data_9NAE
# 
_entry.id   9NAE 
# 
_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   9NAE         pdb_00009nae 10.2210/pdb9nae/pdb 
WWPDB D_1000292879 ?            ?                   
# 
_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                        9NAE 
_pdbx_database_status.recvd_initial_deposition_date   2025-02-11 
_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 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        'same protein complexed with different ligand' 
_pdbx_database_related.db_id          9N9D 
_pdbx_database_related.content_type   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    22 ?        ? ? ? 
# 
_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 3   HOH HOH A . 
C 3 HOH 2  402 4   HOH HOH A . 
C 3 HOH 3  403 10  HOH HOH A . 
C 3 HOH 4  404 11  HOH HOH A . 
C 3 HOH 5  405 1   HOH HOH A . 
C 3 HOH 6  406 23  HOH HOH A . 
C 3 HOH 7  407 2   HOH HOH A . 
C 3 HOH 8  408 15  HOH HOH A . 
C 3 HOH 9  409 22  HOH HOH A . 
C 3 HOH 10 410 12  HOH HOH A . 
C 3 HOH 11 411 8   HOH HOH A . 
C 3 HOH 12 412 16  HOH HOH A . 
C 3 HOH 13 413 18  HOH HOH A . 
C 3 HOH 14 414 17  HOH HOH A . 
C 3 HOH 15 415 20  HOH HOH A . 
C 3 HOH 16 416 19  HOH HOH A . 
C 3 HOH 17 417 13  HOH HOH A . 
C 3 HOH 18 418 21  HOH HOH A . 
C 3 HOH 19 419 6   HOH HOH A . 
C 3 HOH 20 420 14  HOH HOH A . 
C 3 HOH 21 421 9   HOH HOH A . 
C 3 HOH 22 422 7   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 LYS 139 ? CD ? A LYS 139 CD 
2 1 Y 1 A LYS 139 ? CE ? A LYS 139 CE 
3 1 Y 1 A LYS 139 ? NZ ? A LYS 139 NZ 
# 
loop_
_software.classification 
_software.name 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
refinement       PHENIX 1.20.1_4487 ? 1 
'data scaling'   XSCALE .           ? 2 
'data reduction' XDS    .           ? 3 
phasing          PHASER .           ? 4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9NAE 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     42.180 
_cell.length_a_esd                 ? 
_cell.length_b                     49.250 
_cell.length_b_esd                 ? 
_cell.length_c                     100.690 
_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                         9NAE 
_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                   9NAE 
_exptl.crystals_number            ? 
_exptl.details                    ? 
_exptl.method                     'ELECTRON CRYSTALLOGRAPHY' 
_exptl.method_details             ? 
# 
_reflns.B_iso_Wilson_estimate                          28.26 
_reflns.entry_id                                       9NAE 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              ? 
_reflns.d_resolution_low                               ? 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     ? 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           ? 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                ? 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          ? 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_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                                 9NAE 
_refine.pdbx_refine_id                           'ELECTRON CRYSTALLOGRAPHY' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.30 
_refine.ls_d_res_low                             50.34 
_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                     8983 
_refine.ls_number_reflns_R_free                  901 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    91.46 
_refine.ls_percent_reflns_R_free                 10.03 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2085 
_refine.ls_R_factor_R_free                       0.2570 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2031 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 26.25 
_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                            0.35 
_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 ? 1720 ? f_bond_d           ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 0.959 ? 2335 ? f_angle_d          ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 7.152 ? 250  ? f_dihedral_angle_d ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 0.065 ? 235  ? f_chiral_restr     ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 0.008 ? 307  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'ELECTRON CRYSTALLOGRAPHY' 2.30 2.44  . . 147 1326 92.00 . . . . 0.2730 . . . . . . . . . . . 0.3495 
'ELECTRON CRYSTALLOGRAPHY' 2.44 2.63  . . 148 1330 92.00 . . . . 0.2736 . . . . . . . . . . . 0.3128 
'ELECTRON CRYSTALLOGRAPHY' 2.63 2.90  . . 151 1349 93.00 . . . . 0.2475 . . . . . . . . . . . 0.3194 
'ELECTRON CRYSTALLOGRAPHY' 2.90 3.32  . . 149 1337 92.00 . . . . 0.2146 . . . . . . . . . . . 0.2842 
'ELECTRON CRYSTALLOGRAPHY' 3.32 4.18  . . 151 1358 92.00 . . . . 0.1661 . . . . . . . . . . . 0.2192 
'ELECTRON CRYSTALLOGRAPHY' 4.18 50.34 . . 155 1382 88.00 . . . . 0.1680 . . . . . . . . . . . 0.2017 
# 
_struct.entry_id                     9NAE 
_struct.title                        'MicroED structure of papain co-crystallized with E-64' 
_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        9NAE 
_struct_keywords.text            'Inhibitor, Complex, MicroED, Protease, HYDROLASE' 
_struct_keywords.pdbx_keywords   HYDROLASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    PAPA1_CARPA 
_struct_ref.pdbx_db_accession          P00784 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;IPEYVDWRQKGAVTPVKNQGSCGSCWAFSAVVTIEGIIKIRTGNLNEYSEQELLDCDRRSYGCNGGYPWSALQLVAQYGI
HYRNTYPYEGVQRYCRSREKGPYAAKTDGVRQVQPYNEGALLYSIANQPVSVVLEAAGKDFQLYRGGIFVGPCGNKVDHA
VAAVGYGPNYILIKNSWGTGWGENGYIRIKRGTGNSYGVCGLYTSSFYPVKN
;
_struct_ref.pdbx_align_begin           134 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9NAE 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 212 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00784 
_struct_ref_seq.db_align_beg                  134 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  345 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       212 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 SER A 24  ? GLY A 43  ? SER A 24  GLY A 43  1 ? 20 
HELX_P HELX_P2 AA2 SER A 49  ? ASP A 57  ? SER A 49  ASP A 57  1 ? 9  
HELX_P HELX_P3 AA3 TYR A 61  ? GLY A 65  ? TYR A 61  GLY A 65  5 ? 5  
HELX_P HELX_P4 AA4 TYR A 67  ? TYR A 78  ? TYR A 67  TYR A 78  1 ? 12 
HELX_P HELX_P5 AA5 SER A 97  ? GLY A 101 ? SER A 97  GLY A 101 5 ? 5  
HELX_P HELX_P6 AA6 ASN A 117 ? GLN A 128 ? ASN A 117 GLN A 128 1 ? 12 
HELX_P HELX_P7 AA7 GLY A 138 ? LEU A 143 ? GLY A 138 LEU A 143 1 ? 6  
HELX_P HELX_P8 AA8 GLY A 198 ? LEU A 202 ? GLY A 198 LEU A 202 5 ? 5  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ?    ? A CYS 22  SG ? ? ? 1_555 A CYS 63  SG ? ? A CYS 22  A CYS 63  1_555 ? ? ? ? ? ? ? 2.034 ? ? 
disulf2 disulf ?    ? A CYS 56  SG ? ? ? 1_555 A CYS 95  SG ? ? A CYS 56  A CYS 95  1_555 ? ? ? ? ? ? ? 2.047 ? ? 
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 ? ? ? ? ? ? ? 1.801 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
covale ? ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 E64 B .   ? CYS A 25  ? E64 A 301 ? 1_555 CYS A 25  ? 1_555 C2 SG CYS 1 E64 None 'Covalent chemical modification' 
2 CYS A 22  ? CYS A 63  ? CYS A 22  ? 1_555 CYS A 63  ? 1_555 SG SG .   . .   None 'Disulfide bridge'               
3 CYS A 56  ? CYS A 95  ? CYS A 56  ? 1_555 CYS A 95  ? 1_555 SG SG .   . .   None 'Disulfide bridge'               
4 CYS A 153 ? CYS A 200 ? CYS A 153 ? 1_555 CYS A 200 ? 1_555 SG SG .   . .   None 'Disulfide bridge'               
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          GLY 
_struct_mon_prot_cis.label_seq_id           151 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           GLY 
_struct_mon_prot_cis.auth_seq_id            151 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    152 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     152 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       3.37 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 3 ? 
AA2 ? 5 ? 
AA3 ? 2 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? parallel      
AA3 1 2 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 VAL A 5   ? ASP A 6   ? VAL A 5   ASP A 6   
AA1 2 HIS A 159 ? GLY A 167 ? HIS A 159 GLY A 167 
AA1 3 VAL A 130 ? LEU A 134 ? VAL A 130 LEU A 134 
AA2 1 VAL A 5   ? ASP A 6   ? VAL A 5   ASP A 6   
AA2 2 HIS A 159 ? GLY A 167 ? HIS A 159 GLY A 167 
AA2 3 TYR A 170 ? LYS A 174 ? TYR A 170 LYS A 174 
AA2 4 TYR A 186 ? LYS A 190 ? TYR A 186 LYS A 190 
AA2 5 ILE A 148 ? PHE A 149 ? ILE A 148 PHE A 149 
AA3 1 GLY A 109 ? GLN A 112 ? GLY A 109 GLN A 112 
AA3 2 PHE A 207 ? VAL A 210 ? PHE A 207 VAL A 210 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N VAL A 5   ? N VAL A 5   O TYR A 166 ? O TYR A 166 
AA1 2 3 O ALA A 163 ? O ALA A 163 N VAL A 130 ? N VAL A 130 
AA2 1 2 N VAL A 5   ? N VAL A 5   O TYR A 166 ? O TYR A 166 
AA2 2 3 N GLY A 167 ? N GLY A 167 O TYR A 170 ? O TYR A 170 
AA2 3 4 N ILE A 173 ? N ILE A 173 O ILE A 187 ? O ILE A 187 
AA2 4 5 O ARG A 188 ? O ARG A 188 N PHE A 149 ? N PHE A 149 
AA3 1 2 N ARG A 111 ? N ARG A 111 O TYR A 208 ? O TYR A 208 
# 
_pdbx_entry_details.entry_id                   9NAE 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 TYR A 78  ? ? -108.75 -69.87 
2 1 ASP A 158 ? ? -152.55 7.71   
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z           
2 x+1/2,-y+1/2,-z 
3 -x,y+1/2,-z+1/2 
4 -x+1/2,-y,z+1/2 
# 
_em_3d_fitting.id                1 
_em_3d_fitting.entry_id          9NAE 
_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                    9NAE 
_em_3d_reconstruction.id                          1 
_em_3d_reconstruction.method                      ? 
_em_3d_reconstruction.algorithm                   ? 
_em_3d_reconstruction.citation_id                 ? 
_em_3d_reconstruction.details                     ? 
_em_3d_reconstruction.resolution                  2.3 
_em_3d_reconstruction.resolution_method           'DIFFRACTION PATTERN/LAYERLINES' 
_em_3d_reconstruction.magnification_calibration   ? 
_em_3d_reconstruction.nominal_pixel_size          ? 
_em_3d_reconstruction.actual_pixel_size           ? 
_em_3d_reconstruction.num_particles               ? 
_em_3d_reconstruction.euler_angles_details        ? 
_em_3d_reconstruction.num_class_averages          ? 
_em_3d_reconstruction.refinement_type             ? 
_em_3d_reconstruction.image_processing_id         1 
_em_3d_reconstruction.symmetry_type               '3D CRYSTAL' 
# 
_em_buffer.id            1 
_em_buffer.specimen_id   1 
_em_buffer.name          ? 
_em_buffer.details       ? 
_em_buffer.pH            7 
# 
_em_entity_assembly.id                   1 
_em_entity_assembly.parent_id            0 
_em_entity_assembly.source               NATURAL 
_em_entity_assembly.type                 COMPLEX 
_em_entity_assembly.name                 'Papain-E-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                        9NAE 
_em_imaging.id                              1 
_em_imaging.astigmatism                     ? 
_em_imaging.electron_beam_tilt_params       ? 
_em_imaging.residual_tilt                   ? 
_em_imaging.microscope_model                'TFS TALOS F200C' 
_em_imaging.specimen_holder_type            ? 
_em_imaging.specimen_holder_model           'GATAN 626 SINGLE TILT LIQUID NITROGEN CRYO TRANSFER HOLDER' 
_em_imaging.details                         ? 
_em_imaging.date                            ? 
_em_imaging.accelerating_voltage            200 
_em_imaging.illumination_mode               'FLOOD BEAM' 
_em_imaging.mode                            DIFFRACTION 
_em_imaging.nominal_cs                      ? 
_em_imaging.nominal_defocus_min             10000 
_em_imaging.nominal_defocus_max             10000 
_em_imaging.calibrated_defocus_min          ? 
_em_imaging.calibrated_defocus_max          ? 
_em_imaging.tilt_angle_min                  ? 
_em_imaging.tilt_angle_max                  ? 
_em_imaging.nominal_magnification           ? 
_em_imaging.calibrated_magnification        ? 
_em_imaging.electron_source                 'FIELD EMISSION GUN' 
_em_imaging.citation_id                     ? 
_em_imaging.temperature                     ? 
_em_imaging.detector_distance               ? 
_em_imaging.recording_temperature_minimum   100 
_em_imaging.recording_temperature_maximum   100 
_em_imaging.alignment_procedure             ? 
_em_imaging.c2_aperture_diameter            70 
_em_imaging.specimen_id                     1 
_em_imaging.cryogen                         NITROGEN 
# 
_em_vitrification.entry_id              9NAE 
_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                9NAE 
_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              42.18 
_em_3d_crystal_entity.length_b              49.25 
_em_3d_crystal_entity.length_c              100.69 
_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    92.6 
_em_diffraction_shell.high_resolution           2.3 
_em_diffraction_shell.id                        1 
_em_diffraction_shell.low_resolution            2.4 
_em_diffraction_shell.multiplicity              3.5 
_em_diffraction_shell.num_structure_factors     1062 
_em_diffraction_shell.phase_residual            31.4 
# 
_em_diffraction_stats.details                          ? 
_em_diffraction_stats.fourier_space_coverage           91.4 
_em_diffraction_stats.high_resolution                  2.3 
_em_diffraction_stats.id                               1 
_em_diffraction_stats.image_processing_id              1 
_em_diffraction_stats.num_intensities_measured         30059 
_em_diffraction_stats.num_structure_factors            9018 
_em_diffraction_stats.overall_phase_error              ? 
_em_diffraction_stats.overall_phase_residual           ? 
_em_diffraction_stats.phase_error_rejection_criteria   NULL 
_em_diffraction_stats.r_merge                          24.9 
_em_diffraction_stats.r_sym                            ? 
# 
_em_entity_assembly_molwt.entity_assembly_id   1 
_em_entity_assembly_molwt.experimental_flag    NO 
_em_entity_assembly_molwt.id                   1 
_em_entity_assembly_molwt.units                ? 
_em_entity_assembly_molwt.value                ? 
# 
_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               1.5 
_em_image_recording.avg_electron_dose_per_subtomogram   ? 
_em_image_recording.avg_electron_dose_per_image         0.045 
_em_image_recording.details                             ? 
_em_image_recording.detector_mode                       ? 
_em_image_recording.film_or_detector_model              'DIRECT ELECTRON APOLLO (4k x 4k)' 
_em_image_recording.id                                  1 
_em_image_recording.imaging_id                          1 
_em_image_recording.num_diffraction_images              ? 
_em_image_recording.num_grids_imaged                    ? 
_em_image_recording.num_real_images                     ? 
# 
loop_
_em_software.category 
_em_software.details 
_em_software.id 
_em_software.image_processing_id 
_em_software.fitting_id 
_em_software.imaging_id 
_em_software.name 
_em_software.version 
'IMAGE ACQUISITION'             ? 1  ? ? 1 ? ? 
MASKING                         ? 2  ? ? ? ? ? 
'CTF CORRECTION'                ? 3  1 ? ? ? ? 
'LAYERLINE INDEXING'            ? 4  ? ? ? ? ? 
'DIFFRACTION INDEXING'          ? 5  ? ? ? ? ? 
'MODEL FITTING'                 ? 6  ? 1 ? ? ? 
OTHER                           ? 7  ? ? ? ? ? 
'MOLECULAR REPLACEMENT'         ? 8  1 ? ? ? ? 
'LATTICE DISTORTION CORRECTION' ? 9  1 ? ? ? ? 
'SYMMETRY DETERMINATION'        ? 10 1 ? ? ? ? 
'CRYSTALLOGRAPHY MERGING'       ? 11 1 ? ? ? ? 
RECONSTRUCTION                  ? 12 1 ? ? ? ? 
'MODEL REFINEMENT'              ? 13 ? 1 ? ? ? 
# 
_em_specimen.concentration           ? 
_em_specimen.details                 ? 
_em_specimen.embedding_applied       NO 
_em_specimen.experiment_id           1 
_em_specimen.id                      1 
_em_specimen.shadowing_applied       NO 
_em_specimen.staining_applied        NO 
_em_specimen.vitrification_applied   YES 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Howard Hughes Medical Institute (HHMI)'           'United States' HHMI-EPI          1 
'National Science Foundation (NSF, United States)' 'United States' DMR-1548924       2 
'Department of Energy (DOE, United States)'        'United States' DE-FC02-02ER63421 3 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   9PAP 
# 
_space_group.name_H-M_alt     'P 21 21 21' 
_space_group.name_Hall        'P 2ac 2ab' 
_space_group.IT_number        19 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9NAE 
_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]   0.023708 
_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]   0.020305 
_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]   0.009931 
_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 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.pdbx_scat_Cromer_Mann_a5 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.pdbx_scat_Cromer_Mann_b5 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 0.08930 0.25630 0.75700 1.04870 0.35750 0.24650 1.71000 6.40940 18.61130 50.25230 0.0 
;5-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 0.10220 0.32190 0.79820 0.81970 0.17150 0.24510 1.74810 6.19250 17.38940 48.14310 0.0 
;5-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 0.09740 0.29210 0.69100 0.69900 0.20390 0.20670 1.38150 4.69430 12.71050 32.47260 0.0 
;5-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 0.24970 0.56280 1.38990 2.18650 0.77150 0.26810 1.67110 7.02670 19.53770 50.38880 0.0 
;5-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . ILE A 1 1   ? 22.400  -10.334 20.541 1.00 30.84 ? 1   ILE A N   1 
ATOM   2    C CA  . ILE A 1 1   ? 22.142  -9.332  19.517 1.00 21.54 ? 1   ILE A CA  1 
ATOM   3    C C   . ILE A 1 1   ? 23.432  -8.533  19.300 1.00 22.45 ? 1   ILE A C   1 
ATOM   4    O O   . ILE A 1 1   ? 24.255  -8.412  20.211 1.00 18.70 ? 1   ILE A O   1 
ATOM   5    C CB  . ILE A 1 1   ? 20.939  -8.457  19.903 1.00 20.63 ? 1   ILE A CB  1 
ATOM   6    C CG1 . ILE A 1 1   ? 21.244  -7.583  21.108 1.00 15.00 ? 1   ILE A CG1 1 
ATOM   7    C CG2 . ILE A 1 1   ? 19.756  -9.334  20.238 1.00 14.20 ? 1   ILE A CG2 1 
ATOM   8    C CD1 . ILE A 1 1   ? 20.043  -6.758  21.523 1.00 15.73 ? 1   ILE A CD1 1 
ATOM   9    N N   . PRO A 1 2   ? 23.617  -7.984  18.105 1.00 23.18 ? 2   PRO A N   1 
ATOM   10   C CA  . PRO A 1 2   ? 24.919  -7.406  17.755 1.00 23.33 ? 2   PRO A CA  1 
ATOM   11   C C   . PRO A 1 2   ? 25.097  -5.996  18.308 1.00 27.53 ? 2   PRO A C   1 
ATOM   12   O O   . PRO A 1 2   ? 24.177  -5.372  18.840 1.00 25.49 ? 2   PRO A O   1 
ATOM   13   C CB  . PRO A 1 2   ? 24.905  -7.406  16.221 1.00 20.84 ? 2   PRO A CB  1 
ATOM   14   C CG  . PRO A 1 2   ? 23.455  -7.290  15.866 1.00 25.51 ? 2   PRO A CG  1 
ATOM   15   C CD  . PRO A 1 2   ? 22.690  -8.015  16.956 1.00 22.03 ? 2   PRO A CD  1 
ATOM   16   N N   . GLU A 1 3   ? 26.335  -5.511  18.187 1.00 22.82 ? 3   GLU A N   1 
ATOM   17   C CA  . GLU A 1 3   ? 26.700  -4.228  18.772 1.00 19.29 ? 3   GLU A CA  1 
ATOM   18   C C   . GLU A 1 3   ? 26.040  -3.070  18.043 1.00 24.12 ? 3   GLU A C   1 
ATOM   19   O O   . GLU A 1 3   ? 25.717  -2.048  18.660 1.00 22.29 ? 3   GLU A O   1 
ATOM   20   C CB  . GLU A 1 3   ? 28.218  -4.068  18.750 1.00 25.37 ? 3   GLU A CB  1 
ATOM   21   C CG  . GLU A 1 3   ? 28.732  -2.935  19.606 1.00 47.20 ? 3   GLU A CG  1 
ATOM   22   C CD  . GLU A 1 3   ? 29.964  -3.318  20.411 1.00 53.80 ? 3   GLU A CD  1 
ATOM   23   O OE1 . GLU A 1 3   ? 29.845  -4.170  21.321 1.00 49.54 ? 3   GLU A OE1 1 
ATOM   24   O OE2 . GLU A 1 3   ? 31.049  -2.757  20.135 1.00 53.05 ? 3   GLU A OE2 1 
ATOM   25   N N   . TYR A 1 4   ? 25.841  -3.213  16.741 1.00 22.05 ? 4   TYR A N   1 
ATOM   26   C CA  . TYR A 1 4   ? 25.266  -2.181  15.898 1.00 19.35 ? 4   TYR A CA  1 
ATOM   27   C C   . TYR A 1 4   ? 24.115  -2.808  15.130 1.00 19.51 ? 4   TYR A C   1 
ATOM   28   O O   . TYR A 1 4   ? 24.216  -3.946  14.658 1.00 18.46 ? 4   TYR A O   1 
ATOM   29   C CB  . TYR A 1 4   ? 26.316  -1.616  14.917 1.00 14.90 ? 4   TYR A CB  1 
ATOM   30   C CG  . TYR A 1 4   ? 27.344  -0.709  15.553 1.00 20.82 ? 4   TYR A CG  1 
ATOM   31   C CD1 . TYR A 1 4   ? 27.117  0.652   15.689 1.00 21.11 ? 4   TYR A CD1 1 
