1.00 20.27 ? 52  GLU A CD  1 
ATOM   401  O OE1 . GLU A 1 52  ? -4.201  1.014   3.321  1.00 25.40 ? 52  GLU A OE1 1 
ATOM   402  O OE2 . GLU A 1 52  ? -6.339  0.525   3.332  1.00 27.39 ? 52  GLU A OE2 1 
ATOM   403  N N   . LEU A 1 53  ? -4.083  4.637   7.409  1.00 17.71 ? 53  LEU A N   1 
ATOM   404  C CA  . LEU A 1 53  ? -4.214  4.496   8.852  1.00 17.71 ? 53  LEU A CA  1 
ATOM   405  C C   . LEU A 1 53  ? -4.850  5.732   9.451  1.00 17.71 ? 53  LEU A C   1 
ATOM   406  O O   . LEU A 1 53  ? -5.695  5.638   10.349 1.00 20.42 ? 53  LEU A O   1 
ATOM   407  C CB  . LEU A 1 53  ? -2.837  4.301   9.482  1.00 17.71 ? 53  LEU A CB  1 
ATOM   408  C CG  . LEU A 1 53  ? -1.893  3.192   9.031  1.00 17.71 ? 53  LEU A CG  1 
ATOM   409  C CD1 . LEU A 1 53  ? -0.613  3.276   9.841  1.00 19.96 ? 53  LEU A CD1 1 
ATOM   410  C CD2 . LEU A 1 53  ? -2.570  1.845   9.226  1.00 23.08 ? 53  LEU A CD2 1 
ATOM   411  N N   . LEU A 1 54  ? -4.438  6.899   8.966  1.00 18.32 ? 54  LEU A N   1 
ATOM   412  C CA  . LEU A 1 54  ? -5.007  8.168   9.409  1.00 26.70 ? 54  LEU A CA  1 
ATOM   413  C C   . LEU A 1 54  ? -6.529  8.192   9.220  1.00 18.32 ? 54  LEU A C   1 
ATOM   414  O O   . LEU A 1 54  ? -7.270  8.669   10.087 1.00 23.82 ? 54  LEU A O   1 
ATOM   415  C CB  . LEU A 1 54  ? -4.295  9.309   8.685  1.00 23.74 ? 54  LEU A CB  1 
ATOM   416  C CG  . LEU A 1 54  ? -4.633  10.735  9.058  1.00 32.17 ? 54  LEU A CG  1 
ATOM   417  C CD1 . LEU A 1 54  ? -4.161  10.887  10.448 1.00 22.75 ? 54  LEU A CD1 1 
ATOM   418  C CD2 . LEU A 1 54  ? -3.838  11.665  8.196  1.00 23.12 ? 54  LEU A CD2 1 
ATOM   419  N N   . ASP A 1 55  ? -7.008  7.739   8.056  1.00 19.78 ? 55  ASP A N   1 
ATOM   420  C CA  . ASP A 1 55  ? -8.438  7.773   7.752  1.00 21.93 ? 55  ASP A CA  1 
ATOM   421  C C   . ASP A 1 55  ? -9.204  6.665   8.459  1.00 34.02 ? 55  ASP A C   1 
ATOM   422  O O   . ASP A 1 55  ? -10.338 6.879   8.897  1.00 27.53 ? 55  ASP A O   1 
ATOM   423  C CB  . ASP A 1 55  ? -8.659  7.653   6.237  1.00 21.27 ? 55  ASP A CB  1 
ATOM   424  C CG  . ASP A 1 55  ? -8.115  8.844   5.454  1.00 24.25 ? 55  ASP A CG  1 
ATOM   425  O OD1 . ASP A 1 55  ? -7.866  9.916   6.054  1.00 23.09 ? 55  ASP A OD1 1 
ATOM   426  O OD2 . ASP A 1 55  ? -7.903  8.692   4.232  1.00 19.78 ? 55  ASP A OD2 1 
ATOM   427  N N   . CYS A 1 56  ? -8.613  5.476   8.570  1.00 20.40 ? 56  CYS A N   1 
ATOM   428  C CA  . CYS A 1 56  ? -9.372  4.270   8.874  1.00 22.47 ? 56  CYS A CA  1 
ATOM   429  C C   . CYS A 1 56  ? -9.178  3.745   10.285 1.00 20.49 ? 56  CYS A C   1 
ATOM   430  O O   . CYS A 1 56  ? -9.969  2.902   10.720 1.00 24.67 ? 56  CYS A O   1 
ATOM   431  C CB  . CYS A 1 56  ? -9.017  3.150   7.891  1.00 26.30 ? 56  CYS A CB  1 
ATOM   432  S SG  . CYS A 1 56  ? -9.285  3.615   6.189  1.00 23.64 ? 56  CYS A SG  1 
ATOM   433  N N   . ASP A 1 57  ? -8.145  4.182   10.997 1.00 17.81 ? 57  ASP A N   1 
ATOM   434  C CA  . ASP A 1 57  ? -7.960  3.697   12.360 1.00 24.82 ? 57  ASP A CA  1 
ATOM   435  C C   . ASP A 1 57  ? -8.922  4.456   13.261 1.00 24.92 ? 57  ASP A C   1 
ATOM   436  O O   . ASP A 1 57  ? -8.614  5.544   13.760 1.00 29.04 ? 57  ASP A O   1 
ATOM   437  C CB  . ASP A 1 57  ? -6.519  3.869   12.805 1.00 22.90 ? 57  ASP A CB  1 
ATOM   438  C CG  . ASP A 1 57  ? -6.296  3.367   14.187 1.00 29.46 ? 57  ASP A CG  1 
ATOM   439  O OD1 . ASP A 1 57  ? -7.245  2.801   14.778 1.00 18.36 ? 57  ASP A OD1 1 
ATOM   440  O OD2 . ASP A 1 57  ? -5.174  3.564   14.693 1.00 24.83 ? 57  ASP A OD2 1 
ATOM   441  N N   . ARG A 1 58  ? -10.049 3.815   13.561 1.00 14.63 ? 58  ARG A N   1 
ATOM   442  C CA  . ARG A 1 58  ? -11.091 4.458   14.343 1.00 29.72 ? 58  ARG A CA  1 
ATOM   443  C C   . ARG A 1 58  ? -10.680 4.657   15.787 1.00 21.99 ? 58  ARG A C   1 
ATOM   444  O O   . ARG A 1 58  ? -11.147 5.599   16.433 1.00 23.22 ? 58  ARG A O   1 
ATOM   445  C CB  . ARG A 1 58  ? -12.356 3.632   14.216 1.00 16.72 ? 58  ARG A CB  1 
ATOM   446  C CG  . ARG A 1 58  ? -12.938 3.761   12.830 1.00 38.42 ? 58  ARG A CG  1 
ATOM   447  C CD  . ARG A 1 58  ? -14.094 2.840   12.615 1.00 24.43 ? 58  ARG A CD  1 
ATOM   448  N NE  . ARG A 1 58  ? -13.593 1.477   12.546 1.00 61.90 ? 58  ARG A NE  1 
ATOM   449  C CZ  . ARG A 1 58  ? -14.316 0.439   12.162 1.00 65.08 ? 58  ARG A CZ  1 
ATOM   450  N NH1 . ARG A 1 58  ? -15.586 0.573   11.819 1.00 27.51 ? 58  ARG A NH1 1 
ATOM   451  N NH2 . ARG A 1 58  ? -13.748 -0.760  12.110 1.00 43.14 ? 58  ARG A NH2 1 
ATOM   452  N N   . ARG A 1 59  ? -9.807  3.800   16.314 1.00 22.62 ? 59  ARG A N   1 
ATOM   453  C CA  . ARG A 1 59  ? -9.355  4.012   17.682 1.00 29.62 ? 59  ARG A CA  1 
ATOM   454  C C   . ARG A 1 59  ? -8.512  5.270   17.809 1.00 22.63 ? 59  ARG A C   1 
ATOM   455  O O   . ARG A 1 59  ? -8.373  5.802   18.917 1.00 30.23 ? 59  ARG A O   1 
ATOM   456  C CB  . ARG A 1 59  ? -8.566  2.803   18.185 1.00 27.48 ? 59  ARG A CB  1 
ATOM   457  C CG  . ARG A 1 59  ? -9.421  1.742   18.857 1.00 35.61 ? 59  ARG A CG  1 
ATOM   458  C CD  . ARG A 1 59  ? -8.620  0.483   19.158 1.00 54.72 ? 59  ARG A CD  1 
ATOM   459  N NE  . ARG A 1 59  ? -9.409  -0.728  18.976 1.00 42.03 ? 59  ARG A NE  1 
ATOM   460  C CZ  . ARG A 1 59  ? -9.278  -1.547  17.942 1.00 77.41 ? 59  ARG A CZ  1 
ATOM   461  N NH1 . ARG A 1 59  ? -8.402  -1.311  16.977 1.00 77.48 ? 59  ARG A NH1 1 
ATOM   462  N NH2 . ARG A 1 59  ? -10.047 -2.629  17.872 1.00 48.68 ? 59  ARG A NH2 1 
ATOM   463  N N   . SER A 1 60  ? -7.951  5.754   16.707 1.00 23.85 ? 60  SER A N   1 
ATOM   464  C CA  . SER A 1 60  ? -7.107  6.931   16.748 1.00 23.19 ? 60  SER A CA  1 
ATOM   465  C C   . SER A 1 60  ? -7.947  8.163   16.412 1.00 21.75 ? 60  SER A C   1 
ATOM   466  O O   . SER A 1 60  ? -9.158  8.074   16.193 1.00 19.94 ? 60  SER A O   1 
ATOM   467  C CB  . SER A 1 60  ? -5.914  6.739   15.815 1.00 19.94 ? 60  SER A CB  1 
ATOM   468  O OG  . SER A 1 60  ? -5.017  5.778   16.356 1.00 19.94 ? 60  SER A OG  1 
ATOM   469  N N   . TYR A 1 61  ? -7.313  9.333   16.379 1.00 28.17 ? 61  TYR A N   1 
ATOM   470  C CA  . TYR A 1 61  ? -8.058  10.575  16.236 1.00 23.92 ? 61  TYR A CA  1 
ATOM   471  C C   . TYR A 1 61  ? -7.598  11.393  15.036 1.00 17.08 ? 61  TYR A C   1 
ATOM   472  O O   . TYR A 1 61  ? -7.629  12.625  15.071 1.00 18.80 ? 61  TYR A O   1 
ATOM   473  C CB  . TYR A 1 61  ? -7.973  11.401  17.518 1.00 17.08 ? 61  TYR A CB  1 
ATOM   474  C CG  . TYR A 1 61  ? -8.463  10.677  18.776 1.00 21.57 ? 61  TYR A CG  1 
ATOM   475  C CD1 . TYR A 1 61  ? -9.810  10.353  18.948 1.00 22.43 ? 61  TYR A CD1 1 
ATOM   476  C CD2 . TYR A 1 61  ? -7.578  10.329  19.794 1.00 29.41 ? 61  TYR A CD2 1 
ATOM   477  C CE1 . TYR A 1 61  ? -10.249 9.693   20.086 1.00 31.05 ? 61  TYR A CE1 1 
ATOM   478  C CE2 . TYR A 1 61  ? -8.014  9.683   20.936 1.00 54.18 ? 61  TYR A CE2 1 
ATOM   479  C CZ  . TYR A 1 61  ? -9.347  9.367   21.076 1.00 59.83 ? 61  TYR A CZ  1 
ATOM   480  O OH  . TYR A 1 61  ? -9.775  8.723   22.213 1.00 47.80 ? 61  TYR A OH  1 
ATOM   481  N N   . GLY A 1 62  ? -7.184  10.720  13.967 1.00 19.40 ? 62  GLY A N   1 
ATOM   482  C CA  . GLY A 1 62  ? -6.781  11.416  12.752 1.00 25.88 ? 62  GLY A CA  1 
ATOM   483  C C   . GLY A 1 62  ? -5.606  12.353  12.971 1.00 19.24 ? 62  GLY A C   1 
ATOM   484  O O   . GLY A 1 62  ? -4.577  11.971  13.537 1.00 22.21 ? 62  GLY A O   1 
ATOM   485  N N   . CYS A 1 63  ? -5.739  13.595  12.494 1.00 31.85 ? 63  CYS A N   1 
ATOM   486  C CA  . CYS A 1 63  ? -4.678  14.582  12.666 1.00 28.99 ? 63  CYS A CA  1 
ATOM   487  C C   . CYS A 1 63  ? -4.630  15.176  14.063 1.00 28.99 ? 63  CYS A C   1 
ATOM   488  O O   . CYS A 1 63  ? -3.748  15.995  14.346 1.00 36.44 ? 63  CYS A O   1 
ATOM   489  C CB  . CYS A 1 63  ? -4.817  15.705  11.632 1.00 30.16 ? 63  CYS A CB  1 
ATOM   490  S SG  . CYS A 1 63  ? -4.426  15.170  9.914  1.00 33.87 ? 63  CYS A SG  1 
ATOM   491  N N   . ASN A 1 64  ? -5.534  14.782  14.947 1.00 30.90 ? 64  ASN A N   1 
ATOM   492  C CA  . ASN A 1 64  ? -5.470  15.221  16.325 1.00 32.42 ? 64  ASN A CA  1 
ATOM   493  C C   . ASN A 1 64  ? -4.715  14.222  17.188 1.00 34.95 ? 64  ASN A C   1 
ATOM   494  O O   . ASN A 1 64  ? -4.768  14.314  18.418 1.00 46.24 ? 64  ASN A O   1 
ATOM   495  C CB  . ASN A 1 64  ? -6.883  15.447  16.866 1.00 30.90 ? 64  ASN A CB  1 
ATOM   496  C CG  . ASN A 1 64  ? -7.563  16.640  16.231 1.00 46.00 ? 64  ASN A CG  1 
ATOM   497  O OD1 . ASN A 1 64  ? -8.606  16.508  15.589 1.00 52.91 ? 64  ASN A OD1 1 
ATOM   498  N ND2 . ASN A 1 64  ? -6.957  17.813  16.381 1.00 48.44 ? 64  ASN A ND2 1 
ATOM   499  N N   . GLY A 1 65  ? -4.026  13.268  16.570 1.00 31.67 ? 65  GLY A N   1 
ATOM   500  C CA  . GLY A 1 65  ? -3.209  12.313  17.288 1.00 24.06 ? 65  GLY A CA  1 
ATOM   501  C C   . GLY A 1 65  ? -3.842  10.932  17.256 1.00 20.83 ? 65  GLY A C   1 
ATOM   502  O O   . GLY A 1 65  ? -4.922  10.719  16.702 1.00 26.35 ? 65  GLY A O   1 
ATOM   503  N N   . GLY A 1 66  ? -3.140  9.976   17.848 1.00 21.31 ? 66  GLY A N   1 
ATOM   504  C CA  . GLY A 1 66  ? -3.595  8.608   17.743 1.00 21.31 ? 66  GLY A CA  1 
ATOM   505  C C   . GLY A 1 66  ? -2.634  7.664   18.414 1.00 21.31 ? 66  GLY A C   1 
ATOM   506  O O   . GLY A 1 66  ? -1.765  8.073   19.184 1.00 22.42 ? 66  GLY A O   1 
ATOM   507  N N   . TYR A 1 67  ? -2.835  6.378   18.144 1.00 21.62 ? 67  TYR A N   1 
ATOM   508  C CA  . TYR A 1 67  ? -2.171  5.328   18.898 1.00 21.59 ? 67  TYR A CA  1 
ATOM   509  C C   . TYR A 1 67  ? -1.500  4.424   17.879 1.00 21.84 ? 67  TYR A C   1 
ATOM   510  O O   . TYR A 1 67  ? -2.203  3.767   17.080 1.00 22.72 ? 67  TYR A O   1 
ATOM   511  C CB  . TYR A 1 67  ? -3.171  4.553   19.748 1.00 21.59 ? 67  TYR A CB  1 
ATOM   512  C CG  . TYR A 1 67  ? -3.972  5.472   20.624 1.00 21.59 ? 67  TYR A CG  1 
ATOM   513  C CD1 . TYR A 1 67  ? -3.432  6.008   21.791 1.00 21.59 ? 67  TYR A CD1 1 
ATOM   514  C CD2 . TYR A 1 67  ? -5.267  5.840   20.264 1.00 29.02 ? 67  TYR A CD2 1 
ATOM   515  C CE1 . TYR A 1 67  ? -4.169  6.877   22.588 1.00 33.58 ? 67  TYR A CE1 1 
ATOM   516  C CE2 . TYR A 1 67  ? -6.008  6.708   21.059 1.00 36.64 ? 67  TYR A CE2 1 
ATOM   517  C CZ  . TYR A 1 67  ? -5.453  7.224   22.219 1.00 45.98 ? 67  TYR A CZ  1 
ATOM   518  O OH  . TYR A 1 67  ? -6.181  8.081   23.010 1.00 57.12 ? 67  TYR A OH  1 
ATOM   519  N N   . PRO A 1 68  ? -0.177  4.346   17.871 1.00 27.60 ? 68  PRO A N   1 
ATOM   520  C CA  . PRO A 1 68  ? 0.501   3.371   16.997 1.00 25.42 ? 68  PRO A CA  1 
ATOM   521  C C   . PRO A 1 68  ? 0.020   1.933   17.184 1.00 25.42 ? 68  PRO A C   1 
ATOM   522  O O   . PRO A 1 68  ? -0.052  1.168   16.204 1.00 25.42 ? 68  PRO A O   1 
ATOM   523  C CB  . PRO A 1 68  ? 1.976   3.549   17.375 1.00 29.41 ? 68  PRO A CB  1 
ATOM   524  C CG  . PRO A 1 68  ? 2.043   4.995   17.843 1.00 25.42 ? 68  PRO A CG  1 
ATOM   525  C CD  . PRO A 1 68  ? 0.757   5.255   18.551 1.00 25.42 ? 68  PRO A CD  1 
ATOM   526  N N   . TRP A 1 69  ? -0.341  1.546   18.405 1.00 30.13 ? 69  TRP A N   1 
ATOM   527  C CA  . TRP A 1 69  ? -0.854  0.198   18.599 1.00 27.18 ? 69  TRP A CA  1 
ATOM   528  C C   . TRP A 1 69  ? -2.159  -0.007  17.828 1.00 27.18 ? 69  TRP A C   1 
ATOM   529  O O   . TRP A 1 69  ? -2.381  -1.075  17.246 1.00 27.18 ? 69  TRP A O   1 
ATOM   530  C CB  . TRP A 1 69  ? -1.021  -0.082  20.098 1.00 32.03 ? 69  TRP A CB  1 
ATOM   531  C CG  . TRP A 1 69  ? -2.349  0.322   20.648 1.00 31.14 ? 69  TRP A CG  1 
ATOM   532  C CD1 . TRP A 1 69  ? -2.675  1.517   21.255 1.00 32.58 ? 69  TRP A CD1 1 
ATOM   533  C CD2 . TRP A 1 69  ? -3.545  -0.466  20.643 1.00 39.51 ? 69  TRP A CD2 1 
ATOM   534  N NE1 . TRP A 1 69  ? -4.006  1.511   21.620 1.00 34.42 ? 69  TRP A NE1 1 
ATOM   535  C CE2 . TRP A 1 69  ? -4.561  0.309   21.254 1.00 42.10 ? 69  TRP A CE2 1 
ATOM   536  C CE3 . TRP A 1 69  ? -3.858  -1.749  20.179 1.00 67.41 ? 69  TRP A CE3 1 
ATOM   537  C CZ2 . TRP A 1 69  ? -5.862  -0.165  21.411 1.00 56.37 ? 69  TRP A CZ2 1 
ATOM   538  C CZ3 . TRP A 1 69  ? -5.146  -2.212  20.332 1.00 38.91 ? 69  TRP A CZ3 1 
ATOM   539  C CH2 . TRP A 1 69  ? -6.133  -1.424  20.943 1.00 44.43 ? 69  TRP A CH2 1 
ATOM   540  N N   . SER A 1 70  ? -3.018  1.018   17.781 1.00 24.98 ? 70  SER A N   1 
ATOM   541  C CA  . SER A 1 70  ? -4.268  0.891   17.036 1.00 24.98 ? 70  SER A CA  1 
ATOM   542  C C   . SER A 1 70  ? -4.012  0.734   15.546 1.00 24.98 ? 70  SER A C   1 
ATOM   543  O O   . SER A 1 70  ? -4.686  -0.054  14.875 1.00 24.98 ? 70  SER A O   1 
ATOM   544  C CB  . SER A 1 70  ? -5.162  2.099   17.278 1.00 24.98 ? 70  SER A CB  1 
ATOM   545  O OG  . SER A 1 70  ? -5.333  2.332   18.658 1.00 36.31 ? 70  SER A OG  1 
ATOM   546  N N   . ALA A 1 71  ? -3.041  1.472   15.008 1.00 19.01 ? 71  ALA A N   1 
ATOM   547  C CA  . ALA A 1 71  ? -2.747  1.375   13.584 1.00 17.90 ? 71  ALA A CA  1 
ATOM   548  C C   . ALA A 1 71  ? -2.170  0.020   13.234 1.00 25.10 ? 71  ALA A C   1 
ATOM   549  O O   . ALA A 1 71  ? -2.510  -0.567  12.195 1.00 17.90 ? 71  ALA A O   1 
ATOM   550  C CB  . ALA A 1 71  ? -1.777  2.474   13.173 1.00 17.90 ? 71  ALA A CB  1 
ATOM   551  N N   . LEU A 1 72  ? -1.311  -0.506  14.100 1.00 22.14 ? 72  LEU A N   1 
ATOM   552  C CA  . LEU A 1 72  ? -0.727  -1.807  13.810 1.00 22.14 ? 72  LEU A CA  1 
ATOM   553  C C   . LEU A 1 72  ? -1.768  -2.902  13.924 1.00 22.23 ? 72  LEU A C   1 
ATOM   554  O O   . LEU A 1 72  ? -1.809  -3.826  13.096 1.00 22.14 ? 72  LEU A O   1 
ATOM   555  C CB  . LEU A 1 72  ? 0.427   -2.075  14.764 1.00 22.14 ? 72  LEU A CB  1 
ATOM   556  C CG  . LEU A 1 72  ? 1.634   -1.204  14.453 1.00 22.14 ? 72  LEU A CG  1 
ATOM   557  C CD1 . LEU A 1 72  ? 2.703   -1.412  15.520 1.00 22.14 ? 72  LEU A CD1 1 
ATOM   558  C CD2 . LEU A 1 72  ? 2.139   -1.431  13.025 1.00 22.14 ? 72  LEU A CD2 1 
ATOM   559  N N   . GLN A 1 73  ? -2.645  -2.794  14.917 1.00 26.78 ? 73  GLN A N   1 
ATOM   560  C CA  . GLN A 1 73  ? -3.728  -3.754  15.015 1.00 26.78 ? 73  GLN A CA  1 
ATOM   561  C C   . GLN A 1 73  ? -4.675  -3.612  13.826 1.00 26.78 ? 73  GLN A C   1 
ATOM   562  O O   . GLN A 1 73  ? -5.257  -4.604  13.377 1.00 26.78 ? 73  GLN A O   1 
ATOM   563  C CB  . GLN A 1 73  ? -4.446  -3.581  16.355 1.00 36.03 ? 73  GLN A CB  1 
ATOM   564  C CG  . GLN A 1 73  ? -5.391  -4.702  16.676 1.00 36.03 ? 73  GLN A CG  1 