ATOM   32   C CD2 . TYR A 1 4   ? 28.544  -1.226  16.043 1.00 32.97 ? 4   TYR A CD2 1 
ATOM   33   C CE1 . TYR A 1 4   ? 28.061  1.484   16.282 1.00 21.22 ? 4   TYR A CE1 1 
ATOM   34   C CE2 . TYR A 1 4   ? 29.489  -0.407  16.643 1.00 26.74 ? 4   TYR A CE2 1 
ATOM   35   C CZ  . TYR A 1 4   ? 29.241  0.944   16.755 1.00 24.29 ? 4   TYR A CZ  1 
ATOM   36   O OH  . TYR A 1 4   ? 30.170  1.763   17.346 1.00 30.64 ? 4   TYR A OH  1 
ATOM   37   N N   . VAL A 1 5   ? 23.018  -2.084  15.031 1.00 15.73 ? 5   VAL A N   1 
ATOM   38   C CA  . VAL A 1 5   ? 21.919  -2.449  14.158 1.00 15.59 ? 5   VAL A CA  1 
ATOM   39   C C   . VAL A 1 5   ? 21.553  -1.205  13.373 1.00 18.45 ? 5   VAL A C   1 
ATOM   40   O O   . VAL A 1 5   ? 21.573  -0.091  13.910 1.00 21.57 ? 5   VAL A O   1 
ATOM   41   C CB  . VAL A 1 5   ? 20.698  -3.002  14.916 1.00 20.07 ? 5   VAL A CB  1 
ATOM   42   C CG1 . VAL A 1 5   ? 19.500  -3.145  13.951 1.00 14.13 ? 5   VAL A CG1 1 
ATOM   43   C CG2 . VAL A 1 5   ? 21.032  -4.342  15.540 1.00 22.04 ? 5   VAL A CG2 1 
ATOM   44   N N   . ASP A 1 6   ? 21.288  -1.380  12.091 1.00 13.00 ? 6   ASP A N   1 
ATOM   45   C CA  . ASP A 1 6   ? 20.859  -0.257  11.278 1.00 20.42 ? 6   ASP A CA  1 
ATOM   46   C C   . ASP A 1 6   ? 20.024  -0.850  10.156 1.00 19.50 ? 6   ASP A C   1 
ATOM   47   O O   . ASP A 1 6   ? 20.570  -1.330  9.158  1.00 26.70 ? 6   ASP A O   1 
ATOM   48   C CB  . ASP A 1 6   ? 22.049  0.537   10.757 1.00 23.56 ? 6   ASP A CB  1 
ATOM   49   C CG  . ASP A 1 6   ? 21.632  1.798   10.039 1.00 22.91 ? 6   ASP A CG  1 
ATOM   50   O OD1 . ASP A 1 6   ? 20.443  1.902   9.659  1.00 19.59 ? 6   ASP A OD1 1 
ATOM   51   O OD2 . ASP A 1 6   ? 22.486  2.703   9.888  1.00 21.60 ? 6   ASP A OD2 1 
ATOM   52   N N   . TRP A 1 7   ? 18.710  -0.841  10.337 1.00 14.74 ? 7   TRP A N   1 
ATOM   53   C CA  . TRP A 1 7   ? 17.864  -1.461  9.335  1.00 15.23 ? 7   TRP A CA  1 
ATOM   54   C C   . TRP A 1 7   ? 17.957  -0.759  7.990  1.00 15.94 ? 7   TRP A C   1 
ATOM   55   O O   . TRP A 1 7   ? 17.529  -1.336  6.987  1.00 17.31 ? 7   TRP A O   1 
ATOM   56   C CB  . TRP A 1 7   ? 16.423  -1.533  9.840  1.00 16.25 ? 7   TRP A CB  1 
ATOM   57   C CG  . TRP A 1 7   ? 16.301  -2.667  10.800 1.00 18.00 ? 7   TRP A CG  1 
ATOM   58   C CD1 . TRP A 1 7   ? 16.138  -2.596  12.158 1.00 19.78 ? 7   TRP A CD1 1 
ATOM   59   C CD2 . TRP A 1 7   ? 16.420  -4.059  10.480 1.00 16.34 ? 7   TRP A CD2 1 
ATOM   60   N NE1 . TRP A 1 7   ? 16.110  -3.869  12.698 1.00 16.82 ? 7   TRP A NE1 1 
ATOM   61   C CE2 . TRP A 1 7   ? 16.292  -4.780  11.690 1.00 16.45 ? 7   TRP A CE2 1 
ATOM   62   C CE3 . TRP A 1 7   ? 16.608  -4.767  9.282  1.00 13.09 ? 7   TRP A CE3 1 
ATOM   63   C CZ2 . TRP A 1 7   ? 16.343  -6.170  11.733 1.00 13.14 ? 7   TRP A CZ2 1 
ATOM   64   C CZ3 . TRP A 1 7   ? 16.667  -6.139  9.330  1.00 12.36 ? 7   TRP A CZ3 1 
ATOM   65   C CH2 . TRP A 1 7   ? 16.536  -6.829  10.547 1.00 16.38 ? 7   TRP A CH2 1 
ATOM   66   N N   . ARG A 1 8   ? 18.485  0.470   7.939  1.00 19.16 ? 8   ARG A N   1 
ATOM   67   C CA  . ARG A 1 8   ? 18.705  1.095   6.640  1.00 19.57 ? 8   ARG A CA  1 
ATOM   68   C C   . ARG A 1 8   ? 19.713  0.316   5.808  1.00 21.79 ? 8   ARG A C   1 
ATOM   69   O O   . ARG A 1 8   ? 19.565  0.217   4.583  1.00 25.12 ? 8   ARG A O   1 
ATOM   70   C CB  . ARG A 1 8   ? 19.206  2.530   6.824  1.00 15.67 ? 8   ARG A CB  1 
ATOM   71   C CG  . ARG A 1 8   ? 18.257  3.426   7.583  1.00 18.53 ? 8   ARG A CG  1 
ATOM   72   C CD  . ARG A 1 8   ? 18.912  4.782   7.794  1.00 22.92 ? 8   ARG A CD  1 
ATOM   73   N NE  . ARG A 1 8   ? 20.080  4.743   8.663  1.00 16.59 ? 8   ARG A NE  1 
ATOM   74   C CZ  . ARG A 1 8   ? 20.754  5.823   9.034  1.00 27.94 ? 8   ARG A CZ  1 
ATOM   75   N NH1 . ARG A 1 8   ? 20.405  7.030   8.613  1.00 21.90 ? 8   ARG A NH1 1 
ATOM   76   N NH2 . ARG A 1 8   ? 21.797  5.692   9.856  1.00 23.98 ? 8   ARG A NH2 1 
ATOM   77   N N   . GLN A 1 9   ? 20.759  -0.220  6.443  1.00 24.21 ? 9   GLN A N   1 
ATOM   78   C CA  . GLN A 1 9   ? 21.725  -0.963  5.655  1.00 26.13 ? 9   GLN A CA  1 
ATOM   79   C C   . GLN A 1 9   ? 21.171  -2.303  5.207  1.00 19.95 ? 9   GLN A C   1 
ATOM   80   O O   . GLN A 1 9   ? 21.712  -2.903  4.269  1.00 31.01 ? 9   GLN A O   1 
ATOM   81   C CB  . GLN A 1 9   ? 23.059  -1.191  6.362  1.00 29.93 ? 9   GLN A CB  1 
ATOM   82   C CG  . GLN A 1 9   ? 23.836  0.054   6.680  1.00 31.07 ? 9   GLN A CG  1 
ATOM   83   C CD  . GLN A 1 9   ? 25.145  -0.307  7.346  1.00 52.08 ? 9   GLN A CD  1 
ATOM   84   O OE1 . GLN A 1 9   ? 25.199  -0.431  8.569  1.00 35.93 ? 9   GLN A OE1 1 
ATOM   85   N NE2 . GLN A 1 9   ? 26.200  -0.492  6.555  1.00 56.90 ? 9   GLN A NE2 1 
ATOM   86   N N   . LYS A 1 10  ? 20.112  -2.795  5.848  1.00 22.29 ? 10  LYS A N   1 
ATOM   87   C CA  . LYS A 1 10  ? 19.499  -4.040  5.419  1.00 20.82 ? 10  LYS A CA  1 
ATOM   88   C C   . LYS A 1 10  ? 18.335  -3.802  4.471  1.00 25.83 ? 10  LYS A C   1 
ATOM   89   O O   . LYS A 1 10  ? 17.549  -4.722  4.215  1.00 30.66 ? 10  LYS A O   1 
ATOM   90   C CB  . LYS A 1 10  ? 19.080  -4.873  6.629  1.00 24.98 ? 10  LYS A CB  1 
ATOM   91   C CG  . LYS A 1 10  ? 20.292  -5.405  7.416  1.00 33.20 ? 10  LYS A CG  1 
ATOM   92   C CD  . LYS A 1 10  ? 20.143  -6.887  7.807  1.00 40.29 ? 10  LYS A CD  1 
ATOM   93   C CE  . LYS A 1 10  ? 21.314  -7.388  8.673  1.00 41.75 ? 10  LYS A CE  1 
ATOM   94   N NZ  . LYS A 1 10  ? 22.660  -7.267  8.007  1.00 27.70 ? 10  LYS A NZ  1 
ATOM   95   N N   . GLY A 1 11  ? 18.228  -2.590  3.931  1.00 20.17 ? 11  GLY A N   1 
ATOM   96   C CA  . GLY A 1 11  ? 17.206  -2.280  2.950  1.00 21.21 ? 11  GLY A CA  1 
ATOM   97   C C   . GLY A 1 11  ? 15.793  -2.396  3.470  1.00 21.78 ? 11  GLY A C   1 
ATOM   98   O O   . GLY A 1 11  ? 14.883  -2.722  2.703  1.00 26.48 ? 11  GLY A O   1 
ATOM   99   N N   . ALA A 1 12  ? 15.574  -2.121  4.752  1.00 15.60 ? 12  ALA A N   1 
ATOM   100  C CA  . ALA A 1 12  ? 14.270  -2.325  5.363  1.00 16.71 ? 12  ALA A CA  1 
ATOM   101  C C   . ALA A 1 12  ? 13.616  -1.009  5.728  1.00 13.82 ? 12  ALA A C   1 
ATOM   102  O O   . ALA A 1 12  ? 12.601  -1.006  6.426  1.00 19.43 ? 12  ALA A O   1 
ATOM   103  C CB  . ALA A 1 12  ? 14.378  -3.216  6.607  1.00 16.10 ? 12  ALA A CB  1 
ATOM   104  N N   . VAL A 1 13  ? 14.168  0.110   5.274  1.00 16.21 ? 13  VAL A N   1 
ATOM   105  C CA  . VAL A 1 13  ? 13.670  1.428   5.636  1.00 16.94 ? 13  VAL A CA  1 
ATOM   106  C C   . VAL A 1 13  ? 13.492  2.243   4.368  1.00 20.05 ? 13  VAL A C   1 
ATOM   107  O O   . VAL A 1 13  ? 14.415  2.341   3.552  1.00 21.94 ? 13  VAL A O   1 
ATOM   108  C CB  . VAL A 1 13  ? 14.610  2.152   6.616  1.00 14.00 ? 13  VAL A CB  1 
ATOM   109  C CG1 . VAL A 1 13  ? 13.989  3.443   7.067  1.00 11.58 ? 13  VAL A CG1 1 
ATOM   110  C CG2 . VAL A 1 13  ? 14.921  1.269   7.818  1.00 15.55 ? 13  VAL A CG2 1 
ATOM   111  N N   . THR A 1 14  ? 12.302  2.795   4.186  1.00 17.59 ? 14  THR A N   1 
ATOM   112  C CA  . THR A 1 14  ? 12.013  3.640   3.037  1.00 19.83 ? 14  THR A CA  1 
ATOM   113  C C   . THR A 1 14  ? 12.477  5.073   3.297  1.00 17.77 ? 14  THR A C   1 
ATOM   114  O O   . THR A 1 14  ? 12.922  5.404   4.401  1.00 18.49 ? 14  THR A O   1 
ATOM   115  C CB  . THR A 1 14  ? 10.527  3.526   2.702  1.00 16.90 ? 14  THR A CB  1 
ATOM   116  O OG1 . THR A 1 14  ? 9.730   4.155   3.710  1.00 20.41 ? 14  THR A OG1 1 
ATOM   117  C CG2 . THR A 1 14  ? 10.158  2.084   2.552  1.00 19.92 ? 14  THR A CG2 1 
ATOM   118  N N   . PRO A 1 15  ? 12.437  5.942   2.280  1.00 16.13 ? 15  PRO A N   1 
ATOM   119  C CA  . PRO A 1 15  ? 12.869  7.333   2.485  1.00 13.13 ? 15  PRO A CA  1 
ATOM   120  C C   . PRO A 1 15  ? 12.099  8.026   3.611  1.00 14.62 ? 15  PRO A C   1 
ATOM   121  O O   . PRO A 1 15  ? 10.989  7.631   3.978  1.00 19.07 ? 15  PRO A O   1 
ATOM   122  C CB  . PRO A 1 15  ? 12.579  7.988   1.130  1.00 18.92 ? 15  PRO A CB  1 
ATOM   123  C CG  . PRO A 1 15  ? 12.742  6.865   0.148  1.00 15.00 ? 15  PRO A CG  1 
ATOM   124  C CD  . PRO A 1 15  ? 12.196  5.655   0.849  1.00 14.97 ? 15  PRO A CD  1 
ATOM   125  N N   . VAL A 1 16  ? 12.753  9.014   4.224  1.00 13.88 ? 16  VAL A N   1 
ATOM   126  C CA  . VAL A 1 16  ? 12.122  9.803   5.276  1.00 17.05 ? 16  VAL A CA  1 
ATOM   127  C C   . VAL A 1 16  ? 10.940  10.600  4.739  1.00 15.11 ? 16  VAL A C   1 
ATOM   128  O O   . VAL A 1 16  ? 11.022  11.218  3.670  1.00 18.38 ? 16  VAL A O   1 
ATOM   129  C CB  . VAL A 1 16  ? 13.160  10.740  5.915  1.00 15.68 ? 16  VAL A CB  1 
ATOM   130  C CG1 . VAL A 1 16  ? 12.462  11.852  6.700  1.00 15.86 ? 16  VAL A CG1 1 
ATOM   131  C CG2 . VAL A 1 16  ? 14.113  9.965   6.765  1.00 15.88 ? 16  VAL A CG2 1 
ATOM   132  N N   . LYS A 1 17  ? 9.845   10.632  5.503  1.00 16.72 ? 17  LYS A N   1 
ATOM   133  C CA  . LYS A 1 17  ? 8.637   11.342  5.104  1.00 21.62 ? 17  LYS A CA  1 
ATOM   134  C C   . LYS A 1 17  ? 8.481   12.595  5.947  1.00 18.12 ? 17  LYS A C   1 
ATOM   135  O O   . LYS A 1 17  ? 9.146   12.777  6.967  1.00 19.38 ? 17  LYS A O   1 
ATOM   136  C CB  . LYS A 1 17  ? 7.363   10.494  5.235  1.00 25.48 ? 17  LYS A CB  1 
ATOM   137  C CG  . LYS A 1 17  ? 7.267   9.116   4.567  1.00 28.02 ? 17  LYS A CG  1 
ATOM   138  C CD  . LYS A 1 17  ? 8.319   8.827   3.519  1.00 31.63 ? 17  LYS A CD  1 
ATOM   139  C CE  . LYS A 1 17  ? 8.001   7.551   2.729  1.00 33.33 ? 17  LYS A CE  1 
ATOM   140  N NZ  . LYS A 1 17  ? 8.858   7.449   1.512  1.00 36.02 ? 17  LYS A NZ  1 
ATOM   141  N N   . ASN A 1 18  ? 7.571   13.460  5.515  1.00 18.10 ? 18  ASN A N   1 
ATOM   142  C CA  . ASN A 1 18  ? 7.244   14.672  6.254  1.00 17.31 ? 18  ASN A CA  1 
ATOM   143  C C   . ASN A 1 18  ? 5.749   14.694  6.514  1.00 16.18 ? 18  ASN A C   1 
ATOM   144  O O   . ASN A 1 18  ? 4.948   14.732  5.572  1.00 19.41 ? 18  ASN A O   1 
ATOM   145  C CB  . ASN A 1 18  ? 7.671   15.929  5.495  1.00 14.65 ? 18  ASN A CB  1 
ATOM   146  C CG  . ASN A 1 18  ? 7.482   17.198  6.312  1.00 16.12 ? 18  ASN A CG  1 
ATOM   147  O OD1 . ASN A 1 18  ? 7.032   17.150  7.456  1.00 24.35 ? 18  ASN A OD1 1 
ATOM   148  N ND2 . ASN A 1 18  ? 7.824   18.337  5.730  1.00 25.61 ? 18  ASN A ND2 1 
ATOM   149  N N   . GLN A 1 19  ? 5.381   14.636  7.790  1.00 18.38 ? 19  GLN A N   1 
ATOM   150  C CA  . GLN A 1 19  ? 3.980   14.662  8.176  1.00 19.64 ? 19  GLN A CA  1 
ATOM   151  C C   . GLN A 1 19  ? 3.338   16.044  8.022  1.00 20.73 ? 19  GLN A C   1 
ATOM   152  O O   . GLN A 1 19  ? 2.106   16.139  8.042  1.00 24.55 ? 19  GLN A O   1 
ATOM   153  C CB  . GLN A 1 19  ? 3.892   14.173  9.610  1.00 18.81 ? 19  GLN A CB  1 
ATOM   154  C CG  . GLN A 1 19  ? 4.534   15.142  10.574 1.00 16.97 ? 19  GLN A CG  1 
ATOM   155  C CD  . GLN A 1 19  ? 4.594   14.597  11.981 1.00 20.07 ? 19  GLN A CD  1 
ATOM   156  O OE1 . GLN A 1 19  ? 5.507   13.838  12.321 1.00 17.81 ? 19  GLN A OE1 1 
ATOM   157  N NE2 . GLN A 1 19  ? 3.629   14.975  12.806 1.00 12.81 ? 19  GLN A NE2 1 
ATOM   158  N N   . GLY A 1 20  ? 4.123   17.118  7.895  1.00 15.50 ? 20  GLY A N   1 
ATOM   159  C CA  . GLY A 1 20  ? 3.462   18.410  7.782  1.00 15.61 ? 20  GLY A CA  1 
ATOM   160  C C   . GLY A 1 20  ? 2.876   18.857  9.108  1.00 20.84 ? 20  GLY A C   1 
ATOM   161  O O   . GLY A 1 20  ? 3.300   18.437  10.185 1.00 33.80 ? 20  GLY A O   1 
ATOM   162  N N   . SER A 1 21  ? 1.869   19.729  9.019  1.00 28.62 ? 21  SER A N   1 
ATOM   163  C CA  . SER A 1 21  ? 1.260   20.292  10.221 1.00 31.10 ? 21  SER A CA  1 
ATOM   164  C C   . SER A 1 21  ? 0.347   19.297  10.923 1.00 30.56 ? 21  SER A C   1 
ATOM   165  O O   . SER A 1 21  ? 0.078   19.449  12.119 1.00 30.48 ? 21  SER A O   1 
ATOM   166  C CB  . SER A 1 21  ? 0.470   21.551  9.867  1.00 28.85 ? 21  SER A CB  1 
ATOM   167  O OG  . SER A 1 21  ? -0.488  21.262  8.863  1.00 41.96 ? 21  SER A OG  1 
ATOM   168  N N   . CYS A 1 22  ? -0.077  18.263  10.212 1.00 27.82 ? 22  CYS A N   1 
ATOM   169  C CA  . CYS A 1 22  ? -1.008  17.274  10.727 1.00 25.91 ? 22  CYS A CA  1 
ATOM   170  C C   . CYS A 1 22  ? -0.381  16.444  11.837 1.00 30.41 ? 22  CYS A C   1 
ATOM   171  O O   . CYS A 1 22  ? 0.788   16.052  11.760 1.00 28.71 ? 22  CYS A O   1 
ATOM   172  C CB  . CYS A 1 22  ? -1.461  16.370  9.575  1.00 26.47 ? 22  CYS A CB  1 
ATOM   173  S SG  . CYS A 1 22  ? -2.499  14.957  10.008 1.00 38.84 ? 22  CYS A SG  1 
ATOM   174  N N   . GLY A 1 23  ? -1.152  16.216  12.898 1.00 20.55 ? 23  GLY A N   1 
ATOM   175  C CA  . GLY A 1 23  ? -0.698  15.372  13.984 1.00 21.45 ? 23  GLY A CA  1 
ATOM   176  C C   . GLY A 1 23  ? -0.826  13.897  13.662 1.00 24.06 ? 23  GLY A C   1 
ATOM   177  O O   . GLY A 1 23  ? -1.565  13.164  14.328 1.00 22.98 ? 23  GLY A O   1 
ATOM   178  N N   . SER A 1 24  ? -0.131  13.455  12.618 1.00 19.82 ? 24  SER A N   1 
ATOM   179  C CA  . SER A 1 24  ? -0.239  12.090  12.120 1.00 20.33 ? 24  SER A CA  1 
ATOM   180  C C   . SER A 1 24  ? 0.991   11.245  12.427 1.00 19.46 ? 24  SER A C   1 
ATOM   181  O O   . SER A 1 24  ? 1.170   10.182  11.822 1.00 20.89 ? 24  SER A O   1 
ATOM   182  C CB  . SER A 1 24  ? -0.486  12.110  10.613 1.00 26.80 ? 24  SER A CB  1 
ATOM   183  O OG  . SER A 1 24  ? 0.482   12.918  9.958  1.00 20.79 ? 24  SER A OG  1 
ATOM   184  N N   . CYS A 1 25  ? 1.853   11.696  13.336 1.00 13.60 ? 25  CYS A N   1 
ATOM   185  C CA  . CYS A 1 25  ? 3.110   10.990  13.559 1.00 17.19 ? 25  CYS A CA  1 
ATOM   186  C C   . CYS A 1 25  ? 2.887   9.536   13.934 1.00 14.73 ? 25  CYS A C   1 
ATOM   187  O O   . CYS A 1 25  ? 3.703   8.675   13.593 1.00 16.10 ? 25  CYS A O   1 
ATOM   188  C CB  . CYS A 1 25  ? 3.910   11.673  14.662 1.00 26.48 ? 25  CYS A CB  1 
ATOM   189  S SG  . CYS A 1 25  ? 2.972   11.823  16.192 1.00 20.08 ? 25  CYS A SG  1 
ATOM   190  N N   . TRP A 1 26  ? 1.802   9.252   14.652 1.00 15.42 ? 26  TRP A N   1 
ATOM   191  C CA  . TRP A 1 26  ? 1.522   7.898   15.110 1.00 18.00 ? 26  TRP A CA  1 
ATOM   192  C C   . TRP A 1 26  ? 1.329   6.952   13.935 1.00 16.50 ? 26  TRP A C   1 
ATOM   193  O O   . TRP A 1 26  ? 1.837   5.819   13.938 1.00 17.73 ? 26  TRP A O   1 
ATOM   194  C CB  . TRP A 1 26  ? 0.281   7.934   15.999 1.00 18.67 ? 26  TRP A CB  1 
ATOM   195  C CG  . TRP A 1 26  ? -0.886  8.567   15.304 1.00 15.35 ? 26  TRP A CG  1 
ATOM   196  C CD1 . TRP A 1 26  ? -1.178  9.902   15.226 1.00 18.87 ? 26  TRP A CD1 1 
ATOM   197  C CD2 . TRP A 1 26  ? -1.919  7.892   14.578 1.00 19.60 ? 26  TRP A CD2 1 
ATOM   198  N NE1 . TRP A 1 26  ? -2.327  10.096  14.499 1.00 15.86 ? 26  TRP A NE1 1 
ATOM   199  C CE2 . TRP A 1 26  ? -2.803  8.875   14.093 1.00 14.99 ? 26  TRP A CE2 1 
ATOM   200  C CE3 . TRP A 1 26  ? -2.187  6.552   14.298 1.00 16.50 ? 26  TRP A CE3 1 
ATOM   201  C CZ2 . TRP A 1 26  ? -3.933  8.557   13.346 1.00 14.52 ? 26  TRP A CZ2 1 
ATOM   202  C CZ3 . TRP A 1 26  ? -3.317  6.243   13.560 1.00 17.26 ? 26  TRP A CZ3 1 
ATOM   203  C CH2 . TRP A 1 26  ? -4.166  7.243   13.084 1.00 12.69 ? 26  TRP A CH2 1 
ATOM   204  N N   . ALA A 1 27  ? 0.717   7.454   12.866 1.00 17.36 ? 27  ALA A N   1 
ATOM   205  C CA  . ALA A 1 27  ? 0.528   6.643   11.673 1.00 18.73 ? 27  ALA A CA  1 
ATOM   206  C C   . ALA A 1 27  ? 1.831   6.485   10.901 1.00 11.22 ? 27  ALA A C   1 
ATOM   207  O O   . ALA A 1 27  ? 2.119   5.405   10.391 1.00 16.55 ? 27  ALA A O   1 
ATOM   208  C CB  . ALA A 1 27  ? -0.552  7.273   10.787 1.00 19.39 ? 27  ALA A CB  1 
ATOM   209  N N   . PHE A 1 28  ? 2.647   7.532   10.833 1.00 15.46 ? 28  PHE A N   1 
ATOM   210  C CA  . PHE A 1 28  ? 3.931   7.406   10.156 1.00 13.43 ? 28  PHE A CA  1 
ATOM   211  C C   . PHE A 1 28  ? 4.825   6.396   10.863 1.00 13.35 ? 28  PHE A C   1 
ATOM   212  O O   . PHE A 1 28  ? 5.462   5.553   10.221 1.00 14.27 ? 28  PHE A O   1 
ATOM   213  C CB  . PHE A 1 28  ? 4.595   8.775   10.089 1.00 14.10 ? 28  PHE A CB  1 
ATOM   214  C CG  . PHE A 1 28  ? 4.063   9.638   8.983  1.00 21.19 ? 28  PHE A CG  1 
ATOM   215  C CD1 . PHE A 1 28  ? 2.884   10.335  9.146  1.00 26.98 ? 28  PHE A CD1 1 
ATOM   216  C CD2 . PHE A 1 28  ? 4.730   9.742   7.774  1.00 26.50 ? 28  PHE A CD2 1 
ATOM   217  C CE1 . PHE A 1 28  ? 2.376   11.135  8.134  1.00 22.94 ? 28  PHE A CE1 1 
ATOM   218  C CE2 . PHE A 1 28  ? 4.228   10.544  6.755  1.00 27.66 ? 28  PHE A CE2 1 
ATOM   219  C CZ  . PHE A 1 28  ? 3.048   11.236  6.936  1.00 25.56 ? 28  PHE A CZ  1 
ATOM   220  N N   . SER A 1 29  ? 4.908   6.494   12.191 1.00 16.04 ? 29  SER A N   1 
ATOM   221  C CA  . SER A 1 29  ? 5.676   5.544   12.992 1.00 12.55 ? 29  SER A CA  1 
ATOM   222  C C   . SER A 1 29  ? 5.198   4.112   12.744 1.00 11.96 ? 29  SER A C   1 
ATOM   223  O O   . SER A 1 29  ? 5.997   3.198   12.451 1.00 17.06 ? 29  SER A O   1 
ATOM   224  C CB  . SER A 1 29  ? 5.564   5.931   14.470 1.00 12.91 ? 29  SER A CB  1 
ATOM   225  O OG  . SER A 1 29  ? 6.155   4.942   15.295 1.00 18.44 ? 29  SER A OG  1 
ATOM   226  N N   . ALA A 1 30  ? 3.881   3.899   12.839 1.00 14.47 ? 30  ALA A N   1 
ATOM   227  C CA  . ALA A 1 30  ? 3.345   2.566   12.594 1.00 19.73 ? 30  ALA A CA  1 
ATOM   228  C C   . ALA A 1 30  ? 3.727   2.082   11.199 1.00 16.98 ? 30  ALA A C   1 
ATOM   229  O O   . ALA A 1 30  ? 4.124   0.921   11.014 1.00 17.60 ? 30  ALA A O   1 
ATOM   230  C CB  . ALA A 1 30  ? 1.826   2.584   12.765 1.00 16.83 ? 30  ALA A CB  1 
ATOM   231  N N   . VAL A 1 31  ? 3.582   2.954   10.197 1.00 12.13 ? 31  VAL A N   1 
ATOM   232  C CA  . VAL A 1 31  ? 3.876   2.565   8.825  1.00 13.66 ? 31  VAL A CA  1 
ATOM   233  C C   . VAL A 1 31  ? 5.346   2.185   8.676  1.00 17.07 ? 31  VAL A C   1 
ATOM   234  O O   . VAL A 1 31  ? 5.691   1.286   7.899  1.00 16.37 ? 31  VAL A O   1 
ATOM   235  C CB  . VAL A 1 31  ? 3.463   3.675   7.846  1.00 19.82 ? 31  VAL A CB  1 
ATOM   236  C CG1 . VAL A 1 31  ? 4.119   3.452   6.479  1.00 17.86 ? 31  VAL A CG1 1 
ATOM   237  C CG2 . VAL A 1 31  ? 1.962   3.704   7.706  1.00 18.18 ? 31  VAL A CG2 1 
ATOM   238  N N   . VAL A 1 32  ? 6.242   2.911   9.345  1.00 14.06 ? 32  VAL A N   1 
ATOM   239  C CA  . VAL A 1 32  ? 7.653   2.533   9.276  1.00 17.56 ? 32  VAL A CA  1 
ATOM   240  C C   . VAL A 1 32  ? 7.829   1.095   9.742  1.00 16.70 ? 32  VAL A C   1 
ATOM   241  O O   . VAL A 1 32  ? 8.542   0.295   9.112  1.00 16.09 ? 32  VAL A O   1 
ATOM   242  C CB  . VAL A 1 32  ? 8.533   3.487   10.109 1.00 21.57 ? 32  VAL A CB  1 
ATOM   243  C CG1 . VAL A 1 32  ? 9.978   3.009   10.083 1.00 15.44 ? 32  VAL A CG1 1 
ATOM   244  C CG2 . VAL A 1 32  ? 8.450   4.902   9.588  1.00 20.53 ? 32  VAL A CG2 1 
ATOM   245  N N   . THR A 1 33  ? 7.152   0.730   10.837 1.00 15.63 ? 33  THR A N   1 
ATOM   246  C CA  . THR A 1 33  ? 7.348   -0.636  11.336 1.00 14.66 ? 33  THR A CA  1 
ATOM   247  C C   . THR A 1 33  ? 6.725   -1.666  10.393 1.00 16.50 ? 33  THR A C   1 
ATOM   248  O O   . THR A 1 33  ? 7.220   -2.796  10.288 1.00 17.05 ? 33  THR A O   1 
ATOM   249  C CB  . THR A 1 33  ? 6.828   -0.788  12.767 1.00 12.19 ? 33  THR A CB  1 
ATOM   250  O OG1 . THR A 1 33  ? 5.399   -0.757  12.787 1.00 16.63 ? 33  THR A OG1 1 
ATOM   251  C CG2 . THR A 1 33  ? 7.334   0.360   13.593 1.00 13.88 ? 33  THR A CG2 1 
ATOM   252  N N   . ILE A 1 34  ? 5.656   -1.299  9.688  1.00 18.30 ? 34  ILE A N   1 
ATOM   253  C CA  . ILE A 1 34  ? 5.066   -2.236  8.727  1.00 17.14 ? 34  ILE A CA  1 
ATOM   254  C C   . ILE A 1 34  ? 5.972   -2.426  7.518  1.00 17.19 ? 34  ILE A C   1 
ATOM   255  O O   . ILE A 1 34  ? 6.188   -3.558  7.071  1.00 21.32 ? 34  ILE A O   1 
ATOM   256  C CB  . ILE A 1 34  ? 3.652   -1.795  8.323  1.00 21.58 ? 34  ILE A CB  1 
ATOM   257  C CG1 . ILE A 1 34  ? 2.752   -1.785  9.560  1.00 17.38 ? 34  ILE A CG1 1 
ATOM   258  C CG2 . ILE A 1 34  ? 3.112   -2.618  7.130  1.00 16.99 ? 34  ILE A CG2 1 
ATOM   259  C CD1 . ILE A 1 34  ? 1.636   -0.811  9.442  1.00 28.84 ? 34  ILE A CD1 1 
ATOM   260  N N   . GLU A 1 35  ? 6.478   -1.332  6.940  1.00 19.63 ? 35  GLU A N   1 
ATOM   261  C CA  . GLU A 1 35  ? 7.432   -1.434  5.830  1.00 19.80 ? 35  GLU A CA  1 
ATOM   262  C C   . GLU A 1 35  ? 8.610   -2.325  6.230  1.00 16.63 ? 35  GLU A C   1 
ATOM   263  O O   . GLU A 1 35  ? 9.041   -3.205  5.469  1.00 23.58 ? 35  GLU A O   1 
ATOM   264  C CB  . GLU A 1 35  ? 7.929   -0.041  5.445  1.00 18.96 ? 35  GLU A CB  1 
ATOM   265  C CG  . GLU A 1 35  ? 6.805   0.848   4.928  1.00 23.33 ? 35  GLU A CG  1 
ATOM   266  C CD  . GLU A 1 35  ? 7.204   2.314   4.781  1.00 25.20 ? 35  GLU A CD  1 
ATOM   267  O OE1 . GLU A 1 35  ? 7.581   2.766   3.677  1.00 31.80 ? 35  GLU A OE1 1 
ATOM   268  O OE2 . GLU A 1 35  ? 7.195   3.015   5.814  1.00 24.10 ? 35  GLU A OE2 1 
ATOM   269  N N   . GLY A 1 36  ? 9.074   -2.176  7.473  1.00 17.92 ? 36  GLY A N   1 
ATOM   270  C CA  . GLY A 1 36  ? 10.212  -2.963  7.921  1.00 18.75 ? 36  GLY A CA  1 
ATOM   271  C C   . GLY A 1 36  ? 9.872   -4.437  8.032  1.00 19.33 ? 36  GLY A C   1 
ATOM   272  O O   . GLY A 1 36  ? 10.631  -5.294  7.569  1.00 19.21 ? 36  GLY A O   1 
ATOM   273  N N   . ILE A 1 37  ? 8.755   -4.761  8.693  1.00 18.36 ? 37  ILE A N   1 
ATOM   274  C CA  . ILE A 1 37  ? 8.455   -6.178  8.881  1.00 17.33 ? 37  ILE A CA  1 
ATOM   275  C C   . ILE A 1 37  ? 8.100   -6.828  7.541  1.00 20.88 ? 37  ILE A C   1 
ATOM   276  O O   . ILE A 1 37  ? 8.424   -7.998  7.316  1.00 22.32 ? 37  ILE A O   1 
ATOM   277  C CB  . ILE A 1 37  ? 7.337   -6.374  9.926  1.00 20.44 ? 37  ILE A CB  1 
ATOM   278  C CG1 . ILE A 1 37  ? 7.316   -7.812  10.456 1.00 21.18 ? 37  ILE A CG1 1 
ATOM   279  C CG2 . ILE A 1 37  ? 5.979   -6.061  9.330  1.00 25.80 ? 37  ILE A CG2 1 
ATOM   280  C CD1 . ILE A 1 37  ? 8.578   -8.239  11.093 1.00 22.00 ? 37  ILE A CD1 1 
ATOM   281  N N   . ILE A 1 38  ? 7.504   -6.082  6.602  1.00 20.39 ? 38  ILE A N   1 
ATOM   282  C CA  . ILE A 1 38  ? 7.220   -6.681  5.303  1.00 19.03 ? 38  ILE A CA  1 
ATOM   283  C C   . ILE A 1 38  ? 8.516   -6.953  4.544  1.00 23.83 ? 38  ILE A C   1 
ATOM   284  O O   . ILE A 1 38  ? 8.666   -8.009  3.920  1.00 27.45 ? 38  ILE A O   1 
ATOM   285  C CB  . ILE A 1 38  ? 6.250   -5.810  4.482  1.00 20.71 ? 38  ILE A CB  1 
ATOM   286  C CG1 . ILE A 1 38  ? 4.872   -5.759  5.136  1.00 20.29 ? 38  ILE A CG1 1 
ATOM   287  C CG2 . ILE A 1 38  ? 6.048   -6.423  3.110  1.00 24.36 ? 38  ILE A CG2 1 
ATOM   288  C CD1 . ILE A 1 38  ? 4.275   -7.127  5.388  1.00 21.48 ? 38  ILE A CD1 1 
ATOM   289  N N   . LYS A 1 39  ? 9.491   -6.038  4.617  1.00 22.45 ? 39  LYS A N   1 
ATOM   290  C CA  . LYS A 1 39  ? 10.782  -6.306  3.981  1.00 20.63 ? 39  LYS A CA  1 
ATOM   291  C C   . LYS A 1 39  ? 11.497  -7.486  4.624  1.00 22.84 ? 39  LYS A C   1 
ATOM   292  O O   . LYS A 1 39  ? 12.070  -8.334  3.929  1.00 24.27 ? 39  LYS A O   1 
ATOM   293  C CB  . LYS A 1 39  ? 11.680  -5.074  4.019  1.00 20.84 ? 39  LYS A CB  1 
ATOM   294  C CG  . LYS A 1 39  ? 13.120  -5.407  3.660  1.00 23.32 ? 39  LYS A CG  1 
ATOM   295  C CD  . LYS A 1 39  ? 13.255  -5.829  2.205  1.00 27.50 ? 39  LYS A CD  1 
ATOM   296  C CE  . LYS A 1 39  ? 14.708  -6.149  1.854  1.00 29.94 ? 39  LYS A CE  1 
ATOM   297  N NZ  . LYS A 1 39  ? 15.490  -4.937  1.452  1.00 33.25 ? 39  LYS A NZ  1 
ATOM   298  N N   . ILE A 1 40  ? 11.516  -7.529  5.953  1.00 21.82 ? 40  ILE A N   1 
ATOM   299  C CA  . ILE A 1 40  ? 12.189  -8.608  6.668  1.00 24.33 ? 40  ILE A CA  1 
ATOM   300  C C   . ILE A 1 40  ? 11.579  -9.964  6.320  1.00 24.73 ? 40  ILE A C   1 
ATOM   301  O O   . ILE A 1 40  ? 12.303  -10.939 6.071  1.00 26.70 ? 40  ILE A O   1 
ATOM   302  C CB  . ILE A 1 40  ? 12.157  -8.326  8.184  1.00 27.48 ? 40  ILE A CB  1 
ATOM   303  C CG1 . ILE A 1 40  ? 13.128  -7.205  8.531  1.00 24.86 ? 40  ILE A CG1 1 
ATOM   304  C CG2 . ILE A 1 40  ? 12.531  -9.546  8.991  1.00 23.61 ? 40  ILE A CG2 1 
ATOM   305  C CD1 . ILE A 1 40  ? 12.839  -6.567  9.856  1.00 27.22 ? 40  ILE A CD1 1 
ATOM   306  N N   . ARG A 1 41  ? 10.248  -10.042 6.247  1.00 26.12 ? 41  ARG A N   1 
ATOM   307  C CA  . ARG A 1 41  ? 9.594   -11.327 6.024  1.00 27.73 ? 41  ARG A CA  1 
ATOM   308  C C   . ARG A 1 41  ? 9.520   -11.725 4.552  1.00 26.05 ? 41  ARG A C   1 
ATOM   309  O O   . ARG A 1 41  ? 9.540   -12.922 4.252  1.00 29.27 ? 41  ARG A O   1 
ATOM   310  C CB  . ARG A 1 41  ? 8.203   -11.300 6.657  1.00 26.93 ? 41  ARG A CB  1 
ATOM   311  C CG  . ARG A 1 41  ? 8.298   -11.234 8.158  1.00 31.40 ? 41  ARG A CG  1 
ATOM   312  C CD  . ARG A 1 41  ? 8.773   -12.555 8.733  1.00 28.94 ? 41  ARG A CD  1 
ATOM   313  N NE  . ARG A 1 41  ? 8.907   -12.453 10.177 1.00 27.65 ? 41  ARG A NE  1 
ATOM   314  C CZ  . ARG A 1 41  ? 10.057  -12.220 10.795 1.00 41.88 ? 41  ARG A CZ  1 
ATOM   315  N NH1 . ARG A 1 41  ? 11.195  -12.135 10.126 1.00 31.70 ? 41  ARG A NH1 1 
ATOM   316  N NH2 . ARG A 1 41  ? 10.069  -12.074 12.117 1.00 43.26 ? 41  ARG A NH2 1 
ATOM   317  N N   . THR A 1 42  ? 9.432   -10.775 3.620  1.00 28.12 ? 42  THR A N   1 
ATOM   318  C CA  . THR A 1 42  ? 9.195   -11.121 2.223  1.00 31.20 ? 42  THR A CA  1 
ATOM   319  C C   . THR A 1 42  ? 10.338  -10.742 1.292  1.00 35.97 ? 42  THR A C   1 
ATOM   320  O O   . THR A 1 42  ? 10.358  -11.219 0.150  1.00 38.82 ? 42  THR A O   1 
ATOM   321  C CB  . THR A 1 42  ? 7.891   -10.491 1.695  1.00 24.51 ? 42  THR A CB  1 
ATOM   322  O OG1 . THR A 1 42  ? 8.083   -9.093  1.436  1.00 25.81 ? 42  THR A OG1 1 
ATOM   323  C CG2 . THR A 1 42  ? 6.737   -10.704 2.663  1.00 26.07 ? 42  THR A CG2 1 
ATOM   324  N N   . GLY A 1 43  ? 11.278  -9.902  1.726  1.00 28.40 ? 43  GLY A N   1 
ATOM   325  C CA  . GLY A 1 43  ? 12.383  -9.485  0.882  1.00 25.66 ? 43  GLY A CA  1 
ATOM   326  C C   . GLY A 1 43  ? 12.142  -8.251  0.039  1.00 25.38 ? 43  GLY A C   1 
ATOM   327  O O   . GLY A 1 43  ? 13.088  -7.756  -0.586 1.00 32.87 ? 43  GLY A O   1 
ATOM   328  N N   . ASN A 1 44  ? 10.929  -7.710  0.034  1.00 27.12 ? 44  ASN A N   1 
ATOM   329  C CA  . ASN A 1 44  ? 10.577  -6.558  -0.785 1.00 25.75 ? 44  ASN A CA  1 
ATOM   330  C C   . ASN A 1 44  ? 10.323  -5.353  0.107  1.00 31.75 ? 44  ASN A C   1 
ATOM   331  O O   . ASN A 1 44  ? 9.563   -5.439  1.076  1.00 26.00 ? 44  ASN A O   1 
ATOM   332  C CB  . ASN A 1 44  ? 9.348   -6.875  -1.633 1.00 37.71 ? 44  ASN A CB  1 
ATOM   333  C CG  . ASN A 1 44  ? 9.541   -8.115  -2.477 1.00 34.81 ? 44  ASN A CG  1 
ATOM   334  O OD1 . ASN A 1 44  ? 10.570  -8.278  -3.129 1.00 26.07 ? 44  ASN A OD1 1 
ATOM   335  N ND2 . ASN A 1 44  ? 8.576   -9.023  -2.423 1.00 42.21 ? 44  ASN A ND2 1 
ATOM   336  N N   . LEU A 1 45  ? 10.919  -4.223  -0.255 1.00 26.00 ? 45  LEU A N   1 
ATOM   337  C CA  . LEU A 1 45  ? 10.676  -2.957  0.415  1.00 22.78 ? 45  LEU A CA  1 
ATOM   338  C C   . LEU A 1 45  ? 9.622   -2.158  -0.341 1.00 30.78 ? 45  LEU A C   1 
ATOM   339  O O   . LEU A 1 45  ? 9.852   -1.729  -1.478 1.00 26.38 ? 45  LEU A O   1 
ATOM   340  C CB  . LEU A 1 45  ? 11.974  -2.162  0.519  1.00 20.19 ? 45  LEU A CB  1 
ATOM   341  C CG  . LEU A 1 45  ? 11.794  -0.881  1.321  1.00 30.36 ? 45  LEU A CG  1 
ATOM   342  C CD1 . LEU A 1 45  ? 11.407  -1.230  2.768  1.00 22.68 ? 45  LEU A CD1 1 
ATOM   343  C CD2 . LEU A 1 45  ? 13.033  -0.005  1.243  1.00 24.24 ? 45  LEU A CD2 1 
ATOM   344  N N   . ASN A 1 46  ? 8.493   -1.912  0.312  1.00 27.98 ? 46  ASN A N   1 
ATOM   345  C CA  . ASN A 1 46  ? 7.415   -1.127  -0.262 1.00 25.16 ? 46  ASN A CA  1 
ATOM   346  C C   . ASN A 1 46  ? 7.069   0.006   0.683  1.00 26.72 ? 46  ASN A C   1 
ATOM   347  O O   . ASN A 1 46  ? 7.392   -0.023  1.872  1.00 24.54 ? 46  ASN A O   1 
ATOM   348  C CB  . ASN A 1 46  ? 6.184   -1.983  -0.549 1.00 23.29 ? 46  ASN A CB  1 
ATOM   349  C CG  . ASN A 1 46  ? 6.532   -3.236  -1.310 1.00 32.78 ? 46  ASN A CG  1 
ATOM   350  O OD1 . ASN A 1 46  ? 6.415   -4.351  -0.790 1.00 32.21 ? 46  ASN A OD1 1 
ATOM   351  N ND2 . ASN A 1 46  ? 6.974   -3.062  -2.558 1.00 35.36 ? 46  ASN A ND2 1 
ATOM   352  N N   . GLU A 1 47  ? 6.424   1.017   0.129  1.00 24.19 ? 47  GLU A N   1 
ATOM   353  C CA  . GLU A 1 47  ? 5.879   2.103   0.916  1.00 21.59 ? 47  GLU A CA  1 
ATOM   354  C C   . GLU A 1 47  ? 4.395   1.855   1.120  1.00 17.60 ? 47  GLU A C   1 
ATOM   355  O O   . GLU A 1 47  ? 3.686   1.498   0.177  1.00 22.52 ? 47  GLU A O   1 
ATOM   356  C CB  . GLU A 1 47  ? 6.127   3.401   0.154  1.00 24.35 ? 47  GLU A CB  1 
ATOM   357  C CG  . GLU A 1 47  ? 7.597   3.753   0.150  1.00 31.59 ? 47  GLU A CG  1 
ATOM   358  C CD  . GLU A 1 47  ? 7.923   5.029   -0.597 1.00 43.97 ? 47  GLU A CD  1 
ATOM   359  O OE1 . GLU A 1 47  ? 8.837   4.967   -1.452 1.00 38.81 ? 47  GLU A OE1 1 
ATOM   360  O OE2 . GLU A 1 47  ? 7.286   6.076   -0.352 1.00 44.75 ? 47  GLU A OE2 1 
ATOM   361  N N   . TYR A 1 48  ? 3.930   2.046   2.344  1.00 13.84 ? 48  TYR A N   1 
ATOM   362  C CA  . TYR A 1 48  ? 2.536   1.833   2.675  1.00 16.30 ? 48  TYR A CA  1 
ATOM   363  C C   . TYR A 1 48  ? 1.921   3.146   3.124  1.00 17.46 ? 48  TYR A C   1 
ATOM   364  O O   . TYR A 1 48  ? 2.608   4.152   3.316  1.00 22.39 ? 48  TYR A O   1 
ATOM   365  C CB  . TYR A 1 48  ? 2.367   0.714   3.713  1.00 16.74 ? 48  TYR A CB  1 
ATOM   366  C CG  . TYR A 1 48  ? 2.800   -0.624  3.144  1.00 18.42 ? 48  TYR A CG  1 
ATOM   367  C CD1 . TYR A 1 48  ? 2.012   -1.280  2.204  1.00 19.36 ? 48  TYR A CD1 1 
ATOM   368  C CD2 . TYR A 1 48  ? 3.999   -1.205  3.505  1.00 19.54 ? 48  TYR A CD2 1 
ATOM   369  C CE1 . TYR A 1 48  ? 2.395   -2.478  1.662  1.00 20.33 ? 48  TYR A CE1 1 
ATOM   370  C CE2 . TYR A 1 48  ? 4.392   -2.411  2.967  1.00 21.83 ? 48  TYR A CE2 1 
ATOM   371  C CZ  . TYR A 1 48  ? 3.589   -3.044  2.041  1.00 24.02 ? 48  TYR A CZ  1 
ATOM   372  O OH  . TYR A 1 48  ? 3.990   -4.250  1.493  1.00 24.97 ? 48  TYR A OH  1 
ATOM   373  N N   . SER A 1 49  ? 0.604   3.114   3.271  1.00 18.60 ? 49  SER A N   1 
ATOM   374  C CA  . SER A 1 49  ? -0.222  4.313   3.349  1.00 17.98 ? 49  SER A CA  1 
ATOM   375  C C   . SER A 1 49  ? -0.409  4.770   4.794  1.00 17.08 ? 49  SER A C   1 
ATOM   376  O O   . SER A 1 49  ? -1.115  4.123   5.573  1.00 20.10 ? 49  SER A O   1 
ATOM   377  C CB  . SER A 1 49  ? -1.564  4.055   2.679  1.00 14.87 ? 49  SER A CB  1 
ATOM   378  O OG  . SER A 1 49  ? -2.366  5.205   2.792  1.00 21.11 ? 49  SER A OG  1 
ATOM   379  N N   . GLU A 1 50  ? 0.236   5.879   5.153  1.00 22.80 ? 50  GLU A N   1 
ATOM   380  C CA  . GLU A 1 50  ? -0.094  6.597   6.381  1.00 18.12 ? 50  GLU A CA  1 
ATOM   381  C C   . GLU A 1 50  ? -1.512  7.144   6.332  1.00 16.59 ? 50  GLU A C   1 
ATOM   382  O O   . GLU A 1 50  ? -2.231  7.153   7.340  1.00 16.80 ? 50  GLU A O   1 
ATOM   383  C CB  . GLU A 1 50  ? 0.912   7.727   6.581  1.00 21.16 ? 50  GLU A CB  1 
ATOM   384  C CG  . GLU A 1 50  ? 2.336   7.211   6.697  1.00 29.18 ? 50  GLU A CG  1 
ATOM   385  C CD  . GLU A 1 50  ? 3.031   7.154   5.334  1.00 39.63 ? 50  GLU A CD  1 
ATOM   386  O OE1 . GLU A 1 50  ? 2.367   7.461   4.309  1.00 34.41 ? 50  GLU A OE1 1 
ATOM   387  O OE2 . GLU A 1 50  ? 4.224   6.772   5.276  1.00 33.92 ? 50  GLU A OE2 1 
ATOM   388  N N   . GLN A 1 51  ? -1.928  7.621   5.158  1.00 19.42 ? 51  GLN A N   1 
ATOM   389  C CA  . GLN A 1 51  ? -3.248  8.232   5.030  1.00 19.33 ? 51  GLN A CA  1 
ATOM   390  C C   . GLN A 1 51  ? -4.356  7.241   5.368  1.00 21.22 ? 51  GLN A C   1 
ATOM   391  O O   . GLN A 1 51  ? -5.381  7.609   5.956  1.00 22.13 ? 51  GLN A O   1 
ATOM   392  C CB  . GLN A 1 51  ? -3.444  8.809   3.634  1.00 18.06 ? 51  GLN A CB  1 
ATOM   393  C CG  . GLN A 1 51  ? -4.756  9.547   3.490  1.00 11.56 ? 51  GLN A CG  1 
ATOM   394  C CD  . GLN A 1 51  ? -4.732  10.871  4.235  1.00 14.06 ? 51  GLN A CD  1 
ATOM   395  O OE1 . GLN A 1 51  ? -3.711  11.548  4.271  1.00 18.21 ? 51  GLN A OE1 1 
ATOM   396  N NE2 . GLN A 1 51  ? -5.850  11.228  4.859  1.00 17.12 ? 51  GLN A NE2 1 
ATOM   397  N N   . GLU A 1 52  ? -4.184  5.987   4.973  1.00 16.41 ? 52  GLU A N   1 
ATOM   398  C CA  . GLU A 1 52  ? -5.187  4.985   5.277  1.00 18.41 ? 52  GLU A CA  1 
ATOM   399  C C   . GLU A 1 52  ? -5.387  4.866   6.788  1.00 20.87 ? 52  GLU A C   1 
ATOM   400  O O   . GLU A 1 52  ? -6.519  4.756   7.268  1.00 23.71 ? 52  GLU A O   1 
ATOM   401  C CB  . GLU A 1 52  ? -4.745  3.676   4.649  1.00 22.30 ? 52  GLU A CB  1 
ATOM   402  C CG  . GLU A 1 52  ? -5.747  2.610   4.746  1.00 21.07 ? 52  GLU A CG  1 
ATOM   403  C CD  . GLU A 1 52  ? -5.388  1.442   3.876  1.00 28.98 ? 52  GLU A CD  1 
ATOM   404  O OE1 . GLU A 1 52  ? -4.184  1.276   3.565  1.00 26.99 ? 52  GLU A OE1 1 
ATOM   405  O OE2 . GLU A 1 52  ? -6.308  0.639   3.586  1.00 35.51 ? 52  GLU A OE2 1 
ATOM   406  N N   . LEU A 1 53  ? -4.293  4.869   7.557  1.00 21.03 ? 53  LEU A N   1 
ATOM   407  C CA  . LEU A 1 53  ? -4.412  4.797   9.015  1.00 17.25 ? 53  LEU A CA  1 
ATOM   408  C C   . LEU A 1 53  ? -5.048  6.072   9.569  1.00 22.88 ? 53  LEU A C   1 
ATOM   409  O O   . LEU A 1 53  ? -5.882  6.015   10.484 1.00 19.84 ? 53  LEU A O   1 
ATOM   410  C CB  . LEU A 1 53  ? -3.033  4.581   9.627  1.00 18.07 ? 53  LEU A CB  1 
ATOM   411  C CG  . LEU A 1 53  ? -2.359  3.344   9.023  1.00 23.49 ? 53  LEU A CG  1 
ATOM   412  C CD1 . LEU A 1 53  ? -1.000  3.137   9.626  1.00 19.09 ? 53  LEU A CD1 1 
ATOM   413  C CD2 . LEU A 1 53  ? -3.218  2.097   9.150  1.00 19.40 ? 53  LEU A CD2 1 
ATOM   414  N N   . LEU A 1 54  ? -4.660  7.231   9.026  1.00 19.56 ? 54  LEU A N   1 
ATOM   415  C CA  . LEU A 1 54  ? -5.266  8.495   9.433  1.00 13.03 ? 54  LEU A CA  1 
ATOM   416  C C   . LEU A 1 54  ? -6.780  8.475   9.266  1.00 17.22 ? 54  LEU A C   1 
ATOM   417  O O   . LEU A 1 54  ? -7.520  8.913   10.152 1.00 24.01 ? 54  LEU A O   1 
ATOM   418  C CB  . LEU A 1 54  ? -4.696  9.633   8.586  1.00 19.64 ? 54  LEU A CB  1 
ATOM   419  C CG  . LEU A 1 54  ? -3.709  10.644  9.152  1.00 27.14 ? 54  LEU A CG  1 
ATOM   420  C CD1 . LEU A 1 54  ? -3.769  11.935  8.355  1.00 23.83 ? 54  LEU A CD1 1 
ATOM   421  C CD2 . LEU A 1 54  ? -3.967  10.900  10.613 1.00 20.76 ? 54  LEU A CD2 1 
ATOM   422  N N   . ASP A 1 55  ? -7.255  7.988   8.114  1.00 22.51 ? 55  ASP A N   1 
ATOM   423  C CA  . ASP A 1 55  ? -8.683  8.001   7.809  1.00 22.36 ? 55  ASP A CA  1 
ATOM   424  C C   . ASP A 1 55  ? -9.447  6.903   8.534  1.00 21.91 ? 55  ASP A C   1 
ATOM   425  O O   . ASP A 1 55  ? -10.576 7.116   8.987  1.00 22.39 ? 55  ASP A O   1 
ATOM   426  C CB  . ASP A 1 55  ? -8.888  7.834   6.296  1.00 21.51 ? 55  ASP A CB  1 
ATOM   427  C CG  . ASP A 1 55  ? -8.325  9.005   5.472  1.00 22.64 ? 55  ASP A CG  1 
ATOM   428  O OD1 . ASP A 1 55  ? -8.064  10.090  6.025  1.00 20.82 ? 55  ASP A OD1 1 
ATOM   429  O OD2 . ASP A 1 55  ? -8.165  8.837   4.248  1.00 21.31 ? 55  ASP A OD2 1 
ATOM   430  N N   . CYS A 1 56  ? -8.845  5.727   8.658  1.00 21.10 ? 56  CYS A N   1 
ATOM   431  C CA  . CYS A 1 56  ? -9.587  4.520   8.972  1.00 21.14 ? 56  CYS A CA  1 
ATOM   432  C C   . CYS A 1 56  ? -9.386  4.018   10.389 1.00 19.35 ? 56  CYS A C   1 
ATOM   433  O O   . CYS A 1 56  ? -10.183 3.196   10.845 1.00 25.35 ? 56  CYS A O   1 
ATOM   434  C CB  . CYS A 1 56  ? -9.225  3.397   7.987  1.00 26.31 ? 56  CYS A CB  1 
ATOM   435  S SG  . CYS A 1 56  ? -9.517  3.857   6.255  1.00 22.70 ? 56  CYS A SG  1 
ATOM   436  N N   . ASP A 1 57  ? -8.367  4.486   11.102 1.00 22.86 ? 57  ASP A N   1 
ATOM   437  C CA  . ASP A 1 57  ? -8.160  4.018   12.469 1.00 23.01 ? 57  ASP A CA  1 
ATOM   438  C C   . ASP A 1 57  ? -9.170  4.761   13.332 1.00 27.95 ? 57  ASP A C   1 
ATOM   439  O O   . ASP A 1 57  ? -8.947  5.902   13.749 1.00 25.02 ? 57  ASP A O   1 
ATOM   440  C CB  . ASP A 1 57  ? -6.721  4.270   12.902 1.00 23.65 ? 57  ASP A CB  1 
ATOM   441  C CG  . ASP A 1 57  ? -6.439  3.779   14.301 1.00 28.48 ? 57  ASP A CG  1 
ATOM   442  O OD1 . ASP A 1 57  ? -7.337  3.162   14.908 1.00 30.56 ? 57  ASP A OD1 1 
ATOM   443  O OD2 . ASP A 1 57  ? -5.311  3.993   14.790 1.00 28.55 ? 57  ASP A OD2 1 
ATOM   444  N N   . ARG A 1 58  ? -10.278 4.078   13.630 1.00 21.15 ? 58  ARG A N   1 
ATOM   445  C CA  . ARG A 1 58  ? -11.377 4.679   14.374 1.00 21.58 ? 58  ARG A CA  1 
ATOM   446  C C   . ARG A 1 58  ? -11.038 4.939   15.833 1.00 21.29 ? 58  ARG A C   1 
ATOM   447  O O   . ARG A 1 58  ? -11.741 5.713   16.490 1.00 25.40 ? 58  ARG A O   1 
ATOM   448  C CB  . ARG A 1 58  ? -12.602 3.783   14.237 1.00 22.32 ? 58  ARG A CB  1 
ATOM   449  C CG  . ARG A 1 58  ? -13.194 3.817   12.824 1.00 21.37 ? 58  ARG A CG  1 
ATOM   450  C CD  . ARG A 1 58  ? -14.317 2.819   12.657 1.00 26.36 ? 58  ARG A CD  1 
ATOM   451  N NE  . ARG A 1 58  ? -13.816 1.450   12.654 1.00 24.36 ? 58  ARG A NE  1 
ATOM   452  C CZ  . ARG A 1 58  ? -14.541 0.389   12.325 1.00 27.85 ? 58  ARG A CZ  1 
ATOM   453  N NH1 . ARG A 1 58  ? -15.812 0.500   11.979 1.00 20.28 ? 58  ARG A NH1 1 
ATOM   454  N NH2 . ARG A 1 58  ? -13.980 -0.817  12.367 1.00 29.16 ? 58  ARG A NH2 1 
ATOM   455  N N   . ARG A 1 59  ? -9.984  4.320   16.352 1.00 21.27 ? 59  ARG A N   1 
ATOM   456  C CA  . ARG A 1 59  ? -9.591  4.584   17.728 1.00 24.91 ? 59  ARG A CA  1 
ATOM   457  C C   . ARG A 1 59  ? -8.748  5.846   17.850 1.00 23.98 ? 59  ARG A C   1 
ATOM   458  O O   . ARG A 1 59  ? -8.820  6.538   18.871 1.00 24.11 ? 59  ARG A O   1 
ATOM   459  C CB  . ARG A 1 59  ? -8.828  3.387   18.291 1.00 24.76 ? 59  ARG A CB  1 
ATOM   460  C CG  . ARG A 1 59  ? -9.059  3.181   19.770 1.00 38.79 ? 59  ARG A CG  1 
ATOM   461  C CD  . ARG A 1 59  ? -8.464  1.875   20.247 1.00 51.75 ? 59  ARG A CD  1 
ATOM   462  N NE  . ARG A 1 59  ? -9.254  0.708   19.869 1.00 50.90 ? 59  ARG A NE  1 
ATOM   463  C CZ  . ARG A 1 59  ? -9.105  0.023   18.743 1.00 49.55 ? 59  ARG A CZ  1 
ATOM   464  N NH1 . ARG A 1 59  ? -8.188  0.350   17.846 1.00 50.90 ? 59  ARG A NH1 1 
ATOM   465  N NH2 . ARG A 1 59  ? -9.891  -1.025  18.515 1.00 50.53 ? 59  ARG A NH2 1 
ATOM   466  N N   . SER A 1 60  ? -7.946  6.153   16.834 1.00 23.77 ? 60  SER A N   1 
ATOM   467  C CA  . SER A 1 60  ? -7.133  7.357   16.831 1.00 24.81 ? 60  SER A CA  1 
ATOM   468  C C   . SER A 1 60  ? -7.990  8.553   16.431 1.00 24.28 ? 60  SER A C   1 
ATOM   469  O O   . SER A 1 60  ? -9.191  8.433   16.181 1.00 23.33 ? 60  SER A O   1 
ATOM   470  C CB  . SER A 1 60  ? -5.944  7.182   15.893 1.00 20.01 ? 60  SER A CB  1 
ATOM   471  O OG  . SER A 1 60  ? -4.997  6.271   16.428 1.00 22.60 ? 60  SER A OG  1 
ATOM   472  N N   . TYR A 1 61  ? -7.368  9.723   16.342 1.00 29.18 ? 61  TYR A N   1 
ATOM   473  C CA  . TYR A 1 61  ? -8.116  10.962  16.161 1.00 27.27 ? 61  TYR A CA  1 
ATOM   474  C C   . TYR A 1 61  ? -7.620  11.737  14.943 1.00 26.35 ? 61  TYR A C   1 
ATOM   475  O O   . TYR A 1 61  ? -7.564  12.971  14.951 1.00 26.31 ? 61  TYR A O   1 
ATOM   476  C CB  . TYR A 1 61  ? -8.058  11.801  17.439 1.00 27.00 ? 61  TYR A CB  1 
ATOM   477  C CG  . TYR A 1 61  ? -8.739  11.104  18.615 1.00 34.52 ? 61  TYR A CG  1 
ATOM   478  C CD1 . TYR A 1 61  ? -10.127 11.041  18.708 1.00 29.56 ? 61  TYR A CD1 1 
ATOM   479  C CD2 . TYR A 1 61  ? -7.991  10.460  19.602 1.00 37.83 ? 61  TYR A CD2 1 
ATOM   480  C CE1 . TYR A 1 61  ? -10.747 10.381  19.765 1.00 39.02 ? 61  TYR A CE1 1 
ATOM   481  C CE2 . TYR A 1 61  ? -8.601  9.801   20.663 1.00 30.52 ? 61  TYR A CE2 1 
ATOM   482  C CZ  . TYR A 1 61  ? -9.979  9.762   20.739 1.00 39.55 ? 61  TYR A CZ  1 
ATOM   483  O OH  . TYR A 1 61  ? -10.593 9.110   21.789 1.00 37.36 ? 61  TYR A OH  1 
ATOM   484  N N   . GLY A 1 62  ? -7.273  11.023  13.867 1.00 23.56 ? 62  GLY A N   1 
ATOM   485  C CA  . GLY A 1 62  ? -6.863  11.692  12.637 1.00 22.41 ? 62  GLY A CA  1 
ATOM   486  C C   . GLY A 1 62  ? -5.654  12.580  12.867 1.00 26.06 ? 62  GLY A C   1 
ATOM   487  O O   . GLY A 1 62  ? -4.634  12.145  13.412 1.00 29.08 ? 62  GLY A O   1 
ATOM   488  N N   . CYS A 1 63  ? -5.742  13.834  12.410 1.00 28.43 ? 63  CYS A N   1 
ATOM   489  C CA  . CYS A 1 63  ? -4.654  14.787  12.604 1.00 25.55 ? 63  CYS A CA  1 
ATOM   490  C C   . CYS A 1 63  ? -4.602  15.335  14.013 1.00 21.43 ? 63  CYS A C   1 
ATOM   491  O O   . CYS A 1 63  ? -3.688  16.101  14.329 1.00 26.35 ? 63  CYS A O   1 
ATOM   492  C CB  . CYS A 1 63  ? -4.761  15.983  11.646 1.00 25.20 ? 63  CYS A CB  1 
ATOM   493  S SG  . CYS A 1 63  ? -4.425  15.607  9.933  1.00 39.74 ? 63  CYS A SG  1 
ATOM   494  N N   . ASN A 1 64  ? -5.511  14.934  14.878 1.00 17.42 ? 64  ASN A N   1 
ATOM   495  C CA  . ASN A 1 64  ? -5.433  15.365  16.257 1.00 27.02 ? 64  ASN A CA  1 
ATOM   496  C C   . ASN A 1 64  ? -4.666  14.383  17.124 1.00 29.35 ? 64  ASN A C   1 
ATOM   497  O O   . ASN A 1 64  ? -4.698  14.501  18.354 1.00 38.82 ? 64  ASN A O   1 
ATOM   498  C CB  . ASN A 1 64  ? -6.849  15.560  16.802 1.00 34.08 ? 64  ASN A CB  1 
ATOM   499  C CG  . ASN A 1 64  ? -7.555  16.745  16.168 1.00 37.83 ? 64  ASN A CG  1 