ATOM   565  C CD  . GLN A 1 73  ? -6.769  -4.208  17.064 1.00 36.03 ? 73  GLN A CD  1 
ATOM   566  O OE1 . GLN A 1 73  ? -7.553  -3.775  16.206 1.00 36.03 ? 73  GLN A OE1 1 
ATOM   567  N NE2 . GLN A 1 73  ? -7.083  -4.274  18.361 1.00 36.03 ? 73  GLN A NE2 1 
ATOM   568  N N   . LEU A 1 74  ? -4.797  -2.401  13.265 1.00 21.32 ? 74  LEU A N   1 
ATOM   569  C CA  . LEU A 1 74  ? -5.624  -2.208  12.075 1.00 22.38 ? 74  LEU A CA  1 
ATOM   570  C C   . LEU A 1 74  ? -5.036  -2.952  10.882 1.00 21.66 ? 74  LEU A C   1 
ATOM   571  O O   . LEU A 1 74  ? -5.771  -3.564  10.098 1.00 23.21 ? 74  LEU A O   1 
ATOM   572  C CB  . LEU A 1 74  ? -5.745  -0.720  11.758 1.00 21.89 ? 74  LEU A CB  1 
ATOM   573  C CG  . LEU A 1 74  ? -6.702  -0.326  10.637 1.00 51.41 ? 74  LEU A CG  1 
ATOM   574  C CD1 . LEU A 1 74  ? -8.126  -0.748  10.969 1.00 37.63 ? 74  LEU A CD1 1 
ATOM   575  C CD2 . LEU A 1 74  ? -6.621  1.142   10.307 1.00 28.64 ? 74  LEU A CD2 1 
ATOM   576  N N   . VAL A 1 75  ? -3.711  -2.892  10.715 1.00 22.64 ? 75  VAL A N   1 
ATOM   577  C CA  . VAL A 1 75  ? -3.088  -3.613  9.598  1.00 22.64 ? 75  VAL A CA  1 
ATOM   578  C C   . VAL A 1 75  ? -3.162  -5.124  9.821  1.00 24.11 ? 75  VAL A C   1 
ATOM   579  O O   . VAL A 1 75  ? -3.258  -5.897  8.858  1.00 23.46 ? 75  VAL A O   1 
ATOM   580  C CB  . VAL A 1 75  ? -1.634  -3.162  9.357  1.00 22.64 ? 75  VAL A CB  1 
ATOM   581  C CG1 . VAL A 1 75  ? -0.997  -3.956  8.200  1.00 22.64 ? 75  VAL A CG1 1 
ATOM   582  C CG2 . VAL A 1 75  ? -1.606  -1.664  9.075  1.00 22.64 ? 75  VAL A CG2 1 
ATOM   583  N N   . ALA A 1 76  ? -3.151  -5.577  11.078 1.00 27.78 ? 76  ALA A N   1 
ATOM   584  C CA  . ALA A 1 76  ? -3.253  -7.015  11.298 1.00 24.40 ? 76  ALA A CA  1 
ATOM   585  C C   . ALA A 1 76  ? -4.667  -7.526  11.121 1.00 24.40 ? 76  ALA A C   1 
ATOM   586  O O   . ALA A 1 76  ? -4.850  -8.679  10.729 1.00 24.40 ? 76  ALA A O   1 
ATOM   587  C CB  . ALA A 1 76  ? -2.774  -7.381  12.700 1.00 24.40 ? 76  ALA A CB  1 
ATOM   588  N N   . GLN A 1 77  ? -5.669  -6.697  11.395 1.00 32.55 ? 77  GLN A N   1 
ATOM   589  C CA  . GLN A 1 77  ? -7.050  -7.152  11.319 1.00 31.59 ? 77  GLN A CA  1 
ATOM   590  C C   . GLN A 1 77  ? -7.556  -7.125  9.879  1.00 31.77 ? 77  GLN A C   1 
ATOM   591  O O   . GLN A 1 77  ? -8.285  -8.028  9.452  1.00 31.56 ? 77  GLN A O   1 
ATOM   592  C CB  . GLN A 1 77  ? -7.911  -6.283  12.253 1.00 29.50 ? 77  GLN A CB  1 
ATOM   593  C CG  . GLN A 1 77  ? -9.418  -6.261  11.984 1.00 33.09 ? 77  GLN A CG  1 
ATOM   594  C CD  . GLN A 1 77  ? -10.092 -7.595  12.282 1.00 52.11 ? 77  GLN A CD  1 
ATOM   595  O OE1 . GLN A 1 77  ? -9.455  -8.546  12.745 1.00 48.87 ? 77  GLN A OE1 1 
ATOM   596  N NE2 . GLN A 1 77  ? -11.390 -7.667  12.018 1.00 38.47 ? 77  GLN A NE2 1 
ATOM   597  N N   . TYR A 1 78  ? -7.163  -6.097  9.125  1.00 27.93 ? 78  TYR A N   1 
ATOM   598  C CA  . TYR A 1 78  ? -7.572  -5.906  7.733  1.00 27.93 ? 78  TYR A CA  1 
ATOM   599  C C   . TYR A 1 78  ? -6.357  -5.911  6.817  1.00 41.94 ? 78  TYR A C   1 
ATOM   600  O O   . TYR A 1 78  ? -6.217  -6.826  6.004  1.00 60.95 ? 78  TYR A O   1 
ATOM   601  C CB  . TYR A 1 78  ? -8.411  -4.641  7.559  1.00 32.00 ? 78  TYR A CB  1 
ATOM   602  C CG  . TYR A 1 78  ? -9.699  -4.664  8.341  1.00 35.30 ? 78  TYR A CG  1 
ATOM   603  C CD1 . TYR A 1 78  ? -10.594 -5.722  8.210  1.00 67.76 ? 78  TYR A CD1 1 
ATOM   604  C CD2 . TYR A 1 78  ? -10.027 -3.633  9.208  1.00 51.92 ? 78  TYR A CD2 1 
ATOM   605  C CE1 . TYR A 1 78  ? -11.782 -5.752  8.928  1.00 47.23 ? 78  TYR A CE1 1 
ATOM   606  C CE2 . TYR A 1 78  ? -11.218 -3.649  9.924  1.00 40.70 ? 78  TYR A CE2 1 
ATOM   607  C CZ  . TYR A 1 78  ? -12.087 -4.710  9.787  1.00 73.20 ? 78  TYR A CZ  1 
ATOM   608  O OH  . TYR A 1 78  ? -13.259 -4.714  10.510 1.00 55.50 ? 78  TYR A OH  1 
ATOM   609  N N   . GLY A 1 79  ? -5.512  -4.906  6.881  1.00 30.41 ? 79  GLY A N   1 
ATOM   610  C CA  . GLY A 1 79  ? -4.384  -4.818  5.982  1.00 28.88 ? 79  GLY A CA  1 
ATOM   611  C C   . GLY A 1 79  ? -4.060  -3.365  5.716  1.00 28.88 ? 79  GLY A C   1 
ATOM   612  O O   . GLY A 1 79  ? -4.526  -2.467  6.413  1.00 28.88 ? 79  GLY A O   1 
ATOM   613  N N   . ILE A 1 80  ? -3.217  -3.147  4.714  1.00 26.08 ? 80  ILE A N   1 
ATOM   614  C CA  . ILE A 1 80  ? -2.805  -1.792  4.387  1.00 30.85 ? 80  ILE A CA  1 
ATOM   615  C C   . ILE A 1 80  ? -2.503  -1.714  2.902  1.00 24.91 ? 80  ILE A C   1 
ATOM   616  O O   . ILE A 1 80  ? -2.094  -2.695  2.274  1.00 24.91 ? 80  ILE A O   1 
ATOM   617  C CB  . ILE A 1 80  ? -1.592  -1.346  5.235  1.00 27.19 ? 80  ILE A CB  1 
ATOM   618  C CG1 . ILE A 1 80  ? -1.365  0.165   5.103  1.00 24.91 ? 80  ILE A CG1 1 
ATOM   619  C CG2 . ILE A 1 80  ? -0.350  -2.128  4.831  1.00 24.91 ? 80  ILE A CG2 1 
ATOM   620  C CD1 . ILE A 1 80  ? -0.435  0.746   6.153  1.00 24.91 ? 80  ILE A CD1 1 
ATOM   621  N N   . HIS A 1 81  ? -2.771  -0.551  2.333  1.00 22.57 ? 81  HIS A N   1 
ATOM   622  C CA  . HIS A 1 81  ? -2.492  -0.307  0.935  1.00 22.57 ? 81  HIS A CA  1 
ATOM   623  C C   . HIS A 1 81  ? -1.116  0.313   0.726  1.00 22.57 ? 81  HIS A C   1 
ATOM   624  O O   . HIS A 1 81  ? -0.512  0.895   1.632  1.00 22.57 ? 81  HIS A O   1 
ATOM   625  C CB  . HIS A 1 81  ? -3.552  0.607   0.352  1.00 24.37 ? 81  HIS A CB  1 
ATOM   626  C CG  . HIS A 1 81  ? -4.861  -0.062  0.113  1.00 32.41 ? 81  HIS A CG  1 
ATOM   627  N ND1 . HIS A 1 81  ? -5.867  -0.092  1.050  1.00 26.88 ? 81  HIS A ND1 1 
ATOM   628  C CD2 . HIS A 1 81  ? -5.341  -0.696  -0.983 1.00 27.37 ? 81  HIS A CD2 1 
ATOM   629  C CE1 . HIS A 1 81  ? -6.908  -0.734  0.548  1.00 26.27 ? 81  HIS A CE1 1 
ATOM   630  N NE2 . HIS A 1 81  ? -6.613  -1.110  -0.684 1.00 27.56 ? 81  HIS A NE2 1 
ATOM   631  N N   . TYR A 1 82  ? -0.635  0.183   -0.505 1.00 21.67 ? 82  TYR A N   1 
ATOM   632  C CA  . TYR A 1 82  ? 0.578   0.851   -0.934 1.00 21.67 ? 82  TYR A CA  1 
ATOM   633  C C   . TYR A 1 82  ? 0.406   2.357   -0.828 1.00 21.67 ? 82  TYR A C   1 
ATOM   634  O O   . TYR A 1 82  ? -0.715  2.875   -0.844 1.00 21.67 ? 82  TYR A O   1 
ATOM   635  C CB  . TYR A 1 82  ? 0.896   0.493   -2.385 1.00 22.30 ? 82  TYR A CB  1 
ATOM   636  C CG  . TYR A 1 82  ? 1.401   -0.915  -2.612 1.00 22.67 ? 82  TYR A CG  1 
ATOM   637  C CD1 . TYR A 1 82  ? 2.461   -1.425  -1.873 1.00 29.71 ? 82  TYR A CD1 1 
ATOM   638  C CD2 . TYR A 1 82  ? 0.801   -1.749  -3.555 1.00 35.31 ? 82  TYR A CD2 1 
ATOM   639  C CE1 . TYR A 1 82  ? 2.918   -2.711  -2.079 1.00 22.21 ? 82  TYR A CE1 1 
ATOM   640  C CE2 . TYR A 1 82  ? 1.251   -3.037  -3.752 1.00 22.54 ? 82  TYR A CE2 1 
ATOM   641  C CZ  . TYR A 1 82  ? 2.310   -3.511  -3.014 1.00 27.78 ? 82  TYR A CZ  1 
ATOM   642  O OH  . TYR A 1 82  ? 2.768   -4.794  -3.207 1.00 35.79 ? 82  TYR A OH  1 
ATOM   643  N N   . ARG A 1 83  ? 1.519   3.060   -0.611 1.00 25.19 ? 83  ARG A N   1 
ATOM   644  C CA  . ARG A 1 83  ? 1.430   4.514   -0.531 1.00 25.19 ? 83  ARG A CA  1 
ATOM   645  C C   . ARG A 1 83  ? 0.902   5.103   -1.835 1.00 25.80 ? 83  ARG A C   1 
ATOM   646  O O   . ARG A 1 83  ? 0.155   6.083   -1.814 1.00 31.32 ? 83  ARG A O   1 
ATOM   647  C CB  . ARG A 1 83  ? 2.788   5.113   -0.184 1.00 25.19 ? 83  ARG A CB  1 
ATOM   648  C CG  . ARG A 1 83  ? 2.710   6.504   0.448  1.00 25.19 ? 83  ARG A CG  1 
ATOM   649  C CD  . ARG A 1 83  ? 4.122   7.008   0.785  1.00 30.49 ? 83  ARG A CD  1 
ATOM   650  N NE  . ARG A 1 83  ? 4.274   8.458   0.707  1.00 30.44 ? 83  ARG A NE  1 
ATOM   651  C CZ  . ARG A 1 83  ? 4.087   9.277   1.737  1.00 29.48 ? 83  ARG A CZ  1 
ATOM   652  N NH1 . ARG A 1 83  ? 3.693   8.823   2.919  1.00 28.46 ? 83  ARG A NH1 1 
ATOM   653  N NH2 . ARG A 1 83  ? 4.309   10.582  1.581  1.00 29.71 ? 83  ARG A NH2 1 
ATOM   654  N N   . ASN A 1 84  ? 1.254   4.497   -2.976 1.00 25.47 ? 84  ASN A N   1 
ATOM   655  C CA  . ASN A 1 84  ? 0.861   5.037   -4.278 1.00 29.65 ? 84  ASN A CA  1 
ATOM   656  C C   . ASN A 1 84  ? -0.637  4.891   -4.522 1.00 28.23 ? 84  ASN A C   1 
ATOM   657  O O   . ASN A 1 84  ? -1.263  5.772   -5.125 1.00 32.65 ? 84  ASN A O   1 
ATOM   658  C CB  . ASN A 1 84  ? 1.638   4.340   -5.395 1.00 56.11 ? 84  ASN A CB  1 
ATOM   659  C CG  . ASN A 1 84  ? 3.079   4.781   -5.459 1.00 75.71 ? 84  ASN A CG  1 
ATOM   660  O OD1 . ASN A 1 84  ? 3.480   5.732   -4.786 1.00 74.32 ? 84  ASN A OD1 1 
ATOM   661  N ND2 . ASN A 1 84  ? 3.874   4.085   -6.263 1.00 85.81 ? 84  ASN A ND2 1 
ATOM   662  N N   . THR A 1 85  ? -1.224  3.772   -4.093 1.00 19.24 ? 85  THR A N   1 
ATOM   663  C CA  . THR A 1 85  ? -2.668  3.606   -4.222 1.00 19.24 ? 85  THR A CA  1 
ATOM   664  C C   . THR A 1 85  ? -3.423  4.525   -3.265 1.00 28.58 ? 85  THR A C   1 
ATOM   665  O O   . THR A 1 85  ? -4.571  4.888   -3.545 1.00 28.79 ? 85  THR A O   1 
ATOM   666  C CB  . THR A 1 85  ? -3.086  2.142   -4.081 1.00 23.32 ? 85  THR A CB  1 
ATOM   667  O OG1 . THR A 1 85  ? -4.482  2.026   -4.380 1.00 49.54 ? 85  THR A OG1 1 
ATOM   668  C CG2 . THR A 1 85  ? -2.827  1.630   -2.713 1.00 30.80 ? 85  THR A CG2 1 
ATOM   669  N N   . TYR A 1 86  ? -2.815  4.894   -2.129 1.00 22.12 ? 86  TYR A N   1 
ATOM   670  C CA  . TYR A 1 86  ? -3.503  5.599   -1.040 1.00 19.28 ? 86  TYR A CA  1 
ATOM   671  C C   . TYR A 1 86  ? -2.539  6.638   -0.479 1.00 19.28 ? 86  TYR A C   1 
ATOM   672  O O   . TYR A 1 86  ? -2.070  6.541   0.661  1.00 19.81 ? 86  TYR A O   1 
ATOM   673  C CB  . TYR A 1 86  ? -3.933  4.610   0.046  1.00 24.38 ? 86  TYR A CB  1 
ATOM   674  C CG  . TYR A 1 86  ? -5.102  5.050   0.884  1.00 30.75 ? 86  TYR A CG  1 
ATOM   675  C CD1 . TYR A 1 86  ? -5.327  6.384   1.148  1.00 22.09 ? 86  TYR A CD1 1 
ATOM   676  C CD2 . TYR A 1 86  ? -5.990  4.118   1.418  1.00 19.28 ? 86  TYR A CD2 1 
ATOM   677  C CE1 . TYR A 1 86  ? -6.405  6.783   1.918  1.00 19.28 ? 86  TYR A CE1 1 
ATOM   678  C CE2 . TYR A 1 86  ? -7.059  4.509   2.191  1.00 19.28 ? 86  TYR A CE2 1 
ATOM   679  C CZ  . TYR A 1 86  ? -7.263  5.839   2.430  1.00 20.47 ? 86  TYR A CZ  1 
ATOM   680  O OH  . TYR A 1 86  ? -8.328  6.237   3.196  1.00 19.28 ? 86  TYR A OH  1 
ATOM   681  N N   . PRO A 1 87  ? -2.258  7.680   -1.262 1.00 22.61 ? 87  PRO A N   1 
ATOM   682  C CA  . PRO A 1 87  ? -1.194  8.628   -0.912 1.00 17.12 ? 87  PRO A CA  1 
ATOM   683  C C   . PRO A 1 87  ? -1.567  9.569   0.215  1.00 35.17 ? 87  PRO A C   1 
ATOM   684  O O   . PRO A 1 87  ? -2.729  9.714   0.595  1.00 19.13 ? 87  PRO A O   1 
ATOM   685  C CB  . PRO A 1 87  ? -0.977  9.411   -2.208 1.00 16.96 ? 87  PRO A CB  1 
ATOM   686  C CG  . PRO A 1 87  ? -2.285  9.279   -2.921 1.00 20.52 ? 87  PRO A CG  1 
ATOM   687  C CD  . PRO A 1 87  ? -2.747  7.909   -2.631 1.00 16.87 ? 87  PRO A CD  1 
ATOM   688  N N   . TYR A 1 88  ? -0.532  10.197  0.758  1.00 22.19 ? 88  TYR A N   1 
ATOM   689  C CA  . TYR A 1 88  ? -0.655  11.074  1.911  1.00 20.70 ? 88  TYR A CA  1 
ATOM   690  C C   . TYR A 1 88  ? -1.131  12.471  1.503  1.00 20.99 ? 88  TYR A C   1 
ATOM   691  O O   . TYR A 1 88  ? -0.597  13.067  0.560  1.00 21.93 ? 88  TYR A O   1 
ATOM   692  C CB  . TYR A 1 88  ? 0.689   11.175  2.634  1.00 20.63 ? 88  TYR A CB  1 
ATOM   693  C CG  . TYR A 1 88  ? 0.667   12.003  3.912  1.00 21.20 ? 88  TYR A CG  1 
ATOM   694  C CD1 . TYR A 1 88  ? -0.103  11.638  5.024  1.00 20.63 ? 88  TYR A CD1 1 
ATOM   695  C CD2 . TYR A 1 88  ? 1.408   13.184  3.995  1.00 20.63 ? 88  TYR A CD2 1 
ATOM   696  C CE1 . TYR A 1 88  ? -0.109  12.423  6.196  1.00 23.94 ? 88  TYR A CE1 1 
ATOM   697  C CE2 . TYR A 1 88  ? 1.400   13.964  5.150  1.00 20.63 ? 88  TYR A CE2 1 
ATOM   698  C CZ  . TYR A 1 88  ? 0.646   13.578  6.239  1.00 23.19 ? 88  TYR A CZ  1 
ATOM   699  O OH  . TYR A 1 88  ? 0.649   14.356  7.371  1.00 20.74 ? 88  TYR A OH  1 
ATOM   700  N N   . GLU A 1 89  ? -2.172  12.966  2.188  1.00 20.98 ? 89  GLU A N   1 
ATOM   701  C CA  . GLU A 1 89  ? -2.791  14.262  1.920  1.00 23.42 ? 89  GLU A CA  1 
ATOM   702  C C   . GLU A 1 89  ? -2.641  15.244  3.074  1.00 25.24 ? 89  GLU A C   1 
ATOM   703  O O   . GLU A 1 89  ? -2.926  16.433  2.894  1.00 30.06 ? 89  GLU A O   1 
ATOM   704  C CB  . GLU A 1 89  ? -4.280  14.134  1.522  1.00 20.98 ? 89  GLU A CB  1 
ATOM   705  C CG  . GLU A 1 89  ? -4.512  13.198  0.293  1.00 20.98 ? 89  GLU A CG  1 
ATOM   706  C CD  . GLU A 1 89  ? -5.699  12.235  0.402  1.00 31.12 ? 89  GLU A CD  1 
ATOM   707  O OE1 . GLU A 1 89  ? -6.845  12.701  0.595  1.00 53.43 ? 89  GLU A OE1 1 
ATOM   708  O OE2 . GLU A 1 89  ? -5.474  11.008  0.283  1.00 28.22 ? 89  GLU A OE2 1 
ATOM   709  N N   . GLY A 1 90  ? -2.189  14.795  4.240  1.00 17.72 ? 90  GLY A N   1 
ATOM   710  C CA  . GLY A 1 90  ? -1.944  15.710  5.335  1.00 20.79 ? 90  GLY A CA  1 
ATOM   711  C C   . GLY A 1 90  ? -3.194  16.195  6.026  1.00 24.28 ? 90  GLY A C   1 
ATOM   712  O O   . GLY A 1 90  ? -3.147  17.184  6.766  1.00 23.03 ? 90  GLY A O   1 
ATOM   713  N N   . VAL A 1 91  ? -4.314  15.518  5.804  1.00 17.13 ? 91  VAL A N   1 
ATOM   714  C CA  . VAL A 1 91  ? -5.591  15.845  6.428  1.00 16.40 ? 91  VAL A CA  1 
ATOM   715  C C   . VAL A 1 91  ? -6.391  14.552  6.522  1.00 22.30 ? 91  VAL A C   1 
ATOM   716  O O   . VAL A 1 91  ? -6.269  13.669  5.669  1.00 20.75 ? 91  VAL A O   1 
ATOM   717  C CB  . VAL A 1 91  ? -6.357  16.942  5.634  1.00 22.53 ? 91  VAL A CB  1 
ATOM   718  C CG1 . VAL A 1 91  ? -6.611  16.505  4.192  1.00 32.54 ? 91  VAL A CG1 1 
ATOM   719  C CG2 . VAL A 1 91  ? -7.662  17.336  6.325  1.00 25.61 ? 91  VAL A CG2 1 
ATOM   720  N N   . GLN A 1 92  ? -7.157  14.407  7.597  1.00 18.68 ? 92  GLN A N   1 
ATOM   721  C CA  . GLN A 1 92  ? -7.982  13.220  7.730  1.00 18.68 ? 92  GLN A CA  1 
ATOM   722  C C   . GLN A 1 92  ? -9.187  13.324  6.801  1.00 19.29 ? 92  GLN A C   1 
ATOM   723  O O   . GLN A 1 92  ? -9.816  14.382  6.684  1.00 28.93 ? 92  GLN A O   1 
ATOM   724  C CB  . GLN A 1 92  ? -8.456  13.028  9.167  1.00 19.91 ? 92  GLN A CB  1 
ATOM   725  C CG  . GLN A 1 92  ? -9.157  11.704  9.338  1.00 29.38 ? 92  GLN A CG  1 
ATOM   726  C CD  . GLN A 1 92  ? -9.712  11.508  10.709 1.00 30.98 ? 92  GLN A CD  1 
ATOM   727  O OE1 . GLN A 1 92  ? -9.664  12.406  11.546 1.00 27.29 ? 92  GLN A OE1 1 
ATOM   728  N NE2 . GLN A 1 92  ? -10.194 10.306  10.975 1.00 28.66 ? 92  GLN A NE2 1 
ATOM   729  N N   . ARG A 1 93  ? -9.483  12.228  6.112  1.00 23.07 ? 93  ARG A N   1 
ATOM   730  C CA  . ARG A 1 93  ? -10.638 12.166  5.224  1.00 26.70 ? 93  ARG A CA  1 
ATOM   731  C C   . ARG A 1 93  ? -11.464 10.919  5.540  1.00 17.15 ? 93  ARG A C   1 
ATOM   732  O O   . ARG A 1 93  ? -11.322 10.275  6.587  1.00 22.44 ? 93  ARG A O   1 
ATOM   733  C CB  . ARG A 1 93  ? -10.180 12.190  3.766  1.00 35.55 ? 93  ARG A CB  1 
ATOM   734  C CG  . ARG A 1 93  ? -9.484  13.456  3.384  1.00 24.87 ? 93  ARG A CG  1 
ATOM   735  C CD  . ARG A 1 93  ? -10.099 13.959  2.138  1.00 25.99 ? 93  ARG A CD  1 
ATOM   736  N NE  . ARG A 1 93  ? -9.442  13.389  0.974  1.00 52.07 ? 93  ARG A NE  1 
ATOM   737  C CZ  . ARG A 1 93  ? -9.798  13.653  -0.272 1.00 56.85 ? 93  ARG A CZ  1 
ATOM   738  N NH1 . ARG A 1 93  ? -10.799 14.474  -0.542 1.00 53.87 ? 93  ARG A NH1 1 
ATOM   739  N NH2 . ARG A 1 93  ? -9.127  13.089  -1.268 1.00 44.93 ? 93  ARG A NH2 1 
ATOM   740  N N   A TYR A 1 94  ? -12.342 10.561  4.610  0.43 24.51 ? 94  TYR A N   1 
ATOM   741  N N   B TYR A 1 94  ? -12.349 10.561  4.625  0.57 24.51 ? 94  TYR A N   1 
ATOM   742  C CA  A TYR A 1 94  ? -13.115 9.328   4.693  0.43 33.77 ? 94  TYR A CA  1 
ATOM   743  C CA  B TYR A 1 94  ? -13.109 9.332   4.774  0.57 33.77 ? 94  TYR A CA  1 
ATOM   744  C C   A TYR A 1 94  ? -12.211 8.109   4.513  0.43 25.16 ? 94  TYR A C   1 
ATOM   745  C C   B TYR A 1 94  ? -12.210 8.122   4.542  0.57 25.16 ? 94  TYR A C   1 
ATOM   746  O O   A TYR A 1 94  ? -11.312 8.107   3.666  0.43 23.26 ? 94  TYR A O   1 
ATOM   747  O O   B TYR A 1 94  ? -11.324 8.139   3.682  0.57 23.26 ? 94  TYR A O   1 
ATOM   748  C CB  A TYR A 1 94  ? -14.209 9.362   3.614  0.43 44.50 ? 94  TYR A CB  1 
ATOM   749  C CB  B TYR A 1 94  ? -14.279 9.327   3.793  0.57 44.50 ? 94  TYR A CB  1 
ATOM   750  C CG  A TYR A 1 94  ? -14.990 8.083   3.378  0.43 73.11 ? 94  TYR A CG  1 
ATOM   751  C CG  B TYR A 1 94  ? -15.059 10.619  3.802  0.57 73.11 ? 94  TYR A CG  1 
ATOM   752  C CD1 A TYR A 1 94  ? -15.899 7.613   4.320  0.43 70.97 ? 94  TYR A CD1 1 
ATOM   753  C CD1 B TYR A 1 94  ? -14.723 11.664  2.950  0.57 51.26 ? 94  TYR A CD1 1 
ATOM   754  C CD2 A TYR A 1 94  ? -14.851 7.373   2.188  0.43 51.26 ? 94  TYR A CD2 1 
ATOM   755  C CD2 B TYR A 1 94  ? -16.124 10.800  4.674  0.57 70.97 ? 94  TYR A CD2 1 
ATOM   756  C CE1 A TYR A 1 94  ? -16.625 6.455   4.098  0.43 47.59 ? 94  TYR A CE1 1 
ATOM   757  C CE1 B TYR A 1 94  ? -15.431 12.850  2.963  0.57 84.12 ? 94  TYR A CE1 1 
ATOM   758  C CE2 A TYR A 1 94  ? -15.574 6.214   1.956  0.43 84.12 ? 94  TYR A CE2 1 
ATOM   759  C CE2 B TYR A 1 94  ? -16.837 11.977  4.694  0.57 47.59 ? 94  TYR A CE2 1 
ATOM   760  C CZ  A TYR A 1 94  ? -16.458 5.759   2.915  0.43 76.44 ? 94  TYR A CZ  1 
ATOM   761  C CZ  B TYR A 1 94  ? -16.489 13.000  3.837  0.57 76.44 ? 94  TYR A CZ  1 
ATOM   762  O OH  A TYR A 1 94  ? -17.178 4.607   2.690  0.43 58.70 ? 94  TYR A OH  1 
ATOM   763  O OH  B TYR A 1 94  ? -17.199 14.177  3.854  0.57 58.70 ? 94  TYR A OH  1 
ATOM   764  N N   . CYS A 1 95  ? -12.438 7.068   5.322  1.00 24.45 ? 95  CYS A N   1 
ATOM   765  C CA  . CYS A 1 95  ? -11.752 5.799   5.089  1.00 25.33 ? 95  CYS A CA  1 
ATOM   766  C C   . CYS A 1 95  ? -12.093 5.236   3.715  1.00 28.12 ? 95  CYS A C   1 
ATOM   767  O O   . CYS A 1 95  ? -13.248 4.898   3.430  1.00 34.05 ? 95  CYS A O   1 
ATOM   768  C CB  . CYS A 1 95  ? -12.119 4.775   6.156  1.00 24.45 ? 95  CYS A CB  1 
ATOM   769  S SG  . CYS A 1 95  ? -11.251 3.184   5.919  1.00 27.93 ? 95  CYS A SG  1 
ATOM   770  N N   . ARG A 1 96  ? -11.065 5.074   2.887  1.00 21.42 ? 96  ARG A N   1 
ATOM   771  C CA  . ARG A 1 96  ? -11.235 4.652   1.505  1.00 27.11 ? 96  ARG A CA  1 
ATOM   772  C C   . ARG A 1 96  ? -10.598 3.303   1.230  1.00 23.64 ? 96  ARG A C   1 
ATOM   773  O O   . ARG A 1 96  ? -10.443 2.940   0.060  1.00 26.89 ? 96  ARG A O   1 
ATOM   774  C CB  . ARG A 1 96  ? -10.677 5.725   0.568  1.00 21.58 ? 96  ARG A CB  1 
ATOM   775  C CG  . ARG A 1 96  ? -11.481 7.013   0.649  1.00 21.42 ? 96  ARG A CG  1 
ATOM   776  C CD  . ARG A 1 96  ? -10.723 8.192   0.149  1.00 23.45 ? 96  ARG A CD  1 
ATOM   777  N NE  . ARG A 1 96  ? -9.840  8.665   1.205  1.00 21.77 ? 96  ARG A NE  1 
ATOM   778  C CZ  . ARG A 1 96  ? -8.816  9.477   1.002  1.00 27.47 ? 96  ARG A CZ  1 
ATOM   779  N NH1 . ARG A 1 96  ? -8.497  9.882   -0.217 1.00 21.88 ? 96  ARG A NH1 1 
ATOM   780  N NH2 . ARG A 1 96  ? -8.073  9.859   2.039  1.00 24.42 ? 96  ARG A NH2 1 
ATOM   781  N N   . SER A 1 97  ? -10.221 2.554   2.270  1.00 25.87 ? 97  SER A N   1 
ATOM   782  C CA  . SER A 1 97  ? -9.717  1.202   2.053  1.00 25.87 ? 97  SER A CA  1 
ATOM   783  C C   . SER A 1 97  ? -10.672 0.403   1.174  1.00 25.87 ? 97  SER A C   1 
ATOM   784  O O   . SER A 1 97  ? -10.244 -0.338  0.281  1.00 38.85 ? 97  SER A O   1 
ATOM   785  C CB  . SER A 1 97  ? -9.526  0.494   3.393  1.00 25.87 ? 97  SER A CB  1 
ATOM   786  O OG  . SER A 1 97  ? -8.614  1.187   4.218  1.00 31.18 ? 97  SER A OG  1 
ATOM   787  N N   . ARG A 1 98  ? -11.977 0.573   1.405  1.00 26.99 ? 98  ARG A N   1 
ATOM   788  C CA  . ARG A 1 98  ? -12.994 -0.227  0.735  1.00 33.68 ? 98  ARG A CA  1 
ATOM   789  C C   . ARG A 1 98  ? -13.004 -0.002  -0.775 1.00 26.01 ? 98  ARG A C   1 
ATOM   790  O O   . ARG A 1 98  ? -13.292 -0.930  -1.540 1.00 28.84 ? 98  ARG A O   1 
ATOM   791  C CB  . ARG A 1 98  ? -14.351 0.111   1.345  1.00 74.04 ? 98  ARG A CB  1 
ATOM   792  C CG  . ARG A 1 98  ? -14.890 -0.932  2.300  1.00 68.15 ? 98  ARG A CG  1 
ATOM   793  C CD  . ARG A 1 98  ? -15.312 -2.138  1.509  1.00 43.95 ? 98  ARG A CD  1 
ATOM   794  N NE  . ARG A 1 98  ? -16.601 -1.902  0.870  1.00 75.38 ? 98  ARG A NE  1 
ATOM   795  C CZ  . ARG A 1 98  ? -16.796 -1.926  -0.441 1.00 69.74 ? 98  ARG A CZ  1 
ATOM   796  N NH1 . ARG A 1 98  ? -15.804 -2.168  -1.283 1.00 68.54 ? 98  ARG A NH1 1 
ATOM   797  N NH2 . ARG A 1 98  ? -18.013 -1.687  -0.921 1.00 70.32 ? 98  ARG A NH2 1 
ATOM   798  N N   . GLU A 1 99  ? -12.685 1.214   -1.218 1.00 19.46 ? 99  GLU A N   1 
ATOM   799  C CA  . GLU A 1 99  ? -12.739 1.627   -2.619 1.00 30.05 ? 99  GLU A CA  1 
ATOM   800  C C   . GLU A 1 99  ? -11.380 1.592   -3.318 1.00 29.56 ? 99  GLU A C   1 
ATOM   801  O O   . GLU A 1 99  ? -11.293 1.975   -4.488 1.00 43.59 ? 99  GLU A O   1 
ATOM   802  C CB  . GLU A 1 99  ? -13.383 3.017   -2.770 1.00 30.18 ? 99  GLU A CB  1 
ATOM   803  C CG  . GLU A 1 99  ? -13.215 3.949   -1.603 1.00 32.51 ? 99  GLU A CG  1 
ATOM   804  N N   . LYS A 1 100 ? -10.314 1.177   -2.637 1.00 19.72 ? 100 LYS A N   1 
ATOM   805  C CA  . LYS A 1 100 ? -8.984  1.194   -3.222 1.00 26.34 ? 100 LYS A CA  1 
ATOM   806  C C   . LYS A 1 100 ? -8.511  -0.214  -3.540 1.00 26.87 ? 100 LYS A C   1 
ATOM   807  O O   . LYS A 1 100 ? -7.312  -0.444  -3.719 1.00 37.04 ? 100 LYS A O   1 
ATOM   808  C CB  . LYS A 1 100 ? -8.000  1.791   -2.218 1.00 38.68 ? 100 LYS A CB  1 
ATOM   809  C CG  . LYS A 1 100 ? -8.075  3.261   -1.894 1.00 29.65 ? 100 LYS A CG  1 
ATOM   810  C CD  . LYS A 1 100 ? -7.642  4.234   -2.918 1.00 21.22 ? 100 LYS A CD  1 
ATOM   811  C CE  . LYS A 1 100 ? -7.835  5.592   -2.248 1.00 12.78 ? 100 LYS A CE  1 
ATOM   812  N NZ  . LYS A 1 100 ? -6.786  6.595   -2.551 1.00 23.47 ? 100 LYS A NZ  1 
ATOM   813  N N   . GLY A 1 101 ? -9.435  -1.160  -3.648 1.00 37.78 ? 101 GLY A N   1 
ATOM   814  C CA  . GLY A 1 101 ? -9.100  -2.497  -4.066 1.00 34.66 ? 101 GLY A CA  1 
ATOM   815  C C   . GLY A 1 101 ? -8.542  -3.284  -2.904 1.00 31.89 ? 101 GLY A C   1 
ATOM   816  O O   . GLY A 1 101 ? -8.553  -2.830  -1.755 1.00 42.86 ? 101 GLY A O   1 
ATOM   817  N N   . PRO A 1 102 ? -8.058  -4.491  -3.178 1.00 37.89 ? 102 PRO A N   1 
ATOM   818  C CA  . PRO A 1 102 ? -7.543  -5.341  -2.097 1.00 67.49 ? 102 PRO A CA  1 
ATOM   819  C C   . PRO A 1 102 ? -6.332  -4.711  -1.422 1.00 23.87 ? 102 PRO A C   1 
ATOM   820  O O   . PRO A 1 102 ? -5.593  -3.931  -2.023 1.00 26.76 ? 102 PRO A O   1 
ATOM   821  C CB  . PRO A 1 102 ? -7.178  -6.652  -2.809 1.00 38.75 ? 102 PRO A CB  1 
ATOM   822  C CG  . PRO A 1 102 ? -7.160  -6.320  -4.281 1.00 39.81 ? 102 PRO A CG  1 
ATOM   823  C CD  . PRO A 1 102 ? -8.134  -5.200  -4.465 1.00 48.67 ? 102 PRO A CD  1 
ATOM   824  N N   A TYR A 1 103 ? -6.134  -5.059  -0.153 0.67 26.92 ? 103 TYR A N   1 
ATOM   825  N N   B TYR A 1 103 ? -6.147  -5.060  -0.150 0.33 26.92 ? 103 TYR A N   1 
ATOM   826  C CA  A TYR A 1 103 ? -5.012  -4.517  0.601  0.67 28.12 ? 103 TYR A CA  1 
ATOM   827  C CA  B TYR A 1 103 ? -5.007  -4.566  0.605  0.33 28.12 ? 103 TYR A CA  1 
ATOM   828  C C   A TYR A 1 103 ? -3.692  -5.059  0.062  0.67 22.14 ? 103 TYR A C   1 
ATOM   829  C C   B TYR A 1 103 ? -3.707  -5.024  -0.047 0.33 22.14 ? 103 TYR A C   1 
ATOM   830  O O   A TYR A 1 103 ? -3.598  -6.207  -0.378 0.67 27.72 ? 103 TYR A O   1 
ATOM   831  O O   B TYR A 1 103 ? -3.646  -6.076  -0.688 0.33 27.72 ? 103 TYR A O   1 
ATOM   832  C CB  A TYR A 1 103 ? -5.146  -4.858  2.089  0.67 21.91 ? 103 TYR A CB  1 
ATOM   833  C CB  B TYR A 1 103 ? -5.078  -5.052  2.060  0.33 21.91 ? 103 TYR A CB  1 
ATOM   834  C CG  A TYR A 1 103 ? -6.335  -4.233  2.767  0.67 47.65 ? 103 TYR A CG  1 
ATOM   835  C CG  B TYR A 1 103 ? -5.019  -6.562  2.236  0.33 47.65 ? 103 TYR A CG  1 
ATOM   836  C CD1 A TYR A 1 103 ? -6.371  -2.873  3.028  0.67 33.87 ? 103 TYR A CD1 1 
ATOM   837  C CD1 B TYR A 1 103 ? -3.804  -7.240  2.218  0.33 33.87 ? 103 TYR A CD1 1 
ATOM   838  C CD2 A TYR A 1 103 ? -7.418  -5.010  3.160  0.67 22.36 ? 103 TYR A CD2 1 
ATOM   839  C CD2 B TYR A 1 103 ? -6.176  -7.302  2.443  0.33 22.36 ? 103 TYR A CD2 1 
ATOM   840  C CE1 A TYR A 1 103 ? -7.462  -2.301  3.648  0.67 41.61 ? 103 TYR A CE1 1 
ATOM   841  C CE1 B TYR A 1 103 ? -3.746  -8.610  2.378  0.33 41.61 ? 103 TYR A CE1 1 
ATOM   842  C CE2 A TYR A 1 103 ? -8.517  -4.445  3.784  0.67 30.10 ? 103 TYR A CE2 1 
ATOM   843  C CE2 B TYR A 1 103 ? -6.126  -8.678  2.609  0.33 30.10 ? 103 TYR A CE2 1 
ATOM   844  C CZ  A TYR A 1 103 ? -8.534  -3.089  4.024  0.67 66.35 ? 103 TYR A CZ  1 
ATOM   845  C CZ  B TYR A 1 103 ? -4.906  -9.325  2.576  0.33 66.35 ? 103 TYR A CZ  1 
ATOM   846  O OH  A TYR A 1 103 ? -9.624  -2.525  4.645  0.67 70.15 ? 103 TYR A OH  1 
ATOM   847  O OH  B TYR A 1 103 ? -4.845  -10.690 2.740  0.33 70.15 ? 103 TYR A OH  1 
ATOM   848  N N   . ALA A 1 104 ? -2.656  -4.221  0.116  1.00 20.70 ? 104 ALA A N   1 
ATOM   849  C CA  . ALA A 1 104 ? -1.380  -4.607  -0.469 1.00 20.70 ? 104 ALA A CA  1 
ATOM   850  C C   . ALA A 1 104 ? -0.618  -5.583  0.411  1.00 22.07 ? 104 ALA A C   1 
ATOM   851  O O   . ALA A 1 104 ? 0.050   -6.485  -0.110 1.00 33.62 ? 104 ALA A O   1 
ATOM   852  C CB  . ALA A 1 104 ? -0.519  -3.372  -0.740 1.00 21.49 ? 104 ALA A CB  1 
ATOM   853  N N   . ALA A 1 105 ? -0.730  -5.445  1.730  1.00 22.09 ? 105 ALA A N   1 
ATOM   854  C CA  . ALA A 1 105 ? -0.014  -6.303  2.659  1.00 24.94 ? 105 ALA A CA  1 
ATOM   855  C C   . ALA A 1 105 ? -0.870  -6.465  3.900  1.00 25.39 ? 105 ALA A C   1 
ATOM   856  O O   . ALA A 1 105 ? -1.718  -5.615  4.198  1.00 24.57 ? 105 ALA A O   1 
ATOM   857  C CB  . ALA A 1 105 ? 1.351   -5.717  3.025  1.00 22.51 ? 105 ALA A CB  1 
ATOM   858  N N   . LYS A 1 106 ? -0.633  -7.549  4.641  1.00 25.08 ? 106 LYS A N   1 
ATOM   859  C CA  . LYS A 1 106 ? -1.373  -7.757  5.879  1.00 25.88 ? 106 LYS A CA  1 
ATOM   860  C C   . LYS A 1 106 ? -0.447  -8.472  6.846  1.00 24.56 ? 106 LYS A C   1 
ATOM   861  O O   . LYS A 1 106 ? 0.316   -9.352  6.442  1.00 36.73 ? 106 LYS A O   1 
ATOM   862  C CB  . LYS A 1 106 ? -2.667  -8.566  5.651  1.00 24.56 ? 106 LYS A CB  1 
ATOM   863  C CG  . LYS A 1 106 ? -3.559  -8.725  6.888  1.00 24.56 ? 106 LYS A CG  1 
ATOM   864  C CD  . LYS A 1 106 ? -4.795  -9.586  6.639  1.00 33.60 ? 106 LYS A CD  1 
ATOM   865  C CE  . LYS A 1 106 ? -5.515  -9.893  7.947  1.00 42.59 ? 106 LYS A CE  1 
ATOM   866  N NZ  . LYS A 1 106 ? -5.671  -11.328 8.314  1.00 30.65 ? 106 LYS A NZ  1 
ATOM   867  N N   . THR A 1 107 ? -0.530  -8.112  8.117  1.00 26.29 ? 107 THR A N   1 
ATOM   868  C CA  . THR A 1 107 ? 0.270   -8.741  9.150  1.00 26.29 ? 107 THR A CA  1 
ATOM   869  C C   . THR A 1 107 ? -0.634  -9.632  9.989  1.00 32.61 ? 107 THR A C   1 
ATOM   870  O O   . THR A 1 107 ? -1.842  -9.722  9.751  1.00 26.29 ? 107 THR A O   1 
ATOM   871  C CB  . THR A 1 107 ? 0.971   -7.677  9.995  1.00 29.51 ? 107 THR A CB  1 
ATOM   872  O OG1 . THR A 1 107 ? 0.007   -6.758  10.512 1.00 27.57 ? 107 THR A OG1 1 
ATOM   873  C CG2 . THR A 1 107 ? 1.944   -6.870  9.135  1.00 26.29 ? 107 THR A CG2 1 
ATOM   874  N N   . ASP A 1 108 ? -0.053  -10.281 10.998 1.00 36.97 ? 108 ASP A N   1 
ATOM   875  C CA  . ASP A 1 108 ? -0.800  -11.257 11.778 1.00 29.85 ? 108 ASP A CA  1 
ATOM   876  C C   . ASP A 1 108 ? -1.019  -10.842 13.219 1.00 29.85 ? 108 ASP A C   1 
ATOM   877  O O   . ASP A 1 108 ? -1.732  -11.548 13.949 1.00 31.29 ? 108 ASP A O   1 
ATOM   878  C CB  . ASP A 1 108 ? -0.129  -12.637 11.724 1.00 29.85 ? 108 ASP A CB  1 
ATOM   879  C CG  . ASP A 1 108 ? -0.097  -13.212 10.312 1.00 29.85 ? 108 ASP A CG  1 
ATOM   880  O OD1 . ASP A 1 108 ? 0.903   -12.991 9.595  1.00 50.70 ? 108 ASP A OD1 1 
ATOM   881  O OD2 . ASP A 1 108 ? -1.069  -13.905 9.922  1.00 34.05 ? 108 ASP A OD2 1 
ATOM   882  N N   . GLY A 1 109 ? -0.439  -9.730  13.651 1.00 28.08 ? 109 GLY A N   1 
ATOM   883  C CA  . GLY A 1 109 ? -0.721  -9.264  14.993 1.00 30.62 ? 109 GLY A CA  1 
ATOM   884  C C   . GLY A 1 109 ? 0.241   -8.174  15.402 1.00 28.08 ? 109 GLY A C   1 
ATOM   885  O O   . GLY A 1 109 ? 0.983   -7.640  14.585 1.00 28.08 ? 109 GLY A O   1 
ATOM   886  N N   . VAL A 1 110 ? 0.187   -7.831  16.679 1.00 29.34 ? 110 VAL A N   1 
ATOM   887  C CA  . VAL A 1 110 ? 1.030   -6.755  17.181 1.00 27.23 ? 110 VAL A CA  1 
ATOM   888  C C   . VAL A 1 110 ? 1.490   -7.068  18.600 1.00 27.23 ? 110 VAL A C   1 
ATOM   889  O O   . VAL A 1 110 ? 0.658   -7.276  19.489 1.00 28.59 ? 110 VAL A O   1 
ATOM   890  C CB  . VAL A 1 110 ? 0.305   -5.396  17.049 1.00 27.23 ? 110 VAL A CB  1 
ATOM   891  C CG1 . VAL A 1 110 ? -1.075  -5.434  17.698 1.00 32.93 ? 110 VAL A CG1 1 
ATOM   892  C CG2 . VAL A 1 110 ? 1.172   -4.253  17.659 1.00 27.23 ? 110 VAL A CG2 1 
ATOM   893  N N   . ARG A 1 111 ? 2.808   -7.133  18.832 1.00 22.20 ? 111 ARG A N   1 
ATOM   894  C CA  . ARG A 1 111 ? 3.313   -7.366  20.184 1.00 22.20 ? 111 ARG A CA  1 