ATOM   500  O OD1 . ASN A 1 64  ? -8.338  16.585  15.227 1.00 39.23 ? 64  ASN A OD1 1 
ATOM   501  N ND2 . ASN A 1 64  ? -7.282  17.940  16.675 1.00 40.36 ? 64  ASN A ND2 1 
ATOM   502  N N   . GLY A 1 65  ? -3.970  13.429  16.518 1.00 25.28 ? 65  GLY A N   1 
ATOM   503  C CA  . GLY A 1 65  ? -3.138  12.491  17.244 1.00 24.30 ? 65  GLY A CA  1 
ATOM   504  C C   . GLY A 1 65  ? -3.760  11.108  17.228 1.00 17.62 ? 65  GLY A C   1 
ATOM   505  O O   . GLY A 1 65  ? -4.862  10.896  16.722 1.00 19.12 ? 65  GLY A O   1 
ATOM   506  N N   . GLY A 1 66  ? -3.037  10.167  17.818 1.00 19.74 ? 66  GLY A N   1 
ATOM   507  C CA  . GLY A 1 66  ? -3.453  8.785   17.738 1.00 15.68 ? 66  GLY A CA  1 
ATOM   508  C C   . GLY A 1 66  ? -2.456  7.867   18.405 1.00 20.06 ? 66  GLY A C   1 
ATOM   509  O O   . GLY A 1 66  ? -1.579  8.303   19.153 1.00 23.40 ? 66  GLY A O   1 
ATOM   510  N N   . TYR A 1 67  ? -2.634  6.573   18.146 1.00 19.92 ? 67  TYR A N   1 
ATOM   511  C CA  . TYR A 1 67  ? -1.954  5.517   18.887 1.00 19.61 ? 67  TYR A CA  1 
ATOM   512  C C   . TYR A 1 67  ? -1.276  4.603   17.880 1.00 23.81 ? 67  TYR A C   1 
ATOM   513  O O   . TYR A 1 67  ? -1.970  3.959   17.067 1.00 20.78 ? 67  TYR A O   1 
ATOM   514  C CB  . TYR A 1 67  ? -2.928  4.731   19.763 1.00 21.49 ? 67  TYR A CB  1 
ATOM   515  C CG  . TYR A 1 67  ? -3.703  5.632   20.665 1.00 20.76 ? 67  TYR A CG  1 
ATOM   516  C CD1 . TYR A 1 67  ? -3.123  6.155   21.811 1.00 31.73 ? 67  TYR A CD1 1 
ATOM   517  C CD2 . TYR A 1 67  ? -5.013  5.983   20.369 1.00 25.41 ? 67  TYR A CD2 1 
ATOM   518  C CE1 . TYR A 1 67  ? -3.827  7.006   22.647 1.00 32.28 ? 67  TYR A CE1 1 
ATOM   519  C CE2 . TYR A 1 67  ? -5.731  6.839   21.201 1.00 26.98 ? 67  TYR A CE2 1 
ATOM   520  C CZ  . TYR A 1 67  ? -5.130  7.342   22.339 1.00 27.03 ? 67  TYR A CZ  1 
ATOM   521  O OH  . TYR A 1 67  ? -5.828  8.185   23.175 1.00 43.31 ? 67  TYR A OH  1 
ATOM   522  N N   . PRO A 1 68  ? 0.044   4.514   17.885 1.00 21.34 ? 68  PRO A N   1 
ATOM   523  C CA  . PRO A 1 68  ? 0.706   3.533   17.021 1.00 17.11 ? 68  PRO A CA  1 
ATOM   524  C C   . PRO A 1 68  ? 0.190   2.127   17.216 1.00 26.38 ? 68  PRO A C   1 
ATOM   525  O O   . PRO A 1 68  ? 0.225   1.321   16.273 1.00 24.72 ? 68  PRO A O   1 
ATOM   526  C CB  . PRO A 1 68  ? 2.173   3.649   17.439 1.00 18.27 ? 68  PRO A CB  1 
ATOM   527  C CG  . PRO A 1 68  ? 2.312   5.027   17.929 1.00 19.75 ? 68  PRO A CG  1 
ATOM   528  C CD  . PRO A 1 68  ? 1.005   5.344   18.623 1.00 20.93 ? 68  PRO A CD  1 
ATOM   529  N N   . TRP A 1 69  ? -0.323  1.806   18.407 1.00 27.04 ? 69  TRP A N   1 
ATOM   530  C CA  . TRP A 1 69  ? -0.797  0.449   18.635 1.00 19.91 ? 69  TRP A CA  1 
ATOM   531  C C   . TRP A 1 69  ? -2.162  0.214   17.991 1.00 21.92 ? 69  TRP A C   1 
ATOM   532  O O   . TRP A 1 69  ? -2.411  -0.868  17.448 1.00 27.42 ? 69  TRP A O   1 
ATOM   533  C CB  . TRP A 1 69  ? -0.810  0.144   20.134 1.00 26.29 ? 69  TRP A CB  1 
ATOM   534  C CG  . TRP A 1 69  ? -1.828  0.888   20.931 1.00 32.93 ? 69  TRP A CG  1 
ATOM   535  C CD1 . TRP A 1 69  ? -1.636  2.038   21.668 1.00 38.46 ? 69  TRP A CD1 1 
ATOM   536  C CD2 . TRP A 1 69  ? -3.200  0.522   21.110 1.00 34.80 ? 69  TRP A CD2 1 
ATOM   537  N NE1 . TRP A 1 69  ? -2.817  2.412   22.279 1.00 36.12 ? 69  TRP A NE1 1 
ATOM   538  C CE2 . TRP A 1 69  ? -3.791  1.502   21.948 1.00 42.78 ? 69  TRP A CE2 1 
ATOM   539  C CE3 . TRP A 1 69  ? -3.991  -0.534  20.636 1.00 36.65 ? 69  TRP A CE3 1 
ATOM   540  C CZ2 . TRP A 1 69  ? -5.135  1.452   22.317 1.00 49.88 ? 69  TRP A CZ2 1 
ATOM   541  C CZ3 . TRP A 1 69  ? -5.325  -0.580  20.999 1.00 41.31 ? 69  TRP A CZ3 1 
ATOM   542  C CH2 . TRP A 1 69  ? -5.882  0.403   21.839 1.00 53.01 ? 69  TRP A CH2 1 
ATOM   543  N N   . SER A 1 70  ? -3.047  1.214   18.000 1.00 26.10 ? 70  SER A N   1 
ATOM   544  C CA  . SER A 1 70  ? -4.298  1.083   17.254 1.00 24.46 ? 70  SER A CA  1 
ATOM   545  C C   . SER A 1 70  ? -4.038  0.984   15.758 1.00 22.18 ? 70  SER A C   1 
ATOM   546  O O   . SER A 1 70  ? -4.712  0.225   15.053 1.00 31.22 ? 70  SER A O   1 
ATOM   547  C CB  . SER A 1 70  ? -5.227  2.257   17.552 1.00 23.62 ? 70  SER A CB  1 
ATOM   548  O OG  . SER A 1 70  ? -4.732  3.450   16.967 1.00 24.51 ? 70  SER A OG  1 
ATOM   549  N N   . ALA A 1 71  ? -3.058  1.733   15.252 1.00 19.53 ? 71  ALA A N   1 
ATOM   550  C CA  . ALA A 1 71  ? -2.728  1.653   13.830 1.00 22.62 ? 71  ALA A CA  1 
ATOM   551  C C   . ALA A 1 71  ? -2.162  0.282   13.468 1.00 21.01 ? 71  ALA A C   1 
ATOM   552  O O   . ALA A 1 71  ? -2.535  -0.312  12.440 1.00 22.21 ? 71  ALA A O   1 
ATOM   553  C CB  . ALA A 1 71  ? -1.745  2.764   13.462 1.00 20.03 ? 71  ALA A CB  1 
ATOM   554  N N   . LEU A 1 72  ? -1.321  -0.280  14.335 1.00 21.16 ? 72  LEU A N   1 
ATOM   555  C CA  . LEU A 1 72  ? -0.786  -1.600  14.026 1.00 23.84 ? 72  LEU A CA  1 
ATOM   556  C C   . LEU A 1 72  ? -1.874  -2.662  14.131 1.00 21.33 ? 72  LEU A C   1 
ATOM   557  O O   . LEU A 1 72  ? -1.919  -3.599  13.322 1.00 26.26 ? 72  LEU A O   1 
ATOM   558  C CB  . LEU A 1 72  ? 0.387   -1.909  14.949 1.00 21.30 ? 72  LEU A CB  1 
ATOM   559  C CG  . LEU A 1 72  ? 1.651   -1.109  14.639 1.00 22.58 ? 72  LEU A CG  1 
ATOM   560  C CD1 . LEU A 1 72  ? 2.705   -1.369  15.696 1.00 21.54 ? 72  LEU A CD1 1 
ATOM   561  C CD2 . LEU A 1 72  ? 2.160   -1.480  13.265 1.00 21.77 ? 72  LEU A CD2 1 
ATOM   562  N N   . GLN A 1 73  ? -2.795  -2.504  15.085 1.00 23.41 ? 73  GLN A N   1 
ATOM   563  C CA  . GLN A 1 73  ? -3.903  -3.443  15.211 1.00 26.99 ? 73  GLN A CA  1 
ATOM   564  C C   . GLN A 1 73  ? -4.861  -3.352  14.021 1.00 27.80 ? 73  GLN A C   1 
ATOM   565  O O   . GLN A 1 73  ? -5.437  -4.369  13.610 1.00 23.51 ? 73  GLN A O   1 
ATOM   566  C CB  . GLN A 1 73  ? -4.608  -3.195  16.552 1.00 37.65 ? 73  GLN A CB  1 
ATOM   567  C CG  . GLN A 1 73  ? -5.963  -3.864  16.749 1.00 42.46 ? 73  GLN A CG  1 
ATOM   568  C CD  . GLN A 1 73  ? -7.091  -2.848  16.983 1.00 57.13 ? 73  GLN A CD  1 
ATOM   569  O OE1 . GLN A 1 73  ? -7.164  -1.801  16.321 1.00 44.22 ? 73  GLN A OE1 1 
ATOM   570  N NE2 . GLN A 1 73  ? -7.970  -3.158  17.937 1.00 39.91 ? 73  GLN A NE2 1 
ATOM   571  N N   . LEU A 1 74  ? -5.024  -2.156  13.444 1.00 25.66 ? 74  LEU A N   1 
ATOM   572  C CA  . LEU A 1 74  ? -5.816  -2.014  12.225 1.00 25.98 ? 74  LEU A CA  1 
ATOM   573  C C   . LEU A 1 74  ? -5.169  -2.748  11.060 1.00 25.40 ? 74  LEU A C   1 
ATOM   574  O O   . LEU A 1 74  ? -5.855  -3.405  10.272 1.00 29.15 ? 74  LEU A O   1 
ATOM   575  C CB  . LEU A 1 74  ? -5.979  -0.536  11.882 1.00 30.98 ? 74  LEU A CB  1 
ATOM   576  C CG  . LEU A 1 74  ? -6.888  -0.118  10.728 1.00 28.61 ? 74  LEU A CG  1 
ATOM   577  C CD1 . LEU A 1 74  ? -8.324  -0.551  10.957 1.00 34.91 ? 74  LEU A CD1 1 
ATOM   578  C CD2 . LEU A 1 74  ? -6.805  1.385   10.544 1.00 34.54 ? 74  LEU A CD2 1 
ATOM   579  N N   . VAL A 1 75  ? -3.847  -2.641  10.933 1.00 25.12 ? 75  VAL A N   1 
ATOM   580  C CA  . VAL A 1 75  ? -3.170  -3.342  9.847  1.00 21.56 ? 75  VAL A CA  1 
ATOM   581  C C   . VAL A 1 75  ? -3.210  -4.845  10.070 1.00 23.15 ? 75  VAL A C   1 
ATOM   582  O O   . VAL A 1 75  ? -3.210  -5.626  9.113  1.00 28.00 ? 75  VAL A O   1 
ATOM   583  C CB  . VAL A 1 75  ? -1.733  -2.835  9.674  1.00 25.34 ? 75  VAL A CB  1 
ATOM   584  C CG1 . VAL A 1 75  ? -1.044  -3.575  8.514  1.00 13.04 ? 75  VAL A CG1 1 
ATOM   585  C CG2 . VAL A 1 75  ? -1.759  -1.343  9.425  1.00 27.01 ? 75  VAL A CG2 1 
ATOM   586  N N   . ALA A 1 76  ? -3.243  -5.283  11.323 1.00 27.45 ? 76  ALA A N   1 
ATOM   587  C CA  . ALA A 1 76  ? -3.322  -6.717  11.559 1.00 23.86 ? 76  ALA A CA  1 
ATOM   588  C C   . ALA A 1 76  ? -4.725  -7.255  11.318 1.00 25.31 ? 76  ALA A C   1 
ATOM   589  O O   . ALA A 1 76  ? -4.874  -8.395  10.859 1.00 27.25 ? 76  ALA A O   1 
ATOM   590  C CB  . ALA A 1 76  ? -2.887  -7.037  12.987 1.00 21.02 ? 76  ALA A CB  1 
ATOM   591  N N   . GLN A 1 77  ? -5.761  -6.455  11.578 1.00 27.50 ? 77  GLN A N   1 
ATOM   592  C CA  . GLN A 1 77  ? -7.121  -6.939  11.362 1.00 29.39 ? 77  GLN A CA  1 
ATOM   593  C C   . GLN A 1 77  ? -7.512  -6.882  9.891  1.00 28.40 ? 77  GLN A C   1 
ATOM   594  O O   . GLN A 1 77  ? -8.093  -7.834  9.362  1.00 34.02 ? 77  GLN A O   1 
ATOM   595  C CB  . GLN A 1 77  ? -8.120  -6.140  12.202 1.00 32.07 ? 77  GLN A CB  1 
ATOM   596  C CG  . GLN A 1 77  ? -9.398  -6.921  12.518 1.00 43.85 ? 77  GLN A CG  1 
ATOM   597  C CD  . GLN A 1 77  ? -10.654 -6.065  12.493 1.00 48.15 ? 77  GLN A CD  1 
ATOM   598  O OE1 . GLN A 1 77  ? -10.686 -4.966  13.052 1.00 41.94 ? 77  GLN A OE1 1 
ATOM   599  N NE2 . GLN A 1 77  ? -11.700 -6.570  11.845 1.00 48.31 ? 77  GLN A NE2 1 
ATOM   600  N N   . TYR A 1 78  ? -7.197  -5.785  9.212  1.00 25.68 ? 78  TYR A N   1 
ATOM   601  C CA  . TYR A 1 78  ? -7.605  -5.596  7.827  1.00 33.47 ? 78  TYR A CA  1 
ATOM   602  C C   . TYR A 1 78  ? -6.401  -5.704  6.891  1.00 35.51 ? 78  TYR A C   1 
ATOM   603  O O   . TYR A 1 78  ? -6.285  -6.675  6.142  1.00 46.26 ? 78  TYR A O   1 
ATOM   604  C CB  . TYR A 1 78  ? -8.336  -4.265  7.639  1.00 33.69 ? 78  TYR A CB  1 
ATOM   605  C CG  . TYR A 1 78  ? -9.604  -4.154  8.458  1.00 39.23 ? 78  TYR A CG  1 
ATOM   606  C CD1 . TYR A 1 78  ? -10.800 -4.703  8.009  1.00 43.55 ? 78  TYR A CD1 1 
ATOM   607  C CD2 . TYR A 1 78  ? -9.614  -3.466  9.661  1.00 46.78 ? 78  TYR A CD2 1 
ATOM   608  C CE1 . TYR A 1 78  ? -11.961 -4.594  8.757  1.00 46.87 ? 78  TYR A CE1 1 
ATOM   609  C CE2 . TYR A 1 78  ? -10.769 -3.343  10.411 1.00 46.92 ? 78  TYR A CE2 1 
ATOM   610  C CZ  . TYR A 1 78  ? -11.939 -3.904  9.957  1.00 52.13 ? 78  TYR A CZ  1 
ATOM   611  O OH  . TYR A 1 78  ? -13.081 -3.776  10.718 1.00 52.59 ? 78  TYR A OH  1 
ATOM   612  N N   . GLY A 1 79  ? -5.513  -4.746  6.925  1.00 24.91 ? 79  GLY A N   1 
ATOM   613  C CA  . GLY A 1 79  ? -4.389  -4.717  6.021  1.00 23.67 ? 79  GLY A CA  1 
ATOM   614  C C   . GLY A 1 79  ? -4.055  -3.268  5.757  1.00 20.61 ? 79  GLY A C   1 
ATOM   615  O O   . GLY A 1 79  ? -4.582  -2.369  6.400  1.00 25.80 ? 79  GLY A O   1 
ATOM   616  N N   . ILE A 1 80  ? -3.212  -3.042  4.761  1.00 23.02 ? 80  ILE A N   1 
ATOM   617  C CA  . ILE A 1 80  ? -2.805  -1.679  4.459  1.00 19.09 ? 80  ILE A CA  1 
ATOM   618  C C   . ILE A 1 80  ? -2.522  -1.621  2.975  1.00 18.81 ? 80  ILE A C   1 
ATOM   619  O O   . ILE A 1 80  ? -2.097  -2.610  2.367  1.00 20.37 ? 80  ILE A O   1 
ATOM   620  C CB  . ILE A 1 80  ? -1.583  -1.254  5.312  1.00 18.34 ? 80  ILE A CB  1 
ATOM   621  C CG1 . ILE A 1 80  ? -1.347  0.261   5.232  1.00 15.70 ? 80  ILE A CG1 1 
ATOM   622  C CG2 . ILE A 1 80  ? -0.351  -2.016  4.873  1.00 16.28 ? 80  ILE A CG2 1 
ATOM   623  C CD1 . ILE A 1 80  ? -0.403  0.791   6.301  1.00 14.81 ? 80  ILE A CD1 1 
ATOM   624  N N   . HIS A 1 81  ? -2.796  -0.462  2.386  1.00 18.77 ? 81  HIS A N   1 
ATOM   625  C CA  . HIS A 1 81  ? -2.543  -0.256  0.971  1.00 18.28 ? 81  HIS A CA  1 
ATOM   626  C C   . HIS A 1 81  ? -1.169  0.344   0.734  1.00 18.57 ? 81  HIS A C   1 
ATOM   627  O O   . HIS A 1 81  ? -0.560  0.947   1.622  1.00 17.79 ? 81  HIS A O   1 
ATOM   628  C CB  . HIS A 1 81  ? -3.598  0.667   0.372  1.00 19.43 ? 81  HIS A CB  1 
ATOM   629  C CG  . HIS A 1 81  ? -4.930  0.024   0.192  1.00 19.80 ? 81  HIS A CG  1 
ATOM   630  N ND1 . HIS A 1 81  ? -5.912  0.069   1.157  1.00 21.31 ? 81  HIS A ND1 1 
ATOM   631  C CD2 . HIS A 1 81  ? -5.445  -0.681  -0.841 1.00 22.30 ? 81  HIS A CD2 1 
ATOM   632  C CE1 . HIS A 1 81  ? -6.977  -0.582  0.725  1.00 29.09 ? 81  HIS A CE1 1 
ATOM   633  N NE2 . HIS A 1 81  ? -6.720  -1.046  -0.485 1.00 26.24 ? 81  HIS A NE2 1 
ATOM   634  N N   . TYR A 1 82  ? -0.698  0.186   -0.499 1.00 17.05 ? 82  TYR A N   1 
ATOM   635  C CA  . TYR A 1 82  ? 0.522   0.843   -0.932 1.00 17.17 ? 82  TYR A CA  1 
ATOM   636  C C   . TYR A 1 82  ? 0.343   2.349   -0.853 1.00 20.08 ? 82  TYR A C   1 
ATOM   637  O O   . TYR A 1 82  ? -0.775  2.865   -0.936 1.00 21.26 ? 82  TYR A O   1 
ATOM   638  C CB  . TYR A 1 82  ? 0.874   0.449   -2.370 1.00 17.16 ? 82  TYR A CB  1 
ATOM   639  C CG  . TYR A 1 82  ? 1.368   -0.970  -2.510 1.00 26.11 ? 82  TYR A CG  1 
ATOM   640  C CD1 . TYR A 1 82  ? 2.396   -1.458  -1.697 1.00 28.18 ? 82  TYR A CD1 1 
ATOM   641  C CD2 . TYR A 1 82  ? 0.809   -1.833  -3.454 1.00 22.06 ? 82  TYR A CD2 1 
ATOM   642  C CE1 . TYR A 1 82  ? 2.856   -2.764  -1.821 1.00 24.46 ? 82  TYR A CE1 1 
ATOM   643  C CE2 . TYR A 1 82  ? 1.264   -3.148  -3.580 1.00 30.70 ? 82  TYR A CE2 1 
ATOM   644  C CZ  . TYR A 1 82  ? 2.284   -3.606  -2.756 1.00 32.11 ? 82  TYR A CZ  1 
ATOM   645  O OH  . TYR A 1 82  ? 2.739   -4.901  -2.868 1.00 35.56 ? 82  TYR A OH  1 
ATOM   646  N N   . ARG A 1 83  ? 1.452   3.054   -0.633 1.00 17.17 ? 83  ARG A N   1 
ATOM   647  C CA  . ARG A 1 83  ? 1.384   4.507   -0.569 1.00 19.24 ? 83  ARG A CA  1 
ATOM   648  C C   . ARG A 1 83  ? 0.872   5.102   -1.879 1.00 23.73 ? 83  ARG A C   1 
ATOM   649  O O   . ARG A 1 83  ? 0.175   6.123   -1.864 1.00 23.62 ? 83  ARG A O   1 
ATOM   650  C CB  . ARG A 1 83  ? 2.759   5.083   -0.243 1.00 26.00 ? 83  ARG A CB  1 
ATOM   651  C CG  . ARG A 1 83  ? 2.719   6.471   0.349  1.00 21.75 ? 83  ARG A CG  1 
ATOM   652  C CD  . ARG A 1 83  ? 4.111   6.949   0.657  1.00 35.55 ? 83  ARG A CD  1 
ATOM   653  N NE  . ARG A 1 83  ? 4.098   8.009   1.655  1.00 44.12 ? 83  ARG A NE  1 
ATOM   654  C CZ  . ARG A 1 83  ? 4.593   9.220   1.451  1.00 39.30 ? 83  ARG A CZ  1 
ATOM   655  N NH1 . ARG A 1 83  ? 5.187   9.539   0.312  1.00 44.78 ? 83  ARG A NH1 1 
ATOM   656  N NH2 . ARG A 1 83  ? 4.501   10.128  2.416  1.00 32.75 ? 83  ARG A NH2 1 
ATOM   657  N N   . ASN A 1 84  ? 1.223   4.491   -3.018 1.00 27.98 ? 84  ASN A N   1 
ATOM   658  C CA  . ASN A 1 84  ? 0.727   4.951   -4.316 1.00 31.26 ? 84  ASN A CA  1 
ATOM   659  C C   . ASN A 1 84  ? -0.794  4.874   -4.393 1.00 24.14 ? 84  ASN A C   1 
ATOM   660  O O   . ASN A 1 84  ? -1.446  5.790   -4.907 1.00 26.55 ? 84  ASN A O   1 
ATOM   661  C CB  . ASN A 1 84  ? 1.338   4.111   -5.442 1.00 31.42 ? 84  ASN A CB  1 
ATOM   662  C CG  . ASN A 1 84  ? 2.719   4.577   -5.841 1.00 47.79 ? 84  ASN A CG  1 
ATOM   663  O OD1 . ASN A 1 84  ? 2.923   5.100   -6.941 1.00 45.92 ? 84  ASN A OD1 1 
ATOM   664  N ND2 . ASN A 1 84  ? 3.685   4.385   -4.949 1.00 53.04 ? 84  ASN A ND2 1 
ATOM   665  N N   . THR A 1 85  ? -1.372  3.773   -3.908 1.00 18.69 ? 85  THR A N   1 
ATOM   666  C CA  . THR A 1 85  ? -2.819  3.584   -3.973 1.00 22.75 ? 85  THR A CA  1 
ATOM   667  C C   . THR A 1 85  ? -3.564  4.547   -3.059 1.00 19.96 ? 85  THR A C   1 
ATOM   668  O O   . THR A 1 85  ? -4.701  4.926   -3.360 1.00 23.56 ? 85  THR A O   1 
ATOM   669  C CB  . THR A 1 85  ? -3.169  2.133   -3.630 1.00 23.76 ? 85  THR A CB  1 
ATOM   670  O OG1 . THR A 1 85  ? -2.393  1.257   -4.457 1.00 22.38 ? 85  THR A OG1 1 
ATOM   671  C CG2 . THR A 1 85  ? -4.653  1.845   -3.832 1.00 23.39 ? 85  THR A CG2 1 
ATOM   672  N N   . TYR A 1 86  ? -2.947  4.967   -1.956 1.00 18.98 ? 86  TYR A N   1 
ATOM   673  C CA  . TYR A 1 86  ? -3.629  5.719   -0.897 1.00 15.69 ? 86  TYR A CA  1 
ATOM   674  C C   . TYR A 1 86  ? -2.642  6.758   -0.382 1.00 17.92 ? 86  TYR A C   1 
ATOM   675  O O   . TYR A 1 86  ? -2.118  6.650   0.729  1.00 16.52 ? 86  TYR A O   1 
ATOM   676  C CB  . TYR A 1 86  ? -4.114  4.765   0.198  1.00 16.12 ? 86  TYR A CB  1 
ATOM   677  C CG  . TYR A 1 86  ? -5.296  5.220   1.043  1.00 17.84 ? 86  TYR A CG  1 
ATOM   678  C CD1 . TYR A 1 86  ? -5.519  6.557   1.319  1.00 18.84 ? 86  TYR A CD1 1 
ATOM   679  C CD2 . TYR A 1 86  ? -6.176  4.290   1.584  1.00 23.14 ? 86  TYR A CD2 1 
ATOM   680  C CE1 . TYR A 1 86  ? -6.603  6.958   2.109  1.00 23.20 ? 86  TYR A CE1 1 
ATOM   681  C CE2 . TYR A 1 86  ? -7.247  4.673   2.367  1.00 18.45 ? 86  TYR A CE2 1 
ATOM   682  C CZ  . TYR A 1 86  ? -7.456  6.004   2.631  1.00 21.78 ? 86  TYR A CZ  1 
ATOM   683  O OH  . TYR A 1 86  ? -8.522  6.380   3.413  1.00 23.92 ? 86  TYR A OH  1 
ATOM   684  N N   . PRO A 1 87  ? -2.352  7.783   -1.189 1.00 22.83 ? 87  PRO A N   1 
ATOM   685  C CA  . PRO A 1 87  ? -1.255  8.698   -0.856 1.00 16.38 ? 87  PRO A CA  1 
ATOM   686  C C   . PRO A 1 87  ? -1.592  9.630   0.291  1.00 13.37 ? 87  PRO A C   1 
ATOM   687  O O   . PRO A 1 87  ? -2.752  9.832   0.653  1.00 14.01 ? 87  PRO A O   1 
ATOM   688  C CB  . PRO A 1 87  ? -1.058  9.501   -2.150 1.00 14.09 ? 87  PRO A CB  1 
ATOM   689  C CG  . PRO A 1 87  ? -2.367  9.424   -2.831 1.00 16.11 ? 87  PRO A CG  1 
ATOM   690  C CD  . PRO A 1 87  ? -2.864  8.039   -2.546 1.00 17.31 ? 87  PRO A CD  1 
ATOM   691  N N   . TYR A 1 88  ? -0.537  10.229  0.838  1.00 13.16 ? 88  TYR A N   1 
ATOM   692  C CA  . TYR A 1 88  ? -0.655  11.072  2.016  1.00 14.98 ? 88  TYR A CA  1 
ATOM   693  C C   . TYR A 1 88  ? -1.139  12.463  1.633  1.00 19.46 ? 88  TYR A C   1 
ATOM   694  O O   . TYR A 1 88  ? -0.589  13.096  0.727  1.00 18.77 ? 88  TYR A O   1 
ATOM   695  C CB  . TYR A 1 88  ? 0.683   11.185  2.749  1.00 16.71 ? 88  TYR A CB  1 
ATOM   696  C CG  . TYR A 1 88  ? 0.582   11.982  4.033  1.00 21.91 ? 88  TYR A CG  1 
ATOM   697  C CD1 . TYR A 1 88  ? -0.218  11.560  5.095  1.00 20.61 ? 88  TYR A CD1 1 
ATOM   698  C CD2 . TYR A 1 88  ? 1.266   13.188  4.167  1.00 21.12 ? 88  TYR A CD2 1 
ATOM   699  C CE1 . TYR A 1 88  ? -0.314  12.317  6.264  1.00 21.51 ? 88  TYR A CE1 1 
ATOM   700  C CE2 . TYR A 1 88  ? 1.182   13.946  5.340  1.00 25.87 ? 88  TYR A CE2 1 
ATOM   701  C CZ  . TYR A 1 88  ? 0.391   13.502  6.379  1.00 22.30 ? 88  TYR A CZ  1 
ATOM   702  O OH  . TYR A 1 88  ? 0.298   14.252  7.527  1.00 22.81 ? 88  TYR A OH  1 
ATOM   703  N N   . GLU A 1 89  ? -2.174  12.934  2.324  1.00 19.65 ? 89  GLU A N   1 
ATOM   704  C CA  . GLU A 1 89  ? -2.781  14.215  2.019  1.00 25.32 ? 89  GLU A CA  1 
ATOM   705  C C   . GLU A 1 89  ? -2.636  15.234  3.138  1.00 29.98 ? 89  GLU A C   1 
ATOM   706  O O   . GLU A 1 89  ? -2.898  16.420  2.903  1.00 34.72 ? 89  GLU A O   1 
ATOM   707  C CB  . GLU A 1 89  ? -4.272  14.042  1.696  1.00 30.44 ? 89  GLU A CB  1 
ATOM   708  C CG  . GLU A 1 89  ? -4.555  13.012  0.608  1.00 27.93 ? 89  GLU A CG  1 
ATOM   709  C CD  . GLU A 1 89  ? -6.033  12.955  0.242  1.00 27.42 ? 89  GLU A CD  1 
ATOM   710  O OE1 . GLU A 1 89  ? -6.589  14.001  -0.166 1.00 27.46 ? 89  GLU A OE1 1 
ATOM   711  O OE2 . GLU A 1 89  ? -6.646  11.883  0.400  1.00 17.99 ? 89  GLU A OE2 1 
ATOM   712  N N   . GLY A 1 90  ? -2.203  14.821  4.331  1.00 25.07 ? 90  GLY A N   1 
ATOM   713  C CA  . GLY A 1 90  ? -1.960  15.761  5.408  1.00 25.74 ? 90  GLY A CA  1 
ATOM   714  C C   . GLY A 1 90  ? -3.217  16.278  6.064  1.00 27.95 ? 90  GLY A C   1 
ATOM   715  O O   . GLY A 1 90  ? -3.166  17.263  6.811  1.00 29.29 ? 90  GLY A O   1 
ATOM   716  N N   . VAL A 1 91  ? -4.342  15.613  5.838  1.00 21.19 ? 91  VAL A N   1 
ATOM   717  C CA  . VAL A 1 91  ? -5.618  15.980  6.431  1.00 25.95 ? 91  VAL A CA  1 
ATOM   718  C C   . VAL A 1 91  ? -6.440  14.712  6.547  1.00 22.94 ? 91  VAL A C   1 
ATOM   719  O O   . VAL A 1 91  ? -6.321  13.811  5.712  1.00 25.93 ? 91  VAL A O   1 
ATOM   720  C CB  . VAL A 1 91  ? -6.349  17.035  5.571  1.00 32.68 ? 91  VAL A CB  1 
ATOM   721  C CG1 . VAL A 1 91  ? -6.571  16.500  4.143  1.00 24.41 ? 91  VAL A CG1 1 
ATOM   722  C CG2 . VAL A 1 91  ? -7.674  17.422  6.205  1.00 31.77 ? 91  VAL A CG2 1 
ATOM   723  N N   . GLN A 1 92  ? -7.227  14.596  7.608  1.00 16.78 ? 92  GLN A N   1 
ATOM   724  C CA  . GLN A 1 92  ? -8.062  13.412  7.712  1.00 22.61 ? 92  GLN A CA  1 
ATOM   725  C C   . GLN A 1 92  ? -9.234  13.526  6.748  1.00 20.30 ? 92  GLN A C   1 
ATOM   726  O O   . GLN A 1 92  ? -9.868  14.577  6.632  1.00 25.80 ? 92  GLN A O   1 
ATOM   727  C CB  . GLN A 1 92  ? -8.576  13.200  9.128  1.00 22.94 ? 92  GLN A CB  1 
ATOM   728  C CG  . GLN A 1 92  ? -9.301  11.878  9.252  1.00 14.46 ? 92  GLN A CG  1 
ATOM   729  C CD  . GLN A 1 92  ? -9.899  11.670  10.621 1.00 17.22 ? 92  GLN A CD  1 
ATOM   730  O OE1 . GLN A 1 92  ? -10.559 12.557  11.163 1.00 17.92 ? 92  GLN A OE1 1 
ATOM   731  N NE2 . GLN A 1 92  ? -9.703  10.480  11.178 1.00 20.78 ? 92  GLN A NE2 1 
ATOM   732  N N   . ARG A 1 93  ? -9.510  12.437  6.048  1.00 18.85 ? 93  ARG A N   1 
ATOM   733  C CA  . ARG A 1 93  ? -10.615 12.349  5.108  1.00 23.58 ? 93  ARG A CA  1 