ATOM   895  C C   . ARG A 1 111 ? 3.911   -6.090  20.749 1.00 27.67 ? 111 ARG A C   1 
ATOM   896  O O   . ARG A 1 111 ? 4.361   -5.209  20.008 1.00 24.04 ? 111 ARG A O   1 
ATOM   897  C CB  . ARG A 1 111 ? 4.369   -8.474  20.259 1.00 33.51 ? 111 ARG A CB  1 
ATOM   898  C CG  . ARG A 1 111 ? 3.919   -9.823  19.788 1.00 33.51 ? 111 ARG A CG  1 
ATOM   899  C CD  . ARG A 1 111 ? 2.728   -10.396 20.565 1.00 33.51 ? 111 ARG A CD  1 
ATOM   900  N NE  . ARG A 1 111 ? 1.957   -11.308 19.717 1.00 33.51 ? 111 ARG A NE  1 
ATOM   901  C CZ  . ARG A 1 111 ? 2.418   -12.421 19.146 1.00 33.51 ? 111 ARG A CZ  1 
ATOM   902  N NH1 . ARG A 1 111 ? 3.627   -12.900 19.419 1.00 33.51 ? 111 ARG A NH1 1 
ATOM   903  N NH2 . ARG A 1 111 ? 1.642   -13.075 18.284 1.00 33.51 ? 111 ARG A NH2 1 
ATOM   904  N N   . GLN A 1 112 ? 3.905   -5.992  22.075 1.00 18.84 ? 112 GLN A N   1 
ATOM   905  C CA  . GLN A 1 112 ? 4.441   -4.835  22.777 1.00 25.80 ? 112 GLN A CA  1 
ATOM   906  C C   . GLN A 1 112 ? 5.763   -5.189  23.440 1.00 20.08 ? 112 GLN A C   1 
ATOM   907  O O   . GLN A 1 112 ? 5.902   -6.255  24.048 1.00 24.78 ? 112 GLN A O   1 
ATOM   908  C CB  . GLN A 1 112 ? 3.469   -4.295  23.838 1.00 18.84 ? 112 GLN A CB  1 
ATOM   909  C CG  . GLN A 1 112 ? 3.959   -2.982  24.480 1.00 40.57 ? 112 GLN A CG  1 
ATOM   910  C CD  . GLN A 1 112 ? 2.965   -2.360  25.459 1.00 29.44 ? 112 GLN A CD  1 
ATOM   911  O OE1 . GLN A 1 112 ? 1.886   -2.895  25.695 1.00 35.07 ? 112 GLN A OE1 1 
ATOM   912  N NE2 . GLN A 1 112 ? 3.347   -1.224  26.047 1.00 27.61 ? 112 GLN A NE2 1 
ATOM   913  N N   . VAL A 1 113 ? 6.726   -4.278  23.318 1.00 19.05 ? 113 VAL A N   1 
ATOM   914  C CA  . VAL A 1 113 ? 7.948   -4.362  24.095 1.00 22.88 ? 113 VAL A CA  1 
ATOM   915  C C   . VAL A 1 113 ? 7.630   -4.043  25.545 1.00 19.05 ? 113 VAL A C   1 
ATOM   916  O O   . VAL A 1 113 ? 6.857   -3.113  25.832 1.00 19.05 ? 113 VAL A O   1 
ATOM   917  C CB  . VAL A 1 113 ? 8.975   -3.373  23.530 1.00 29.87 ? 113 VAL A CB  1 
ATOM   918  C CG1 . VAL A 1 113 ? 10.275  -3.504  24.271 1.00 19.46 ? 113 VAL A CG1 1 
ATOM   919  C CG2 . VAL A 1 113 ? 9.141   -3.598  22.039 1.00 19.05 ? 113 VAL A CG2 1 
ATOM   920  N N   A GLN A 1 114 ? 8.200   -4.824  26.468 0.46 20.81 ? 114 GLN A N   1 
ATOM   921  N N   B GLN A 1 114 ? 8.200   -4.826  26.471 0.54 20.81 ? 114 GLN A N   1 
ATOM   922  C CA  A GLN A 1 114 ? 8.078   -4.536  27.891 0.46 24.61 ? 114 GLN A CA  1 
ATOM   923  C CA  B GLN A 1 114 ? 8.056   -4.537  27.892 0.54 24.61 ? 114 GLN A CA  1 
ATOM   924  C C   A GLN A 1 114 ? 8.534   -3.101  28.158 0.46 18.39 ? 114 GLN A C   1 
ATOM   925  C C   B GLN A 1 114 ? 8.530   -3.109  28.166 0.54 18.39 ? 114 GLN A C   1 
ATOM   926  O O   A GLN A 1 114 ? 9.682   -2.754  27.833 0.46 20.42 ? 114 GLN A O   1 
ATOM   927  O O   B GLN A 1 114 ? 9.684   -2.774  27.850 0.54 20.42 ? 114 GLN A O   1 
ATOM   928  C CB  A GLN A 1 114 ? 8.909   -5.516  28.718 0.46 22.33 ? 114 GLN A CB  1 
ATOM   929  C CB  B GLN A 1 114 ? 8.842   -5.532  28.747 0.54 22.33 ? 114 GLN A CB  1 
ATOM   930  C CG  A GLN A 1 114 ? 8.211   -6.826  29.038 0.46 37.93 ? 114 GLN A CG  1 
ATOM   931  C CG  B GLN A 1 114 ? 8.799   -5.232  30.243 0.54 37.93 ? 114 GLN A CG  1 
ATOM   932  C CD  A GLN A 1 114 ? 7.450   -6.775  30.344 0.46 70.40 ? 114 GLN A CD  1 
ATOM   933  C CD  B GLN A 1 114 ? 9.519   -6.276  31.075 0.54 70.40 ? 114 GLN A CD  1 
ATOM   934  O OE1 A GLN A 1 114 ? 7.854   -6.090  31.284 0.46 66.40 ? 114 GLN A OE1 1 
ATOM   935  O OE1 B GLN A 1 114 ? 9.966   -7.298  30.559 0.54 66.40 ? 114 GLN A OE1 1 
ATOM   936  N NE2 A GLN A 1 114 ? 6.347   -7.508  30.415 0.46 66.56 ? 114 GLN A NE2 1 
ATOM   937  N NE2 B GLN A 1 114 ? 9.634   -6.021  32.373 0.54 66.56 ? 114 GLN A NE2 1 
ATOM   938  N N   . PRO A 1 115 ? 7.679   -2.242  28.708 1.00 19.68 ? 115 PRO A N   1 
ATOM   939  C CA  . PRO A 1 115 ? 8.044   -0.829  28.822 1.00 21.08 ? 115 PRO A CA  1 
ATOM   940  C C   . PRO A 1 115 ? 9.158   -0.612  29.827 1.00 21.15 ? 115 PRO A C   1 
ATOM   941  O O   . PRO A 1 115 ? 9.385   -1.415  30.737 1.00 24.04 ? 115 PRO A O   1 
ATOM   942  C CB  . PRO A 1 115 ? 6.753   -0.162  29.300 1.00 17.91 ? 115 PRO A CB  1 
ATOM   943  C CG  . PRO A 1 115 ? 5.962   -1.259  29.934 1.00 24.73 ? 115 PRO A CG  1 
ATOM   944  C CD  . PRO A 1 115 ? 6.328   -2.526  29.212 1.00 19.35 ? 115 PRO A CD  1 
ATOM   945  N N   . TYR A 1 116 ? 9.838   0.528   29.662 1.00 20.90 ? 116 TYR A N   1 
ATOM   946  C CA  . TYR A 1 116 ? 10.847  0.971   30.616 1.00 23.09 ? 116 TYR A CA  1 
ATOM   947  C C   . TYR A 1 116 ? 11.964  -0.064  30.733 1.00 17.96 ? 116 TYR A C   1 
ATOM   948  O O   . TYR A 1 116 ? 12.480  -0.331  31.820 1.00 24.93 ? 116 TYR A O   1 
ATOM   949  C CB  . TYR A 1 116 ? 10.223  1.305   31.971 1.00 18.00 ? 116 TYR A CB  1 
ATOM   950  C CG  . TYR A 1 116 ? 9.061   2.243   31.852 1.00 29.64 ? 116 TYR A CG  1 
ATOM   951  C CD1 . TYR A 1 116 ? 9.252   3.522   31.355 1.00 29.40 ? 116 TYR A CD1 1 
ATOM   952  C CD2 . TYR A 1 116 ? 7.772   1.862   32.225 1.00 18.81 ? 116 TYR A CD2 1 
ATOM   953  C CE1 . TYR A 1 116 ? 8.200   4.404   31.235 1.00 32.68 ? 116 TYR A CE1 1 
ATOM   954  C CE2 . TYR A 1 116 ? 6.699   2.746   32.109 1.00 21.70 ? 116 TYR A CE2 1 
ATOM   955  C CZ  . TYR A 1 116 ? 6.928   4.018   31.612 1.00 39.45 ? 116 TYR A CZ  1 
ATOM   956  O OH  . TYR A 1 116 ? 5.896   4.922   31.482 1.00 40.04 ? 116 TYR A OH  1 
ATOM   957  N N   . ASN A 1 117 ? 12.356  -0.641  29.603 1.00 16.11 ? 117 ASN A N   1 
ATOM   958  C CA  . ASN A 1 117 ? 13.310  -1.743  29.625 1.00 16.84 ? 117 ASN A CA  1 
ATOM   959  C C   . ASN A 1 117 ? 14.160  -1.603  28.360 1.00 16.11 ? 117 ASN A C   1 
ATOM   960  O O   . ASN A 1 117 ? 13.703  -1.934  27.260 1.00 18.13 ? 117 ASN A O   1 
ATOM   961  C CB  . ASN A 1 117 ? 12.554  -3.067  29.684 1.00 16.11 ? 117 ASN A CB  1 
ATOM   962  C CG  . ASN A 1 117 ? 13.459  -4.273  29.843 1.00 18.00 ? 117 ASN A CG  1 
ATOM   963  O OD1 . ASN A 1 117 ? 14.579  -4.308  29.325 1.00 20.02 ? 117 ASN A OD1 1 
ATOM   964  N ND2 . ASN A 1 117 ? 12.948  -5.301  30.516 1.00 37.75 ? 117 ASN A ND2 1 
ATOM   965  N N   . GLU A 1 118 ? 15.385  -1.085  28.527 1.00 13.02 ? 118 GLU A N   1 
ATOM   966  C CA  . GLU A 1 118 ? 16.242  -0.791  27.375 1.00 13.63 ? 118 GLU A CA  1 
ATOM   967  C C   . GLU A 1 118 ? 16.601  -2.054  26.590 1.00 14.32 ? 118 GLU A C   1 
ATOM   968  O O   . GLU A 1 118 ? 16.512  -2.076  25.357 1.00 12.81 ? 118 GLU A O   1 
ATOM   969  C CB  . GLU A 1 118 ? 17.519  -0.081  27.830 1.00 40.81 ? 118 GLU A CB  1 
ATOM   970  C CG  . GLU A 1 118 ? 18.469  0.187   26.677 1.00 40.81 ? 118 GLU A CG  1 
ATOM   971  C CD  . GLU A 1 118 ? 19.630  1.087   27.050 1.00 40.81 ? 118 GLU A CD  1 
ATOM   972  O OE1 . GLU A 1 118 ? 19.386  2.203   27.546 1.00 40.81 ? 118 GLU A OE1 1 
ATOM   973  O OE2 . GLU A 1 118 ? 20.792  0.701   26.804 1.00 40.81 ? 118 GLU A OE2 1 
ATOM   974  N N   . GLY A 1 119 ? 17.041  -3.105  27.285 1.00 14.17 ? 119 GLY A N   1 
ATOM   975  C CA  . GLY A 1 119 ? 17.439  -4.321  26.590 1.00 13.67 ? 119 GLY A CA  1 
ATOM   976  C C   . GLY A 1 119 ? 16.292  -4.968  25.838 1.00 13.67 ? 119 GLY A C   1 
ATOM   977  O O   . GLY A 1 119 ? 16.475  -5.488  24.734 1.00 16.91 ? 119 GLY A O   1 
ATOM   978  N N   . ALA A 1 120 ? 15.083  -4.904  26.409 1.00 14.71 ? 120 ALA A N   1 
ATOM   979  C CA  . ALA A 1 120 ? 13.915  -5.468  25.739 1.00 14.71 ? 120 ALA A CA  1 
ATOM   980  C C   . ALA A 1 120 ? 13.655  -4.736  24.438 1.00 14.71 ? 120 ALA A C   1 
ATOM   981  O O   . ALA A 1 120 ? 13.281  -5.351  23.433 1.00 16.61 ? 120 ALA A O   1 
ATOM   982  C CB  . ALA A 1 120 ? 12.684  -5.393  26.637 1.00 17.77 ? 120 ALA A CB  1 
ATOM   983  N N   . LEU A 1 121 ? 13.834  -3.415  24.445 1.00 15.08 ? 121 LEU A N   1 
ATOM   984  C CA  . LEU A 1 121 ? 13.642  -2.644  23.231 1.00 13.00 ? 121 LEU A CA  1 
ATOM   985  C C   . LEU A 1 121 ? 14.735  -2.964  22.214 1.00 13.06 ? 121 LEU A C   1 
ATOM   986  O O   . LEU A 1 121 ? 14.455  -3.104  21.014 1.00 13.00 ? 121 LEU A O   1 
ATOM   987  C CB  . LEU A 1 121 ? 13.633  -1.155  23.556 1.00 13.00 ? 121 LEU A CB  1 
ATOM   988  C CG  . LEU A 1 121 ? 13.531  -0.310  22.291 1.00 15.73 ? 121 LEU A CG  1 
ATOM   989  C CD1 . LEU A 1 121 ? 12.243  -0.666  21.577 1.00 13.00 ? 121 LEU A CD1 1 
ATOM   990  C CD2 . LEU A 1 121 ? 13.621  1.156   22.605 1.00 13.00 ? 121 LEU A CD2 1 
ATOM   991  N N   . LEU A 1 122 ? 15.989  -3.076  22.669 1.00 15.19 ? 122 LEU A N   1 
ATOM   992  C CA  . LEU A 1 122 ? 17.062  -3.453  21.753 1.00 18.94 ? 122 LEU A CA  1 
ATOM   993  C C   . LEU A 1 122 ? 16.803  -4.819  21.128 1.00 15.19 ? 122 LEU A C   1 
ATOM   994  O O   . LEU A 1 122 ? 17.009  -4.999  19.922 1.00 15.19 ? 122 LEU A O   1 
ATOM   995  C CB  . LEU A 1 122 ? 18.401  -3.445  22.485 1.00 15.19 ? 122 LEU A CB  1 
ATOM   996  C CG  . LEU A 1 122 ? 18.744  -2.068  23.043 1.00 15.19 ? 122 LEU A CG  1 
ATOM   997  C CD1 . LEU A 1 122 ? 20.033  -2.176  23.812 1.00 15.19 ? 122 LEU A CD1 1 
ATOM   998  C CD2 . LEU A 1 122 ? 18.863  -1.058  21.932 1.00 18.43 ? 122 LEU A CD2 1 
ATOM   999  N N   . TYR A 1 123 ? 16.326  -5.790  21.924 1.00 14.86 ? 123 TYR A N   1 
ATOM   1000 C CA  . TYR A 1 123 ? 16.016  -7.111  21.373 1.00 14.86 ? 123 TYR A CA  1 
ATOM   1001 C C   . TYR A 1 123 ? 14.973  -7.008  20.275 1.00 14.86 ? 123 TYR A C   1 
ATOM   1002 O O   . TYR A 1 123 ? 15.067  -7.685  19.242 1.00 14.86 ? 123 TYR A O   1 
ATOM   1003 C CB  . TYR A 1 123 ? 15.526  -8.061  22.466 1.00 15.14 ? 123 TYR A CB  1 
ATOM   1004 C CG  . TYR A 1 123 ? 15.193  -9.456  21.967 1.00 18.63 ? 123 TYR A CG  1 
ATOM   1005 C CD1 . TYR A 1 123 ? 16.189  -10.358 21.629 1.00 26.42 ? 123 TYR A CD1 1 
ATOM   1006 C CD2 . TYR A 1 123 ? 13.868  -9.870  21.838 1.00 29.23 ? 123 TYR A CD2 1 
ATOM   1007 C CE1 . TYR A 1 123 ? 15.877  -11.635 21.175 1.00 42.83 ? 123 TYR A CE1 1 
ATOM   1008 C CE2 . TYR A 1 123 ? 13.549  -11.143 21.383 1.00 56.77 ? 123 TYR A CE2 1 
ATOM   1009 C CZ  . TYR A 1 123 ? 14.558  -12.017 21.049 1.00 35.27 ? 123 TYR A CZ  1 
ATOM   1010 O OH  . TYR A 1 123 ? 14.259  -13.283 20.596 1.00 74.03 ? 123 TYR A OH  1 
ATOM   1011 N N   . SER A 1 124 ? 13.973  -6.156  20.485 1.00 17.51 ? 124 SER A N   1 
ATOM   1012 C CA  . SER A 1 124 ? 12.959  -5.934  19.469 1.00 17.51 ? 124 SER A CA  1 
ATOM   1013 C C   . SER A 1 124 ? 13.575  -5.387  18.188 1.00 17.51 ? 124 SER A C   1 
ATOM   1014 O O   . SER A 1 124 ? 13.248  -5.846  17.089 1.00 17.85 ? 124 SER A O   1 
ATOM   1015 C CB  . SER A 1 124 ? 11.900  -4.984  20.020 1.00 17.77 ? 124 SER A CB  1 
ATOM   1016 O OG  . SER A 1 124 ? 10.650  -5.211  19.402 1.00 23.82 ? 124 SER A OG  1 
ATOM   1017 N N   . ILE A 1 125 ? 14.492  -4.423  18.309 1.00 16.15 ? 125 ILE A N   1 
ATOM   1018 C CA  . ILE A 1 125 ? 14.987  -3.742  17.119 1.00 16.15 ? 125 ILE A CA  1 
ATOM   1019 C C   . ILE A 1 125 ? 15.856  -4.684  16.300 1.00 16.15 ? 125 ILE A C   1 
ATOM   1020 O O   . ILE A 1 125 ? 15.822  -4.672  15.062 1.00 16.73 ? 125 ILE A O   1 
ATOM   1021 C CB  . ILE A 1 125 ? 15.784  -2.488  17.519 1.00 16.15 ? 125 ILE A CB  1 
ATOM   1022 C CG1 . ILE A 1 125 ? 14.919  -1.504  18.290 1.00 16.15 ? 125 ILE A CG1 1 
ATOM   1023 C CG2 . ILE A 1 125 ? 16.311  -1.790  16.274 1.00 16.15 ? 125 ILE A CG2 1 
ATOM   1024 C CD1 . ILE A 1 125 ? 15.731  -0.408  18.983 1.00 16.15 ? 125 ILE A CD1 1 
ATOM   1025 N N   . ALA A 1 126 ? 16.601  -5.556  16.977 1.00 15.69 ? 126 ALA A N   1 
ATOM   1026 C CA  . ALA A 1 126 ? 17.409  -6.544  16.275 1.00 15.69 ? 126 ALA A CA  1 
ATOM   1027 C C   . ALA A 1 126 ? 16.575  -7.481  15.414 1.00 16.87 ? 126 ALA A C   1 
ATOM   1028 O O   . ALA A 1 126 ? 17.114  -8.109  14.501 1.00 15.69 ? 126 ALA A O   1 
ATOM   1029 C CB  . ALA A 1 126 ? 18.241  -7.336  17.290 1.00 15.69 ? 126 ALA A CB  1 
ATOM   1030 N N   . ASN A 1 127 ? 15.280  -7.581  15.676 1.00 18.35 ? 127 ASN A N   1 
ATOM   1031 C CA  . ASN A 1 127 ? 14.402  -8.410  14.869 1.00 18.35 ? 127 ASN A CA  1 
ATOM   1032 C C   . ASN A 1 127 ? 13.631  -7.622  13.824 1.00 18.59 ? 127 ASN A C   1 
ATOM   1033 O O   . ASN A 1 127 ? 13.399  -8.138  12.723 1.00 18.35 ? 127 ASN A O   1 
ATOM   1034 C CB  . ASN A 1 127 ? 13.423  -9.158  15.765 1.00 21.14 ? 127 ASN A CB  1 
ATOM   1035 C CG  . ASN A 1 127 ? 14.092  -10.288 16.499 1.00 41.98 ? 127 ASN A CG  1 
ATOM   1036 O OD1 . ASN A 1 127 ? 14.255  -10.247 17.727 1.00 33.39 ? 127 ASN A OD1 1 
ATOM   1037 N ND2 . ASN A 1 127 ? 14.519  -11.302 15.745 1.00 32.30 ? 127 ASN A ND2 1 
ATOM   1038 N N   . GLN A 1 128 ? 13.249  -6.388  14.120 1.00 17.69 ? 128 GLN A N   1 
ATOM   1039 C CA  . GLN A 1 128 ? 12.490  -5.596  13.168 1.00 17.69 ? 128 GLN A CA  1 
ATOM   1040 C C   . GLN A 1 128 ? 12.487  -4.159  13.634 1.00 17.69 ? 128 GLN A C   1 
ATOM   1041 O O   . GLN A 1 128 ? 12.798  -3.881  14.799 1.00 17.69 ? 128 GLN A O   1 
ATOM   1042 C CB  . GLN A 1 128 ? 11.043  -6.094  13.034 1.00 17.69 ? 128 GLN A CB  1 
ATOM   1043 C CG  . GLN A 1 128 ? 10.198  -5.928  14.245 1.00 18.42 ? 128 GLN A CG  1 
ATOM   1044 C CD  . GLN A 1 128 ? 8.957   -6.745  14.118 1.00 17.69 ? 128 GLN A CD  1 
ATOM   1045 O OE1 . GLN A 1 128 ? 8.128   -6.528  13.237 1.00 20.99 ? 128 GLN A OE1 1 
ATOM   1046 N NE2 . GLN A 1 128 ? 8.885   -7.788  14.923 1.00 17.69 ? 128 GLN A NE2 1 
ATOM   1047 N N   . PRO A 1 129 ? 12.182  -3.231  12.730 1.00 17.11 ? 129 PRO A N   1 
ATOM   1048 C CA  . PRO A 1 129 ? 11.939  -1.851  13.146 1.00 14.43 ? 129 PRO A CA  1 
ATOM   1049 C C   . PRO A 1 129 ? 10.754  -1.843  14.100 1.00 14.43 ? 129 PRO A C   1 
ATOM   1050 O O   . PRO A 1 129 ? 9.806   -2.617  13.943 1.00 14.43 ? 129 PRO A O   1 
ATOM   1051 C CB  . PRO A 1 129 ? 11.615  -1.143  11.833 1.00 14.43 ? 129 PRO A CB  1 
ATOM   1052 C CG  . PRO A 1 129 ? 12.326  -1.961  10.813 1.00 14.43 ? 129 PRO A CG  1 
ATOM   1053 C CD  . PRO A 1 129 ? 12.207  -3.369  11.268 1.00 14.43 ? 129 PRO A CD  1 
ATOM   1054 N N   . VAL A 1 130 ? 10.800  -0.950  15.092 1.00 16.03 ? 130 VAL A N   1 
ATOM   1055 C CA  . VAL A 1 130 ? 9.832   -0.949  16.188 1.00 16.03 ? 130 VAL A CA  1 
ATOM   1056 C C   . VAL A 1 130 ? 9.211   0.435   16.259 1.00 16.03 ? 130 VAL A C   1 
ATOM   1057 O O   . VAL A 1 130 ? 9.904   1.441   16.082 1.00 16.03 ? 130 VAL A O   1 
ATOM   1058 C CB  . VAL A 1 130 ? 10.512  -1.332  17.522 1.00 17.98 ? 130 VAL A CB  1 
ATOM   1059 C CG1 . VAL A 1 130 ? 9.539   -1.239  18.704 1.00 16.03 ? 130 VAL A CG1 1 
ATOM   1060 C CG2 . VAL A 1 130 ? 11.089  -2.739  17.413 1.00 16.03 ? 130 VAL A CG2 1 
ATOM   1061 N N   . SER A 1 131 ? 7.905   0.497   16.518 1.00 15.39 ? 131 SER A N   1 
ATOM   1062 C CA  . SER A 1 131 ? 7.273   1.791   16.723 1.00 15.39 ? 131 SER A CA  1 
ATOM   1063 C C   . SER A 1 131 ? 7.522   2.252   18.148 1.00 15.39 ? 131 SER A C   1 
ATOM   1064 O O   . SER A 1 131 ? 7.213   1.527   19.097 1.00 15.39 ? 131 SER A O   1 
ATOM   1065 C CB  . SER A 1 131 ? 5.775   1.706   16.437 1.00 15.39 ? 131 SER A CB  1 
ATOM   1066 O OG  . SER A 1 131 ? 5.098   2.858   16.903 1.00 21.79 ? 131 SER A OG  1 
ATOM   1067 N N   . VAL A 1 132 ? 8.060   3.469   18.308 1.00 15.69 ? 132 VAL A N   1 
ATOM   1068 C CA  . VAL A 1 132 ? 8.367   3.995   19.633 1.00 15.69 ? 132 VAL A CA  1 
ATOM   1069 C C   . VAL A 1 132 ? 7.828   5.414   19.722 1.00 15.69 ? 132 VAL A C   1 
ATOM   1070 O O   . VAL A 1 132 ? 7.445   6.026   18.726 1.00 15.69 ? 132 VAL A O   1 
ATOM   1071 C CB  . VAL A 1 132 ? 9.879   3.949   19.995 1.00 15.69 ? 132 VAL A CB  1 
ATOM   1072 C CG1 . VAL A 1 132 ? 10.401  2.501   19.986 1.00 15.69 ? 132 VAL A CG1 1 
ATOM   1073 C CG2 . VAL A 1 132 ? 10.719  4.845   19.087 1.00 15.69 ? 132 VAL A CG2 1 
ATOM   1074 N N   . VAL A 1 133 ? 7.744   5.911   20.945 1.00 18.66 ? 133 VAL A N   1 
ATOM   1075 C CA  . VAL A 1 133 ? 7.280   7.262   21.215 1.00 18.66 ? 133 VAL A CA  1 
ATOM   1076 C C   . VAL A 1 133 ? 8.356   7.995   21.996 1.00 18.66 ? 133 VAL A C   1 
ATOM   1077 O O   . VAL A 1 133 ? 9.278   7.393   22.551 1.00 18.66 ? 133 VAL A O   1 
ATOM   1078 C CB  . VAL A 1 133 ? 5.920   7.280   21.948 1.00 19.60 ? 133 VAL A CB  1 
ATOM   1079 C CG1 . VAL A 1 133 ? 4.856   6.644   21.066 1.00 18.66 ? 133 VAL A CG1 1 
ATOM   1080 C CG2 . VAL A 1 133 ? 6.009   6.513   23.265 1.00 18.66 ? 133 VAL A CG2 1 
ATOM   1081 N N   . LEU A 1 134 ? 8.275   9.318   21.962 1.00 19.48 ? 134 LEU A N   1 
ATOM   1082 C CA  . LEU A 1 134 ? 9.243   10.153  22.650 1.00 19.48 ? 134 LEU A CA  1 
ATOM   1083 C C   . LEU A 1 134 ? 8.647   11.530  22.900 1.00 19.48 ? 134 LEU A C   1 
ATOM   1084 O O   . LEU A 1 134 ? 7.553   11.867  22.420 1.00 19.48 ? 134 LEU A O   1 
ATOM   1085 C CB  . LEU A 1 134 ? 10.553  10.237  21.863 1.00 19.48 ? 134 LEU A CB  1 
ATOM   1086 C CG  . LEU A 1 134 ? 10.551  10.598  20.368 1.00 19.48 ? 134 LEU A CG  1 
ATOM   1087 C CD1 . LEU A 1 134 ? 10.211  12.057  20.111 1.00 29.08 ? 134 LEU A CD1 1 
ATOM   1088 C CD2 . LEU A 1 134 ? 11.921  10.287  19.749 1.00 30.82 ? 134 LEU A CD2 1 
ATOM   1089 N N   . GLU A 1 135 ? 9.367   12.297  23.721 1.00 19.46 ? 135 GLU A N   1 
ATOM   1090 C CA  . GLU A 1 135 ? 9.066   13.698  23.990 1.00 19.46 ? 135 GLU A CA  1 
ATOM   1091 C C   . GLU A 1 135 ? 9.750   14.540  22.916 1.00 19.46 ? 135 GLU A C   1 
ATOM   1092 O O   . GLU A 1 135 ? 10.981  14.601  22.861 1.00 21.34 ? 135 GLU A O   1 
ATOM   1093 C CB  . GLU A 1 135 ? 9.582   14.071  25.378 1.00 47.46 ? 135 GLU A CB  1 
ATOM   1094 C CG  . GLU A 1 135 ? 8.695   14.976  26.188 1.00 47.46 ? 135 GLU A CG  1 
ATOM   1095 C CD  . GLU A 1 135 ? 8.865   16.449  25.855 1.00 47.46 ? 135 GLU A CD  1 
ATOM   1096 O OE1 . GLU A 1 135 ? 7.943   17.030  25.236 1.00 47.46 ? 135 GLU A OE1 1 
ATOM   1097 O OE2 . GLU A 1 135 ? 9.897   17.036  26.244 1.00 47.46 ? 135 GLU A OE2 1 
ATOM   1098 N N   . ALA A 1 136 ? 8.964   15.131  22.016 1.00 23.00 ? 136 ALA A N   1 
ATOM   1099 C CA  . ALA A 1 136 ? 9.513   15.977  20.963 1.00 23.00 ? 136 ALA A CA  1 
ATOM   1100 C C   . ALA A 1 136 ? 9.224   17.461  21.142 1.00 23.00 ? 136 ALA A C   1 
ATOM   1101 O O   . ALA A 1 136 ? 9.635   18.260  20.293 1.00 27.55 ? 136 ALA A O   1 
ATOM   1102 C CB  . ALA A 1 136 ? 9.001   15.518  19.593 1.00 23.00 ? 136 ALA A CB  1 
ATOM   1103 N N   . ALA A 1 137 ? 8.524   17.856  22.212 1.00 18.14 ? 137 ALA A N   1 
ATOM   1104 C CA  . ALA A 1 137 ? 8.077   19.243  22.343 1.00 33.53 ? 137 ALA A CA  1 
ATOM   1105 C C   . ALA A 1 137 ? 9.203   20.217  22.666 1.00 24.90 ? 137 ALA A C   1 
ATOM   1106 O O   . ALA A 1 137 ? 9.092   21.402  22.341 1.00 25.81 ? 137 ALA A O   1 
ATOM   1107 C CB  . ALA A 1 137 ? 6.987   19.337  23.405 1.00 24.48 ? 137 ALA A CB  1 
ATOM   1108 N N   . GLY A 1 138 ? 10.289  19.755  23.279 1.00 18.77 ? 138 GLY A N   1 
ATOM   1109 C CA  . GLY A 1 138 ? 11.361  20.665  23.666 1.00 18.77 ? 138 GLY A CA  1 
ATOM   1110 C C   . GLY A 1 138 ? 12.072  21.276  22.470 1.00 24.62 ? 138 GLY A C   1 
ATOM   1111 O O   . GLY A 1 138 ? 12.270  20.634  21.439 1.00 21.01 ? 138 GLY A O   1 
ATOM   1112 N N   . LYS A 1 139 ? 12.453  22.546  22.611 1.00 24.01 ? 139 LYS A N   1 
ATOM   1113 C CA  . LYS A 1 139 ? 13.214  23.185  21.544 1.00 26.97 ? 139 LYS A CA  1 
ATOM   1114 C C   . LYS A 1 139 ? 14.520  22.467  21.256 1.00 21.24 ? 139 LYS A C   1 
ATOM   1115 O O   . LYS A 1 139 ? 15.076  22.616  20.163 1.00 22.30 ? 139 LYS A O   1 
ATOM   1116 C CB  . LYS A 1 139 ? 13.505  24.641  21.884 1.00 49.24 ? 139 LYS A CB  1 
ATOM   1117 C CG  . LYS A 1 139 ? 12.391  25.598  21.577 1.00 49.24 ? 139 LYS A CG  1 
ATOM   1118 C CD  . LYS A 1 139 ? 12.944  27.013  21.549 1.00 49.24 ? 139 LYS A CD  1 
ATOM   1119 C CE  . LYS A 1 139 ? 14.243  27.074  20.723 1.00 49.24 ? 139 LYS A CE  1 
ATOM   1120 N NZ  . LYS A 1 139 ? 15.046  28.338  20.877 1.00 49.24 ? 139 LYS A NZ  1 
ATOM   1121 N N   . ASP A 1 140 ? 15.021  21.696  22.208 1.00 24.42 ? 140 ASP A N   1 
ATOM   1122 C CA  . ASP A 1 140 ? 16.324  21.081  22.029 1.00 24.42 ? 140 ASP A CA  1 
ATOM   1123 C C   . ASP A 1 140 ? 16.237  19.985  20.977 1.00 24.42 ? 140 ASP A C   1 
ATOM   1124 O O   . ASP A 1 140 ? 17.145  19.807  20.154 1.00 24.42 ? 140 ASP A O   1 
ATOM   1125 C CB  . ASP A 1 140 ? 16.744  20.490  23.360 1.00 25.26 ? 140 ASP A CB  1 
ATOM   1126 C CG  . ASP A 1 140 ? 16.934  21.562  24.421 1.00 42.70 ? 140 ASP A CG  1 
ATOM   1127 O OD1 . ASP A 1 140 ? 18.058  22.127  24.499 1.00 28.32 ? 140 ASP A OD1 1 
ATOM   1128 O OD2 . ASP A 1 140 ? 15.975  21.820  25.198 1.00 27.55 ? 140 ASP A OD2 1 
ATOM   1129 N N   . PHE A 1 141 ? 15.166  19.194  21.065 1.00 21.40 ? 141 PHE A N   1 
ATOM   1130 C CA  . PHE A 1 141 ? 14.840  18.166  20.092 1.00 21.40 ? 141 PHE A CA  1 
ATOM   1131 C C   . PHE A 1 141 ? 14.396  18.762  18.767 1.00 21.40 ? 141 PHE A C   1 
ATOM   1132 O O   . PHE A 1 141 ? 14.788  18.268  17.707 1.00 22.84 ? 141 PHE A O   1 
ATOM   1133 C CB  . PHE A 1 141 ? 13.758  17.271  20.676 1.00 21.40 ? 141 PHE A CB  1 
ATOM   1134 C CG  . PHE A 1 141 ? 13.428  16.082  19.839 1.00 21.40 ? 141 PHE A CG  1 
ATOM   1135 C CD1 . PHE A 1 141 ? 12.520  16.188  18.794 1.00 21.40 ? 141 PHE A CD1 1 
ATOM   1136 C CD2 . PHE A 1 141 ? 14.024  14.861  20.087 1.00 23.33 ? 141 PHE A CD2 1 
ATOM   1137 C CE1 . PHE A 1 141 ? 12.187  15.092  18.023 1.00 23.90 ? 141 PHE A CE1 1 
ATOM   1138 C CE2 . PHE A 1 141 ? 13.704  13.756  19.310 1.00 21.40 ? 141 PHE A CE2 1 
ATOM   1139 C CZ  . PHE A 1 141 ? 12.782  13.872  18.275 1.00 21.40 ? 141 PHE A CZ  1 
ATOM   1140 N N   . GLN A 1 142 ? 13.556  19.810  18.813 1.00 23.23 ? 142 GLN A N   1 
ATOM   1141 C CA  . GLN A 1 142 ? 13.044  20.411  17.585 1.00 24.42 ? 142 GLN A CA  1 
ATOM   1142 C C   . GLN A 1 142 ? 14.180  20.919  16.712 1.00 18.56 ? 142 GLN A C   1 
ATOM   1143 O O   . GLN A 1 142 ? 14.128  20.813  15.480 1.00 19.48 ? 142 GLN A O   1 
ATOM   1144 C CB  . GLN A 1 142 ? 12.050  21.529  17.908 1.00 18.56 ? 142 GLN A CB  1 
ATOM   1145 C CG  . GLN A 1 142 ? 10.842  21.041  18.676 1.00 30.43 ? 142 GLN A CG  1 
ATOM   1146 C CD  . GLN A 1 142 ? 9.664   20.710  17.778 1.00 67.55 ? 142 GLN A CD  1 
ATOM   1147 O OE1 . GLN A 1 142 ? 8.735   20.005  18.193 1.00 44.02 ? 142 GLN A OE1 1 
ATOM   1148 N NE2 . GLN A 1 142 ? 9.701   21.194  16.543 1.00 79.92 ? 142 GLN A NE2 1 
ATOM   1149 N N   . LEU A 1 143 ? 15.214  21.470  17.325 1.00 25.67 ? 143 LEU A N   1 
ATOM   1150 C CA  . LEU A 1 143 ? 16.305  22.088  16.591 1.00 25.38 ? 143 LEU A CA  1 
ATOM   1151 C C   . LEU A 1 143 ? 17.456  21.125  16.372 1.00 33.86 ? 143 LEU A C   1 
ATOM   1152 O O   . LEU A 1 143 ? 18.524  21.553  15.914 1.00 31.09 ? 143 LEU A O   1 
ATOM   1153 C CB  . LEU A 1 143 ? 16.779  23.403  17.233 1.00 27.30 ? 143 LEU A CB  1 
ATOM   1154 C CG  . LEU A 1 143 ? 15.864  24.645  17.189 1.00 31.61 ? 143 LEU A CG  1 
ATOM   1155 C CD1 . LEU A 1 143 ? 14.379  24.409  17.421 1.00 35.02 ? 143 LEU A CD1 1 
ATOM   1156 C CD2 . LEU A 1 143 ? 16.385  25.720  18.127 1.00 32.31 ? 143 LEU A CD2 1 
ATOM   1157 N N   . TYR A 1 144 ? 17.282  19.853  16.741 1.00 24.49 ? 144 TYR A N   1 
ATOM   1158 C CA  . TYR A 1 144 ? 18.364  18.892  16.610 1.00 22.80 ? 144 TYR A CA  1 
ATOM   1159 C C   . TYR A 1 144 ? 18.863  18.909  15.176 1.00 19.31 ? 144 TYR A C   1 
ATOM   1160 O O   . TYR A 1 144 ? 18.081  18.860  14.221 1.00 19.31 ? 144 TYR A O   1 
ATOM   1161 C CB  . TYR A 1 144 ? 17.858  17.504  17.001 1.00 21.16 ? 144 TYR A CB  1 
ATOM   1162 C CG  . TYR A 1 144 ? 18.754  16.359  16.613 1.00 19.31 ? 144 TYR A CG  1 
ATOM   1163 C CD1 . TYR A 1 144 ? 19.845  15.994  17.379 1.00 19.31 ? 144 TYR A CD1 1 
ATOM   1164 C CD2 . TYR A 1 144 ? 18.484  15.622  15.453 1.00 19.31 ? 144 TYR A CD2 1 
ATOM   1165 C CE1 . TYR A 1 144 ? 20.662  14.920  16.990 1.00 19.31 ? 144 TYR A CE1 1 
ATOM   1166 C CE2 . TYR A 1 144 ? 19.288  14.554  15.058 1.00 19.31 ? 144 TYR A CE2 1 
ATOM   1167 C CZ  . TYR A 1 144 ? 20.375  14.203  15.826 1.00 19.31 ? 144 TYR A CZ  1 
ATOM   1168 O OH  . TYR A 1 144 ? 21.159  13.141  15.431 1.00 19.31 ? 144 TYR A OH  1 
ATOM   1169 N N   . ARG A 1 145 ? 20.179  19.003  15.039 1.00 29.57 ? 145 ARG A N   1 
ATOM   1170 C CA  . ARG A 1 145 ? 20.851  19.004  13.749 1.00 31.99 ? 145 ARG A CA  1 
ATOM   1171 C C   . ARG A 1 145 ? 21.703  17.774  13.520 1.00 29.40 ? 145 ARG A C   1 
ATOM   1172 O O   . ARG A 1 145 ? 21.943  17.404  12.372 1.00 37.38 ? 145 ARG A O   1 
ATOM   1173 C CB  . ARG A 1 145 ? 21.731  20.256  13.644 1.00 38.65 ? 145 ARG A CB  1 
ATOM   1174 C CG  . ARG A 1 145 ? 20.900  21.517  13.859 1.00 39.31 ? 145 ARG A CG  1 
ATOM   1175 C CD  . ARG A 1 145 ? 21.704  22.810  13.934 1.00 64.58 ? 145 ARG A CD  1 
ATOM   1176 N NE  . ARG A 1 145 ? 20.863  23.868  14.485 1.00 83.16 ? 145 ARG A NE  1 
ATOM   1177 C CZ  . ARG A 1 145 ? 20.685  25.069  13.953 1.00 87.11 ? 145 ARG A CZ  1 
ATOM   1178 N NH1 . ARG A 1 145 ? 21.287  25.426  12.828 1.00 81.84 ? 145 ARG A NH1 1 
ATOM   1179 N NH2 . ARG A 1 145 ? 19.878  25.935  14.566 1.00 67.07 ? 145 ARG A NH2 1 
ATOM   1180 N N   . GLY A 1 146 ? 22.177  17.149  14.579 1.00 20.55 ? 146 GLY A N   1 
ATOM   1181 C CA  . GLY A 1 146 ? 23.025  15.992  14.414 1.00 18.02 ? 146 GLY A CA  1 
ATOM   1182 C C   . GLY A 1 146 ? 23.745  15.674  15.697 1.00 25.78 ? 146 GLY A C   1 
ATOM   1183 O O   . GLY A 1 146 ? 23.715  16.427  16.673 1.00 27.95 ? 146 GLY A O   1 
ATOM   1184 N N   . GLY A 1 147 ? 24.384  14.522  15.677 1.00 22.46 ? 147 GLY A N   1 
ATOM   1185 C CA  . GLY A 1 147 ? 25.072  14.015  16.838 1.00 19.39 ? 147 GLY A CA  1 
ATOM   1186 C C   . GLY A 1 147 ? 24.192  13.060  17.597 1.00 18.71 ? 147 GLY A C   1 
ATOM   1187 O O   . GLY A 1 147 ? 23.037  12.801  17.248 1.00 22.41 ? 147 GLY A O   1 
ATOM   1188 N N   . ILE A 1 148 ? 24.752  12.546  18.680 1.00 22.28 ? 148 ILE A N   1 
ATOM   1189 C CA  . ILE A 1 148 ? 24.016  11.646  19.555 1.00 22.14 ? 148 ILE A CA  1 
ATOM   1190 C C   . ILE A 1 148 ? 23.214  12.531  20.503 1.00 26.44 ? 148 ILE A C   1 
ATOM   1191 O O   . ILE A 1 148 ? 23.788  13.237  21.337 1.00 24.90 ? 148 ILE A O   1 
ATOM   1192 C CB  . ILE A 1 148 ? 24.965  10.733  20.331 1.00 21.81 ? 148 ILE A CB  1 
ATOM   1193 C CG1 . ILE A 1 148 ? 25.697  9.789   19.373 1.00 27.34 ? 148 ILE A CG1 1 
ATOM   1194 C CG2 . ILE A 1 148 ? 24.166  9.955   21.365 1.00 22.06 ? 148 ILE A CG2 1 
ATOM   1195 C CD1 . ILE A 1 148 ? 25.063  8.489   19.156 1.00 29.55 ? 148 ILE A CD1 1 
ATOM   1196 N N   . PHE A 1 149 ? 21.891  12.529  20.361 1.00 16.42 ? 149 PHE A N   1 
ATOM   1197 C CA  . PHE A 1 149 ? 21.073  13.455  21.131 1.00 22.60 ? 149 PHE A CA  1 
ATOM   1198 C C   . PHE A 1 149 ? 20.923  12.961  22.558 1.00 16.42 ? 149 PHE A C   1 
ATOM   1199 O O   . PHE A 1 149 ? 20.531  11.816  22.796 1.00 18.35 ? 149 PHE A O   1 
ATOM   1200 C CB  . PHE A 1 149 ? 19.700  13.610  20.500 1.00 16.42 ? 149 PHE A CB  1 
ATOM   1201 C CG  . PHE A 1 149 ? 18.851  14.651  21.156 1.00 17.43 ? 149 PHE A CG  1 
ATOM   1202 C CD1 . PHE A 1 149 ? 19.147  15.999  21.011 1.00 21.45 ? 149 PHE A CD1 1 
ATOM   1203 C CD2 . PHE A 1 149 ? 17.743  14.285  21.908 1.00 23.00 ? 149 PHE A CD2 1 
ATOM   1204 C CE1 . PHE A 1 149 ? 18.353  16.964  21.604 1.00 19.04 ? 149 PHE A CE1 1 
ATOM   1205 C CE2 . PHE A 1 149 ? 16.940  15.247  22.498 1.00 18.83 ? 149 PHE A CE2 1 
ATOM   1206 C CZ  . PHE A 1 149 ? 17.245  16.587  22.347 1.00 18.79 ? 149 PHE A CZ  1 
ATOM   1207 N N   . VAL A 1 150 ? 21.253  13.820  23.510 1.00 17.89 ? 150 VAL A N   1 
ATOM   1208 C CA  . VAL A 1 150 ? 21.145  13.477  24.917 1.00 18.03 ? 150 VAL A CA  1 
ATOM   1209 C C   . VAL A 1 150 ? 20.079  14.295  25.625 1.00 25.58 ? 150 VAL A C   1 
ATOM   1210 O O   . VAL A 1 150 ? 19.874  14.127  26.841 1.00 28.13 ? 150 VAL A O   1 
ATOM   1211 C CB  . VAL A 1 150 ? 22.510  13.608  25.616 1.00 27.41 ? 150 VAL A CB  1 
ATOM   1212 C CG1 . VAL A 1 150 ? 22.763  15.041  26.059 1.00 30.00 ? 150 VAL A CG1 1 
ATOM   1213 C CG2 . VAL A 1 150 ? 22.584  12.640  26.775 1.00 19.28 ? 150 VAL A CG2 1 
ATOM   1214 N N   . GLY A 1 151 ? 19.361  15.143  24.892 1.00 20.85 ? 151 GLY A N   1 
ATOM   1215 C CA  . GLY A 1 151 ? 18.495  16.129  25.484 1.00 20.29 ? 151 GLY A CA  1 
ATOM   1216 C C   . GLY A 1 151 ? 19.102  17.516  25.461 1.00 21.94 ? 151 GLY A C   1 
ATOM   1217 O O   . GLY A 1 151 ? 20.009  17.804  24.677 1.00 25.05 ? 151 GLY A O   1 
ATOM   1218 N N   . PRO A 1 152 ? 18.646  18.394  26.348 1.00 21.33 ? 152 PRO A N   1 
ATOM   1219 C CA  . PRO A 1 152 ? 17.666  18.166  27.421 1.00 21.33 ? 152 PRO A CA  1 
ATOM   1220 C C   . PRO A 1 152 ? 16.272  17.746  26.949 1.00 26.89 ? 152 PRO A C   1 
ATOM   1221 O O   . PRO A 1 152 ? 15.814  18.208  25.908 1.00 31.68 ? 152 PRO A O   1 
ATOM   1222 C CB  . PRO A 1 152 ? 17.609  19.537  28.113 1.00 21.33 ? 152 PRO A CB  1 
ATOM   1223 C CG  . PRO A 1 152 ? 18.958  20.152  27.851 1.00 21.33 ? 152 PRO A CG  1 