ATOM   734  C C   . ARG A 1 93  ? -11.420 11.100  5.424  1.00 26.06 ? 93  ARG A C   1 
ATOM   735  O O   . ARG A 1 93  ? -11.138 10.378  6.384  1.00 29.91 ? 93  ARG A O   1 
ATOM   736  C CB  . ARG A 1 93  ? -10.128 12.347  3.658  1.00 19.73 ? 93  ARG A CB  1 
ATOM   737  C CG  . ARG A 1 93  ? -9.426  13.630  3.289  1.00 19.54 ? 93  ARG A CG  1 
ATOM   738  C CD  . ARG A 1 93  ? -9.038  13.600  1.862  1.00 15.53 ? 93  ARG A CD  1 
ATOM   739  N NE  . ARG A 1 93  ? -10.221 13.511  1.015  1.00 18.39 ? 93  ARG A NE  1 
ATOM   740  C CZ  . ARG A 1 93  ? -10.190 13.470  -0.310 1.00 26.55 ? 93  ARG A CZ  1 
ATOM   741  N NH1 . ARG A 1 93  ? -9.043  13.499  -0.978 1.00 21.34 ? 93  ARG A NH1 1 
ATOM   742  N NH2 . ARG A 1 93  ? -11.339 13.421  -0.982 1.00 21.82 ? 93  ARG A NH2 1 
ATOM   743  N N   . TYR A 1 94  ? -12.424 10.841  4.597  1.00 28.86 ? 94  TYR A N   1 
ATOM   744  C CA  . TYR A 1 94  ? -13.219 9.636   4.754  1.00 31.16 ? 94  TYR A CA  1 
ATOM   745  C C   . TYR A 1 94  ? -12.337 8.408   4.569  1.00 20.27 ? 94  TYR A C   1 
ATOM   746  O O   . TYR A 1 94  ? -11.353 8.427   3.826  1.00 25.85 ? 94  TYR A O   1 
ATOM   747  C CB  . TYR A 1 94  ? -14.327 9.630   3.692  1.00 52.32 ? 94  TYR A CB  1 
ATOM   748  C CG  . TYR A 1 94  ? -15.723 9.334   4.185  1.00 79.81 ? 94  TYR A CG  1 
ATOM   749  C CD1 . TYR A 1 94  ? -16.406 10.242  4.993  1.00 80.96 ? 94  TYR A CD1 1 
ATOM   750  C CD2 . TYR A 1 94  ? -16.373 8.154   3.819  1.00 77.31 ? 94  TYR A CD2 1 
ATOM   751  C CE1 . TYR A 1 94  ? -17.693 9.973   5.443  1.00 88.48 ? 94  TYR A CE1 1 
ATOM   752  C CE2 . TYR A 1 94  ? -17.658 7.875   4.264  1.00 82.97 ? 94  TYR A CE2 1 
ATOM   753  C CZ  . TYR A 1 94  ? -18.314 8.788   5.075  1.00 89.76 ? 94  TYR A CZ  1 
ATOM   754  O OH  . TYR A 1 94  ? -19.591 8.519   5.520  1.00 70.56 ? 94  TYR A OH  1 
ATOM   755  N N   . CYS A 1 95  ? -12.685 7.336   5.267  1.00 20.92 ? 95  CYS A N   1 
ATOM   756  C CA  . CYS A 1 95  ? -11.992 6.073   5.074  1.00 18.61 ? 95  CYS A CA  1 
ATOM   757  C C   . CYS A 1 95  ? -12.283 5.525   3.694  1.00 20.87 ? 95  CYS A C   1 
ATOM   758  O O   . CYS A 1 95  ? -13.440 5.261   3.355  1.00 24.65 ? 95  CYS A O   1 
ATOM   759  C CB  . CYS A 1 95  ? -12.399 5.048   6.131  1.00 21.94 ? 95  CYS A CB  1 
ATOM   760  S SG  . CYS A 1 95  ? -11.498 3.464   5.924  1.00 30.30 ? 95  CYS A SG  1 
ATOM   761  N N   . ARG A 1 96  ? -11.236 5.355   2.898  1.00 19.37 ? 96  ARG A N   1 
ATOM   762  C CA  . ARG A 1 96  ? -11.377 4.927   1.516  1.00 19.77 ? 96  ARG A CA  1 
ATOM   763  C C   . ARG A 1 96  ? -10.724 3.577   1.280  1.00 23.78 ? 96  ARG A C   1 
ATOM   764  O O   . ARG A 1 96  ? -10.203 3.315   0.197  1.00 29.45 ? 96  ARG A O   1 
ATOM   765  C CB  . ARG A 1 96  ? -10.827 5.989   0.571  1.00 18.68 ? 96  ARG A CB  1 
ATOM   766  C CG  . ARG A 1 96  ? -11.644 7.262   0.606  1.00 20.05 ? 96  ARG A CG  1 
ATOM   767  C CD  . ARG A 1 96  ? -10.855 8.418   0.081  1.00 20.02 ? 96  ARG A CD  1 
ATOM   768  N NE  . ARG A 1 96  ? -9.988  8.941   1.125  1.00 18.30 ? 96  ARG A NE  1 
ATOM   769  C CZ  . ARG A 1 96  ? -8.951  9.727   0.894  1.00 16.96 ? 96  ARG A CZ  1 
ATOM   770  N NH1 . ARG A 1 96  ? -8.598  10.051  -0.338 1.00 18.94 ? 96  ARG A NH1 1 
ATOM   771  N NH2 . ARG A 1 96  ? -8.250  10.196  1.923  1.00 20.91 ? 96  ARG A NH2 1 
ATOM   772  N N   . SER A 1 97  ? -10.739 2.712   2.293  1.00 29.44 ? 97  SER A N   1 
ATOM   773  C CA  . SER A 1 97  ? -10.078 1.421   2.154  1.00 29.84 ? 97  SER A CA  1 
ATOM   774  C C   . SER A 1 97  ? -10.847 0.513   1.206  1.00 26.80 ? 97  SER A C   1 
ATOM   775  O O   . SER A 1 97  ? -10.244 -0.169  0.372  1.00 32.49 ? 97  SER A O   1 
ATOM   776  C CB  . SER A 1 97  ? -9.925  0.751   3.517  1.00 30.72 ? 97  SER A CB  1 
ATOM   777  O OG  . SER A 1 97  ? -9.675  1.705   4.523  1.00 33.23 ? 97  SER A OG  1 
ATOM   778  N N   . ARG A 1 98  ? -12.175 0.483   1.319  1.00 31.64 ? 98  ARG A N   1 
ATOM   779  C CA  . ARG A 1 98  ? -12.941 -0.405  0.452  1.00 38.28 ? 98  ARG A CA  1 
ATOM   780  C C   . ARG A 1 98  ? -12.873 0.039   -0.999 1.00 33.96 ? 98  ARG A C   1 
ATOM   781  O O   . ARG A 1 98  ? -12.856 -0.808  -1.899 1.00 37.43 ? 98  ARG A O   1 
ATOM   782  C CB  . ARG A 1 98  ? -14.397 -0.484  0.902  1.00 36.89 ? 98  ARG A CB  1 
ATOM   783  C CG  . ARG A 1 98  ? -14.615 -0.078  2.341  1.00 57.59 ? 98  ARG A CG  1 
ATOM   784  C CD  . ARG A 1 98  ? -14.248 -1.196  3.309  1.00 64.52 ? 98  ARG A CD  1 
ATOM   785  N NE  . ARG A 1 98  ? -15.026 -2.413  3.094  1.00 72.76 ? 98  ARG A NE  1 
ATOM   786  C CZ  . ARG A 1 98  ? -16.327 -2.537  3.327  1.00 69.12 ? 98  ARG A CZ  1 
ATOM   787  N NH1 . ARG A 1 98  ? -17.057 -1.516  3.749  1.00 64.55 ? 98  ARG A NH1 1 
ATOM   788  N NH2 . ARG A 1 98  ? -16.912 -3.717  3.134  1.00 64.08 ? 98  ARG A NH2 1 
ATOM   789  N N   . GLU A 1 99  ? -12.821 1.346   -1.251 1.00 31.77 ? 99  GLU A N   1 
ATOM   790  C CA  . GLU A 1 99  ? -12.844 1.807   -2.629 1.00 29.76 ? 99  GLU A CA  1 
ATOM   791  C C   . GLU A 1 99  ? -11.495 1.702   -3.320 1.00 30.64 ? 99  GLU A C   1 
ATOM   792  O O   . GLU A 1 99  ? -11.410 1.981   -4.519 1.00 38.61 ? 99  GLU A O   1 
ATOM   793  C CB  . GLU A 1 99  ? -13.231 3.285   -2.673 1.00 35.57 ? 99  GLU A CB  1 
ATOM   794  C CG  . GLU A 1 99  ? -14.623 3.674   -2.279 1.00 41.42 ? 99  GLU A CG  1 
ATOM   795  C CD  . GLU A 1 99  ? -14.859 5.140   -2.589 1.00 51.93 ? 99  GLU A CD  1 
ATOM   796  O OE1 . GLU A 1 99  ? -14.347 5.983   -1.818 1.00 39.34 ? 99  GLU A OE1 1 
ATOM   797  O OE2 . GLU A 1 99  ? -15.556 5.450   -3.585 1.00 40.88 ? 99  GLU A OE2 1 
ATOM   798  N N   . LYS A 1 100 ? -10.449 1.265   -2.625 1.00 33.13 ? 100 LYS A N   1 
ATOM   799  C CA  . LYS A 1 100 ? -9.123  1.203   -3.220 1.00 25.54 ? 100 LYS A CA  1 
ATOM   800  C C   . LYS A 1 100 ? -8.651  -0.226  -3.440 1.00 28.96 ? 100 LYS A C   1 
ATOM   801  O O   . LYS A 1 100 ? -7.451  -0.463  -3.608 1.00 33.41 ? 100 LYS A O   1 
ATOM   802  C CB  . LYS A 1 100 ? -8.141  2.020   -2.375 1.00 24.94 ? 100 LYS A CB  1 
ATOM   803  C CG  . LYS A 1 100 ? -8.413  3.513   -2.521 1.00 27.68 ? 100 LYS A CG  1 
ATOM   804  C CD  . LYS A 1 100 ? -7.570  4.346   -1.623 1.00 22.32 ? 100 LYS A CD  1 
ATOM   805  C CE  . LYS A 1 100 ? -7.873  5.833   -1.789 1.00 18.95 ? 100 LYS A CE  1 
ATOM   806  N NZ  . LYS A 1 100 ? -7.215  6.377   -2.999 1.00 20.05 ? 100 LYS A NZ  1 
ATOM   807  N N   . GLY A 1 101 ? -9.571  -1.178  -3.484 1.00 28.30 ? 101 GLY A N   1 
ATOM   808  C CA  . GLY A 1 101 ? -9.204  -2.526  -3.821 1.00 26.41 ? 101 GLY A CA  1 
ATOM   809  C C   . GLY A 1 101 ? -8.626  -3.304  -2.657 1.00 31.21 ? 101 GLY A C   1 
ATOM   810  O O   . GLY A 1 101 ? -8.599  -2.846  -1.511 1.00 27.73 ? 101 GLY A O   1 
ATOM   811  N N   . PRO A 1 102 ? -8.127  -4.501  -2.950 1.00 35.17 ? 102 PRO A N   1 
ATOM   812  C CA  . PRO A 1 102 ? -7.607  -5.360  -1.884 1.00 36.48 ? 102 PRO A CA  1 
ATOM   813  C C   . PRO A 1 102 ? -6.430  -4.688  -1.204 1.00 31.77 ? 102 PRO A C   1 
ATOM   814  O O   . PRO A 1 102 ? -5.704  -3.900  -1.813 1.00 34.33 ? 102 PRO A O   1 
ATOM   815  C CB  . PRO A 1 102 ? -7.162  -6.629  -2.627 1.00 29.79 ? 102 PRO A CB  1 
ATOM   816  C CG  . PRO A 1 102 ? -7.106  -6.238  -4.088 1.00 27.43 ? 102 PRO A CG  1 
ATOM   817  C CD  . PRO A 1 102 ? -8.115  -5.165  -4.267 1.00 34.44 ? 102 PRO A CD  1 
ATOM   818  N N   . TYR A 1 103 ? -6.256  -4.996  0.077  1.00 29.04 ? 103 TYR A N   1 
ATOM   819  C CA  . TYR A 1 103 ? -5.103  -4.487  0.800  1.00 27.96 ? 103 TYR A CA  1 
ATOM   820  C C   . TYR A 1 103 ? -3.821  -4.978  0.130  1.00 22.10 ? 103 TYR A C   1 
ATOM   821  O O   . TYR A 1 103 ? -3.799  -6.017  -0.530 1.00 26.62 ? 103 TYR A O   1 
ATOM   822  C CB  . TYR A 1 103 ? -5.174  -4.902  2.275  1.00 28.17 ? 103 TYR A CB  1 
ATOM   823  C CG  . TYR A 1 103 ? -5.192  -6.405  2.523  1.00 34.14 ? 103 TYR A CG  1 
ATOM   824  C CD1 . TYR A 1 103 ? -4.051  -7.187  2.312  1.00 30.24 ? 103 TYR A CD1 1 
ATOM   825  C CD2 . TYR A 1 103 ? -6.340  -7.038  2.993  1.00 37.28 ? 103 TYR A CD2 1 
ATOM   826  C CE1 . TYR A 1 103 ? -4.061  -8.555  2.541  1.00 31.79 ? 103 TYR A CE1 1 
ATOM   827  C CE2 . TYR A 1 103 ? -6.359  -8.409  3.238  1.00 44.09 ? 103 TYR A CE2 1 
ATOM   828  C CZ  . TYR A 1 103 ? -5.216  -9.164  3.009  1.00 46.56 ? 103 TYR A CZ  1 
ATOM   829  O OH  . TYR A 1 103 ? -5.226  -10.530 3.239  1.00 35.57 ? 103 TYR A OH  1 
ATOM   830  N N   . ALA A 1 104 ? -2.747  -4.215  0.298  1.00 19.18 ? 104 ALA A N   1 
ATOM   831  C CA  . ALA A 1 104 ? -1.459  -4.595  -0.271 1.00 18.45 ? 104 ALA A CA  1 
ATOM   832  C C   . ALA A 1 104 ? -0.661  -5.502  0.659  1.00 22.44 ? 104 ALA A C   1 
ATOM   833  O O   . ALA A 1 104 ? 0.095   -6.358  0.183  1.00 19.57 ? 104 ALA A O   1 
ATOM   834  C CB  . ALA A 1 104 ? -0.645  -3.344  -0.617 1.00 20.43 ? 104 ALA A CB  1 
ATOM   835  N N   . ALA A 1 105 ? -0.787  -5.314  1.970  1.00 19.37 ? 105 ALA A N   1 
ATOM   836  C CA  . ALA A 1 105 ? -0.058  -6.112  2.941  1.00 18.22 ? 105 ALA A CA  1 
ATOM   837  C C   . ALA A 1 105 ? -0.942  -6.239  4.166  1.00 23.55 ? 105 ALA A C   1 
ATOM   838  O O   . ALA A 1 105 ? -1.839  -5.423  4.393  1.00 28.46 ? 105 ALA A O   1 
ATOM   839  C CB  . ALA A 1 105 ? 1.288   -5.487  3.315  1.00 23.59 ? 105 ALA A CB  1 
ATOM   840  N N   . LYS A 1 106 ? -0.694  -7.280  4.948  1.00 15.42 ? 106 LYS A N   1 
ATOM   841  C CA  . LYS A 1 106 ? -1.436  -7.493  6.180  1.00 20.63 ? 106 LYS A CA  1 
ATOM   842  C C   . LYS A 1 106 ? -0.506  -8.162  7.175  1.00 27.82 ? 106 LYS A C   1 
ATOM   843  O O   . LYS A 1 106 ? 0.314   -9.006  6.799  1.00 29.18 ? 106 LYS A O   1 
ATOM   844  C CB  . LYS A 1 106 ? -2.699  -8.332  5.932  1.00 21.56 ? 106 LYS A CB  1 
ATOM   845  C CG  . LYS A 1 106 ? -3.590  -8.529  7.139  1.00 24.90 ? 106 LYS A CG  1 
ATOM   846  C CD  . LYS A 1 106 ? -4.767  -9.426  6.797  1.00 23.69 ? 106 LYS A CD  1 
ATOM   847  C CE  . LYS A 1 106 ? -5.543  -9.849  8.030  1.00 34.18 ? 106 LYS A CE  1 
ATOM   848  N NZ  . LYS A 1 106 ? -4.664  -10.331 9.147  1.00 25.96 ? 106 LYS A NZ  1 
ATOM   849  N N   . THR A 1 107 ? -0.628  -7.784  8.434  1.00 22.13 ? 107 THR A N   1 
ATOM   850  C CA  . THR A 1 107 ? 0.173   -8.384  9.478  1.00 20.22 ? 107 THR A CA  1 
ATOM   851  C C   . THR A 1 107 ? -0.719  -9.292  10.306 1.00 24.72 ? 107 THR A C   1 
ATOM   852  O O   . THR A 1 107 ? -1.914  -9.445  10.045 1.00 27.50 ? 107 THR A O   1 
ATOM   853  C CB  . THR A 1 107 ? 0.818   -7.312  10.360 1.00 19.94 ? 107 THR A CB  1 
ATOM   854  O OG1 . THR A 1 107 ? -0.198  -6.441  10.867 1.00 21.34 ? 107 THR A OG1 1 
ATOM   855  C CG2 . THR A 1 107 ? 1.814   -6.482  9.559  1.00 19.10 ? 107 THR A CG2 1 
ATOM   856  N N   . ASP A 1 108 ? -0.128  -9.911  11.314 1.00 23.88 ? 108 ASP A N   1 
ATOM   857  C CA  . ASP A 1 108 ? -0.843  -10.895 12.101 1.00 26.50 ? 108 ASP A CA  1 
ATOM   858  C C   . ASP A 1 108 ? -1.061  -10.465 13.539 1.00 22.60 ? 108 ASP A C   1 
ATOM   859  O O   . ASP A 1 108 ? -1.759  -11.166 14.277 1.00 30.76 ? 108 ASP A O   1 
ATOM   860  C CB  . ASP A 1 108 ? -0.112  -12.242 12.046 1.00 26.30 ? 108 ASP A CB  1 
ATOM   861  C CG  . ASP A 1 108 ? -0.045  -12.782 10.625 1.00 44.82 ? 108 ASP A CG  1 
ATOM   862  O OD1 . ASP A 1 108 ? -1.124  -12.957 10.017 1.00 33.12 ? 108 ASP A OD1 1 
ATOM   863  O OD2 . ASP A 1 108 ? 1.072   -13.032 10.119 1.00 42.96 ? 108 ASP A OD2 1 
ATOM   864  N N   . GLY A 1 109 ? -0.499  -9.336  13.952 1.00 23.65 ? 109 GLY A N   1 
ATOM   865  C CA  . GLY A 1 109 ? -0.746  -8.873  15.299 1.00 24.65 ? 109 GLY A CA  1 
ATOM   866  C C   . GLY A 1 109 ? 0.200   -7.752  15.673 1.00 21.51 ? 109 GLY A C   1 
ATOM   867  O O   . GLY A 1 109 ? 0.928   -7.222  14.834 1.00 17.67 ? 109 GLY A O   1 
ATOM   868  N N   . VAL A 1 110 ? 0.202   -7.443  16.971 1.00 22.53 ? 110 VAL A N   1 
ATOM   869  C CA  . VAL A 1 110 ? 0.982   -6.351  17.540 1.00 19.72 ? 110 VAL A CA  1 
ATOM   870  C C   . VAL A 1 110 ? 1.507   -6.794  18.894 1.00 19.10 ? 110 VAL A C   1 
ATOM   871  O O   . VAL A 1 110 ? 0.729   -7.250  19.736 1.00 21.15 ? 110 VAL A O   1 
ATOM   872  C CB  . VAL A 1 110 ? 0.126   -5.084  17.741 1.00 19.41 ? 110 VAL A CB  1 
ATOM   873  C CG1 . VAL A 1 110 ? 0.986   -3.928  18.186 1.00 22.67 ? 110 VAL A CG1 1 
ATOM   874  C CG2 . VAL A 1 110 ? -0.684  -4.746  16.514 1.00 23.72 ? 110 VAL A CG2 1 
ATOM   875  N N   . ARG A 1 111 ? 2.814   -6.636  19.118 1.00 19.46 ? 111 ARG A N   1 
ATOM   876  C CA  . ARG A 1 111 ? 3.433   -6.887  20.416 1.00 24.13 ? 111 ARG A CA  1 
ATOM   877  C C   . ARG A 1 111 ? 3.974   -5.583  20.989 1.00 22.54 ? 111 ARG A C   1 
ATOM   878  O O   . ARG A 1 111 ? 4.498   -4.740  20.251 1.00 21.04 ? 111 ARG A O   1 
ATOM   879  C CB  . ARG A 1 111 ? 4.572   -7.912  20.313 1.00 25.74 ? 111 ARG A CB  1 
ATOM   880  C CG  . ARG A 1 111 ? 4.182   -9.229  19.661 1.00 27.11 ? 111 ARG A CG  1 
ATOM   881  C CD  . ARG A 1 111 ? 4.318   -10.407 20.614 1.00 34.71 ? 111 ARG A CD  1 
ATOM   882  N NE  . ARG A 1 111 ? 3.440   -11.506 20.224 1.00 48.37 ? 111 ARG A NE  1 
ATOM   883  C CZ  . ARG A 1 111 ? 3.676   -12.360 19.235 1.00 49.98 ? 111 ARG A CZ  1 
ATOM   884  N NH1 . ARG A 1 111 ? 4.800   -12.320 18.533 1.00 38.25 ? 111 ARG A NH1 1 
ATOM   885  N NH2 . ARG A 1 111 ? 2.760   -13.280 18.943 1.00 51.88 ? 111 ARG A NH2 1 
ATOM   886  N N   . GLN A 1 112 ? 3.854   -5.418  22.305 1.00 23.30 ? 112 GLN A N   1 
ATOM   887  C CA  . GLN A 1 112 ? 4.439   -4.274  22.995 1.00 20.84 ? 112 GLN A CA  1 
ATOM   888  C C   . GLN A 1 112 ? 5.773   -4.681  23.601 1.00 17.29 ? 112 GLN A C   1 
ATOM   889  O O   . GLN A 1 112 ? 5.897   -5.750  24.203 1.00 24.33 ? 112 GLN A O   1 
ATOM   890  C CB  . GLN A 1 112 ? 3.519   -3.714  24.082 1.00 19.99 ? 112 GLN A CB  1 
ATOM   891  C CG  . GLN A 1 112 ? 4.050   -2.419  24.691 1.00 21.47 ? 112 GLN A CG  1 
ATOM   892  C CD  . GLN A 1 112 ? 3.114   -1.788  25.712 1.00 24.98 ? 112 GLN A CD  1 
ATOM   893  O OE1 . GLN A 1 112 ? 2.016   -2.285  25.970 1.00 24.72 ? 112 GLN A OE1 1 
ATOM   894  N NE2 . GLN A 1 112 ? 3.545   -0.671  26.286 1.00 20.53 ? 112 GLN A NE2 1 
ATOM   895  N N   . VAL A 1 113 ? 6.766   -3.810  23.459 1.00 22.52 ? 113 VAL A N   1 
ATOM   896  C CA  . VAL A 1 113 ? 8.013   -3.974  24.190 1.00 16.43 ? 113 VAL A CA  1 
ATOM   897  C C   . VAL A 1 113 ? 7.761   -3.688  25.661 1.00 18.70 ? 113 VAL A C   1 
ATOM   898  O O   . VAL A 1 113 ? 6.937   -2.830  26.010 1.00 22.04 ? 113 VAL A O   1 
ATOM   899  C CB  . VAL A 1 113 ? 9.073   -3.011  23.628 1.00 20.02 ? 113 VAL A CB  1 
ATOM   900  C CG1 . VAL A 1 113 ? 10.405  -3.227  24.309 1.00 21.60 ? 113 VAL A CG1 1 
ATOM   901  C CG2 . VAL A 1 113 ? 9.168   -3.111  22.108 1.00 15.90 ? 113 VAL A CG2 1 
ATOM   902  N N   . GLN A 1 114 ? 8.449   -4.417  26.538 1.00 20.68 ? 114 GLN A N   1 
ATOM   903  C CA  . GLN A 1 114 ? 8.332   -4.132  27.964 1.00 22.10 ? 114 GLN A CA  1 
ATOM   904  C C   . GLN A 1 114 ? 8.783   -2.702  28.222 1.00 20.81 ? 114 GLN A C   1 
ATOM   905  O O   . GLN A 1 114 ? 9.949   -2.372  27.949 1.00 26.12 ? 114 GLN A O   1 
ATOM   906  C CB  . GLN A 1 114 ? 9.160   -5.081  28.816 1.00 26.16 ? 114 GLN A CB  1 
ATOM   907  C CG  . GLN A 1 114 ? 9.080   -4.703  30.293 1.00 34.14 ? 114 GLN A CG  1 
ATOM   908  C CD  . GLN A 1 114 ? 10.182  -5.308  31.130 1.00 44.62 ? 114 GLN A CD  1 
ATOM   909  O OE1 . GLN A 1 114 ? 10.630  -4.707  32.113 1.00 39.89 ? 114 GLN A OE1 1 
ATOM   910  N NE2 . GLN A 1 114 ? 10.624  -6.508  30.755 1.00 38.01 ? 114 GLN A NE2 1 
ATOM   911  N N   . PRO A 1 115 ? 7.918   -1.827  28.721 1.00 18.24 ? 115 PRO A N   1 
ATOM   912  C CA  . PRO A 1 115 ? 8.301   -0.419  28.846 1.00 21.22 ? 115 PRO A CA  1 
ATOM   913  C C   . PRO A 1 115 ? 9.393   -0.241  29.882 1.00 21.23 ? 115 PRO A C   1 
ATOM   914  O O   . PRO A 1 115 ? 9.608   -1.081  30.755 1.00 27.77 ? 115 PRO A O   1 
ATOM   915  C CB  . PRO A 1 115 ? 7.005   0.270   29.281 1.00 19.77 ? 115 PRO A CB  1 
ATOM   916  C CG  . PRO A 1 115 ? 6.182   -0.816  29.888 1.00 25.98 ? 115 PRO A CG  1 
ATOM   917  C CD  . PRO A 1 115 ? 6.547   -2.087  29.188 1.00 22.87 ? 115 PRO A CD  1 
ATOM   918  N N   . TYR A 1 116 ? 10.097  0.878   29.759 1.00 23.57 ? 116 TYR A N   1 
ATOM   919  C CA  . TYR A 1 116 ? 11.093  1.287   30.744 1.00 20.79 ? 116 TYR A CA  1 
ATOM   920  C C   . TYR A 1 116 ? 12.186  0.242   30.884 1.00 17.77 ? 116 TYR A C   1 
ATOM   921  O O   . TYR A 1 116 ? 12.682  -0.032  31.976 1.00 35.76 ? 116 TYR A O   1 
ATOM   922  C CB  . TYR A 1 116 ? 10.459  1.652   32.086 1.00 24.61 ? 116 TYR A CB  1 
ATOM   923  C CG  . TYR A 1 116 ? 9.344   2.647   31.904 1.00 25.10 ? 116 TYR A CG  1 
ATOM   924  C CD1 . TYR A 1 116 ? 9.627   3.892   31.372 1.00 22.06 ? 116 TYR A CD1 1 
ATOM   925  C CD2 . TYR A 1 116 ? 8.042   2.386   32.311 1.00 24.99 ? 116 TYR A CD2 1 
ATOM   926  C CE1 . TYR A 1 116 ? 8.643   4.844   31.196 1.00 36.28 ? 116 TYR A CE1 1 
ATOM   927  C CE2 . TYR A 1 116 ? 7.038   3.344   32.141 1.00 23.02 ? 116 TYR A CE2 1 
ATOM   928  C CZ  . TYR A 1 116 ? 7.353   4.575   31.586 1.00 31.99 ? 116 TYR A CZ  1 
ATOM   929  O OH  . TYR A 1 116 ? 6.398   5.552   31.398 1.00 35.05 ? 116 TYR A OH  1 
ATOM   930  N N   . ASN A 1 117 ? 12.579  -0.330  29.755 1.00 19.20 ? 117 ASN A N   1 
ATOM   931  C CA  . ASN A 1 117 ? 13.521  -1.438  29.750 1.00 17.30 ? 117 ASN A CA  1 
ATOM   932  C C   . ASN A 1 117 ? 14.335  -1.287  28.473 1.00 20.64 ? 117 ASN A C   1 
ATOM   933  O O   . ASN A 1 117 ? 13.854  -1.649  27.395 1.00 17.34 ? 117 ASN A O   1 
ATOM   934  C CB  . ASN A 1 117 ? 12.790  -2.775  29.802 1.00 20.21 ? 117 ASN A CB  1 
ATOM   935  C CG  . ASN A 1 117 ? 13.729  -3.957  29.930 1.00 15.46 ? 117 ASN A CG  1 
ATOM   936  O OD1 . ASN A 1 117 ? 14.834  -3.953  29.397 1.00 24.16 ? 117 ASN A OD1 1 
ATOM   937  N ND2 . ASN A 1 117 ? 13.273  -4.996  30.598 1.00 27.65 ? 117 ASN A ND2 1 
ATOM   938  N N   . GLU A 1 118 ? 15.567  -0.781  28.606 1.00 23.22 ? 118 GLU A N   1 
ATOM   939  C CA  . GLU A 1 118 ? 16.388  -0.501  27.428 1.00 18.91 ? 118 GLU A CA  1 
ATOM   940  C C   . GLU A 1 118 ? 16.678  -1.781  26.651 1.00 21.61 ? 118 GLU A C   1 
ATOM   941  O O   . GLU A 1 118 ? 16.489  -1.843  25.431 1.00 20.27 ? 118 GLU A O   1 
ATOM   942  C CB  . GLU A 1 118 ? 17.690  0.177   27.853 1.00 18.29 ? 118 GLU A CB  1 
ATOM   943  C CG  . GLU A 1 118 ? 18.668  0.448   26.717 1.00 23.04 ? 118 GLU A CG  1 
ATOM   944  C CD  . GLU A 1 118 ? 19.832  1.328   27.163 1.00 30.95 ? 118 GLU A CD  1 
ATOM   945  O OE1 . GLU A 1 118 ? 19.581  2.445   27.678 1.00 27.06 ? 118 GLU A OE1 1 
ATOM   946  O OE2 . GLU A 1 118 ? 20.998  0.890   27.015 1.00 17.78 ? 118 GLU A OE2 1 
ATOM   947  N N   . GLY A 1 119 ? 17.098  -2.832  27.348 1.00 23.17 ? 119 GLY A N   1 
ATOM   948  C CA  . GLY A 1 119 ? 17.433  -4.059  26.652 1.00 16.63 ? 119 GLY A CA  1 
ATOM   949  C C   . GLY A 1 119 ? 16.246  -4.657  25.927 1.00 19.43 ? 119 GLY A C   1 
ATOM   950  O O   . GLY A 1 119 ? 16.390  -5.200  24.829 1.00 17.01 ? 119 GLY A O   1 
ATOM   951  N N   . ALA A 1 120 ? 15.047  -4.545  26.510 1.00 18.96 ? 120 ALA A N   1 
ATOM   952  C CA  . ALA A 1 120 ? 13.883  -5.089  25.815 1.00 18.86 ? 120 ALA A CA  1 
ATOM   953  C C   . ALA A 1 120 ? 13.659  -4.353  24.503 1.00 15.87 ? 120 ALA A C   1 
ATOM   954  O O   . ALA A 1 120 ? 13.399  -4.974  23.464 1.00 13.54 ? 120 ALA A O   1 
ATOM   955  C CB  . ALA A 1 120 ? 12.635  -4.997  26.699 1.00 16.32 ? 120 ALA A CB  1 
ATOM   956  N N   . LEU A 1 121 ? 13.838  -3.035  24.514 1.00 15.32 ? 121 LEU A N   1 
ATOM   957  C CA  . LEU A 1 121 ? 13.670  -2.290  23.281 1.00 15.28 ? 121 LEU A CA  1 
ATOM   958  C C   . LEU A 1 121 ? 14.786  -2.622  22.301 1.00 15.99 ? 121 LEU A C   1 
ATOM   959  O O   . LEU A 1 121 ? 14.519  -2.854  21.113 1.00 19.07 ? 121 LEU A O   1 
ATOM   960  C CB  . LEU A 1 121 ? 13.631  -0.788  23.562 1.00 15.44 ? 121 LEU A CB  1 
ATOM   961  C CG  . LEU A 1 121 ? 13.551  0.066   22.292 1.00 13.01 ? 121 LEU A CG  1 
ATOM   962  C CD1 . LEU A 1 121 ? 12.284  -0.259  21.490 1.00 14.09 ? 121 LEU A CD1 1 
ATOM   963  C CD2 . LEU A 1 121 ? 13.641  1.542   22.604 1.00 12.66 ? 121 LEU A CD2 1 
ATOM   964  N N   . LEU A 1 122 ? 16.033  -2.716  22.784 1.00 12.85 ? 122 LEU A N   1 
ATOM   965  C CA  . LEU A 1 122 ? 17.129  -3.084  21.886 1.00 19.13 ? 122 LEU A CA  1 
ATOM   966  C C   . LEU A 1 122 ? 16.894  -4.445  21.256 1.00 16.30 ? 122 LEU A C   1 
ATOM   967  O O   . LEU A 1 122 ? 17.121  -4.627  20.054 1.00 18.27 ? 122 LEU A O   1 