ATOM   1224 C CD  . PRO A 1 152 ? 19.279  19.718  26.451 1.00 21.33 ? 152 PRO A CD  1 
ATOM   1225 N N   . CYS A 1 153 ? 15.581  16.887  27.696 1.00 35.68 ? 153 CYS A N   1 
ATOM   1226 C CA  . CYS A 1 153 ? 14.184  16.558  27.431 1.00 35.75 ? 153 CYS A CA  1 
ATOM   1227 C C   . CYS A 1 153 ? 13.658  15.827  28.653 1.00 39.67 ? 153 CYS A C   1 
ATOM   1228 O O   . CYS A 1 153 ? 14.418  15.165  29.363 1.00 41.79 ? 153 CYS A O   1 
ATOM   1229 C CB  . CYS A 1 153 ? 13.972  15.706  26.160 1.00 31.93 ? 153 CYS A CB  1 
ATOM   1230 S SG  . CYS A 1 153 ? 14.961  14.192  25.998 1.00 33.38 ? 153 CYS A SG  1 
ATOM   1231 N N   . GLY A 1 154 ? 12.355  15.915  28.864 1.00 37.40 ? 154 GLY A N   1 
ATOM   1232 C CA  . GLY A 1 154 ? 11.687  15.138  29.885 1.00 35.27 ? 154 GLY A CA  1 
ATOM   1233 C C   . GLY A 1 154 ? 11.121  13.856  29.331 1.00 31.11 ? 154 GLY A C   1 
ATOM   1234 O O   . GLY A 1 154 ? 11.563  13.348  28.301 1.00 31.94 ? 154 GLY A O   1 
ATOM   1235 N N   . ASN A 1 155 ? 10.130  13.317  30.037 1.00 26.15 ? 155 ASN A N   1 
ATOM   1236 C CA  . ASN A 1 155 ? 9.523   12.041  29.673 1.00 39.47 ? 155 ASN A CA  1 
ATOM   1237 C C   . ASN A 1 155 ? 8.061   12.186  29.260 1.00 26.64 ? 155 ASN A C   1 
ATOM   1238 O O   . ASN A 1 155 ? 7.349   11.178  29.150 1.00 31.82 ? 155 ASN A O   1 
ATOM   1239 C CB  . ASN A 1 155 ? 9.652   11.047  30.832 1.00 49.20 ? 155 ASN A CB  1 
ATOM   1240 C CG  . ASN A 1 155 ? 11.014  11.106  31.505 1.00 74.77 ? 155 ASN A CG  1 
ATOM   1241 O OD1 . ASN A 1 155 ? 12.002  11.512  30.896 1.00 47.98 ? 155 ASN A OD1 1 
ATOM   1242 N ND2 . ASN A 1 155 ? 11.065  10.728  32.776 1.00 58.44 ? 155 ASN A ND2 1 
ATOM   1243 N N   . LYS A 1 156 ? 7.601   13.410  29.014 1.00 34.76 ? 156 LYS A N   1 
ATOM   1244 C CA  . LYS A 1 156 ? 6.202   13.676  28.693 1.00 36.02 ? 156 LYS A CA  1 
ATOM   1245 C C   . LYS A 1 156 ? 5.957   13.362  27.216 1.00 33.92 ? 156 LYS A C   1 
ATOM   1246 O O   . LYS A 1 156 ? 5.797   14.245  26.371 1.00 35.68 ? 156 LYS A O   1 
ATOM   1247 C CB  . LYS A 1 156 ? 5.874   15.123  29.045 1.00 35.84 ? 156 LYS A CB  1 
ATOM   1248 C CG  . LYS A 1 156 ? 4.463   15.594  28.710 1.00 35.84 ? 156 LYS A CG  1 
ATOM   1249 C CD  . LYS A 1 156 ? 3.372   14.792  29.409 1.00 35.84 ? 156 LYS A CD  1 
ATOM   1250 C CE  . LYS A 1 156 ? 2.038   15.472  29.166 1.00 35.84 ? 156 LYS A CE  1 
ATOM   1251 N NZ  . LYS A 1 156 ? 2.139   16.927  29.514 1.00 35.84 ? 156 LYS A NZ  1 
ATOM   1252 N N   . VAL A 1 157 ? 5.926   12.064  26.902 1.00 27.97 ? 157 VAL A N   1 
ATOM   1253 C CA  . VAL A 1 157 ? 5.954   11.661  25.498 1.00 23.43 ? 157 VAL A CA  1 
ATOM   1254 C C   . VAL A 1 157 ? 4.746   12.200  24.751 1.00 23.43 ? 157 VAL A C   1 
ATOM   1255 O O   . VAL A 1 157 ? 3.630   12.274  25.282 1.00 23.89 ? 157 VAL A O   1 
ATOM   1256 C CB  . VAL A 1 157 ? 6.041   10.131  25.359 1.00 23.43 ? 157 VAL A CB  1 
ATOM   1257 C CG1 . VAL A 1 157 ? 7.347   9.611   25.966 1.00 23.43 ? 157 VAL A CG1 1 
ATOM   1258 C CG2 . VAL A 1 157 ? 4.843   9.466   26.005 1.00 25.61 ? 157 VAL A CG2 1 
ATOM   1259 N N   . ASP A 1 158 ? 4.981   12.598  23.500 1.00 23.04 ? 158 ASP A N   1 
ATOM   1260 C CA  . ASP A 1 158 ? 3.955   13.284  22.725 1.00 23.64 ? 158 ASP A CA  1 
ATOM   1261 C C   . ASP A 1 158 ? 4.130   13.068  21.228 1.00 30.83 ? 158 ASP A C   1 
ATOM   1262 O O   . ASP A 1 158 ? 3.377   13.665  20.446 1.00 27.37 ? 158 ASP A O   1 
ATOM   1263 C CB  . ASP A 1 158 ? 3.941   14.797  23.042 1.00 23.04 ? 158 ASP A CB  1 
ATOM   1264 C CG  . ASP A 1 158 ? 5.282   15.465  22.795 1.00 35.53 ? 158 ASP A CG  1 
ATOM   1265 O OD1 . ASP A 1 158 ? 5.574   15.821  21.633 1.00 23.95 ? 158 ASP A OD1 1 
ATOM   1266 O OD2 . ASP A 1 158 ? 6.050   15.628  23.765 1.00 38.97 ? 158 ASP A OD2 1 
ATOM   1267 N N   . HIS A 1 159 ? 5.048   12.206  20.801 1.00 24.23 ? 159 HIS A N   1 
ATOM   1268 C CA  . HIS A 1 159 ? 5.435   12.136  19.398 1.00 21.41 ? 159 HIS A CA  1 
ATOM   1269 C C   . HIS A 1 159 ? 5.861   10.717  19.080 1.00 25.55 ? 159 HIS A C   1 
ATOM   1270 O O   . HIS A 1 159 ? 6.770   10.190  19.721 1.00 22.41 ? 159 HIS A O   1 
ATOM   1271 C CB  . HIS A 1 159 ? 6.574   13.096  19.083 1.00 21.41 ? 159 HIS A CB  1 
ATOM   1272 C CG  . HIS A 1 159 ? 6.896   13.176  17.625 1.00 26.78 ? 159 HIS A CG  1 
ATOM   1273 N ND1 . HIS A 1 159 ? 5.939   13.424  16.665 1.00 28.03 ? 159 HIS A ND1 1 
ATOM   1274 C CD2 . HIS A 1 159 ? 8.070   13.046  16.963 1.00 22.69 ? 159 HIS A CD2 1 
ATOM   1275 C CE1 . HIS A 1 159 ? 6.510   13.441  15.475 1.00 29.67 ? 159 HIS A CE1 1 
ATOM   1276 N NE2 . HIS A 1 159 ? 7.802   13.216  15.627 1.00 24.72 ? 159 HIS A NE2 1 
ATOM   1277 N N   . ALA A 1 160 ? 5.241   10.122  18.064 1.00 20.05 ? 160 ALA A N   1 
ATOM   1278 C CA  . ALA A 1 160 ? 5.548   8.753   17.667 1.00 20.05 ? 160 ALA A CA  1 
ATOM   1279 C C   . ALA A 1 160 ? 6.536   8.757   16.509 1.00 20.05 ? 160 ALA A C   1 
ATOM   1280 O O   . ALA A 1 160 ? 6.388   9.518   15.546 1.00 20.05 ? 160 ALA A O   1 
ATOM   1281 C CB  . ALA A 1 160 ? 4.273   7.995   17.287 1.00 20.05 ? 160 ALA A CB  1 
ATOM   1282 N N   . VAL A 1 161 ? 7.543   7.905   16.620 1.00 14.41 ? 161 VAL A N   1 
ATOM   1283 C CA  . VAL A 1 161 ? 8.628   7.798   15.667 1.00 14.41 ? 161 VAL A CA  1 
ATOM   1284 C C   . VAL A 1 161 ? 8.946   6.325   15.535 1.00 14.41 ? 161 VAL A C   1 
ATOM   1285 O O   . VAL A 1 161 ? 8.246   5.473   16.100 1.00 14.41 ? 161 VAL A O   1 
ATOM   1286 C CB  . VAL A 1 161 ? 9.861   8.591   16.113 1.00 14.41 ? 161 VAL A CB  1 
ATOM   1287 C CG1 . VAL A 1 161 ? 9.574   10.073  16.086 1.00 14.41 ? 161 VAL A CG1 1 
ATOM   1288 C CG2 . VAL A 1 161 ? 10.234  8.171   17.521 1.00 14.41 ? 161 VAL A CG2 1 
ATOM   1289 N N   . ALA A 1 162 ? 10.034  5.998   14.860 1.00 13.56 ? 162 ALA A N   1 
ATOM   1290 C CA  . ALA A 1 162 ? 10.337  4.590   14.676 1.00 13.56 ? 162 ALA A CA  1 
ATOM   1291 C C   . ALA A 1 162 ? 11.787  4.296   14.993 1.00 13.56 ? 162 ALA A C   1 
ATOM   1292 O O   . ALA A 1 162 ? 12.671  5.041   14.580 1.00 14.45 ? 162 ALA A O   1 
ATOM   1293 C CB  . ALA A 1 162 ? 10.015  4.166   13.240 1.00 13.56 ? 162 ALA A CB  1 
ATOM   1294 N N   . ALA A 1 163 ? 12.037  3.248   15.763 1.00 14.38 ? 163 ALA A N   1 
ATOM   1295 C CA  . ALA A 1 163 ? 13.407  2.840   16.006 1.00 14.38 ? 163 ALA A CA  1 
ATOM   1296 C C   . ALA A 1 163 ? 13.773  1.860   14.900 1.00 14.38 ? 163 ALA A C   1 
ATOM   1297 O O   . ALA A 1 163 ? 13.116  0.819   14.735 1.00 14.38 ? 163 ALA A O   1 
ATOM   1298 C CB  . ALA A 1 163 ? 13.568  2.184   17.378 1.00 14.38 ? 163 ALA A CB  1 
ATOM   1299 N N   . VAL A 1 164 ? 14.814  2.197   14.142 1.00 12.33 ? 164 VAL A N   1 
ATOM   1300 C CA  . VAL A 1 164 ? 15.237  1.409   13.001 1.00 12.33 ? 164 VAL A CA  1 
ATOM   1301 C C   . VAL A 1 164 ? 16.666  0.913   13.160 1.00 12.33 ? 164 VAL A C   1 
ATOM   1302 O O   . VAL A 1 164 ? 17.230  0.341   12.225 1.00 13.46 ? 164 VAL A O   1 
ATOM   1303 C CB  . VAL A 1 164 ? 15.036  2.163   11.677 1.00 12.33 ? 164 VAL A CB  1 
ATOM   1304 C CG1 . VAL A 1 164 ? 13.555  2.448   11.476 1.00 12.33 ? 164 VAL A CG1 1 
ATOM   1305 C CG2 . VAL A 1 164 ? 15.882  3.427   11.642 1.00 12.33 ? 164 VAL A CG2 1 
ATOM   1306 N N   . GLY A 1 165 ? 17.259  1.111   14.331 1.00 12.39 ? 165 GLY A N   1 
ATOM   1307 C CA  . GLY A 1 165 ? 18.586  0.583   14.578 1.00 12.39 ? 165 GLY A CA  1 
ATOM   1308 C C   . GLY A 1 165 ? 19.065  1.009   15.937 1.00 12.39 ? 165 GLY A C   1 
ATOM   1309 O O   . GLY A 1 165 ? 18.336  1.642   16.705 1.00 12.39 ? 165 GLY A O   1 
ATOM   1310 N N   . TYR A 1 166 ? 20.311  0.661   16.229 1.00 15.03 ? 166 TYR A N   1 
ATOM   1311 C CA  . TYR A 1 166 ? 20.912  1.056   17.496 1.00 15.03 ? 166 TYR A CA  1 
ATOM   1312 C C   . TYR A 1 166 ? 22.404  0.820   17.378 1.00 15.03 ? 166 TYR A C   1 
ATOM   1313 O O   . TYR A 1 166 ? 22.877  0.145   16.457 1.00 15.03 ? 166 TYR A O   1 
ATOM   1314 C CB  . TYR A 1 166 ? 20.356  0.312   18.713 1.00 15.03 ? 166 TYR A CB  1 
ATOM   1315 C CG  . TYR A 1 166 ? 20.608  -1.171  18.773 1.00 15.03 ? 166 TYR A CG  1 
ATOM   1316 C CD1 . TYR A 1 166 ? 21.851  -1.660  19.153 1.00 15.03 ? 166 TYR A CD1 1 
ATOM   1317 C CD2 . TYR A 1 166 ? 19.599  -2.087  18.506 1.00 19.76 ? 166 TYR A CD2 1 
ATOM   1318 C CE1 . TYR A 1 166 ? 22.100  -3.017  19.229 1.00 15.03 ? 166 TYR A CE1 1 
ATOM   1319 C CE2 . TYR A 1 166 ? 19.837  -3.452  18.584 1.00 17.85 ? 166 TYR A CE2 1 
ATOM   1320 C CZ  . TYR A 1 166 ? 21.089  -3.907  18.947 1.00 15.03 ? 166 TYR A CZ  1 
ATOM   1321 O OH  . TYR A 1 166 ? 21.344  -5.257  19.029 1.00 15.49 ? 166 TYR A OH  1 
ATOM   1322 N N   . GLY A 1 167 ? 23.136  1.364   18.342 1.00 23.18 ? 167 GLY A N   1 
ATOM   1323 C CA  . GLY A 1 167 ? 24.543  1.099   18.492 1.00 22.61 ? 167 GLY A CA  1 
ATOM   1324 C C   . GLY A 1 167 ? 24.905  0.990   19.957 1.00 18.99 ? 167 GLY A C   1 
ATOM   1325 O O   . GLY A 1 167 ? 24.033  0.985   20.834 1.00 20.48 ? 167 GLY A O   1 
ATOM   1326 N N   . PRO A 1 168 ? 26.204  0.881   20.252 1.00 23.74 ? 168 PRO A N   1 
ATOM   1327 C CA  . PRO A 1 168 ? 26.616  0.704   21.652 1.00 31.70 ? 168 PRO A CA  1 
ATOM   1328 C C   . PRO A 1 168 ? 26.108  1.770   22.606 1.00 26.88 ? 168 PRO A C   1 
ATOM   1329 O O   . PRO A 1 168 ? 25.948  1.476   23.796 1.00 26.91 ? 168 PRO A O   1 
ATOM   1330 C CB  . PRO A 1 168 ? 28.150  0.680   21.558 1.00 27.92 ? 168 PRO A CB  1 
ATOM   1331 C CG  . PRO A 1 168 ? 28.493  1.049   20.122 1.00 22.45 ? 168 PRO A CG  1 
ATOM   1332 C CD  . PRO A 1 168 ? 27.265  1.537   19.469 1.00 22.45 ? 168 PRO A CD  1 
ATOM   1333 N N   . ASN A 1 169 ? 25.817  2.985   22.127 1.00 18.46 ? 169 ASN A N   1 
ATOM   1334 C CA  . ASN A 1 169 ? 25.395  4.080   22.997 1.00 18.46 ? 169 ASN A CA  1 
ATOM   1335 C C   . ASN A 1 169 ? 24.155  4.815   22.491 1.00 18.46 ? 169 ASN A C   1 
ATOM   1336 O O   . ASN A 1 169 ? 23.757  5.817   23.098 1.00 18.46 ? 169 ASN A O   1 
ATOM   1337 C CB  . ASN A 1 169 ? 26.537  5.091   23.179 1.00 32.46 ? 169 ASN A CB  1 
ATOM   1338 C CG  . ASN A 1 169 ? 26.996  5.694   21.862 1.00 40.74 ? 169 ASN A CG  1 
ATOM   1339 O OD1 . ASN A 1 169 ? 27.439  4.981   20.956 1.00 42.56 ? 169 ASN A OD1 1 
ATOM   1340 N ND2 . ASN A 1 169 ? 26.867  7.007   21.738 1.00 77.62 ? 169 ASN A ND2 1 
ATOM   1341 N N   . TYR A 1 170 ? 23.533  4.364   21.405 1.00 19.55 ? 170 TYR A N   1 
ATOM   1342 C CA  . TYR A 1 170 ? 22.405  5.100   20.854 1.00 19.55 ? 170 TYR A CA  1 
ATOM   1343 C C   . TYR A 1 170 ? 21.340  4.152   20.331 1.00 26.66 ? 170 TYR A C   1 
ATOM   1344 O O   . TYR A 1 170 ? 21.556  2.950   20.170 1.00 19.83 ? 170 TYR A O   1 
ATOM   1345 C CB  . TYR A 1 170 ? 22.845  6.052   19.729 1.00 19.55 ? 170 TYR A CB  1 
ATOM   1346 C CG  . TYR A 1 170 ? 23.387  5.381   18.486 1.00 19.55 ? 170 TYR A CG  1 
ATOM   1347 C CD1 . TYR A 1 170 ? 22.536  4.797   17.532 1.00 19.55 ? 170 TYR A CD1 1 
ATOM   1348 C CD2 . TYR A 1 170 ? 24.762  5.279   18.286 1.00 25.34 ? 170 TYR A CD2 1 
ATOM   1349 C CE1 . TYR A 1 170 ? 23.045  4.171   16.397 1.00 19.55 ? 170 TYR A CE1 1 
ATOM   1350 C CE2 . TYR A 1 170 ? 25.278  4.654   17.164 1.00 22.82 ? 170 TYR A CE2 1 
ATOM   1351 C CZ  . TYR A 1 170 ? 24.417  4.105   16.228 1.00 25.14 ? 170 TYR A CZ  1 
ATOM   1352 O OH  . TYR A 1 170 ? 24.964  3.500   15.124 1.00 26.26 ? 170 TYR A OH  1 
ATOM   1353 N N   . ILE A 1 171 ? 20.168  4.726   20.101 1.00 12.95 ? 171 ILE A N   1 
ATOM   1354 C CA  . ILE A 1 171 ? 19.091  4.106   19.349 1.00 12.95 ? 171 ILE A CA  1 
ATOM   1355 C C   . ILE A 1 171 ? 18.829  4.997   18.136 1.00 13.18 ? 171 ILE A C   1 
ATOM   1356 O O   . ILE A 1 171 ? 18.749  6.223   18.267 1.00 12.95 ? 171 ILE A O   1 
ATOM   1357 C CB  . ILE A 1 171 ? 17.837  3.946   20.230 1.00 13.49 ? 171 ILE A CB  1 
ATOM   1358 C CG1 . ILE A 1 171 ? 18.099  2.873   21.284 1.00 12.95 ? 171 ILE A CG1 1 
ATOM   1359 C CG2 . ILE A 1 171 ? 16.608  3.587   19.415 1.00 13.71 ? 171 ILE A CG2 1 
ATOM   1360 C CD1 . ILE A 1 171 ? 17.061  2.816   22.366 1.00 14.59 ? 171 ILE A CD1 1 
ATOM   1361 N N   . LEU A 1 172 ? 18.682  4.386   16.969 1.00 14.85 ? 172 LEU A N   1 
ATOM   1362 C CA  . LEU A 1 172 ? 18.548  5.113   15.713 1.00 14.85 ? 172 LEU A CA  1 
ATOM   1363 C C   . LEU A 1 172 ? 17.065  5.285   15.399 1.00 14.85 ? 172 LEU A C   1 
ATOM   1364 O O   . LEU A 1 172 ? 16.326  4.296   15.345 1.00 14.85 ? 172 LEU A O   1 
ATOM   1365 C CB  . LEU A 1 172 ? 19.237  4.364   14.573 1.00 14.85 ? 172 LEU A CB  1 
ATOM   1366 C CG  . LEU A 1 172 ? 19.046  4.953   13.162 1.00 14.85 ? 172 LEU A CG  1 
ATOM   1367 C CD1 . LEU A 1 172 ? 19.674  6.324   13.012 1.00 14.85 ? 172 LEU A CD1 1 
ATOM   1368 C CD2 . LEU A 1 172 ? 19.506  3.999   12.058 1.00 14.85 ? 172 LEU A CD2 1 
ATOM   1369 N N   . ILE A 1 173 ? 16.619  6.520   15.215 1.00 14.90 ? 173 ILE A N   1 
ATOM   1370 C CA  . ILE A 1 173 ? 15.205  6.835   15.130 1.00 14.90 ? 173 ILE A CA  1 
ATOM   1371 C C   . ILE A 1 173 ? 14.935  7.485   13.777 1.00 14.90 ? 173 ILE A C   1 
ATOM   1372 O O   . ILE A 1 173 ? 15.600  8.459   13.400 1.00 15.33 ? 173 ILE A O   1 
ATOM   1373 C CB  . ILE A 1 173 ? 14.768  7.759   16.283 1.00 14.90 ? 173 ILE A CB  1 
ATOM   1374 C CG1 . ILE A 1 173 ? 14.970  7.086   17.640 1.00 19.54 ? 173 ILE A CG1 1 
ATOM   1375 C CG2 . ILE A 1 173 ? 13.329  8.203   16.104 1.00 14.90 ? 173 ILE A CG2 1 
ATOM   1376 C CD1 . ILE A 1 173 ? 14.132  5.858   17.822 1.00 17.61 ? 173 ILE A CD1 1 
ATOM   1377 N N   . LYS A 1 174 ? 13.951  6.948   13.063 1.00 14.96 ? 174 LYS A N   1 
ATOM   1378 C CA  . LYS A 1 174 ? 13.392  7.552   11.867 1.00 14.96 ? 174 LYS A CA  1 
ATOM   1379 C C   . LYS A 1 174 ? 12.246  8.450   12.298 1.00 14.96 ? 174 LYS A C   1 
ATOM   1380 O O   . LYS A 1 174 ? 11.237  7.973   12.844 1.00 14.96 ? 174 LYS A O   1 
ATOM   1381 C CB  . LYS A 1 174 ? 12.897  6.485   10.893 1.00 14.96 ? 174 LYS A CB  1 
ATOM   1382 C CG  . LYS A 1 174 ? 12.390  7.044   9.546  1.00 14.96 ? 174 LYS A CG  1 
ATOM   1383 C CD  . LYS A 1 174 ? 11.866  5.941   8.619  1.00 14.96 ? 174 LYS A CD  1 
ATOM   1384 C CE  . LYS A 1 174 ? 11.591  6.461   7.207  1.00 14.96 ? 174 LYS A CE  1 
ATOM   1385 N NZ  . LYS A 1 174 ? 10.776  5.499   6.396  1.00 14.96 ? 174 LYS A NZ  1 
ATOM   1386 N N   . ASN A 1 175 ? 12.427  9.748   12.098 1.00 14.25 ? 175 ASN A N   1 
ATOM   1387 C CA  . ASN A 1 175 ? 11.402  10.735  12.366 1.00 14.25 ? 175 ASN A CA  1 
ATOM   1388 C C   . ASN A 1 175 ? 10.622  10.972  11.080 1.00 14.25 ? 175 ASN A C   1 
ATOM   1389 O O   . ASN A 1 175 ? 11.008  10.525  9.997  1.00 14.55 ? 175 ASN A O   1 
ATOM   1390 C CB  . ASN A 1 175 ? 12.033  12.023  12.893 1.00 14.25 ? 175 ASN A CB  1 
ATOM   1391 C CG  . ASN A 1 175 ? 11.052  12.897  13.640 1.00 20.11 ? 175 ASN A CG  1 
ATOM   1392 O OD1 . ASN A 1 175 ? 9.888   12.543  13.797 1.00 14.25 ? 175 ASN A OD1 1 
ATOM   1393 N ND2 . ASN A 1 175 ? 11.535  14.025  14.161 1.00 17.03 ? 175 ASN A ND2 1 
ATOM   1394 N N   . SER A 1 176 ? 9.500   11.656  11.211 1.00 16.44 ? 176 SER A N   1 
ATOM   1395 C CA  . SER A 1 176 ? 8.593   11.949  10.115 1.00 16.44 ? 176 SER A CA  1 
ATOM   1396 C C   . SER A 1 176 ? 8.472   13.449  9.892  1.00 16.44 ? 176 SER A C   1 
ATOM   1397 O O   . SER A 1 176 ? 7.381   13.968  9.624  1.00 16.44 ? 176 SER A O   1 
ATOM   1398 C CB  . SER A 1 176 ? 7.234   11.337  10.400 1.00 16.44 ? 176 SER A CB  1 
ATOM   1399 O OG  . SER A 1 176 ? 6.810   11.710  11.700 1.00 17.16 ? 176 SER A OG  1 
ATOM   1400 N N   . TRP A 1 177 ? 9.603   14.161  9.940  1.00 18.81 ? 177 TRP A N   1 
ATOM   1401 C CA  . TRP A 1 177 ? 9.622   15.611  9.779  1.00 15.89 ? 177 TRP A CA  1 
ATOM   1402 C C   . TRP A 1 177 ? 10.321  16.045  8.499  1.00 17.57 ? 177 TRP A C   1 
ATOM   1403 O O   . TRP A 1 177 ? 10.806  17.176  8.406  1.00 16.11 ? 177 TRP A O   1 
ATOM   1404 C CB  . TRP A 1 177 ? 10.282  16.259  10.995 1.00 15.89 ? 177 TRP A CB  1 
ATOM   1405 C CG  . TRP A 1 177 ? 9.402   16.197  12.216 1.00 15.89 ? 177 TRP A CG  1 
ATOM   1406 C CD1 . TRP A 1 177 ? 8.102   15.778  12.260 1.00 15.89 ? 177 TRP A CD1 1 
ATOM   1407 C CD2 . TRP A 1 177 ? 9.733   16.608  13.554 1.00 15.89 ? 177 TRP A CD2 1 
ATOM   1408 N NE1 . TRP A 1 177 ? 7.615   15.878  13.538 1.00 18.75 ? 177 TRP A NE1 1 
ATOM   1409 C CE2 . TRP A 1 177 ? 8.593   16.383  14.352 1.00 19.46 ? 177 TRP A CE2 1 
ATOM   1410 C CE3 . TRP A 1 177 ? 10.887  17.124  14.156 1.00 15.89 ? 177 TRP A CE3 1 
ATOM   1411 C CZ2 . TRP A 1 177 ? 8.571   16.652  15.719 1.00 17.84 ? 177 TRP A CZ2 1 
ATOM   1412 C CZ3 . TRP A 1 177 ? 10.862  17.402  15.516 1.00 19.91 ? 177 TRP A CZ3 1 
ATOM   1413 C CH2 . TRP A 1 177 ? 9.712   17.163  16.282 1.00 19.84 ? 177 TRP A CH2 1 
ATOM   1414 N N   . GLY A 1 178 ? 10.392  15.163  7.522  1.00 14.46 ? 178 GLY A N   1 
ATOM   1415 C CA  . GLY A 1 178 ? 11.020  15.460  6.259  1.00 14.46 ? 178 GLY A CA  1 
ATOM   1416 C C   . GLY A 1 178 ? 12.496  15.161  6.316  1.00 14.46 ? 178 GLY A C   1 
ATOM   1417 O O   . GLY A 1 178 ? 13.086  14.990  7.381  1.00 14.55 ? 178 GLY A O   1 
ATOM   1418 N N   . THR A 1 179 ? 13.123  15.161  5.142  1.00 14.27 ? 179 THR A N   1 
ATOM   1419 C CA  . THR A 1 179 ? 14.533  14.813  5.079  1.00 14.27 ? 179 THR A CA  1 
ATOM   1420 C C   . THR A 1 179 ? 15.440  15.944  5.540  1.00 14.27 ? 179 THR A C   1 
ATOM   1421 O O   . THR A 1 179 ? 16.637  15.703  5.726  1.00 18.04 ? 179 THR A O   1 
ATOM   1422 C CB  . THR A 1 179 ? 14.940  14.343  3.671  1.00 19.57 ? 179 THR A CB  1 
ATOM   1423 O OG1 . THR A 1 179 ? 14.658  15.354  2.691  1.00 15.61 ? 179 THR A OG1 1 
ATOM   1424 C CG2 . THR A 1 179 ? 14.258  13.066  3.302  1.00 22.65 ? 179 THR A CG2 1 
ATOM   1425 N N   . GLY A 1 180 ? 14.915  17.154  5.764  1.00 14.46 ? 180 GLY A N   1 
ATOM   1426 C CA  . GLY A 1 180 ? 15.770  18.241  6.212  1.00 14.46 ? 180 GLY A CA  1 
ATOM   1427 C C   . GLY A 1 180 ? 16.028  18.384  7.712  1.00 33.58 ? 180 GLY A C   1 
ATOM   1428 O O   . GLY A 1 180 ? 16.887  19.181  8.101  1.00 31.43 ? 180 GLY A O   1 
ATOM   1429 N N   . TRP A 1 181 ? 15.340  17.624  8.558  1.00 22.23 ? 181 TRP A N   1 
ATOM   1430 C CA  . TRP A 1 181 ? 15.529  17.657  10.009 1.00 16.50 ? 181 TRP A CA  1 
ATOM   1431 C C   . TRP A 1 181 ? 16.551  16.614  10.453 1.00 16.50 ? 181 TRP A C   1 
ATOM   1432 O O   . TRP A 1 181 ? 16.562  15.493  9.941  1.00 16.50 ? 181 TRP A O   1 
ATOM   1433 C CB  . TRP A 1 181 ? 14.196  17.401  10.734 1.00 18.91 ? 181 TRP A CB  1 
ATOM   1434 C CG  . TRP A 1 181 ? 14.300  17.407  12.246 1.00 16.65 ? 181 TRP A CG  1 
ATOM   1435 C CD1 . TRP A 1 181 ? 14.230  18.490  13.078 1.00 16.50 ? 181 TRP A CD1 1 
ATOM   1436 C CD2 . TRP A 1 181 ? 14.479  16.266  13.096 1.00 16.50 ? 181 TRP A CD2 1 
ATOM   1437 N NE1 . TRP A 1 181 ? 14.375  18.099  14.384 1.00 22.62 ? 181 TRP A NE1 1 
ATOM   1438 C CE2 . TRP A 1 181 ? 14.533  16.739  14.426 1.00 16.56 ? 181 TRP A CE2 1 
ATOM   1439 C CE3 . TRP A 1 181 ? 14.620  14.893  12.862 1.00 16.50 ? 181 TRP A CE3 1 
ATOM   1440 C CZ2 . TRP A 1 181 ? 14.710  15.883  15.522 1.00 16.50 ? 181 TRP A CZ2 1 
ATOM   1441 C CZ3 . TRP A 1 181 ? 14.799  14.044  13.950 1.00 17.00 ? 181 TRP A CZ3 1 
ATOM   1442 C CH2 . TRP A 1 181 ? 14.837  14.544  15.264 1.00 16.50 ? 181 TRP A CH2 1 
ATOM   1443 N N   . GLY A 1 182 ? 17.431  16.999  11.382 1.00 15.60 ? 182 GLY A N   1 
ATOM   1444 C CA  . GLY A 1 182 ? 18.323  16.012  11.983 1.00 13.92 ? 182 GLY A CA  1 
ATOM   1445 C C   . GLY A 1 182 ? 19.316  15.434  10.991 1.00 13.92 ? 182 GLY A C   1 
ATOM   1446 O O   . GLY A 1 182 ? 19.845  16.134  10.121 1.00 16.35 ? 182 GLY A O   1 
ATOM   1447 N N   . GLU A 1 183 ? 19.600  14.138  11.140 1.00 16.26 ? 183 GLU A N   1 
ATOM   1448 C CA  . GLU A 1 183 ? 20.569  13.472  10.272 1.00 16.26 ? 183 GLU A CA  1 
ATOM   1449 C C   . GLU A 1 183 ? 19.816  12.866  9.098  1.00 16.26 ? 183 GLU A C   1 
ATOM   1450 O O   . GLU A 1 183 ? 19.475  11.683  9.070  1.00 16.26 ? 183 GLU A O   1 
ATOM   1451 C CB  . GLU A 1 183 ? 21.393  12.439  11.029 1.00 16.26 ? 183 GLU A CB  1 
ATOM   1452 C CG  . GLU A 1 183 ? 22.177  13.040  12.190 1.00 16.26 ? 183 GLU A CG  1 
ATOM   1453 C CD  . GLU A 1 183 ? 23.091  12.043  12.883 1.00 24.39 ? 183 GLU A CD  1 
ATOM   1454 O OE1 . GLU A 1 183 ? 22.731  10.848  12.996 1.00 23.67 ? 183 GLU A OE1 1 
ATOM   1455 O OE2 . GLU A 1 183 ? 24.182  12.467  13.318 1.00 20.86 ? 183 GLU A OE2 1 
ATOM   1456 N N   . ASN A 1 184 ? 19.526  13.745  8.128  1.00 17.60 ? 184 ASN A N   1 
ATOM   1457 C CA  . ASN A 1 184 ? 18.749  13.439  6.920  1.00 15.81 ? 184 ASN A CA  1 
ATOM   1458 C C   . ASN A 1 184 ? 17.398  12.831  7.289  1.00 15.81 ? 184 ASN A C   1 
ATOM   1459 O O   . ASN A 1 184 ? 16.881  11.940  6.608  1.00 17.13 ? 184 ASN A O   1 
ATOM   1460 C CB  . ASN A 1 184 ? 19.534  12.494  5.996  1.00 15.81 ? 184 ASN A CB  1 
ATOM   1461 C CG  . ASN A 1 184 ? 20.785  13.132  5.443  1.00 32.69 ? 184 ASN A CG  1 
ATOM   1462 O OD1 . ASN A 1 184 ? 20.930  14.352  5.448  1.00 39.73 ? 184 ASN A OD1 1 
ATOM   1463 N ND2 . ASN A 1 184 ? 21.705  12.306  4.970  1.00 69.28 ? 184 ASN A ND2 1 
ATOM   1464 N N   . GLY A 1 185 ? 16.824  13.315  8.388  1.00 15.55 ? 185 GLY A N   1 
ATOM   1465 C CA  . GLY A 1 185 ? 15.523  12.878  8.839  1.00 15.55 ? 185 GLY A CA  1 
ATOM   1466 C C   . GLY A 1 185 ? 15.591  11.913  10.000 1.00 15.55 ? 185 GLY A C   1 
ATOM   1467 O O   . GLY A 1 185 ? 14.540  11.520  10.527 1.00 15.55 ? 185 GLY A O   1 
ATOM   1468 N N   . TYR A 1 186 ? 16.793  11.506  10.396 1.00 17.37 ? 186 TYR A N   1 
ATOM   1469 C CA  . TYR A 1 186 ? 16.992  10.557  11.476 1.00 17.37 ? 186 TYR A CA  1 
ATOM   1470 C C   . TYR A 1 186 ? 17.568  11.290  12.674 1.00 17.37 ? 186 TYR A C   1 
ATOM   1471 O O   . TYR A 1 186 ? 18.153  12.374  12.555 1.00 17.37 ? 186 TYR A O   1 
ATOM   1472 C CB  . TYR A 1 186 ? 17.924  9.404   11.071 1.00 17.37 ? 186 TYR A CB  1 
ATOM   1473 C CG  . TYR A 1 186 ? 17.319  8.459   10.060 1.00 17.37 ? 186 TYR A CG  1 
ATOM   1474 C CD1 . TYR A 1 186 ? 17.330  8.757   8.702  1.00 17.37 ? 186 TYR A CD1 1 
ATOM   1475 C CD2 . TYR A 1 186 ? 16.685  7.289   10.470 1.00 17.37 ? 186 TYR A CD2 1 
ATOM   1476 C CE1 . TYR A 1 186 ? 16.758  7.895   7.784  1.00 17.37 ? 186 TYR A CE1 1 
ATOM   1477 C CE2 . TYR A 1 186 ? 16.105  6.430   9.554  1.00 22.71 ? 186 TYR A CE2 1 
ATOM   1478 C CZ  . TYR A 1 186 ? 16.137  6.744   8.218  1.00 25.64 ? 186 TYR A CZ  1 
ATOM   1479 O OH  . TYR A 1 186 ? 15.560  5.896   7.310  1.00 22.23 ? 186 TYR A OH  1 
ATOM   1480 N N   . ILE A 1 187 ? 17.424  10.667  13.826 1.00 13.73 ? 187 ILE A N   1 
ATOM   1481 C CA  . ILE A 1 187 ? 18.089  11.114  15.036 1.00 13.73 ? 187 ILE A CA  1 
ATOM   1482 C C   . ILE A 1 187 ? 18.680  9.896   15.724 1.00 13.73 ? 187 ILE A C   1 
ATOM   1483 O O   . ILE A 1 187 ? 18.074  8.823   15.730 1.00 13.73 ? 187 ILE A O   1 
ATOM   1484 C CB  . ILE A 1 187 ? 17.090  11.882  15.948 1.00 13.73 ? 187 ILE A CB  1 
ATOM   1485 C CG1 . ILE A 1 187 ? 17.746  12.362  17.252 1.00 13.73 ? 187 ILE A CG1 1 
ATOM   1486 C CG2 . ILE A 1 187 ? 15.798  11.091  16.182 1.00 13.73 ? 187 ILE A CG2 1 
ATOM   1487 C CD1 . ILE A 1 187 ? 16.918  13.376  17.996 1.00 13.73 ? 187 ILE A CD1 1 
ATOM   1488 N N   . ARG A 1 188 ? 19.885  10.029  16.249 1.00 12.46 ? 188 ARG A N   1 
ATOM   1489 C CA  . ARG A 1 188 ? 20.446  8.998   17.108 1.00 12.46 ? 188 ARG A CA  1 
ATOM   1490 C C   . ARG A 1 188 ? 20.305  9.472   18.546 1.00 12.46 ? 188 ARG A C   1 
ATOM   1491 O O   . ARG A 1 188 ? 20.856  10.523  18.901 1.00 12.46 ? 188 ARG A O   1 
ATOM   1492 C CB  . ARG A 1 188 ? 21.896  8.729   16.754 1.00 12.54 ? 188 ARG A CB  1 
ATOM   1493 C CG  . ARG A 1 188 ? 22.034  8.025   15.434 1.00 12.46 ? 188 ARG A CG  1 
ATOM   1494 C CD  . ARG A 1 188 ? 23.492  7.867   15.106 1.00 12.46 ? 188 ARG A CD  1 
ATOM   1495 N NE  . ARG A 1 188 ? 24.163  9.135   14.874 1.00 25.43 ? 188 ARG A NE  1 
ATOM   1496 C CZ  . ARG A 1 188 ? 25.400  9.371   15.275 1.00 53.04 ? 188 ARG A CZ  1 
ATOM   1497 N NH1 . ARG A 1 188 ? 26.118  8.432   15.866 1.00 42.67 ? 188 ARG A NH1 1 
ATOM   1498 N NH2 . ARG A 1 188 ? 25.931  10.572  15.075 1.00 17.36 ? 188 ARG A NH2 1 
ATOM   1499 N N   . ILE A 1 189 ? 19.585  8.712   19.375 1.00 11.62 ? 189 ILE A N   1 
ATOM   1500 C CA  . ILE A 1 189 ? 19.272  9.135   20.737 1.00 11.62 ? 189 ILE A CA  1 
ATOM   1501 C C   . ILE A 1 189 ? 20.088  8.310   21.721 1.00 11.62 ? 189 ILE A C   1 
ATOM   1502 O O   . ILE A 1 189 ? 20.069  7.080   21.666 1.00 11.62 ? 189 ILE A O   1 
ATOM   1503 C CB  . ILE A 1 189 ? 17.772  8.989   21.037 1.00 11.62 ? 189 ILE A CB  1 
ATOM   1504 C CG1 . ILE A 1 189 ? 16.955  9.870   20.101 1.00 20.62 ? 189 ILE A CG1 1 
ATOM   1505 C CG2 . ILE A 1 189 ? 17.483  9.409   22.467 1.00 15.13 ? 189 ILE A CG2 1 
ATOM   1506 C CD1 . ILE A 1 189 ? 15.493  9.954   20.470 1.00 35.01 ? 189 ILE A CD1 1 
ATOM   1507 N N   . LYS A 1 190 ? 20.750  8.990   22.650 1.00 16.25 ? 190 LYS A N   1 
ATOM   1508 C CA  . LYS A 1 190 ? 21.618  8.356   23.636 1.00 16.25 ? 190 LYS A CA  1 
ATOM   1509 C C   . LYS A 1 190 ? 20.859  7.251   24.370 1.00 16.25 ? 190 LYS A C   1 
ATOM   1510 O O   . LYS A 1 190 ? 19.688  7.412   24.731 1.00 16.84 ? 190 LYS A O   1 
ATOM   1511 C CB  . LYS A 1 190 ? 22.057  9.456   24.623 1.00 16.25 ? 190 LYS A CB  1 
ATOM   1512 C CG  . LYS A 1 190 ? 22.971  9.179   25.839 1.00 28.45 ? 190 LYS A CG  1 
ATOM   1513 C CD  . LYS A 1 190 ? 24.390  8.853   25.459 1.00 36.73 ? 190 LYS A CD  1 
ATOM   1514 C CE  . LYS A 1 190 ? 25.288  8.945   26.687 1.00 69.52 ? 190 LYS A CE  1 
ATOM   1515 N NZ  . LYS A 1 190 ? 26.425  7.997   26.652 1.00 39.76 ? 190 LYS A NZ  1 
ATOM   1516 N N   . ARG A 1 191 ? 21.528  6.126   24.614 1.00 22.20 ? 191 ARG A N   1 
ATOM   1517 C CA  . ARG A 1 191 ? 20.974  5.078   25.465 1.00 22.20 ? 191 ARG A CA  1 
ATOM   1518 C C   . ARG A 1 191 ? 22.003  4.746   26.537 1.00 22.20 ? 191 ARG A C   1 
ATOM   1519 O O   . ARG A 1 191 ? 23.129  5.252   26.522 1.00 23.04 ? 191 ARG A O   1 
ATOM   1520 C CB  . ARG A 1 191 ? 20.609  3.821   24.641 1.00 22.20 ? 191 ARG A CB  1 
ATOM   1521 C CG  . ARG A 1 191 ? 21.795  2.964   24.195 1.00 22.20 ? 191 ARG A CG  1 
ATOM   1522 C CD  . ARG A 1 191 ? 21.317  1.715   23.458 1.00 22.20 ? 191 ARG A CD  1 
ATOM   1523 N NE  . ARG A 1 191 ? 22.383  0.770   23.129 1.00 22.95 ? 191 ARG A NE  1 
ATOM   1524 C CZ  . ARG A 1 191 ? 22.848  -0.158  23.956 1.00 22.20 ? 191 ARG A CZ  1 
ATOM   1525 N NH1 . ARG A 1 191 ? 22.412  -0.252  25.197 1.00 22.20 ? 191 ARG A NH1 1 
ATOM   1526 N NH2 . ARG A 1 191 ? 23.801  -0.985  23.536 1.00 22.20 ? 191 ARG A NH2 1 
ATOM   1527 N N   . GLY A 1 192 ? 21.613  3.914   27.498 1.00 28.63 ? 192 GLY A N   1 
ATOM   1528 C CA  . GLY A 1 192 ? 22.572  3.515   28.503 1.00 31.27 ? 192 GLY A CA  1 
ATOM   1529 C C   . GLY A 1 192 ? 22.759  4.528   29.602 1.00 37.43 ? 192 GLY A C   1 
ATOM   1530 O O   . GLY A 1 192 ? 23.778  4.487   30.299 1.00 43.91 ? 192 GLY A O   1 
ATOM   1531 N N   . THR A 1 193 ? 21.818  5.457   29.764 1.00 20.85 ? 193 THR A N   1 
ATOM   1532 C CA  . THR A 1 193 ? 21.948  6.478   30.794 1.00 37.25 ? 193 THR A CA  1 
ATOM   1533 C C   . THR A 1 193 ? 21.454  5.981   32.137 1.00 46.82 ? 193 THR A C   1 
ATOM   1534 O O   . THR A 1 193 ? 21.647  6.663   33.144 1.00 43.61 ? 193 THR A O   1 
ATOM   1535 C CB  . THR A 1 193 ? 21.185  7.755   30.411 1.00 24.21 ? 193 THR A CB  1 
ATOM   1536 O OG1 . THR A 1 193 ? 19.770  7.535   30.546 1.00 30.71 ? 193 THR A OG1 1 
ATOM   1537 C CG2 . THR A 1 193 ? 21.496  8.143   28.964 1.00 62.90 ? 193 THR A CG2 1 
ATOM   1538 N N   . GLY A 1 194 ? 20.796  4.831   32.168 1.00 36.97 ? 194 GLY A N   1 
ATOM   1539 C CA  . GLY A 1 194 ? 20.281  4.303   33.404 1.00 38.76 ? 194 GLY A CA  1 
ATOM   1540 C C   . GLY A 1 194 ? 18.958  4.884   33.827 1.00 26.05 ? 194 GLY A C   1 
ATOM   1541 O O   . GLY A 1 194 ? 18.435  4.489   34.877 1.00 43.06 ? 194 GLY A O   1 
ATOM   1542 N N   . ASN A 1 195 ? 18.400  5.799   33.040 1.00 28.69 ? 195 ASN A N   1 
ATOM   1543 C CA  . ASN A 1 195 ? 17.080  6.357   33.299 1.00 44.15 ? 195 ASN A CA  1 
ATOM   1544 C C   . ASN A 1 195 ? 16.070  5.383   32.695 1.00 35.76 ? 195 ASN A C   1 
ATOM   1545 O O   . ASN A 1 195 ? 16.025  5.198   31.474 1.00 32.23 ? 195 ASN A O   1 
ATOM   1546 C CB  . ASN A 1 195 ? 16.983  7.760   32.691 1.00 37.96 ? 195 ASN A CB  1 
ATOM   1547 C CG  . ASN A 1 195 ? 15.549  8.303   32.620 1.00 41.17 ? 195 ASN A CG  1 
ATOM   1548 O OD1 . ASN A 1 195 ? 15.300  9.305   31.950 1.00 47.86 ? 195 ASN A OD1 1 
ATOM   1549 N ND2 . ASN A 1 195 ? 14.635  7.716   33.395 1.00 50.82 ? 195 ASN A ND2 1 
ATOM   1550 N N   . SER A 1 196 ? 15.270  4.749   33.562 1.00 45.46 ? 196 SER A N   1 
ATOM   1551 C CA  . SER A 1 196 ? 14.344  3.706   33.128 1.00 38.44 ? 196 SER A CA  1 
ATOM   1552 C C   . SER A 1 196 ? 13.409  4.192   32.033 1.00 22.00 ? 196 SER A C   1 