ATOM   968  C CB  . LEU A 1 122 ? 18.469  -3.093  22.614 1.00 14.65 ? 122 LEU A CB  1 
ATOM   969  C CG  . LEU A 1 122 ? 18.921  -1.783  23.239 1.00 15.96 ? 122 LEU A CG  1 
ATOM   970  C CD1 . LEU A 1 122 ? 20.234  -1.988  23.968 1.00 22.91 ? 122 LEU A CD1 1 
ATOM   971  C CD2 . LEU A 1 122 ? 19.005  -0.679  22.232 1.00 15.83 ? 122 LEU A CD2 1 
ATOM   972  N N   . TYR A 1 123 ? 16.403  -5.399  22.046 1.00 16.17 ? 123 TYR A N   1 
ATOM   973  C CA  . TYR A 1 123 ? 16.117  -6.724  21.520 1.00 14.80 ? 123 TYR A CA  1 
ATOM   974  C C   . TYR A 1 123 ? 15.107  -6.652  20.382 1.00 15.67 ? 123 TYR A C   1 
ATOM   975  O O   . TYR A 1 123 ? 15.301  -7.270  19.329 1.00 21.02 ? 123 TYR A O   1 
ATOM   976  C CB  . TYR A 1 123 ? 15.602  -7.628  22.643 1.00 18.87 ? 123 TYR A CB  1 
ATOM   977  C CG  . TYR A 1 123 ? 15.321  -9.019  22.159 1.00 21.20 ? 123 TYR A CG  1 
ATOM   978  C CD1 . TYR A 1 123 ? 16.359  -9.923  21.955 1.00 20.49 ? 123 TYR A CD1 1 
ATOM   979  C CD2 . TYR A 1 123 ? 14.026  -9.416  21.849 1.00 20.80 ? 123 TYR A CD2 1 
ATOM   980  C CE1 . TYR A 1 123 ? 16.108  -11.208 21.488 1.00 30.40 ? 123 TYR A CE1 1 
ATOM   981  C CE2 . TYR A 1 123 ? 13.762  -10.692 21.372 1.00 26.17 ? 123 TYR A CE2 1 
ATOM   982  C CZ  . TYR A 1 123 ? 14.801  -11.585 21.193 1.00 32.38 ? 123 TYR A CZ  1 
ATOM   983  O OH  . TYR A 1 123 ? 14.526  -12.853 20.726 1.00 35.59 ? 123 TYR A OH  1 
ATOM   984  N N   . SER A 1 124 ? 14.028  -5.885  20.566 1.00 13.75 ? 124 SER A N   1 
ATOM   985  C CA  . SER A 1 124 ? 13.017  -5.755  19.517 1.00 14.86 ? 124 SER A CA  1 
ATOM   986  C C   . SER A 1 124 ? 13.565  -5.048  18.285 1.00 16.38 ? 124 SER A C   1 
ATOM   987  O O   . SER A 1 124 ? 13.102  -5.309  17.170 1.00 20.88 ? 124 SER A O   1 
ATOM   988  C CB  . SER A 1 124 ? 11.793  -5.001  20.038 1.00 18.08 ? 124 SER A CB  1 
ATOM   989  O OG  . SER A 1 124 ? 11.041  -5.779  20.955 1.00 27.98 ? 124 SER A OG  1 
ATOM   990  N N   . ILE A 1 125 ? 14.529  -4.140  18.461 1.00 17.83 ? 125 ILE A N   1 
ATOM   991  C CA  . ILE A 1 125 ? 15.098  -3.463  17.301 1.00 17.36 ? 125 ILE A CA  1 
ATOM   992  C C   . ILE A 1 125 ? 16.032  -4.395  16.553 1.00 18.17 ? 125 ILE A C   1 
ATOM   993  O O   . ILE A 1 125 ? 16.116  -4.350  15.318 1.00 18.56 ? 125 ILE A O   1 
ATOM   994  C CB  . ILE A 1 125 ? 15.852  -2.180  17.708 1.00 16.32 ? 125 ILE A CB  1 
ATOM   995  C CG1 . ILE A 1 125 ? 14.926  -1.168  18.387 1.00 19.47 ? 125 ILE A CG1 1 
ATOM   996  C CG2 . ILE A 1 125 ? 16.522  -1.563  16.493 1.00 19.58 ? 125 ILE A CG2 1 
ATOM   997  C CD1 . ILE A 1 125 ? 15.662  -0.048  19.072 1.00 15.10 ? 125 ILE A CD1 1 
ATOM   998  N N   . ALA A 1 126 ? 16.745  -5.258  17.272 1.00 18.02 ? 126 ALA A N   1 
ATOM   999  C CA  . ALA A 1 126 ? 17.584  -6.217  16.578 1.00 13.44 ? 126 ALA A CA  1 
ATOM   1000 C C   . ALA A 1 126 ? 16.763  -7.126  15.677 1.00 18.31 ? 126 ALA A C   1 
ATOM   1001 O O   . ALA A 1 126 ? 17.315  -7.710  14.739 1.00 24.54 ? 126 ALA A O   1 
ATOM   1002 C CB  . ALA A 1 126 ? 18.405  -7.008  17.589 1.00 15.45 ? 126 ALA A CB  1 
ATOM   1003 N N   . ASN A 1 127 ? 15.453  -7.240  15.920 1.00 18.85 ? 127 ASN A N   1 
ATOM   1004 C CA  . ASN A 1 127 ? 14.593  -8.089  15.102 1.00 21.09 ? 127 ASN A CA  1 
ATOM   1005 C C   . ASN A 1 127 ? 13.860  -7.328  14.010 1.00 22.37 ? 127 ASN A C   1 
ATOM   1006 O O   . ASN A 1 127 ? 13.581  -7.911  12.957 1.00 22.04 ? 127 ASN A O   1 
ATOM   1007 C CB  . ASN A 1 127 ? 13.555  -8.822  15.965 1.00 17.29 ? 127 ASN A CB  1 
ATOM   1008 C CG  . ASN A 1 127 ? 14.191  -9.767  16.978 1.00 28.17 ? 127 ASN A CG  1 
ATOM   1009 O OD1 . ASN A 1 127 ? 15.397  -10.012 16.951 1.00 30.67 ? 127 ASN A OD1 1 
ATOM   1010 N ND2 . ASN A 1 127 ? 13.380  -10.284 17.895 1.00 28.51 ? 127 ASN A ND2 1 
ATOM   1011 N N   . GLN A 1 128 ? 13.548  -6.054  14.223 1.00 18.33 ? 128 GLN A N   1 
ATOM   1012 C CA  . GLN A 1 128 ? 12.743  -5.283  13.283 1.00 15.47 ? 128 GLN A CA  1 
ATOM   1013 C C   . GLN A 1 128 ? 12.679  -3.844  13.776 1.00 17.71 ? 128 GLN A C   1 
ATOM   1014 O O   . GLN A 1 128 ? 12.943  -3.582  14.951 1.00 19.58 ? 128 GLN A O   1 
ATOM   1015 C CB  . GLN A 1 128 ? 11.320  -5.859  13.155 1.00 13.59 ? 128 GLN A CB  1 
ATOM   1016 C CG  . GLN A 1 128 ? 10.493  -5.682  14.409 1.00 16.50 ? 128 GLN A CG  1 
ATOM   1017 C CD  . GLN A 1 128 ? 9.295   -6.570  14.453 1.00 18.60 ? 128 GLN A CD  1 
ATOM   1018 O OE1 . GLN A 1 128 ? 9.278   -7.571  15.164 1.00 24.76 ? 128 GLN A OE1 1 
ATOM   1019 N NE2 . GLN A 1 128 ? 8.275   -6.222  13.689 1.00 24.85 ? 128 GLN A NE2 1 
ATOM   1020 N N   . PRO A 1 129 ? 12.331  -2.902  12.895 1.00 18.56 ? 129 PRO A N   1 
ATOM   1021 C CA  . PRO A 1 129 ? 12.041  -1.531  13.342 1.00 15.45 ? 129 PRO A CA  1 
ATOM   1022 C C   . PRO A 1 129 ? 10.868  -1.527  14.317 1.00 14.61 ? 129 PRO A C   1 
ATOM   1023 O O   . PRO A 1 129 ? 9.931   -2.318  14.196 1.00 19.18 ? 129 PRO A O   1 
ATOM   1024 C CB  . PRO A 1 129 ? 11.679  -0.806  12.041 1.00 8.66  ? 129 PRO A CB  1 
ATOM   1025 C CG  . PRO A 1 129 ? 12.411  -1.581  10.991 1.00 16.98 ? 129 PRO A CG  1 
ATOM   1026 C CD  . PRO A 1 129 ? 12.344  -3.008  11.427 1.00 12.58 ? 129 PRO A CD  1 
ATOM   1027 N N   . VAL A 1 130 ? 10.917  -0.628  15.289 1.00 12.36 ? 130 VAL A N   1 
ATOM   1028 C CA  . VAL A 1 130 ? 9.968   -0.616  16.397 1.00 12.11 ? 130 VAL A CA  1 
ATOM   1029 C C   . VAL A 1 130 ? 9.343   0.770   16.455 1.00 12.84 ? 130 VAL A C   1 
ATOM   1030 O O   . VAL A 1 130 ? 10.015  1.774   16.213 1.00 13.09 ? 130 VAL A O   1 
ATOM   1031 C CB  . VAL A 1 130 ? 10.678  -0.958  17.736 1.00 14.32 ? 130 VAL A CB  1 
ATOM   1032 C CG1 . VAL A 1 130 ? 9.730   -0.863  18.929 1.00 13.30 ? 130 VAL A CG1 1 
ATOM   1033 C CG2 . VAL A 1 130 ? 11.286  -2.344  17.684 1.00 21.66 ? 130 VAL A CG2 1 
ATOM   1034 N N   . SER A 1 131 ? 8.049   0.829   16.733 1.00 13.72 ? 131 SER A N   1 
ATOM   1035 C CA  . SER A 1 131 ? 7.403   2.114   16.950 1.00 13.00 ? 131 SER A CA  1 
ATOM   1036 C C   . SER A 1 131 ? 7.667   2.559   18.378 1.00 13.27 ? 131 SER A C   1 
ATOM   1037 O O   . SER A 1 131 ? 7.399   1.805   19.316 1.00 18.59 ? 131 SER A O   1 
ATOM   1038 C CB  . SER A 1 131 ? 5.900   2.016   16.673 1.00 15.14 ? 131 SER A CB  1 
ATOM   1039 O OG  . SER A 1 131 ? 5.218   3.161   17.146 1.00 15.18 ? 131 SER A OG  1 
ATOM   1040 N N   . VAL A 1 132 ? 8.187   3.777   18.552 1.00 14.65 ? 132 VAL A N   1 
ATOM   1041 C CA  . VAL A 1 132 ? 8.504   4.287   19.882 1.00 17.13 ? 132 VAL A CA  1 
ATOM   1042 C C   . VAL A 1 132 ? 7.937   5.690   19.985 1.00 16.15 ? 132 VAL A C   1 
ATOM   1043 O O   . VAL A 1 132 ? 7.575   6.315   18.988 1.00 24.82 ? 132 VAL A O   1 
ATOM   1044 C CB  . VAL A 1 132 ? 10.026  4.304   20.180 1.00 21.92 ? 132 VAL A CB  1 
ATOM   1045 C CG1 . VAL A 1 132 ? 10.615  2.891   20.104 1.00 20.40 ? 132 VAL A CG1 1 
ATOM   1046 C CG2 . VAL A 1 132 ? 10.763  5.242   19.236 1.00 14.31 ? 132 VAL A CG2 1 
ATOM   1047 N N   . VAL A 1 133 ? 7.840   6.183   21.207 1.00 18.92 ? 133 VAL A N   1 
ATOM   1048 C CA  . VAL A 1 133 ? 7.349   7.534   21.425 1.00 17.46 ? 133 VAL A CA  1 
ATOM   1049 C C   . VAL A 1 133 ? 8.409   8.294   22.208 1.00 21.70 ? 133 VAL A C   1 
ATOM   1050 O O   . VAL A 1 133 ? 9.285   7.708   22.851 1.00 19.71 ? 133 VAL A O   1 
ATOM   1051 C CB  . VAL A 1 133 ? 5.995   7.540   22.171 1.00 16.50 ? 133 VAL A CB  1 
ATOM   1052 C CG1 . VAL A 1 133 ? 4.940   6.822   21.339 1.00 21.93 ? 133 VAL A CG1 1 
ATOM   1053 C CG2 . VAL A 1 133 ? 6.126   6.898   23.535 1.00 22.66 ? 133 VAL A CG2 1 
ATOM   1054 N N   . LEU A 1 134 ? 8.342   9.614   22.126 1.00 14.01 ? 134 LEU A N   1 
ATOM   1055 C CA  . LEU A 1 134 ? 9.306   10.435  22.843 1.00 20.97 ? 134 LEU A CA  1 
ATOM   1056 C C   . LEU A 1 134 ? 8.713   11.826  23.019 1.00 20.87 ? 134 LEU A C   1 
ATOM   1057 O O   . LEU A 1 134 ? 7.680   12.175  22.427 1.00 18.09 ? 134 LEU A O   1 
ATOM   1058 C CB  . LEU A 1 134 ? 10.676  10.459  22.140 1.00 15.81 ? 134 LEU A CB  1 
ATOM   1059 C CG  . LEU A 1 134 ? 10.754  10.790  20.655 1.00 15.07 ? 134 LEU A CG  1 
ATOM   1060 C CD1 . LEU A 1 134 ? 10.478  12.257  20.391 1.00 18.88 ? 134 LEU A CD1 1 
ATOM   1061 C CD2 . LEU A 1 134 ? 12.111  10.412  20.108 1.00 23.16 ? 134 LEU A CD2 1 
ATOM   1062 N N   . GLU A 1 135 ? 9.387   12.605  23.854 1.00 13.15 ? 135 GLU A N   1 
ATOM   1063 C CA  . GLU A 1 135 ? 9.078   14.013  24.049 1.00 23.37 ? 135 GLU A CA  1 
ATOM   1064 C C   . GLU A 1 135 ? 9.817   14.801  22.983 1.00 23.91 ? 135 GLU A C   1 
ATOM   1065 O O   . GLU A 1 135 ? 11.047  14.911  23.035 1.00 22.31 ? 135 GLU A O   1 
ATOM   1066 C CB  . GLU A 1 135 ? 9.600   14.554  25.365 1.00 26.08 ? 135 GLU A CB  1 
ATOM   1067 C CG  . GLU A 1 135 ? 9.158   15.995  25.486 1.00 32.83 ? 135 GLU A CG  1 
ATOM   1068 C CD  . GLU A 1 135 ? 10.019  16.757  26.459 1.00 39.75 ? 135 GLU A CD  1 
ATOM   1069 O OE1 . GLU A 1 135 ? 9.619   17.801  27.020 1.00 45.68 ? 135 GLU A OE1 1 
ATOM   1070 O OE2 . GLU A 1 135 ? 11.223  16.422  26.455 1.00 41.23 ? 135 GLU A OE2 1 
ATOM   1071 N N   . ALA A 1 136 ? 9.084   15.363  22.030 1.00 19.75 ? 136 ALA A N   1 
ATOM   1072 C CA  . ALA A 1 136 ? 9.673   16.163  20.968 1.00 19.37 ? 136 ALA A CA  1 
ATOM   1073 C C   . ALA A 1 136 ? 9.386   17.648  21.123 1.00 20.35 ? 136 ALA A C   1 
ATOM   1074 O O   . ALA A 1 136 ? 9.813   18.437  20.273 1.00 28.66 ? 136 ALA A O   1 
ATOM   1075 C CB  . ALA A 1 136 ? 9.178   15.678  19.601 1.00 19.24 ? 136 ALA A CB  1 
ATOM   1076 N N   . ALA A 1 137 ? 8.677   18.059  22.178 1.00 28.86 ? 137 ALA A N   1 
ATOM   1077 C CA  . ALA A 1 137 ? 8.237   19.452  22.273 1.00 30.48 ? 137 ALA A CA  1 
ATOM   1078 C C   . ALA A 1 137 ? 9.380   20.420  22.576 1.00 28.87 ? 137 ALA A C   1 
ATOM   1079 O O   . ALA A 1 137 ? 9.296   21.598  22.213 1.00 25.95 ? 137 ALA A O   1 
ATOM   1080 C CB  . ALA A 1 137 ? 7.151   19.572  23.340 1.00 25.93 ? 137 ALA A CB  1 
ATOM   1081 N N   . GLY A 1 138 ? 10.453  19.952  23.209 1.00 24.24 ? 138 GLY A N   1 
ATOM   1082 C CA  . GLY A 1 138 ? 11.543  20.845  23.574 1.00 20.49 ? 138 GLY A CA  1 
ATOM   1083 C C   . GLY A 1 138 ? 12.280  21.394  22.363 1.00 24.83 ? 138 GLY A C   1 
ATOM   1084 O O   . GLY A 1 138 ? 12.509  20.694  21.377 1.00 29.13 ? 138 GLY A O   1 
ATOM   1085 N N   . LYS A 1 139 ? 12.667  22.669  22.453 1.00 25.56 ? 139 LYS A N   1 
ATOM   1086 C CA  . LYS A 1 139 ? 13.416  23.301  21.369 1.00 28.80 ? 139 LYS A CA  1 
ATOM   1087 C C   . LYS A 1 139 ? 14.641  22.484  21.000 1.00 27.42 ? 139 LYS A C   1 
ATOM   1088 O O   . LYS A 1 139 ? 15.001  22.388  19.823 1.00 32.16 ? 139 LYS A O   1 
ATOM   1089 C CB  . LYS A 1 139 ? 13.843  24.721  21.765 1.00 24.59 ? 139 LYS A CB  1 
ATOM   1090 C CG  . LYS A 1 139 ? 13.074  25.838  21.090 1.00 28.72 ? 139 LYS A CG  1 
ATOM   1091 N N   . ASP A 1 140 ? 15.290  21.881  21.996 1.00 21.95 ? 140 ASP A N   1 
ATOM   1092 C CA  . ASP A 1 140 ? 16.550  21.194  21.753 1.00 18.66 ? 140 ASP A CA  1 
ATOM   1093 C C   . ASP A 1 140 ? 16.356  20.027  20.802 1.00 21.45 ? 140 ASP A C   1 
ATOM   1094 O O   . ASP A 1 140 ? 17.190  19.791  19.922 1.00 21.76 ? 140 ASP A O   1 
ATOM   1095 C CB  . ASP A 1 140 ? 17.124  20.758  23.088 1.00 24.35 ? 140 ASP A CB  1 
ATOM   1096 C CG  . ASP A 1 140 ? 17.543  21.948  23.916 1.00 39.88 ? 140 ASP A CG  1 
ATOM   1097 O OD1 . ASP A 1 140 ? 17.964  21.785  25.074 1.00 36.23 ? 140 ASP A OD1 1 
ATOM   1098 O OD2 . ASP A 1 140 ? 17.473  23.076  23.377 1.00 37.20 ? 140 ASP A OD2 1 
ATOM   1099 N N   . PHE A 1 141 ? 15.280  19.261  20.985 1.00 24.00 ? 141 PHE A N   1 
ATOM   1100 C CA  . PHE A 1 141 ? 14.974  18.199  20.035 1.00 19.21 ? 141 PHE A CA  1 
ATOM   1101 C C   . PHE A 1 141 ? 14.530  18.775  18.692 1.00 20.41 ? 141 PHE A C   1 
ATOM   1102 O O   . PHE A 1 141 ? 14.983  18.326  17.631 1.00 19.74 ? 141 PHE A O   1 
ATOM   1103 C CB  . PHE A 1 141 ? 13.891  17.285  20.613 1.00 17.82 ? 141 PHE A CB  1 
ATOM   1104 C CG  . PHE A 1 141 ? 13.618  16.063  19.780 1.00 21.04 ? 141 PHE A CG  1 
ATOM   1105 C CD1 . PHE A 1 141 ? 12.743  16.114  18.700 1.00 18.84 ? 141 PHE A CD1 1 
ATOM   1106 C CD2 . PHE A 1 141 ? 14.272  14.869  20.057 1.00 18.27 ? 141 PHE A CD2 1 
ATOM   1107 C CE1 . PHE A 1 141 ? 12.504  14.983  17.924 1.00 18.55 ? 141 PHE A CE1 1 
ATOM   1108 C CE2 . PHE A 1 141 ? 14.043  13.725  19.276 1.00 26.50 ? 141 PHE A CE2 1 
ATOM   1109 C CZ  . PHE A 1 141 ? 13.157  13.786  18.207 1.00 20.87 ? 141 PHE A CZ  1 
ATOM   1110 N N   . GLN A 1 142 ? 13.679  19.801  18.728 1.00 16.96 ? 142 GLN A N   1 
ATOM   1111 C CA  . GLN A 1 142 ? 13.161  20.403  17.505 1.00 22.84 ? 142 GLN A CA  1 
ATOM   1112 C C   . GLN A 1 142 ? 14.295  20.932  16.644 1.00 23.08 ? 142 GLN A C   1 
ATOM   1113 O O   . GLN A 1 142 ? 14.228  20.883  15.413 1.00 25.37 ? 142 GLN A O   1 
ATOM   1114 C CB  . GLN A 1 142 ? 12.147  21.486  17.849 1.00 19.55 ? 142 GLN A CB  1 
ATOM   1115 C CG  . GLN A 1 142 ? 10.988  20.883  18.620 1.00 33.75 ? 142 GLN A CG  1 
ATOM   1116 C CD  . GLN A 1 142 ? 9.632   21.431  18.249 1.00 40.84 ? 142 GLN A CD  1 
ATOM   1117 O OE1 . GLN A 1 142 ? 9.197   21.321  17.102 1.00 35.48 ? 142 GLN A OE1 1 
ATOM   1118 N NE2 . GLN A 1 142 ? 8.936   22.003  19.234 1.00 33.37 ? 142 GLN A NE2 1 
ATOM   1119 N N   . LEU A 1 143 ? 15.326  21.473  17.277 1.00 28.74 ? 143 LEU A N   1 
ATOM   1120 C CA  . LEU A 1 143 ? 16.427  22.118  16.590 1.00 22.66 ? 143 LEU A CA  1 
ATOM   1121 C C   . LEU A 1 143 ? 17.590  21.159  16.364 1.00 24.40 ? 143 LEU A C   1 
ATOM   1122 O O   . LEU A 1 143 ? 18.658  21.597  15.926 1.00 31.83 ? 143 LEU A O   1 
ATOM   1123 C CB  . LEU A 1 143 ? 16.902  23.337  17.390 1.00 34.06 ? 143 LEU A CB  1 
ATOM   1124 C CG  . LEU A 1 143 ? 15.959  24.544  17.492 1.00 32.96 ? 143 LEU A CG  1 
ATOM   1125 C CD1 . LEU A 1 143 ? 16.581  25.637  18.336 1.00 25.45 ? 143 LEU A CD1 1 
ATOM   1126 C CD2 . LEU A 1 143 ? 15.623  25.071  16.113 1.00 19.62 ? 143 LEU A CD2 1 
ATOM   1127 N N   . TYR A 1 144 ? 17.428  19.879  16.705 1.00 23.57 ? 144 TYR A N   1 
ATOM   1128 C CA  . TYR A 1 144 ? 18.524  18.927  16.560 1.00 25.73 ? 144 TYR A CA  1 
ATOM   1129 C C   . TYR A 1 144 ? 19.020  18.935  15.121 1.00 18.62 ? 144 TYR A C   1 
ATOM   1130 O O   . TYR A 1 144 ? 18.229  18.824  14.182 1.00 22.31 ? 144 TYR A O   1 
ATOM   1131 C CB  . TYR A 1 144 ? 18.048  17.525  16.935 1.00 22.83 ? 144 TYR A CB  1 
ATOM   1132 C CG  . TYR A 1 144 ? 18.983  16.388  16.553 1.00 21.13 ? 144 TYR A CG  1 
ATOM   1133 C CD1 . TYR A 1 144 ? 20.073  16.049  17.357 1.00 21.54 ? 144 TYR A CD1 1 
ATOM   1134 C CD2 . TYR A 1 144 ? 18.773  15.651  15.388 1.00 21.56 ? 144 TYR A CD2 1 
ATOM   1135 C CE1 . TYR A 1 144 ? 20.917  15.006  17.013 1.00 18.82 ? 144 TYR A CE1 1 
ATOM   1136 C CE2 . TYR A 1 144 ? 19.604  14.611  15.034 1.00 17.81 ? 144 TYR A CE2 1 
ATOM   1137 C CZ  . TYR A 1 144 ? 20.670  14.286  15.850 1.00 20.40 ? 144 TYR A CZ  1 
ATOM   1138 O OH  . TYR A 1 144 ? 21.489  13.243  15.492 1.00 18.16 ? 144 TYR A OH  1 
ATOM   1139 N N   . ARG A 1 145 ? 20.333  19.043  14.949 1.00 21.60 ? 145 ARG A N   1 
ATOM   1140 C CA  . ARG A 1 145 ? 20.950  19.005  13.629 1.00 26.43 ? 145 ARG A CA  1 
ATOM   1141 C C   . ARG A 1 145 ? 21.821  17.785  13.392 1.00 27.16 ? 145 ARG A C   1 
ATOM   1142 O O   . ARG A 1 145 ? 22.009  17.393  12.241 1.00 36.09 ? 145 ARG A O   1 
ATOM   1143 C CB  . ARG A 1 145 ? 21.743  20.288  13.349 1.00 36.05 ? 145 ARG A CB  1 
ATOM   1144 C CG  . ARG A 1 145 ? 20.875  21.539  13.450 1.00 47.08 ? 145 ARG A CG  1 
ATOM   1145 C CD  . ARG A 1 145 ? 21.650  22.860  13.322 1.00 61.35 ? 145 ARG A CD  1 
ATOM   1146 N NE  . ARG A 1 145 ? 23.030  22.775  13.785 1.00 67.36 ? 145 ARG A NE  1 
ATOM   1147 C CZ  . ARG A 1 145 ? 23.490  23.365  14.881 1.00 66.26 ? 145 ARG A CZ  1 
ATOM   1148 N NH1 . ARG A 1 145 ? 22.704  24.097  15.654 1.00 52.70 ? 145 ARG A NH1 1 
ATOM   1149 N NH2 . ARG A 1 145 ? 24.770  23.215  15.210 1.00 53.94 ? 145 ARG A NH2 1 
ATOM   1150 N N   . GLY A 1 146 ? 22.360  17.186  14.441 1.00 18.73 ? 146 GLY A N   1 
ATOM   1151 C CA  . GLY A 1 146 ? 23.220  16.033  14.284 1.00 15.90 ? 146 GLY A CA  1 
ATOM   1152 C C   . GLY A 1 146 ? 23.981  15.753  15.562 1.00 21.98 ? 146 GLY A C   1 
ATOM   1153 O O   . GLY A 1 146 ? 23.993  16.546  16.510 1.00 15.01 ? 146 GLY A O   1 
ATOM   1154 N N   . GLY A 1 147 ? 24.617  14.593  15.567 1.00 28.26 ? 147 GLY A N   1 
ATOM   1155 C CA  . GLY A 1 147 ? 25.335  14.093  16.721 1.00 18.29 ? 147 GLY A CA  1 
ATOM   1156 C C   . GLY A 1 147 ? 24.452  13.165  17.523 1.00 16.96 ? 147 GLY A C   1 
ATOM   1157 O O   . GLY A 1 147 ? 23.279  12.933  17.219 1.00 18.31 ? 147 GLY A O   1 
ATOM   1158 N N   . ILE A 1 148 ? 25.024  12.644  18.598 1.00 23.38 ? 148 ILE A N   1 
ATOM   1159 C CA  . ILE A 1 148 ? 24.284  11.778  19.506 1.00 19.71 ? 148 ILE A CA  1 
ATOM   1160 C C   . ILE A 1 148 ? 23.533  12.664  20.499 1.00 20.53 ? 148 ILE A C   1 
ATOM   1161 O O   . ILE A 1 148 ? 24.141  13.366  21.309 1.00 23.34 ? 148 ILE A O   1 
ATOM   1162 C CB  . ILE A 1 148 ? 25.207  10.767  20.190 1.00 24.82 ? 148 ILE A CB  1 
ATOM   1163 C CG1 . ILE A 1 148 ? 25.732  9.806   19.122 1.00 19.13 ? 148 ILE A CG1 1 
ATOM   1164 C CG2 . ILE A 1 148 ? 24.440  9.962   21.219 1.00 26.82 ? 148 ILE A CG2 1 
ATOM   1165 C CD1 . ILE A 1 148 ? 26.831  8.921   19.578 1.00 26.21 ? 148 ILE A CD1 1 
ATOM   1166 N N   . PHE A 1 149 ? 22.207  12.670  20.402 1.00 18.25 ? 149 PHE A N   1 
ATOM   1167 C CA  . PHE A 1 149 ? 21.385  13.580  21.185 1.00 19.35 ? 149 PHE A CA  1 
ATOM   1168 C C   . PHE A 1 149 ? 21.254  13.099  22.623 1.00 21.44 ? 149 PHE A C   1 
ATOM   1169 O O   . PHE A 1 149 ? 20.839  11.963  22.873 1.00 23.32 ? 149 PHE A O   1 
ATOM   1170 C CB  . PHE A 1 149 ? 20.004  13.683  20.541 1.00 16.15 ? 149 PHE A CB  1 
ATOM   1171 C CG  . PHE A 1 149 ? 19.098  14.702  21.172 1.00 19.03 ? 149 PHE A CG  1 
ATOM   1172 C CD1 . PHE A 1 149 ? 19.341  16.063  21.016 1.00 26.42 ? 149 PHE A CD1 1 
ATOM   1173 C CD2 . PHE A 1 149 ? 17.969  14.304  21.865 1.00 14.55 ? 149 PHE A CD2 1 
ATOM   1174 C CE1 . PHE A 1 149 ? 18.509  16.998  21.591 1.00 13.99 ? 149 PHE A CE1 1 
ATOM   1175 C CE2 . PHE A 1 149 ? 17.130  15.231  22.430 1.00 18.02 ? 149 PHE A CE2 1 
ATOM   1176 C CZ  . PHE A 1 149 ? 17.395  16.579  22.286 1.00 20.42 ? 149 PHE A CZ  1 
ATOM   1177 N N   . VAL A 1 150 ? 21.584  13.978  23.570 1.00 17.72 ? 150 VAL A N   1 
ATOM   1178 C CA  . VAL A 1 150 ? 21.494  13.662  24.992 1.00 27.45 ? 150 VAL A CA  1 
ATOM   1179 C C   . VAL A 1 150 ? 20.415  14.482  25.691 1.00 21.98 ? 150 VAL A C   1 
ATOM   1180 O O   . VAL A 1 150 ? 20.239  14.345  26.908 1.00 26.31 ? 150 VAL A O   1 
ATOM   1181 C CB  . VAL A 1 150 ? 22.858  13.840  25.694 1.00 22.24 ? 150 VAL A CB  1 
ATOM   1182 C CG1 . VAL A 1 150 ? 23.947  13.045  24.945 1.00 21.93 ? 150 VAL A CG1 1 
ATOM   1183 C CG2 . VAL A 1 150 ? 23.248  15.325  25.825 1.00 17.51 ? 150 VAL A CG2 1 
ATOM   1184 N N   . GLY A 1 151 ? 19.677  15.315  24.954 1.00 19.72 ? 151 GLY A N   1 
ATOM   1185 C CA  . GLY A 1 151 ? 18.782  16.298  25.523 1.00 17.92 ? 151 GLY A CA  1 
ATOM   1186 C C   . GLY A 1 151 ? 19.380  17.694  25.497 1.00 21.06 ? 151 GLY A C   1 
ATOM   1187 O O   . GLY A 1 151 ? 20.293  17.985  24.717 1.00 22.90 ? 151 GLY A O   1 
ATOM   1188 N N   . PRO A 1 152 ? 18.890  18.591  26.353 1.00 24.04 ? 152 PRO A N   1 
ATOM   1189 C CA  . PRO A 1 152 ? 17.868  18.415  27.400 1.00 22.59 ? 152 PRO A CA  1 
ATOM   1190 C C   . PRO A 1 152 ? 16.500  17.991  26.884 1.00 22.05 ? 152 PRO A C   1 
ATOM   1191 O O   . PRO A 1 152 ? 16.100  18.372  25.786 1.00 32.31 ? 152 PRO A O   1 
ATOM   1192 C CB  . PRO A 1 152 ? 17.804  19.811  28.051 1.00 25.01 ? 152 PRO A CB  1 
ATOM   1193 C CG  . PRO A 1 152 ? 19.172  20.378  27.835 1.00 27.18 ? 152 PRO A CG  1 
ATOM   1194 C CD  . PRO A 1 152 ? 19.560  19.898  26.464 1.00 25.65 ? 152 PRO A CD  1 
ATOM   1195 N N   . CYS A 1 153 ? 15.781  17.175  27.649 1.00 20.73 ? 153 CYS A N   1 
ATOM   1196 C CA  . CYS A 1 153 ? 14.398  16.811  27.368 1.00 25.06 ? 153 CYS A CA  1 
ATOM   1197 C C   . CYS A 1 153 ? 13.854  16.157  28.627 1.00 26.10 ? 153 CYS A C   1 
ATOM   1198 O O   . CYS A 1 153 ? 14.619  15.627  29.438 1.00 34.02 ? 153 CYS A O   1 
ATOM   1199 C CB  . CYS A 1 153 ? 14.236  15.879  26.140 1.00 26.26 ? 153 CYS A CB  1 
ATOM   1200 S SG  . CYS A 1 153 ? 15.241  14.360  26.064 1.00 45.30 ? 153 CYS A SG  1 
ATOM   1201 N N   . GLY A 1 154 ? 12.542  16.228  28.803 1.00 23.45 ? 154 GLY A N   1 