ATOM   1553 O O   . SER A 1 196 ? 12.946  3.393   31.212 1.00 25.83 ? 196 SER A O   1 
ATOM   1554 C CB  . SER A 1 196 ? 13.528  3.208   34.326 1.00 33.81 ? 196 SER A CB  1 
ATOM   1555 O OG  . SER A 1 196 ? 13.188  1.839   34.192 1.00 67.16 ? 196 SER A OG  1 
ATOM   1556 N N   . TYR A 1 197 ? 13.085  5.486   32.033 1.00 32.18 ? 197 TYR A N   1 
ATOM   1557 C CA  . TYR A 1 197 ? 12.179  6.037   31.037 1.00 26.19 ? 197 TYR A CA  1 
ATOM   1558 C C   . TYR A 1 197 ? 12.822  6.069   29.660 1.00 25.41 ? 197 TYR A C   1 
ATOM   1559 O O   . TYR A 1 197 ? 12.103  6.057   28.654 1.00 29.51 ? 197 TYR A O   1 
ATOM   1560 C CB  . TYR A 1 197 ? 11.756  7.454   31.438 1.00 29.20 ? 197 TYR A CB  1 
ATOM   1561 C CG  . TYR A 1 197 ? 10.809  7.536   32.603 1.00 38.04 ? 197 TYR A CG  1 
ATOM   1562 C CD1 . TYR A 1 197 ? 9.453   7.310   32.438 1.00 54.17 ? 197 TYR A CD1 1 
ATOM   1563 C CD2 . TYR A 1 197 ? 11.278  7.837   33.883 1.00 47.01 ? 197 TYR A CD2 1 
ATOM   1564 C CE1 . TYR A 1 197 ? 8.578   7.384   33.519 1.00 78.21 ? 197 TYR A CE1 1 
ATOM   1565 C CE2 . TYR A 1 197 ? 10.413  7.915   34.967 1.00 82.80 ? 197 TYR A CE2 1 
ATOM   1566 C CZ  . TYR A 1 197 ? 9.064   7.685   34.778 1.00 80.40 ? 197 TYR A CZ  1 
ATOM   1567 O OH  . TYR A 1 197 ? 8.191   7.760   35.840 1.00 77.00 ? 197 TYR A OH  1 
ATOM   1568 N N   . GLY A 1 198 ? 14.156  6.088   29.591 1.00 25.01 ? 198 GLY A N   1 
ATOM   1569 C CA  . GLY A 1 198 ? 14.832  6.403   28.347 1.00 25.01 ? 198 GLY A CA  1 
ATOM   1570 C C   . GLY A 1 198 ? 14.948  7.901   28.150 1.00 25.01 ? 198 GLY A C   1 
ATOM   1571 O O   . GLY A 1 198 ? 14.130  8.667   28.673 1.00 25.01 ? 198 GLY A O   1 
ATOM   1572 N N   . VAL A 1 199 ? 15.960  8.333   27.394 1.00 18.42 ? 199 VAL A N   1 
ATOM   1573 C CA  . VAL A 1 199 ? 16.047  9.736   27.005 1.00 21.26 ? 199 VAL A CA  1 
ATOM   1574 C C   . VAL A 1 199 ? 14.783  10.126  26.249 1.00 18.42 ? 199 VAL A C   1 
ATOM   1575 O O   . VAL A 1 199 ? 14.329  9.407   25.350 1.00 18.42 ? 199 VAL A O   1 
ATOM   1576 C CB  . VAL A 1 199 ? 17.318  9.974   26.174 1.00 33.60 ? 199 VAL A CB  1 
ATOM   1577 C CG1 . VAL A 1 199 ? 17.354  11.395  25.631 1.00 25.86 ? 199 VAL A CG1 1 
ATOM   1578 C CG2 . VAL A 1 199 ? 18.561  9.647   26.984 1.00 35.91 ? 199 VAL A CG2 1 
ATOM   1579 N N   . CYS A 1 200 ? 14.180  11.248  26.650 1.00 22.76 ? 200 CYS A N   1 
ATOM   1580 C CA  . CYS A 1 200 ? 12.907  11.726  26.100 1.00 32.31 ? 200 CYS A CA  1 
ATOM   1581 C C   . CYS A 1 200 ? 11.799  10.693  26.235 1.00 25.65 ? 200 CYS A C   1 
ATOM   1582 O O   . CYS A 1 200 ? 10.855  10.690  25.443 1.00 22.76 ? 200 CYS A O   1 
ATOM   1583 C CB  . CYS A 1 200 ? 13.031  12.154  24.630 1.00 22.76 ? 200 CYS A CB  1 
ATOM   1584 S SG  . CYS A 1 200 ? 14.372  13.317  24.224 1.00 25.49 ? 200 CYS A SG  1 
ATOM   1585 N N   . GLY A 1 201 ? 11.870  9.835   27.253 1.00 22.33 ? 201 GLY A N   1 
ATOM   1586 C CA  . GLY A 1 201 ? 10.823  8.844   27.433 1.00 22.33 ? 201 GLY A CA  1 
ATOM   1587 C C   . GLY A 1 201 ? 10.799  7.757   26.388 1.00 23.68 ? 201 GLY A C   1 
ATOM   1588 O O   . GLY A 1 201 ? 9.753   7.132   26.186 1.00 22.33 ? 201 GLY A O   1 
ATOM   1589 N N   . LEU A 1 202 ? 11.933  7.504   25.721 1.00 18.89 ? 202 LEU A N   1 
ATOM   1590 C CA  . LEU A 1 202 ? 11.968  6.621   24.556 1.00 18.89 ? 202 LEU A CA  1 
ATOM   1591 C C   . LEU A 1 202 ? 11.470  5.202   24.849 1.00 18.89 ? 202 LEU A C   1 
ATOM   1592 O O   . LEU A 1 202 ? 11.078  4.498   23.913 1.00 18.89 ? 202 LEU A O   1 
ATOM   1593 C CB  . LEU A 1 202 ? 13.399  6.599   23.998 1.00 18.89 ? 202 LEU A CB  1 
ATOM   1594 C CG  . LEU A 1 202 ? 13.631  5.870   22.674 1.00 28.80 ? 202 LEU A CG  1 
ATOM   1595 C CD1 . LEU A 1 202 ? 12.749  6.486   21.602 1.00 22.08 ? 202 LEU A CD1 1 
ATOM   1596 C CD2 . LEU A 1 202 ? 15.095  5.925   22.251 1.00 24.68 ? 202 LEU A CD2 1 
ATOM   1597 N N   . TYR A 1 203 ? 11.435  4.777   26.113 1.00 21.73 ? 203 TYR A N   1 
ATOM   1598 C CA  . TYR A 1 203 ? 11.026  3.425   26.478 1.00 21.73 ? 203 TYR A CA  1 
ATOM   1599 C C   . TYR A 1 203 ? 9.589   3.356   26.984 1.00 21.73 ? 203 TYR A C   1 
ATOM   1600 O O   . TYR A 1 203 ? 9.197   2.350   27.588 1.00 22.07 ? 203 TYR A O   1 
ATOM   1601 C CB  . TYR A 1 203 ? 11.974  2.839   27.522 1.00 21.73 ? 203 TYR A CB  1 
ATOM   1602 C CG  . TYR A 1 203 ? 13.429  2.925   27.153 1.00 21.73 ? 203 TYR A CG  1 
ATOM   1603 C CD1 . TYR A 1 203 ? 13.824  2.942   25.820 1.00 21.73 ? 203 TYR A CD1 1 
ATOM   1604 C CD2 . TYR A 1 203 ? 14.408  3.011   28.135 1.00 23.99 ? 203 TYR A CD2 1 
ATOM   1605 C CE1 . TYR A 1 203 ? 15.147  3.012   25.482 1.00 23.61 ? 203 TYR A CE1 1 
ATOM   1606 C CE2 . TYR A 1 203 ? 15.731  3.096   27.810 1.00 21.73 ? 203 TYR A CE2 1 
ATOM   1607 C CZ  . TYR A 1 203 ? 16.104  3.094   26.484 1.00 22.06 ? 203 TYR A CZ  1 
ATOM   1608 O OH  . TYR A 1 203 ? 17.439  3.180   26.149 1.00 23.02 ? 203 TYR A OH  1 
ATOM   1609 N N   . THR A 1 204 ? 8.801   4.406   26.753 1.00 15.22 ? 204 THR A N   1 
ATOM   1610 C CA  . THR A 1 204 ? 7.467   4.497   27.342 1.00 16.36 ? 204 THR A CA  1 
ATOM   1611 C C   . THR A 1 204 ? 6.482   3.514   26.701 1.00 15.22 ? 204 THR A C   1 
ATOM   1612 O O   . THR A 1 204 ? 5.672   2.894   27.399 1.00 17.39 ? 204 THR A O   1 
ATOM   1613 C CB  . THR A 1 204 ? 6.974   5.929   27.211 1.00 20.39 ? 204 THR A CB  1 
ATOM   1614 O OG1 . THR A 1 204 ? 7.858   6.793   27.937 1.00 15.22 ? 204 THR A OG1 1 
ATOM   1615 C CG2 . THR A 1 204 ? 5.565   6.063   27.716 1.00 16.59 ? 204 THR A CG2 1 
ATOM   1616 N N   . SER A 1 205 ? 6.514   3.373   25.373 1.00 16.32 ? 205 SER A N   1 
ATOM   1617 C CA  . SER A 1 205 ? 5.437   2.661   24.683 1.00 16.32 ? 205 SER A CA  1 
ATOM   1618 C C   . SER A 1 205 ? 5.943   2.211   23.312 1.00 16.32 ? 205 SER A C   1 
ATOM   1619 O O   . SER A 1 205 ? 6.067   3.033   22.399 1.00 19.65 ? 205 SER A O   1 
ATOM   1620 C CB  . SER A 1 205 ? 4.185   3.520   24.568 1.00 16.32 ? 205 SER A CB  1 
ATOM   1621 O OG  . SER A 1 205 ? 3.116   2.788   23.989 1.00 26.02 ? 205 SER A OG  1 
ATOM   1622 N N   . SER A 1 206 ? 6.271   0.929   23.191 1.00 18.74 ? 206 SER A N   1 
ATOM   1623 C CA  . SER A 1 206 ? 6.906   0.428   21.983 1.00 18.74 ? 206 SER A CA  1 
ATOM   1624 C C   . SER A 1 206 ? 6.155   -0.791  21.482 1.00 18.74 ? 206 SER A C   1 
ATOM   1625 O O   . SER A 1 206 ? 5.869   -1.708  22.253 1.00 18.74 ? 206 SER A O   1 
ATOM   1626 C CB  . SER A 1 206 ? 8.373   0.076   22.216 1.00 21.44 ? 206 SER A CB  1 
ATOM   1627 O OG  . SER A 1 206 ? 9.053   1.170   22.804 1.00 22.30 ? 206 SER A OG  1 
ATOM   1628 N N   . PHE A 1 207 ? 5.863   -0.810  20.189 1.00 20.40 ? 207 PHE A N   1 
ATOM   1629 C CA  . PHE A 1 207 ? 5.060   -1.857  19.583 1.00 20.88 ? 207 PHE A CA  1 
ATOM   1630 C C   . PHE A 1 207 ? 5.715   -2.274  18.284 1.00 25.39 ? 207 PHE A C   1 
ATOM   1631 O O   . PHE A 1 207 ? 6.425   -1.494  17.643 1.00 19.91 ? 207 PHE A O   1 
ATOM   1632 C CB  . PHE A 1 207 ? 3.623   -1.408  19.292 1.00 19.91 ? 207 PHE A CB  1 
ATOM   1633 C CG  . PHE A 1 207 ? 2.811   -1.183  20.507 1.00 19.91 ? 207 PHE A CG  1 
ATOM   1634 C CD1 . PHE A 1 207 ? 2.816   0.048   21.141 1.00 22.84 ? 207 PHE A CD1 1 
ATOM   1635 C CD2 . PHE A 1 207 ? 2.026   -2.197  21.014 1.00 19.91 ? 207 PHE A CD2 1 
ATOM   1636 C CE1 . PHE A 1 207 ? 2.063   0.261   22.280 1.00 21.91 ? 207 PHE A CE1 1 
ATOM   1637 C CE2 . PHE A 1 207 ? 1.266   -2.001  22.150 1.00 19.91 ? 207 PHE A CE2 1 
ATOM   1638 C CZ  . PHE A 1 207 ? 1.288   -0.771  22.787 1.00 19.91 ? 207 PHE A CZ  1 
ATOM   1639 N N   . TYR A 1 208 ? 5.464   -3.509  17.892 1.00 23.77 ? 208 TYR A N   1 
ATOM   1640 C CA  . TYR A 1 208 ? 5.980   -3.927  16.611 1.00 22.73 ? 208 TYR A CA  1 
ATOM   1641 C C   . TYR A 1 208 ? 4.962   -4.878  16.014 1.00 21.15 ? 208 TYR A C   1 
ATOM   1642 O O   . TYR A 1 208 ? 4.244   -5.565  16.757 1.00 21.15 ? 208 TYR A O   1 
ATOM   1643 C CB  . TYR A 1 208 ? 7.351   -4.603  16.743 1.00 21.15 ? 208 TYR A CB  1 
ATOM   1644 C CG  . TYR A 1 208 ? 7.374   -5.773  17.697 1.00 21.15 ? 208 TYR A CG  1 
ATOM   1645 C CD1 . TYR A 1 208 ? 7.600   -5.601  19.063 1.00 21.15 ? 208 TYR A CD1 1 
ATOM   1646 C CD2 . TYR A 1 208 ? 7.210   -7.064  17.216 1.00 25.12 ? 208 TYR A CD2 1 
ATOM   1647 C CE1 . TYR A 1 208 ? 7.631   -6.698  19.920 1.00 23.24 ? 208 TYR A CE1 1 
ATOM   1648 C CE2 . TYR A 1 208 ? 7.243   -8.151  18.045 1.00 24.87 ? 208 TYR A CE2 1 
ATOM   1649 C CZ  . TYR A 1 208 ? 7.459   -7.977  19.391 1.00 26.09 ? 208 TYR A CZ  1 
ATOM   1650 O OH  . TYR A 1 208 ? 7.467   -9.094  20.203 1.00 25.87 ? 208 TYR A OH  1 
ATOM   1651 N N   . PRO A 1 209 ? 4.885   -4.957  14.690 1.00 20.57 ? 209 PRO A N   1 
ATOM   1652 C CA  . PRO A 1 209 ? 3.974   -5.912  14.056 1.00 21.21 ? 209 PRO A CA  1 
ATOM   1653 C C   . PRO A 1 209 ? 4.544   -7.316  14.052 1.00 20.57 ? 209 PRO A C   1 
ATOM   1654 O O   . PRO A 1 209 ? 5.756   -7.533  14.080 1.00 24.06 ? 209 PRO A O   1 
ATOM   1655 C CB  . PRO A 1 209 ? 3.860   -5.376  12.628 1.00 20.57 ? 209 PRO A CB  1 
ATOM   1656 C CG  . PRO A 1 209 ? 5.237   -4.813  12.386 1.00 20.57 ? 209 PRO A CG  1 
ATOM   1657 C CD  . PRO A 1 209 ? 5.579   -4.127  13.690 1.00 20.57 ? 209 PRO A CD  1 
ATOM   1658 N N   . VAL A 1 210 ? 3.629   -8.272  14.053 1.00 23.96 ? 210 VAL A N   1 
ATOM   1659 C CA  . VAL A 1 210 ? 3.924   -9.692  13.962 1.00 23.96 ? 210 VAL A CA  1 
ATOM   1660 C C   . VAL A 1 210 ? 3.432   -10.217 12.624 1.00 25.13 ? 210 VAL A C   1 
ATOM   1661 O O   . VAL A 1 210 ? 2.273   -9.977  12.241 1.00 23.96 ? 210 VAL A O   1 
ATOM   1662 C CB  . VAL A 1 210 ? 3.248   -10.465 15.103 1.00 23.96 ? 210 VAL A CB  1 
ATOM   1663 C CG1 . VAL A 1 210 ? 3.291   -11.954 14.836 1.00 43.44 ? 210 VAL A CG1 1 
ATOM   1664 C CG2 . VAL A 1 210 ? 3.921   -10.144 16.389 1.00 29.80 ? 210 VAL A CG2 1 
ATOM   1665 N N   . LYS A 1 211 ? 4.280   -11.009 11.971 1.00 29.45 ? 211 LYS A N   1 
ATOM   1666 C CA  . LYS A 1 211 ? 4.001   -11.596 10.667 1.00 26.33 ? 211 LYS A CA  1 
ATOM   1667 C C   . LYS A 1 211 ? 4.590   -12.995 10.651 1.00 41.43 ? 211 LYS A C   1 
ATOM   1668 O O   . LYS A 1 211 ? 5.810   -13.159 10.730 1.00 36.03 ? 211 LYS A O   1 
ATOM   1669 C CB  . LYS A 1 211 ? 4.583   -10.781 9.520  1.00 27.96 ? 211 LYS A CB  1 
ATOM   1670 C CG  . LYS A 1 211 ? 3.526   -10.071 8.742  1.00 31.02 ? 211 LYS A CG  1 
ATOM   1671 C CD  . LYS A 1 211 ? 4.092   -9.403  7.518  1.00 31.19 ? 211 LYS A CD  1 
ATOM   1672 C CE  . LYS A 1 211 ? 4.173   -10.372 6.360  1.00 38.06 ? 211 LYS A CE  1 
ATOM   1673 N NZ  . LYS A 1 211 ? 2.936   -11.183 6.254  1.00 56.42 ? 211 LYS A NZ  1 
ATOM   1674 N N   . ASN A 1 212 ? 3.729   -13.992 10.503 1.00 35.01 ? 212 ASN A N   1 
ATOM   1675 C CA  . ASN A 1 212 ? 4.165   -15.372 10.468 1.00 37.13 ? 212 ASN A CA  1 
ATOM   1676 C C   . ASN A 1 212 ? 4.763   -15.652 9.098  0.58 40.05 ? 212 ASN A C   1 
ATOM   1677 O O   . ASN A 1 212 ? 5.636   -16.507 8.937  0.73 67.70 ? 212 ASN A O   1 
ATOM   1678 C CB  . ASN A 1 212 ? 2.991   -16.314 10.740 1.00 39.48 ? 212 ASN A CB  1 
ATOM   1679 C CG  . ASN A 1 212 ? 2.271   -15.988 12.036 1.00 77.40 ? 212 ASN A CG  1 
ATOM   1680 O OD1 . ASN A 1 212 ? 2.823   -15.336 12.928 1.00 54.09 ? 212 ASN A OD1 1 
ATOM   1681 N ND2 . ASN A 1 212 ? 1.026   -16.438 12.144 1.00 72.61 ? 212 ASN A ND2 1 
ATOM   1682 O OXT . ASN A 1 212 ? 4.377   -15.016 8.116  0.79 42.49 ? 212 ASN A OXT 1 
HETATM 1683 C C1  . E64 B 2 .   ? 2.570   14.273  16.380 0.75 32.73 ? 301 E64 A C1  1 
HETATM 1684 O O1  . E64 B 2 .   ? 3.428   14.775  17.114 0.75 32.73 ? 301 E64 A O1  1 
HETATM 1685 O O2  . E64 B 2 .   ? 2.215   14.763  15.267 0.75 32.73 ? 301 E64 A O2  1 
HETATM 1686 C C2  . E64 B 2 .   ? 1.883   12.956  16.806 0.75 32.73 ? 301 E64 A C2  1 
HETATM 1687 C C3  . E64 B 2 .   ? 0.514   13.129  17.494 0.75 32.73 ? 301 E64 A C3  1 
HETATM 1688 O O3  . E64 B 2 .   ? 0.419   14.375  18.152 0.75 32.73 ? 301 E64 A O3  1 
HETATM 1689 C C4  . E64 B 2 .   ? 0.168   11.914  18.380 0.75 32.73 ? 301 E64 A C4  1 
HETATM 1690 O O4  . E64 B 2 .   ? -0.240  10.864  17.892 0.75 32.73 ? 301 E64 A O4  1 
HETATM 1691 N N1  . E64 B 2 .   ? 0.341   12.049  19.702 0.75 32.73 ? 301 E64 A N1  1 
HETATM 1692 C C6  . E64 B 2 .   ? 0.048   10.949  20.604 0.75 32.73 ? 301 E64 A C6  1 
HETATM 1693 C C7  . E64 B 2 .   ? 1.148   10.771  21.629 0.75 32.73 ? 301 E64 A C7  1 
HETATM 1694 C C8  . E64 B 2 .   ? 2.215   9.788   21.172 0.75 32.73 ? 301 E64 A C8  1 
HETATM 1695 C C9  . E64 B 2 .   ? 2.893   9.265   22.435 0.75 32.73 ? 301 E64 A C9  1 
HETATM 1696 C C10 . E64 B 2 .   ? 1.628   8.659   20.320 0.75 32.73 ? 301 E64 A C10 1 
HETATM 1697 C C11 . E64 B 2 .   ? -1.254  11.234  21.340 0.75 32.73 ? 301 E64 A C11 1 
HETATM 1698 O O5  . E64 B 2 .   ? -1.512  12.373  21.704 0.75 32.73 ? 301 E64 A O5  1 
HETATM 1699 N N2  . E64 B 2 .   ? -2.042  10.172  21.540 0.75 32.73 ? 301 E64 A N2  1 
HETATM 1700 C C12 . E64 B 2 .   ? -3.314  10.255  22.217 0.75 32.73 ? 301 E64 A C12 1 
HETATM 1701 C C13 . E64 B 2 .   ? -4.467  10.557  21.265 0.75 32.73 ? 301 E64 A C13 1 
HETATM 1702 C C14 . E64 B 2 .   ? -4.443  11.949  20.637 0.75 32.73 ? 301 E64 A C14 1 
HETATM 1703 C C15 . E64 B 2 .   ? -4.870  13.047  21.614 0.75 32.73 ? 301 E64 A C15 1 
HETATM 1704 N N3  . E64 B 2 .   ? -6.252  12.897  22.047 0.75 32.73 ? 301 E64 A N3  1 
HETATM 1705 C C16 . E64 B 2 .   ? -7.322  13.145  21.286 0.75 32.73 ? 301 E64 A C16 1 
HETATM 1706 N N4  . E64 B 2 .   ? -8.548  12.971  21.749 0.75 32.73 ? 301 E64 A N4  1 
HETATM 1707 N N5  . E64 B 2 .   ? -7.165  13.572  20.023 0.75 32.73 ? 301 E64 A N5  1 
HETATM 1708 O O   . HOH C 3 .   ? 28.065  8.859   28.227 1.00 11.95 ? 401 HOH A O   1 
HETATM 1709 O O   . HOH C 3 .   ? 0.370   -5.383  12.616 1.00 19.37 ? 402 HOH A O   1 
HETATM 1710 O O   . HOH C 3 .   ? 6.234   -8.770  23.489 1.00 8.05  ? 403 HOH A O   1 
HETATM 1711 O O   . HOH C 3 .   ? 24.656  4.162   32.824 1.00 13.44 ? 404 HOH A O   1 
HETATM 1712 O O   . HOH C 3 .   ? 11.445  16.574  3.323  1.00 12.46 ? 405 HOH A O   1 
HETATM 1713 O O   . HOH C 3 .   ? 7.871   5.666   6.516  1.00 13.45 ? 406 HOH A O   1 
HETATM 1714 O O   . HOH C 3 .   ? 6.891   -10.676 13.530 1.00 21.75 ? 407 HOH A O   1 
HETATM 1715 O O   . HOH C 3 .   ? -11.940 8.182   17.874 1.00 18.44 ? 408 HOH A O   1 
HETATM 1716 O O   . HOH C 3 .   ? -2.793  -8.435  -2.466 1.00 8.44  ? 409 HOH A O   1 
HETATM 1717 O O   . HOH C 3 .   ? 1.434   -19.612 9.644  1.00 6.20  ? 410 HOH A O   1 
# 