ATOM   1202 C CA  . GLY A 1 154 ? 11.871  15.499  29.854 1.00 21.93 ? 154 GLY A CA  1 
ATOM   1203 C C   . GLY A 1 154 ? 11.378  14.174  29.315 1.00 24.91 ? 154 GLY A C   1 
ATOM   1204 O O   . GLY A 1 154 ? 11.824  13.699  28.268 1.00 24.02 ? 154 GLY A O   1 
ATOM   1205 N N   . ASN A 1 155 ? 10.457  13.551  30.052 1.00 26.83 ? 155 ASN A N   1 
ATOM   1206 C CA  . ASN A 1 155 ? 9.916   12.261  29.641 1.00 24.69 ? 155 ASN A CA  1 
ATOM   1207 C C   . ASN A 1 155 ? 8.437   12.338  29.277 1.00 23.50 ? 155 ASN A C   1 
ATOM   1208 O O   . ASN A 1 155 ? 7.782   11.303  29.147 1.00 21.07 ? 155 ASN A O   1 
ATOM   1209 C CB  . ASN A 1 155 ? 10.161  11.195  30.717 1.00 26.18 ? 155 ASN A CB  1 
ATOM   1210 C CG  . ASN A 1 155 ? 9.556   11.553  32.068 1.00 33.84 ? 155 ASN A CG  1 
ATOM   1211 O OD1 . ASN A 1 155 ? 8.719   12.450  32.176 1.00 33.97 ? 155 ASN A OD1 1 
ATOM   1212 N ND2 . ASN A 1 155 ? 9.978   10.837  33.111 1.00 39.14 ? 155 ASN A ND2 1 
ATOM   1213 N N   . LYS A 1 156 ? 7.903   13.547  29.082 1.00 26.93 ? 156 LYS A N   1 
ATOM   1214 C CA  . LYS A 1 156 ? 6.495   13.726  28.729 1.00 25.55 ? 156 LYS A CA  1 
ATOM   1215 C C   . LYS A 1 156 ? 6.354   13.452  27.240 1.00 23.33 ? 156 LYS A C   1 
ATOM   1216 O O   . LYS A 1 156 ? 6.353   14.357  26.403 1.00 30.95 ? 156 LYS A O   1 
ATOM   1217 C CB  . LYS A 1 156 ? 5.999   15.126  29.079 1.00 31.53 ? 156 LYS A CB  1 
ATOM   1218 C CG  . LYS A 1 156 ? 6.754   15.881  30.179 1.00 45.89 ? 156 LYS A CG  1 
ATOM   1219 C CD  . LYS A 1 156 ? 6.863   15.096  31.500 1.00 54.64 ? 156 LYS A CD  1 
ATOM   1220 C CE  . LYS A 1 156 ? 5.526   14.560  31.997 1.00 42.72 ? 156 LYS A CE  1 
ATOM   1221 N NZ  . LYS A 1 156 ? 5.600   14.216  33.441 1.00 38.58 ? 156 LYS A NZ  1 
ATOM   1222 N N   . VAL A 1 157 ? 6.232   12.166  26.909 1.00 27.05 ? 157 VAL A N   1 
ATOM   1223 C CA  . VAL A 1 157 ? 6.230   11.758  25.505 1.00 16.81 ? 157 VAL A CA  1 
ATOM   1224 C C   . VAL A 1 157 ? 4.965   12.242  24.807 1.00 18.53 ? 157 VAL A C   1 
ATOM   1225 O O   . VAL A 1 157 ? 3.878   12.268  25.395 1.00 23.59 ? 157 VAL A O   1 
ATOM   1226 C CB  . VAL A 1 157 ? 6.380   10.232  25.378 1.00 19.15 ? 157 VAL A CB  1 
ATOM   1227 C CG1 . VAL A 1 157 ? 7.706   9.788   25.938 1.00 20.92 ? 157 VAL A CG1 1 
ATOM   1228 C CG2 . VAL A 1 157 ? 5.250   9.511   26.099 1.00 11.71 ? 157 VAL A CG2 1 
ATOM   1229 N N   . ASP A 1 158 ? 5.116   12.647  23.532 1.00 21.84 ? 158 ASP A N   1 
ATOM   1230 C CA  . ASP A 1 158 ? 4.040   13.284  22.783 1.00 25.90 ? 158 ASP A CA  1 
ATOM   1231 C C   . ASP A 1 158 ? 4.195   13.034  21.285 1.00 23.88 ? 158 ASP A C   1 
ATOM   1232 O O   . ASP A 1 158 ? 3.399   13.573  20.505 1.00 28.43 ? 158 ASP A O   1 
ATOM   1233 C CB  . ASP A 1 158 ? 3.987   14.798  23.027 1.00 19.73 ? 158 ASP A CB  1 
ATOM   1234 C CG  . ASP A 1 158 ? 5.277   15.525  22.660 1.00 31.25 ? 158 ASP A CG  1 
ATOM   1235 O OD1 . ASP A 1 158 ? 6.045   15.036  21.787 1.00 27.10 ? 158 ASP A OD1 1 
ATOM   1236 O OD2 . ASP A 1 158 ? 5.585   16.539  23.294 1.00 46.85 ? 158 ASP A OD2 1 
ATOM   1237 N N   . HIS A 1 159 ? 5.126   12.190  20.852 1.00 19.00 ? 159 HIS A N   1 
ATOM   1238 C CA  . HIS A 1 159 ? 5.478   12.136  19.445 1.00 18.50 ? 159 HIS A CA  1 
ATOM   1239 C C   . HIS A 1 159 ? 5.913   10.722  19.139 1.00 21.49 ? 159 HIS A C   1 
ATOM   1240 O O   . HIS A 1 159 ? 6.818   10.195  19.786 1.00 21.25 ? 159 HIS A O   1 
ATOM   1241 C CB  . HIS A 1 159 ? 6.611   13.106  19.124 1.00 16.07 ? 159 HIS A CB  1 
ATOM   1242 C CG  . HIS A 1 159 ? 6.919   13.222  17.662 1.00 21.28 ? 159 HIS A CG  1 
ATOM   1243 N ND1 . HIS A 1 159 ? 5.958   13.496  16.712 1.00 21.11 ? 159 HIS A ND1 1 
ATOM   1244 C CD2 . HIS A 1 159 ? 8.084   13.063  16.985 1.00 15.51 ? 159 HIS A CD2 1 
ATOM   1245 C CE1 . HIS A 1 159 ? 6.528   13.529  15.517 1.00 20.44 ? 159 HIS A CE1 1 
ATOM   1246 N NE2 . HIS A 1 159 ? 7.815   13.263  15.654 1.00 18.90 ? 159 HIS A NE2 1 
ATOM   1247 N N   . ALA A 1 160 ? 5.280   10.120  18.139 1.00 20.72 ? 160 ALA A N   1 
ATOM   1248 C CA  . ALA A 1 160 ? 5.601   8.760   17.742 1.00 16.87 ? 160 ALA A CA  1 
ATOM   1249 C C   . ALA A 1 160 ? 6.559   8.805   16.570 1.00 14.29 ? 160 ALA A C   1 
ATOM   1250 O O   . ALA A 1 160 ? 6.336   9.553   15.616 1.00 21.67 ? 160 ALA A O   1 
ATOM   1251 C CB  . ALA A 1 160 ? 4.330   8.008   17.359 1.00 15.21 ? 160 ALA A CB  1 
ATOM   1252 N N   . VAL A 1 161 ? 7.610   7.993   16.648 1.00 12.12 ? 161 VAL A N   1 
ATOM   1253 C CA  . VAL A 1 161 ? 8.678   7.928   15.661 1.00 11.03 ? 161 VAL A CA  1 
ATOM   1254 C C   . VAL A 1 161 ? 9.037   6.459   15.560 1.00 18.25 ? 161 VAL A C   1 
ATOM   1255 O O   . VAL A 1 161 ? 8.397   5.612   16.209 1.00 14.50 ? 161 VAL A O   1 
ATOM   1256 C CB  . VAL A 1 161 ? 9.904   8.763   16.056 1.00 16.08 ? 161 VAL A CB  1 
ATOM   1257 C CG1 . VAL A 1 161 ? 9.584   10.238  16.046 1.00 16.32 ? 161 VAL A CG1 1 
ATOM   1258 C CG2 . VAL A 1 161 ? 10.402  8.325   17.431 1.00 16.28 ? 161 VAL A CG2 1 
ATOM   1259 N N   . ALA A 1 162 ? 10.126  6.135   14.861 1.00 11.42 ? 162 ALA A N   1 
ATOM   1260 C CA  . ALA A 1 162 ? 10.470  4.727   14.717 1.00 10.80 ? 162 ALA A CA  1 
ATOM   1261 C C   . ALA A 1 162 ? 11.935  4.470   15.009 1.00 11.13 ? 162 ALA A C   1 
ATOM   1262 O O   . ALA A 1 162 ? 12.805  5.191   14.530 1.00 11.97 ? 162 ALA A O   1 
ATOM   1263 C CB  . ALA A 1 162 ? 10.134  4.226   13.314 1.00 14.20 ? 162 ALA A CB  1 
ATOM   1264 N N   . ALA A 1 163 ? 12.209  3.453   15.809 1.00 11.47 ? 163 ALA A N   1 
ATOM   1265 C CA  . ALA A 1 163 ? 13.579  3.053   16.061 1.00 14.63 ? 163 ALA A CA  1 
ATOM   1266 C C   . ALA A 1 163 ? 13.939  2.039   14.989 1.00 14.63 ? 163 ALA A C   1 
ATOM   1267 O O   . ALA A 1 163 ? 13.260  1.016   14.843 1.00 17.39 ? 163 ALA A O   1 
ATOM   1268 C CB  . ALA A 1 163 ? 13.721  2.441   17.455 1.00 17.48 ? 163 ALA A CB  1 
ATOM   1269 N N   . VAL A 1 164 ? 14.980  2.338   14.217 1.00 12.96 ? 164 VAL A N   1 
ATOM   1270 C CA  . VAL A 1 164 ? 15.394  1.505   13.099 1.00 12.34 ? 164 VAL A CA  1 
ATOM   1271 C C   . VAL A 1 164 ? 16.813  1.004   13.268 1.00 15.28 ? 164 VAL A C   1 
ATOM   1272 O O   . VAL A 1 164 ? 17.358  0.381   12.355 1.00 14.48 ? 164 VAL A O   1 
ATOM   1273 C CB  . VAL A 1 164 ? 15.224  2.229   11.752 1.00 12.48 ? 164 VAL A CB  1 
ATOM   1274 C CG1 . VAL A 1 164 ? 13.761  2.541   11.531 1.00 8.75  ? 164 VAL A CG1 1 
ATOM   1275 C CG2 . VAL A 1 164 ? 16.068  3.490   11.749 1.00 14.78 ? 164 VAL A CG2 1 
ATOM   1276 N N   . GLY A 1 165 ? 17.410  1.241   14.429 1.00 11.36 ? 165 GLY A N   1 
ATOM   1277 C CA  . GLY A 1 165 ? 18.735  0.733   14.697 1.00 14.81 ? 165 GLY A CA  1 
ATOM   1278 C C   . GLY A 1 165 ? 19.210  1.207   16.047 1.00 13.47 ? 165 GLY A C   1 
ATOM   1279 O O   . GLY A 1 165 ? 18.453  1.811   16.808 1.00 14.06 ? 165 GLY A O   1 
ATOM   1280 N N   . TYR A 1 166 ? 20.465  0.891   16.353 1.00 11.30 ? 166 TYR A N   1 
ATOM   1281 C CA  . TYR A 1 166 ? 21.076  1.318   17.606 1.00 10.03 ? 166 TYR A CA  1 
ATOM   1282 C C   . TYR A 1 166 ? 22.579  1.104   17.507 1.00 13.82 ? 166 TYR A C   1 
ATOM   1283 O O   . TYR A 1 166 ? 23.077  0.415   16.612 1.00 13.55 ? 166 TYR A O   1 
ATOM   1284 C CB  . TYR A 1 166 ? 20.486  0.583   18.811 1.00 17.26 ? 166 TYR A CB  1 
ATOM   1285 C CG  . TYR A 1 166 ? 20.720  -0.912  18.853 1.00 15.12 ? 166 TYR A CG  1 
ATOM   1286 C CD1 . TYR A 1 166 ? 21.946  -1.423  19.247 1.00 16.00 ? 166 TYR A CD1 1 
ATOM   1287 C CD2 . TYR A 1 166 ? 19.702  -1.810  18.523 1.00 12.98 ? 166 TYR A CD2 1 
ATOM   1288 C CE1 . TYR A 1 166 ? 22.171  -2.780  19.301 1.00 19.30 ? 166 TYR A CE1 1 
ATOM   1289 C CE2 . TYR A 1 166 ? 19.910  -3.169  18.572 1.00 16.22 ? 166 TYR A CE2 1 
ATOM   1290 C CZ  . TYR A 1 166 ? 21.155  -3.653  18.964 1.00 21.76 ? 166 TYR A CZ  1 
ATOM   1291 O OH  . TYR A 1 166 ? 21.400  -5.008  19.027 1.00 19.55 ? 166 TYR A OH  1 
ATOM   1292 N N   . GLY A 1 167 ? 23.294  1.676   18.459 1.00 10.67 ? 167 GLY A N   1 
ATOM   1293 C CA  . GLY A 1 167 ? 24.703  1.419   18.606 1.00 12.32 ? 167 GLY A CA  1 
ATOM   1294 C C   . GLY A 1 167 ? 25.070  1.342   20.070 1.00 15.33 ? 167 GLY A C   1 
ATOM   1295 O O   . GLY A 1 167 ? 24.202  1.325   20.953 1.00 16.29 ? 167 GLY A O   1 
ATOM   1296 N N   . PRO A 1 168 ? 26.365  1.246   20.356 1.00 15.41 ? 168 PRO A N   1 
ATOM   1297 C CA  . PRO A 1 168 ? 26.804  1.104   21.753 1.00 23.61 ? 168 PRO A CA  1 
ATOM   1298 C C   . PRO A 1 168 ? 26.283  2.186   22.675 1.00 22.27 ? 168 PRO A C   1 
ATOM   1299 O O   . PRO A 1 168 ? 25.924  1.887   23.817 1.00 26.30 ? 168 PRO A O   1 
ATOM   1300 C CB  . PRO A 1 168 ? 28.330  1.162   21.628 1.00 25.57 ? 168 PRO A CB  1 
ATOM   1301 C CG  . PRO A 1 168 ? 28.604  0.575   20.285 1.00 30.10 ? 168 PRO A CG  1 
ATOM   1302 C CD  . PRO A 1 168 ? 27.458  1.009   19.409 1.00 22.78 ? 168 PRO A CD  1 
ATOM   1303 N N   . ASN A 1 169 ? 26.184  3.428   22.207 1.00 20.95 ? 169 ASN A N   1 
ATOM   1304 C CA  . ASN A 1 169 ? 25.710  4.511   23.053 1.00 20.88 ? 169 ASN A CA  1 
ATOM   1305 C C   . ASN A 1 169 ? 24.491  5.236   22.490 1.00 20.90 ? 169 ASN A C   1 
ATOM   1306 O O   . ASN A 1 169 ? 24.152  6.316   22.983 1.00 21.56 ? 169 ASN A O   1 
ATOM   1307 C CB  . ASN A 1 169 ? 26.841  5.508   23.289 1.00 14.94 ? 169 ASN A CB  1 
ATOM   1308 C CG  . ASN A 1 169 ? 27.446  6.002   21.988 1.00 26.73 ? 169 ASN A CG  1 
ATOM   1309 O OD1 . ASN A 1 169 ? 27.459  5.282   20.987 1.00 20.95 ? 169 ASN A OD1 1 
ATOM   1310 N ND2 . ASN A 1 169 ? 27.937  7.235   21.988 1.00 19.45 ? 169 ASN A ND2 1 
ATOM   1311 N N   . TYR A 1 170 ? 23.799  4.680   21.501 1.00 18.11 ? 170 TYR A N   1 
ATOM   1312 C CA  . TYR A 1 170 ? 22.664  5.404   20.949 1.00 17.23 ? 170 TYR A CA  1 
ATOM   1313 C C   . TYR A 1 170 ? 21.642  4.426   20.392 1.00 18.68 ? 170 TYR A C   1 
ATOM   1314 O O   . TYR A 1 170 ? 21.929  3.253   20.144 1.00 19.43 ? 170 TYR A O   1 
ATOM   1315 C CB  . TYR A 1 170 ? 23.075  6.366   19.826 1.00 20.48 ? 170 TYR A CB  1 
ATOM   1316 C CG  . TYR A 1 170 ? 23.605  5.668   18.587 1.00 19.01 ? 170 TYR A CG  1 
ATOM   1317 C CD1 . TYR A 1 170 ? 24.946  5.350   18.455 1.00 16.91 ? 170 TYR A CD1 1 
ATOM   1318 C CD2 . TYR A 1 170 ? 22.749  5.333   17.540 1.00 20.22 ? 170 TYR A CD2 1 
ATOM   1319 C CE1 . TYR A 1 170 ? 25.422  4.718   17.311 1.00 20.94 ? 170 TYR A CE1 1 
ATOM   1320 C CE2 . TYR A 1 170 ? 23.219  4.699   16.394 1.00 17.07 ? 170 TYR A CE2 1 
ATOM   1321 C CZ  . TYR A 1 170 ? 24.552  4.404   16.284 1.00 13.38 ? 170 TYR A CZ  1 
ATOM   1322 O OH  . TYR A 1 170 ? 25.020  3.776   15.159 1.00 16.03 ? 170 TYR A OH  1 
ATOM   1323 N N   . ILE A 1 171 ? 20.457  4.961   20.149 1.00 16.99 ? 171 ILE A N   1 
ATOM   1324 C CA  . ILE A 1 171 ? 19.389  4.332   19.394 1.00 12.09 ? 171 ILE A CA  1 
ATOM   1325 C C   . ILE A 1 171 ? 19.106  5.201   18.175 1.00 18.62 ? 171 ILE A C   1 
ATOM   1326 O O   . ILE A 1 171 ? 19.113  6.435   18.265 1.00 16.89 ? 171 ILE A O   1 
ATOM   1327 C CB  . ILE A 1 171 ? 18.143  4.162   20.294 1.00 19.37 ? 171 ILE A CB  1 
ATOM   1328 C CG1 . ILE A 1 171 ? 18.420  3.085   21.348 1.00 23.58 ? 171 ILE A CG1 1 
ATOM   1329 C CG2 . ILE A 1 171 ? 16.900  3.790   19.494 1.00 18.18 ? 171 ILE A CG2 1 
ATOM   1330 C CD1 . ILE A 1 171 ? 17.396  3.020   22.444 1.00 22.69 ? 171 ILE A CD1 1 
ATOM   1331 N N   . LEU A 1 172 ? 18.937  4.563   17.022 1.00 17.04 ? 172 LEU A N   1 
ATOM   1332 C CA  . LEU A 1 172 ? 18.777  5.266   15.755 1.00 14.34 ? 172 LEU A CA  1 
ATOM   1333 C C   . LEU A 1 172 ? 17.292  5.435   15.458 1.00 15.29 ? 172 LEU A C   1 
ATOM   1334 O O   . LEU A 1 172 ? 16.550  4.450   15.444 1.00 17.01 ? 172 LEU A O   1 
ATOM   1335 C CB  . LEU A 1 172 ? 19.454  4.514   14.614 1.00 12.63 ? 172 LEU A CB  1 
ATOM   1336 C CG  . LEU A 1 172 ? 19.235  5.122   13.228 1.00 15.52 ? 172 LEU A CG  1 
ATOM   1337 C CD1 . LEU A 1 172 ? 19.884  6.505   13.148 1.00 12.44 ? 172 LEU A CD1 1 
ATOM   1338 C CD2 . LEU A 1 172 ? 19.753  4.186   12.124 1.00 18.44 ? 172 LEU A CD2 1 
ATOM   1339 N N   . ILE A 1 173 ? 16.854  6.676   15.255 1.00 13.93 ? 173 ILE A N   1 
ATOM   1340 C CA  . ILE A 1 173 ? 15.443  7.023   15.179 1.00 17.25 ? 173 ILE A CA  1 
ATOM   1341 C C   . ILE A 1 173 ? 15.157  7.658   13.821 1.00 19.74 ? 173 ILE A C   1 
ATOM   1342 O O   . ILE A 1 173 ? 15.843  8.602   13.414 1.00 20.66 ? 173 ILE A O   1 
ATOM   1343 C CB  . ILE A 1 173 ? 15.049  7.986   16.315 1.00 15.94 ? 173 ILE A CB  1 
ATOM   1344 C CG1 . ILE A 1 173 ? 15.261  7.345   17.687 1.00 25.79 ? 173 ILE A CG1 1 
ATOM   1345 C CG2 . ILE A 1 173 ? 13.628  8.417   16.157 1.00 19.13 ? 173 ILE A CG2 1 
ATOM   1346 C CD1 . ILE A 1 173 ? 14.392  6.106   17.928 1.00 26.13 ? 173 ILE A CD1 1 
ATOM   1347 N N   . LYS A 1 174 ? 14.155  7.126   13.126 1.00 18.29 ? 174 LYS A N   1 
ATOM   1348 C CA  . LYS A 1 174 ? 13.559  7.703   11.929 1.00 14.89 ? 174 LYS A CA  1 
ATOM   1349 C C   . LYS A 1 174 ? 12.404  8.597   12.341 1.00 12.32 ? 174 LYS A C   1 
ATOM   1350 O O   . LYS A 1 174 ? 11.411  8.112   12.916 1.00 14.53 ? 174 LYS A O   1 
ATOM   1351 C CB  . LYS A 1 174 ? 13.039  6.614   10.987 1.00 17.31 ? 174 LYS A CB  1 
ATOM   1352 C CG  . LYS A 1 174 ? 12.491  7.173   9.651  1.00 17.72 ? 174 LYS A CG  1 
ATOM   1353 C CD  . LYS A 1 174 ? 11.918  6.064   8.722  1.00 18.43 ? 174 LYS A CD  1 
ATOM   1354 C CE  . LYS A 1 174 ? 11.608  6.590   7.345  1.00 9.10  ? 174 LYS A CE  1 
ATOM   1355 N NZ  . LYS A 1 174 ? 10.759  5.682   6.527  1.00 17.90 ? 174 LYS A NZ  1 
ATOM   1356 N N   . ASN A 1 175 ? 12.559  9.896   12.106 1.00 12.57 ? 175 ASN A N   1 
ATOM   1357 C CA  . ASN A 1 175 ? 11.506  10.868  12.350 1.00 11.68 ? 175 ASN A CA  1 
ATOM   1358 C C   . ASN A 1 175 ? 10.705  11.113  11.070 1.00 12.89 ? 175 ASN A C   1 
ATOM   1359 O O   . ASN A 1 175 ? 11.113  10.738  9.968  1.00 10.39 ? 175 ASN A O   1 
ATOM   1360 C CB  . ASN A 1 175 ? 12.094  12.153  12.904 1.00 9.05  ? 175 ASN A CB  1 
ATOM   1361 C CG  . ASN A 1 175 ? 11.072  12.994  13.628 1.00 14.51 ? 175 ASN A CG  1 
ATOM   1362 O OD1 . ASN A 1 175 ? 9.906   12.619  13.750 1.00 16.17 ? 175 ASN A OD1 1 
ATOM   1363 N ND2 . ASN A 1 175 ? 11.523  14.109  14.187 1.00 21.41 ? 175 ASN A ND2 1 
ATOM   1364 N N   . SER A 1 176 ? 9.572   11.792  11.217 1.00 11.05 ? 176 SER A N   1 
ATOM   1365 C CA  . SER A 1 176 ? 8.681   12.071  10.099 1.00 14.57 ? 176 SER A CA  1 
ATOM   1366 C C   . SER A 1 176 ? 8.581   13.570  9.867  1.00 15.32 ? 176 SER A C   1 
ATOM   1367 O O   . SER A 1 176 ? 7.520   14.102  9.529  1.00 18.01 ? 176 SER A O   1 
ATOM   1368 C CB  . SER A 1 176 ? 7.291   11.503  10.348 1.00 15.34 ? 176 SER A CB  1 
ATOM   1369 O OG  . SER A 1 176 ? 6.829   11.921  11.619 1.00 19.28 ? 176 SER A OG  1 
ATOM   1370 N N   . TRP A 1 177 ? 9.718   14.256  9.948  1.00 13.78 ? 177 TRP A N   1 
ATOM   1371 C CA  . TRP A 1 177 ? 9.760   15.697  9.766  1.00 17.29 ? 177 TRP A CA  1 
ATOM   1372 C C   . TRP A 1 177 ? 10.518  16.089  8.512  1.00 12.76 ? 177 TRP A C   1 
ATOM   1373 O O   . TRP A 1 177 ? 11.007  17.215  8.401  1.00 10.17 ? 177 TRP A O   1 
ATOM   1374 C CB  . TRP A 1 177 ? 10.388  16.362  10.988 1.00 13.98 ? 177 TRP A CB  1 
ATOM   1375 C CG  . TRP A 1 177 ? 9.511   16.366  12.163 1.00 14.16 ? 177 TRP A CG  1 
ATOM   1376 C CD1 . TRP A 1 177 ? 8.203   15.997  12.209 1.00 13.99 ? 177 TRP A CD1 1 
ATOM   1377 C CD2 . TRP A 1 177 ? 9.866   16.766  13.490 1.00 17.71 ? 177 TRP A CD2 1 
ATOM   1378 N NE1 . TRP A 1 177 ? 7.715   16.147  13.485 1.00 14.32 ? 177 TRP A NE1 1 
ATOM   1379 C CE2 . TRP A 1 177 ? 8.719   16.613  14.292 1.00 17.49 ? 177 TRP A CE2 1 
ATOM   1380 C CE3 . TRP A 1 177 ? 11.048  17.233  14.080 1.00 20.25 ? 177 TRP A CE3 1 
ATOM   1381 C CZ2 . TRP A 1 177 ? 8.715   16.912  15.658 1.00 19.67 ? 177 TRP A CZ2 1 
ATOM   1382 C CZ3 . TRP A 1 177 ? 11.042  17.539  15.430 1.00 20.92 ? 177 TRP A CZ3 1 
ATOM   1383 C CH2 . TRP A 1 177 ? 9.883   17.371  16.206 1.00 19.93 ? 177 TRP A CH2 1 
ATOM   1384 N N   . GLY A 1 178 ? 10.631  15.183  7.570  1.00 13.62 ? 178 GLY A N   1 
ATOM   1385 C CA  . GLY A 1 178 ? 11.321  15.488  6.345  1.00 15.86 ? 178 GLY A CA  1 
ATOM   1386 C C   . GLY A 1 178 ? 12.801  15.225  6.455  1.00 16.32 ? 178 GLY A C   1 
ATOM   1387 O O   . GLY A 1 178 ? 13.363  15.037  7.534  1.00 19.41 ? 178 GLY A O   1 
ATOM   1388 N N   . THR A 1 179 ? 13.449  15.249  5.300  1.00 14.71 ? 179 THR A N   1 
ATOM   1389 C CA  . THR A 1 179 ? 14.862  14.943  5.229  1.00 14.37 ? 179 THR A CA  1 
ATOM   1390 C C   . THR A 1 179 ? 15.741  16.093  5.685  1.00 18.42 ? 179 THR A C   1 
ATOM   1391 O O   . THR A 1 179 ? 16.948  15.889  5.850  1.00 16.10 ? 179 THR A O   1 
ATOM   1392 C CB  . THR A 1 179 ? 15.224  14.532  3.805  1.00 22.26 ? 179 THR A CB  1 
ATOM   1393 O OG1 . THR A 1 179 ? 14.900  15.592  2.895  1.00 20.95 ? 179 THR A OG1 1 
ATOM   1394 C CG2 . THR A 1 179 ? 14.421  13.294  3.422  1.00 15.67 ? 179 THR A CG2 1 
ATOM   1395 N N   . GLY A 1 180 ? 15.176  17.285  5.901  1.00 16.39 ? 180 GLY A N   1 
ATOM   1396 C CA  . GLY A 1 180 ? 15.972  18.416  6.338  1.00 16.05 ? 180 GLY A CA  1 
ATOM   1397 C C   . GLY A 1 180 ? 16.185  18.539  7.826  1.00 22.63 ? 180 GLY A C   1 
ATOM   1398 O O   . GLY A 1 180 ? 16.983  19.373  8.258  1.00 27.62 ? 180 GLY A O   1 
ATOM   1399 N N   . TRP A 1 181 ? 15.506  17.724  8.625  1.00 20.65 ? 181 TRP A N   1 
ATOM   1400 C CA  . TRP A 1 181 ? 15.663  17.727  10.073 1.00 20.24 ? 181 TRP A CA  1 
ATOM   1401 C C   . TRP A 1 181 ? 16.717  16.715  10.492 1.00 22.12 ? 181 TRP A C   1 
ATOM   1402 O O   . TRP A 1 181 ? 16.782  15.617  9.936  1.00 17.85 ? 181 TRP A O   1 
ATOM   1403 C CB  . TRP A 1 181 ? 14.330  17.398  10.755 1.00 19.83 ? 181 TRP A CB  1 
ATOM   1404 C CG  . TRP A 1 181 ? 14.398  17.355  12.257 1.00 18.91 ? 181 TRP A CG  1 
ATOM   1405 C CD1 . TRP A 1 181 ? 14.274  18.406  13.125 1.00 22.04 ? 181 TRP A CD1 1 
ATOM   1406 C CD2 . TRP A 1 181 ? 14.525  16.174  13.071 1.00 23.45 ? 181 TRP A CD2 1 
ATOM   1407 N NE1 . TRP A 1 181 ? 14.370  17.956  14.427 1.00 24.35 ? 181 TRP A NE1 1 
ATOM   1408 C CE2 . TRP A 1 181 ? 14.517  16.591  14.422 1.00 20.70 ? 181 TRP A CE2 1 
ATOM   1409 C CE3 . TRP A 1 181 ? 14.663  14.805  12.785 1.00 16.23 ? 181 TRP A CE3 1 
ATOM   1410 C CZ2 . TRP A 1 181 ? 14.643  15.692  15.485 1.00 16.52 ? 181 TRP A CZ2 1 
ATOM   1411 C CZ3 . TRP A 1 181 ? 14.802  13.912  13.846 1.00 18.60 ? 181 TRP A CZ3 1 
ATOM   1412 C CH2 . TRP A 1 181 ? 14.777  14.359  15.179 1.00 19.19 ? 181 TRP A CH2 1 
ATOM   1413 N N   . GLY A 1 182 ? 17.574  17.106  11.438 1.00 14.98 ? 182 GLY A N   1 
ATOM   1414 C CA  . GLY A 1 182 ? 18.485  16.125  12.001 1.00 12.87 ? 182 GLY A CA  1 
ATOM   1415 C C   . GLY A 1 182 ? 19.487  15.607  10.992 1.00 16.38 ? 182 GLY A C   1 
ATOM   1416 O O   . GLY A 1 182 ? 20.009  16.343  10.149 1.00 21.01 ? 182 GLY A O   1 
ATOM   1417 N N   . GLU A 1 183 ? 19.791  14.314  11.107 1.00 15.94 ? 183 GLU A N   1 
ATOM   1418 C CA  . GLU A 1 183 ? 20.768  13.641  10.251 1.00 11.62 ? 183 GLU A CA  1 
ATOM   1419 C C   . GLU A 1 183 ? 19.996  13.030  9.074  1.00 15.09 ? 183 GLU A C   1 
ATOM   1420 O O   . GLU A 1 183 ? 19.616  11.861  9.068  1.00 16.52 ? 183 GLU A O   1 
ATOM   1421 C CB  . GLU A 1 183 ? 21.539  12.592  11.046 1.00 18.47 ? 183 GLU A CB  1 
ATOM   1422 C CG  . GLU A 1 183 ? 22.269  13.184  12.265 1.00 25.60 ? 183 GLU A CG  1 
ATOM   1423 C CD  . GLU A 1 183 ? 23.133  12.179  13.017 1.00 30.03 ? 183 GLU A CD  1 
ATOM   1424 O OE1 . GLU A 1 183 ? 22.734  11.003  13.113 1.00 27.98 ? 183 GLU A OE1 1 
ATOM   1425 O OE2 . GLU A 1 183 ? 24.166  12.587  13.593 1.00 32.19 ? 183 GLU A OE2 1 
ATOM   1426 N N   . ASN A 1 184 ? 19.708  13.881  8.089  1.00 16.91 ? 184 ASN A N   1 
ATOM   1427 C CA  . ASN A 1 184 ? 18.920  13.525  6.907  1.00 17.02 ? 184 ASN A CA  1 
ATOM   1428 C C   . ASN A 1 184 ? 17.563  12.936  7.301  1.00 19.03 ? 184 ASN A C   1 
ATOM   1429 O O   . ASN A 1 184 ? 17.049  12.009  6.670  1.00 14.04 ? 184 ASN A O   1 
ATOM   1430 C CB  . ASN A 1 184 ? 19.703  12.541  6.035  1.00 17.10 ? 184 ASN A CB  1 
ATOM   1431 C CG  . ASN A 1 184 ? 20.966  13.160  5.441  1.00 20.54 ? 184 ASN A CG  1 
ATOM   1432 O OD1 . ASN A 1 184 ? 21.113  14.380  5.383  1.00 15.27 ? 184 ASN A OD1 1 
ATOM   1433 N ND2 . ASN A 1 184 ? 21.896  12.311  5.030  1.00 31.33 ? 184 ASN A ND2 1 
ATOM   1434 N N   . GLY A 1 185 ? 16.987  13.463  8.385  1.00 16.94 ? 185 GLY A N   1 
ATOM   1435 C CA  . GLY A 1 185 ? 15.674  13.056  8.840  1.00 14.92 ? 185 GLY A CA  1 
ATOM   1436 C C   . GLY A 1 185 ? 15.711  12.118  10.021 1.00 12.21 ? 185 GLY A C   1 
ATOM   1437 O O   . GLY A 1 185 ? 14.654  11.795  10.571 1.00 16.51 ? 185 GLY A O   1 
ATOM   1438 N N   . TYR A 1 186 ? 16.901  11.698  10.434 1.00 13.93 ? 186 TYR A N   1 
ATOM   1439 C CA  . TYR A 1 186 ? 17.116  10.759  11.520 1.00 13.72 ? 186 TYR A CA  1 
ATOM   1440 C C   . TYR A 1 186 ? 17.698  11.476  12.729 1.00 16.36 ? 186 TYR A C   1 
ATOM   1441 O O   . TYR A 1 186 ? 18.245  12.576  12.623 1.00 17.84 ? 186 TYR A O   1 
ATOM   1442 C CB  . TYR A 1 186 ? 18.069  9.643   11.087 1.00 13.22 ? 186 TYR A CB  1 
ATOM   1443 C CG  . TYR A 1 186 ? 17.484  8.699   10.066 1.00 16.75 ? 186 TYR A CG  1 
ATOM   1444 C CD1 . TYR A 1 186 ? 17.475  9.028   8.715  1.00 18.35 ? 186 TYR A CD1 1 
ATOM   1445 C CD2 . TYR A 1 186 ? 16.929  7.481   10.449 1.00 18.63 ? 186 TYR A CD2 1 
ATOM   1446 C CE1 . TYR A 1 186 ? 16.947  8.167   7.770  1.00 16.50 ? 186 TYR A CE1 1 
ATOM   1447 C CE2 . TYR A 1 186 ? 16.392  6.606   9.504  1.00 18.29 ? 186 TYR A CE2 1 
ATOM   1448 C CZ  . TYR A 1 186 ? 16.402  6.966   8.169  1.00 20.81 ? 186 TYR A CZ  1 
ATOM   1449 O OH  . TYR A 1 186 ? 15.876  6.126   7.223  1.00 14.91 ? 186 TYR A OH  1 
ATOM   1450 N N   . ILE A 1 187 ? 17.568  10.844  13.890 1.00 17.27 ? 187 ILE A N   1 
ATOM   1451 C CA  . ILE A 1 187 ? 18.256  11.291  15.096 1.00 17.72 ? 187 ILE A CA  1 
ATOM   1452 C C   . ILE A 1 187 ? 18.862  10.095  15.805 1.00 11.85 ? 187 ILE A C   1 
ATOM   1453 O O   . ILE A 1 187 ? 18.249  9.031   15.892 1.00 18.12 ? 187 ILE A O   1 
ATOM   1454 C CB  . ILE A 1 187 ? 17.327  12.087  16.042 1.00 16.81 ? 187 ILE A CB  1 
ATOM   1455 C CG1 . ILE A 1 187 ? 18.088  12.525  17.299 1.00 16.02 ? 187 ILE A CG1 1 
ATOM   1456 C CG2 . ILE A 1 187 ? 16.119  11.279  16.433 1.00 21.32 ? 187 ILE A CG2 1 
ATOM   1457 C CD1 . ILE A 1 187 ? 17.362  13.566  18.086 1.00 14.60 ? 187 ILE A CD1 1 
ATOM   1458 N N   . ARG A 1 188 ? 20.067  10.260  16.318 1.00 17.10 ? 188 ARG A N   1 
ATOM   1459 C CA  . ARG A 1 188 ? 20.655  9.262   17.198 1.00 17.09 ? 188 ARG A CA  1 
ATOM   1460 C C   . ARG A 1 188 ? 20.496  9.761   18.628 1.00 19.43 ? 188 ARG A C   1 
ATOM   1461 O O   . ARG A 1 188 ? 21.008  10.830  18.975 1.00 19.09 ? 188 ARG A O   1 
ATOM   1462 C CB  . ARG A 1 188 ? 22.126  9.026   16.862 1.00 15.93 ? 188 ARG A CB  1 
ATOM   1463 C CG  . ARG A 1 188 ? 22.342  8.282   15.561 1.00 18.13 ? 188 ARG A CG  1 
ATOM   1464 C CD  . ARG A 1 188 ? 23.818  8.160   15.226 1.00 20.09 ? 188 ARG A CD  1 
ATOM   1465 N NE  . ARG A 1 188 ? 24.452  9.441   14.935 1.00 18.58 ? 188 ARG A NE  1 
ATOM   1466 C CZ  . ARG A 1 188 ? 25.688  9.770   15.291 1.00 20.38 ? 188 ARG A CZ  1 
ATOM   1467 N NH1 . ARG A 1 188 ? 26.486  8.913   15.906 1.00 27.10 ? 188 ARG A NH1 1 
ATOM   1468 N NH2 . ARG A 1 188 ? 26.151  10.977  14.980 1.00 20.14 ? 188 ARG A NH2 1 
ATOM   1469 N N   . ILE A 1 189 ? 19.788  8.993   19.454 1.00 17.37 ? 189 ILE A N   1 
ATOM   1470 C CA  . ILE A 1 189 ? 19.470  9.405   20.813 1.00 19.90 ? 189 ILE A CA  1 
ATOM   1471 C C   . ILE A 1 189 ? 20.317  8.575   21.754 1.00 23.38 ? 189 ILE A C   1 
ATOM   1472 O O   . ILE A 1 189 ? 20.373  7.349   21.623 1.00 19.66 ? 189 ILE A O   1 
ATOM   1473 C CB  . ILE A 1 189 ? 17.977  9.224   21.136 1.00 17.96 ? 189 ILE A CB  1 
ATOM   1474 C CG1 . ILE A 1 189 ? 17.112  10.078  20.215 1.00 15.99 ? 189 ILE A CG1 1 
ATOM   1475 C CG2 . ILE A 1 189 ? 17.689  9.508   22.607 1.00 19.28 ? 189 ILE A CG2 1 
ATOM   1476 C CD1 . ILE A 1 189 ? 15.674  10.046  20.595 1.00 12.83 ? 189 ILE A CD1 1 
ATOM   1477 N N   . LYS A 1 190 ? 21.004  9.247   22.673 1.00 17.39 ? 190 LYS A N   1 
ATOM   1478 C CA  . LYS A 1 190 ? 21.877  8.553   23.609 1.00 22.31 ? 190 LYS A CA  1 
ATOM   1479 C C   . LYS A 1 190 ? 21.113  7.471   24.365 1.00 19.51 ? 190 LYS A C   1 
ATOM   1480 O O   . LYS A 1 190 ? 19.978  7.677   24.804 1.00 21.35 ? 190 LYS A O   1 
ATOM   1481 C CB  . LYS A 1 190 ? 22.528  9.534   24.585 1.00 17.15 ? 190 LYS A CB  1 
ATOM   1482 C CG  . LYS A 1 190 ? 23.425  8.838   25.610 1.00 20.42 ? 190 LYS A CG  1 
ATOM   1483 C CD  . LYS A 1 190 ? 24.821  9.428   25.603 1.00 32.27 ? 190 LYS A CD  1 
ATOM   1484 C CE  . LYS A 1 190 ? 25.622  8.994   26.813 1.00 28.93 ? 190 LYS A CE  1 
ATOM   1485 N NZ  . LYS A 1 190 ? 26.875  9.792   26.940 1.00 40.50 ? 190 LYS A NZ  1 
ATOM   1486 N N   . ARG A 1 191 ? 21.757  6.331   24.565 1.00 17.09 ? 191 ARG A N   1 
ATOM   1487 C CA  . ARG A 1 191 ? 21.213  5.300   25.431 1.00 21.07 ? 191 ARG A CA  1 
ATOM   1488 C C   . ARG A 1 191 ? 22.283  4.948   26.452 1.00 17.36 ? 191 ARG A C   1 
ATOM   1489 O O   . ARG A 1 191 ? 23.421  5.415   26.376 1.00 21.61 ? 191 ARG A O   1 
ATOM   1490 C CB  . ARG A 1 191 ? 20.789  4.056   24.638 1.00 22.75 ? 191 ARG A CB  1 
ATOM   1491 C CG  . ARG A 1 191 ? 21.960  3.191   24.160 1.00 15.24 ? 191 ARG A CG  1 
ATOM   1492 C CD  . ARG A 1 191 ? 21.457  1.950   23.463 1.00 16.64 ? 191 ARG A CD  1 
ATOM   1493 N NE  . ARG A 1 191 ? 22.562  1.057   23.145 1.00 28.08 ? 191 ARG A NE  1 
ATOM   1494 C CZ  . ARG A 1 191 ? 23.076  0.184   24.004 1.00 20.75 ? 191 ARG A CZ  1 
ATOM   1495 N NH1 . ARG A 1 191 ? 22.657  0.119   25.256 1.00 16.98 ? 191 ARG A NH1 1 
ATOM   1496 N NH2 . ARG A 1 191 ? 24.058  -0.615  23.605 1.00 18.58 ? 191 ARG A NH2 1 
ATOM   1497 N N   . GLY A 1 192 ? 21.911  4.126   27.423 1.00 20.45 ? 192 GLY A N   1 
ATOM   1498 C CA  . GLY A 1 192 ? 22.889  3.712   28.402 1.00 26.31 ? 192 GLY A CA  1 
ATOM   1499 C C   . GLY A 1 192 ? 23.099  4.734   29.492 1.00 26.89 ? 192 GLY A C   1 
ATOM   1500 O O   . GLY A 1 192 ? 24.127  4.692   30.169 1.00 34.63 ? 192 GLY A O   1 
ATOM   1501 N N   . THR A 1 193 ? 22.170  5.673   29.663 1.00 27.44 ? 193 THR A N   1 
ATOM   1502 C CA  . THR A 1 193 ? 22.305  6.712   30.674 1.00 32.22 ? 193 THR A CA  1 
ATOM   1503 C C   . THR A 1 193 ? 21.839  6.246   32.040 1.00 27.17 ? 193 THR A C   1 
ATOM   1504 O O   . THR A 1 193 ? 22.041  6.967   33.024 1.00 27.29 ? 193 THR A O   1 
ATOM   1505 C CB  . THR A 1 193 ? 21.539  7.981   30.282 1.00 26.42 ? 193 THR A CB  1 
ATOM   1506 O OG1 . THR A 1 193 ? 20.134  7.770   30.419 1.00 27.05 ? 193 THR A OG1 1 
ATOM   1507 C CG2 . THR A 1 193 ? 21.812  8.347   28.857 1.00 33.77 ? 193 THR A CG2 1 
ATOM   1508 N N   . GLY A 1 194 ? 21.174  5.091   32.113 1.00 28.51 ? 194 GLY A N   1 
ATOM   1509 C CA  . GLY A 1 194 ? 20.675  4.571   33.373 1.00 36.21 ? 194 GLY A CA  1 
ATOM   1510 C C   . GLY A 1 194 ? 19.356  5.148   33.822 1.00 37.05 ? 194 GLY A C   1 
ATOM   1511 O O   . GLY A 1 194 ? 18.870  4.778   34.898 1.00 44.18 ? 194 GLY A O   1 
ATOM   1512 N N   . ASN A 1 195 ? 18.779  6.059   33.052 1.00 37.57 ? 195 ASN A N   1 
ATOM   1513 C CA  . ASN A 1 195 ? 17.461  6.589   33.353 1.00 36.76 ? 195 ASN A CA  1 
ATOM   1514 C C   . ASN A 1 195 ? 16.443  5.615   32.764 1.00 40.76 ? 195 ASN A C   1 
ATOM   1515 O O   . ASN A 1 195 ? 16.479  5.323   31.560 1.00 38.62 ? 195 ASN A O   1 
ATOM   1516 C CB  . ASN A 1 195 ? 17.324  7.988   32.762 1.00 35.01 ? 195 ASN A CB  1 
ATOM   1517 C CG  . ASN A 1 195 ? 15.897  8.467   32.708 1.00 40.51 ? 195 ASN A CG  1 
ATOM   1518 O OD1 . ASN A 1 195 ? 15.045  8.021   33.480 1.00 42.32 ? 195 ASN A OD1 1 
ATOM   1519 N ND2 . ASN A 1 195 ? 15.623  9.384   31.788 1.00 38.56 ? 195 ASN A ND2 1 
ATOM   1520 N N   . SER A 1 196 ? 15.568  5.075   33.613 1.00 36.20 ? 196 SER A N   1 
ATOM   1521 C CA  . SER A 1 196 ? 14.681  4.004   33.166 1.00 42.03 ? 196 SER A CA  1 
ATOM   1522 C C   . SER A 1 196 ? 13.727  4.476   32.080 1.00 24.87 ? 196 SER A C   1 
ATOM   1523 O O   . SER A 1 196 ? 13.280  3.672   31.256 1.00 24.02 ? 196 SER A O   1 
ATOM   1524 C CB  . SER A 1 196 ? 13.890  3.442   34.352 1.00 48.28 ? 196 SER A CB  1 
ATOM   1525 O OG  . SER A 1 196 ? 12.780  4.270   34.664 1.00 41.05 ? 196 SER A OG  1 
ATOM   1526 N N   . TYR A 1 197 ? 13.394  5.768   32.075 1.00 27.24 ? 197 TYR A N   1 
ATOM   1527 C CA  . TYR A 1 197 ? 12.482  6.312   31.080 1.00 25.83 ? 197 TYR A CA  1 
ATOM   1528 C C   . TYR A 1 197 ? 13.094  6.306   29.689 1.00 23.15 ? 197 TYR A C   1 
ATOM   1529 O O   . TYR A 1 197 ? 12.356  6.283   28.698 1.00 22.53 ? 197 TYR A O   1 
ATOM   1530 C CB  . TYR A 1 197 ? 12.093  7.745   31.446 1.00 26.36 ? 197 TYR A CB  1 
ATOM   1531 C CG  . TYR A 1 197 ? 11.172  7.838   32.633 1.00 32.53 ? 197 TYR A CG  1 
ATOM   1532 C CD1 . TYR A 1 197 ? 9.812   7.604   32.507 1.00 35.82 ? 197 TYR A CD1 1 
ATOM   1533 C CD2 . TYR A 1 197 ? 11.667  8.172   33.891 1.00 45.59 ? 197 TYR A CD2 1 
ATOM   1534 C CE1 . TYR A 1 197 ? 8.965   7.685   33.613 1.00 39.90 ? 197 TYR A CE1 1 
ATOM   1535 C CE2 . TYR A 1 197 ? 10.832  8.260   34.997 1.00 44.37 ? 197 TYR A CE2 1 
ATOM   1536 C CZ  . TYR A 1 197 ? 9.484   8.017   34.852 1.00 43.16 ? 197 TYR A CZ  1 
ATOM   1537 O OH  . TYR A 1 197 ? 8.657   8.106   35.949 1.00 50.85 ? 197 TYR A OH  1 
ATOM   1538 N N   . GLY A 1 198 ? 14.419  6.300   29.598 1.00 20.57 ? 198 GLY A N   1 
ATOM   1539 C CA  . GLY A 1 198 ? 15.102  6.584   28.356 1.00 22.16 ? 198 GLY A CA  1 
ATOM   1540 C C   . GLY A 1 198 ? 15.249  8.070   28.151 1.00 15.25 ? 198 GLY A C   1 
ATOM   1541 O O   . GLY A 1 198 ? 14.456  8.858   28.671 1.00 17.29 ? 198 GLY A O   1 
ATOM   1542 N N   . VAL A 1 199 ? 16.266  8.470   27.397 1.00 13.53 ? 199 VAL A N   1 
ATOM   1543 C CA  . VAL A 1 199 ? 16.368  9.865   27.003 1.00 16.68 ? 199 VAL A CA  1 
ATOM   1544 C C   . VAL A 1 199 ? 15.109  10.265  26.246 1.00 17.59 ? 199 VAL A C   1 
ATOM   1545 O O   . VAL A 1 199 ? 14.660  9.562   25.333 1.00 18.97 ? 199 VAL A O   1 
ATOM   1546 C CB  . VAL A 1 199 ? 17.636  10.085  26.167 1.00 21.50 ? 199 VAL A CB  1 
ATOM   1547 C CG1 . VAL A 1 199 ? 17.680  11.514  25.606 1.00 18.78 ? 199 VAL A CG1 1 
ATOM   1548 C CG2 . VAL A 1 199 ? 18.869  9.764   27.005 1.00 14.99 ? 199 VAL A CG2 1 
ATOM   1549 N N   . CYS A 1 200 ? 14.527  11.401  26.637 1.00 21.51 ? 200 CYS A N   1 
ATOM   1550 C CA  . CYS A 1 200 ? 13.261  11.894  26.090 1.00 18.87 ? 200 CYS A CA  1 
ATOM   1551 C C   . CYS A 1 200 ? 12.106  10.909  26.250 1.00 17.58 ? 200 CYS A C   1 
ATOM   1552 O O   . CYS A 1 200 ? 11.181  10.900  25.436 1.00 16.76 ? 200 CYS A O   1 
ATOM   1553 C CB  . CYS A 1 200 ? 13.411  12.291  24.620 1.00 18.34 ? 200 CYS A CB  1 
ATOM   1554 S SG  . CYS A 1 200 ? 14.797  13.415  24.283 1.00 40.59 ? 200 CYS A SG  1 
ATOM   1555 N N   . GLY A 1 201 ? 12.138  10.081  27.297 1.00 16.90 ? 201 GLY A N   1 
ATOM   1556 C CA  . GLY A 1 201 ? 11.057  9.136   27.525 1.00 15.47 ? 201 GLY A CA  1 
ATOM   1557 C C   . GLY A 1 201 ? 10.994  8.022   26.518 1.00 15.48 ? 201 GLY A C   1 
ATOM   1558 O O   . GLY A 1 201 ? 9.947   7.390   26.374 1.00 18.16 ? 201 GLY A O   1 
ATOM   1559 N N   . LEU A 1 202 ? 12.117  7.729   25.860 1.00 13.56 ? 202 LEU A N   1 
ATOM   1560 C CA  . LEU A 1 202 ? 12.142  6.829   24.720 1.00 16.72 ? 202 LEU A CA  1 
ATOM   1561 C C   . LEU A 1 202 ? 11.630  5.425   25.030 1.00 24.14 ? 202 LEU A C   1 
ATOM   1562 O O   . LEU A 1 202 ? 11.248  4.703   24.102 1.00 20.14 ? 202 LEU A O   1 
ATOM   1563 C CB  . LEU A 1 202 ? 13.582  6.753   24.199 1.00 18.29 ? 202 LEU A CB  1 
ATOM   1564 C CG  . LEU A 1 202 ? 13.861  6.005   22.898 1.00 27.03 ? 202 LEU A CG  1 
ATOM   1565 C CD1 . LEU A 1 202 ? 13.060  6.617   21.757 1.00 19.21 ? 202 LEU A CD1 1 
ATOM   1566 C CD2 . LEU A 1 202 ? 15.333  6.028   22.588 1.00 33.15 ? 202 LEU A CD2 1 
ATOM   1567 N N   . TYR A 1 203 ? 11.587  5.019   26.297 1.00 18.86 ? 203 TYR A N   1 
ATOM   1568 C CA  . TYR A 1 203 ? 11.166  3.669   26.636 1.00 17.91 ? 203 TYR A CA  1 
ATOM   1569 C C   . TYR A 1 203 ? 9.727   3.622   27.129 1.00 17.80 ? 203 TYR A C   1 
ATOM   1570 O O   . TYR A 1 203 ? 9.320   2.631   27.741 1.00 22.57 ? 203 TYR A O   1 
ATOM   1571 C CB  . TYR A 1 203 ? 12.105  3.095   27.696 1.00 23.29 ? 203 TYR A CB  1 
ATOM   1572 C CG  . TYR A 1 203 ? 13.568  3.237   27.338 1.00 22.53 ? 203 TYR A CG  1 
ATOM   1573 C CD1 . TYR A 1 203 ? 14.535  3.339   28.331 1.00 21.27 ? 203 TYR A CD1 1 
ATOM   1574 C CD2 . TYR A 1 203 ? 13.985  3.265   26.006 1.00 25.87 ? 203 TYR A CD2 1 
ATOM   1575 C CE1 . TYR A 1 203 ? 15.882  3.483   28.020 1.00 21.00 ? 203 TYR A CE1 1 
ATOM   1576 C CE2 . TYR A 1 203 ? 15.331  3.408   25.680 1.00 22.04 ? 203 TYR A CE2 1 
ATOM   1577 C CZ  . TYR A 1 203 ? 16.274  3.519   26.700 1.00 23.57 ? 203 TYR A CZ  1 
ATOM   1578 O OH  . TYR A 1 203 ? 17.612  3.650   26.396 1.00 26.98 ? 203 TYR A OH  1 
ATOM   1579 N N   . THR A 1 204 ? 8.959   4.687   26.904 1.00 16.68 ? 204 THR A N   1 
ATOM   1580 C CA  . THR A 1 204 ? 7.629   4.777   27.498 1.00 17.30 ? 204 THR A CA  1 
ATOM   1581 C C   . THR A 1 204 ? 6.629   3.818   26.853 1.00 14.42 ? 204 THR A C   1 
ATOM   1582 O O   . THR A 1 204 ? 5.865   3.147   27.552 1.00 17.65 ? 204 THR A O   1 
ATOM   1583 C CB  . THR A 1 204 ? 7.124   6.212   27.367 1.00 19.39 ? 204 THR A CB  1 
ATOM   1584 O OG1 . THR A 1 204 ? 7.992   7.102   28.077 1.00 18.67 ? 204 THR A OG1 1 
ATOM   1585 C CG2 . THR A 1 204 ? 5.688   6.341   27.871 1.00 16.84 ? 204 THR A CG2 1 
ATOM   1586 N N   . SER A 1 205 ? 6.633   3.702   25.528 1.00 16.11 ? 205 SER A N   1 
ATOM   1587 C CA  . SER A 1 205 ? 5.527   3.016   24.858 1.00 20.34 ? 205 SER A CA  1 
ATOM   1588 C C   . SER A 1 205 ? 6.002   2.575   23.475 1.00 23.23 ? 205 SER A C   1 
ATOM   1589 O O   . SER A 1 205 ? 5.996   3.373   22.531 1.00 20.96 ? 205 SER A O   1 
ATOM   1590 C CB  . SER A 1 205 ? 4.312   3.925   24.759 1.00 19.12 ? 205 SER A CB  1 
ATOM   1591 O OG  . SER A 1 205 ? 3.209   3.239   24.198 1.00 29.73 ? 205 SER A OG  1 
ATOM   1592 N N   . SER A 1 206 ? 6.335   1.303   23.351 1.00 9.95  ? 206 SER A N   1 
ATOM   1593 C CA  . SER A 1 206 ? 6.950   0.818   22.135 1.00 13.21 ? 206 SER A CA  1 
ATOM   1594 C C   . SER A 1 206 ? 6.214   -0.411  21.644 1.00 16.73 ? 206 SER A C   1 
ATOM   1595 O O   . SER A 1 206 ? 5.978   -1.346  22.414 1.00 24.30 ? 206 SER A O   1 
ATOM   1596 C CB  . SER A 1 206 ? 8.421   0.520   22.364 1.00 16.20 ? 206 SER A CB  1 
ATOM   1597 O OG  . SER A 1 206 ? 9.027   1.658   22.939 1.00 25.83 ? 206 SER A OG  1 
ATOM   1598 N N   . PHE A 1 207 ? 5.894   -0.428  20.355 1.00 20.27 ? 207 PHE A N   1 
ATOM   1599 C CA  . PHE A 1 207 ? 5.093   -1.489  19.770 1.00 15.53 ? 207 PHE A CA  1 
ATOM   1600 C C   . PHE A 1 207 ? 5.728   -1.889  18.453 1.00 18.90 ? 207 PHE A C   1 
ATOM   1601 O O   . PHE A 1 207 ? 6.408   -1.085  17.811 1.00 18.96 ? 207 PHE A O   1 
ATOM   1602 C CB  . PHE A 1 207 ? 3.656   -1.025  19.502 1.00 17.55 ? 207 PHE A CB  1 
ATOM   1603 C CG  . PHE A 1 207 ? 2.860   -0.762  20.743 1.00 21.69 ? 207 PHE A CG  1 
ATOM   1604 C CD1 . PHE A 1 207 ? 2.898   0.492   21.348 1.00 17.30 ? 207 PHE A CD1 1 
ATOM   1605 C CD2 . PHE A 1 207 ? 2.072   -1.757  21.308 1.00 17.75 ? 207 PHE A CD2 1 
ATOM   1606 C CE1 . PHE A 1 207 ? 2.169   0.752   22.502 1.00 20.90 ? 207 PHE A CE1 1 
ATOM   1607 C CE2 . PHE A 1 207 ? 1.335   -1.506  22.459 1.00 19.58 ? 207 PHE A CE2 1 
ATOM   1608 C CZ  . PHE A 1 207 ? 1.389   -0.249  23.061 1.00 17.61 ? 207 PHE A CZ  1 
ATOM   1609 N N   . TYR A 1 208 ? 5.507   -3.138  18.054 1.00 19.71 ? 208 TYR A N   1 
ATOM   1610 C CA  . TYR A 1 208 ? 5.980   -3.568  16.752 1.00 14.62 ? 208 TYR A CA  1 
ATOM   1611 C C   . TYR A 1 208 ? 4.966   -4.558  16.205 1.00 16.58 ? 208 TYR A C   1 
ATOM   1612 O O   . TYR A 1 208 ? 4.330   -5.285  16.983 1.00 19.46 ? 208 TYR A O   1 
ATOM   1613 C CB  . TYR A 1 208 ? 7.380   -4.185  16.833 1.00 14.14 ? 208 TYR A CB  1 
ATOM   1614 C CG  . TYR A 1 208 ? 7.504   -5.317  17.823 1.00 26.58 ? 208 TYR A CG  1 
ATOM   1615 C CD1 . TYR A 1 208 ? 7.798   -5.072  19.158 1.00 19.30 ? 208 TYR A CD1 1 
ATOM   1616 C CD2 . TYR A 1 208 ? 7.389   -6.642  17.406 1.00 23.16 ? 208 TYR A CD2 1 
ATOM   1617 C CE1 . TYR A 1 208 ? 7.938   -6.110  20.054 1.00 23.29 ? 208 TYR A CE1 1 
ATOM   1618 C CE2 . TYR A 1 208 ? 7.523   -7.689  18.304 1.00 22.87 ? 208 TYR A CE2 1 
ATOM   1619 C CZ  . TYR A 1 208 ? 7.797   -7.416  19.622 1.00 20.29 ? 208 TYR A CZ  1 
ATOM   1620 O OH  . TYR A 1 208 ? 7.921   -8.452  20.519 1.00 24.44 ? 208 TYR A OH  1 
ATOM   1621 N N   . PRO A 1 209 ? 4.817   -4.640  14.886 1.00 15.01 ? 209 PRO A N   1 
ATOM   1622 C CA  . PRO A 1 209 ? 3.901   -5.625  14.309 1.00 22.29 ? 209 PRO A CA  1 
ATOM   1623 C C   . PRO A 1 209 ? 4.521   -7.004  14.239 1.00 15.37 ? 209 PRO A C   1 
ATOM   1624 O O   . PRO A 1 209 ? 5.737   -7.152  14.112 1.00 18.32 ? 209 PRO A O   1 
ATOM   1625 C CB  . PRO A 1 209 ? 3.675   -5.086  12.891 1.00 22.84 ? 209 PRO A CB  1 
ATOM   1626 C CG  . PRO A 1 209 ? 5.013   -4.488  12.572 1.00 23.00 ? 209 PRO A CG  1 
ATOM   1627 C CD  . PRO A 1 209 ? 5.429   -3.798  13.843 1.00 14.99 ? 209 PRO A CD  1 
ATOM   1628 N N   . VAL A 1 210 ? 3.667   -8.022  14.320 1.00 18.15 ? 210 VAL A N   1 
ATOM   1629 C CA  . VAL A 1 210 ? 4.091   -9.408  14.147 1.00 28.35 ? 210 VAL A CA  1 
ATOM   1630 C C   . VAL A 1 210 ? 3.466   -9.937  12.863 1.00 26.96 ? 210 VAL A C   1 
ATOM   1631 O O   . VAL A 1 210 ? 2.251   -9.789  12.642 1.00 27.50 ? 210 VAL A O   1 
ATOM   1632 C CB  . VAL A 1 210 ? 3.746   -10.303 15.354 1.00 31.89 ? 210 VAL A CB  1 
ATOM   1633 C CG1 . VAL A 1 210 ? 2.327   -10.146 15.755 1.00 29.60 ? 210 VAL A CG1 1 
ATOM   1634 C CG2 . VAL A 1 210 ? 4.001   -11.780 15.013 1.00 32.03 ? 210 VAL A CG2 1 
ATOM   1635 N N   . LYS A 1 211 ? 4.292   -10.610 12.060 1.00 29.11 ? 211 LYS A N   1 
ATOM   1636 C CA  . LYS A 1 211 ? 3.919   -11.176 10.769 1.00 39.59 ? 211 LYS A CA  1 
ATOM   1637 C C   . LYS A 1 211 ? 4.661   -12.495 10.617 1.00 38.22 ? 211 LYS A C   1 
ATOM   1638 O O   . LYS A 1 211 ? 5.895   -12.513 10.571 1.00 37.66 ? 211 LYS A O   1 
ATOM   1639 C CB  . LYS A 1 211 ? 4.265   -10.225 9.618  1.00 35.40 ? 211 LYS A CB  1 
ATOM   1640 C CG  . LYS A 1 211 ? 3.322   -10.307 8.437  1.00 32.06 ? 211 LYS A CG  1 
ATOM   1641 C CD  . LYS A 1 211 ? 3.972   -10.973 7.242  1.00 36.20 ? 211 LYS A CD  1 
ATOM   1642 C CE  . LYS A 1 211 ? 3.080   -10.856 6.016  1.00 46.78 ? 211 LYS A CE  1 
ATOM   1643 N NZ  . LYS A 1 211 ? 1.732   -11.460 6.240  1.00 36.04 ? 211 LYS A NZ  1 
ATOM   1644 N N   . ASN A 1 212 ? 3.921   -13.586 10.524 1.00 37.09 ? 212 ASN A N   1 
ATOM   1645 C CA  . ASN A 1 212 ? 4.533   -14.894 10.375 1.00 46.48 ? 212 ASN A CA  1 
ATOM   1646 C C   . ASN A 1 212 ? 5.016   -15.132 8.935  1.00 60.97 ? 212 ASN A C   1 
ATOM   1647 O O   . ASN A 1 212 ? 5.987   -15.854 8.693  1.00 57.14 ? 212 ASN A O   1 
ATOM   1648 C CB  . ASN A 1 212 ? 3.530   -15.964 10.809 1.00 46.80 ? 212 ASN A CB  1 
ATOM   1649 C CG  . ASN A 1 212 ? 3.001   -15.713 12.214 1.00 50.02 ? 212 ASN A CG  1 
ATOM   1650 O OD1 . ASN A 1 212 ? 3.768   -15.427 13.142 1.00 34.78 ? 212 ASN A OD1 1 
ATOM   1651 N ND2 . ASN A 1 212 ? 1.676   -15.771 12.365 1.00 39.59 ? 212 ASN A ND2 1 
ATOM   1652 O OXT . ASN A 1 212 ? 4.474   -14.588 7.967  1.00 55.56 ? 212 ASN A OXT 1 
HETATM 1653 C C1  . E64 B 2 .   ? 2.688   14.164  15.836 0.73 24.35 ? 301 E64 A C1  1 
HETATM 1654 O O1  . E64 B 2 .   ? 3.663   14.892  16.059 0.73 24.27 ? 301 E64 A O1  1 
HETATM 1655 O O2  . E64 B 2 .   ? 2.063   14.103  14.736 0.73 21.82 ? 301 E64 A O2  1 
HETATM 1656 C C2  . E64 B 2 .   ? 2.175   13.248  16.953 0.73 27.81 ? 301 E64 A C2  1 
HETATM 1657 C C3  . E64 B 2 .   ? 0.704   13.397  17.340 0.73 25.59 ? 301 E64 A C3  1 
HETATM 1658 O O3  . E64 B 2 .   ? 0.465   14.667  17.898 0.73 29.90 ? 301 E64 A O3  1 
HETATM 1659 C C4  . E64 B 2 .   ? 0.299   12.224  18.249 0.73 24.28 ? 301 E64 A C4  1 
HETATM 1660 O O4  . E64 B 2 .   ? -0.143  11.187  17.785 0.73 20.98 ? 301 E64 A O4  1 
HETATM 1661 N N1  . E64 B 2 .   ? 0.469   12.363  19.567 0.73 29.24 ? 301 E64 A N1  1 
HETATM 1662 C C6  . E64 B 2 .   ? 0.115   11.268  20.450 0.73 30.89 ? 301 E64 A C6  1 
HETATM 1663 C C7  . E64 B 2 .   ? 1.177   11.074  21.511 0.73 36.08 ? 301 E64 A C7  1 
HETATM 1664 C C8  . E64 B 2 .   ? 1.635   9.626   21.636 0.73 32.37 ? 301 E64 A C8  1 
HETATM 1665 C C9  . E64 B 2 .   ? 1.695   8.997   20.246 0.73 29.36 ? 301 E64 A C9  1 
HETATM 1666 C C10 . E64 B 2 .   ? 2.995   9.579   22.311 0.73 29.89 ? 301 E64 A C10 1 
HETATM 1667 C C11 . E64 B 2 .   ? -1.238  11.509  21.112 0.73 26.81 ? 301 E64 A C11 1 
HETATM 1668 O O5  . E64 B 2 .   ? -1.510  12.590  21.616 0.73 28.82 ? 301 E64 A O5  1 
HETATM 1669 N N2  . E64 B 2 .   ? -2.057  10.449  21.077 0.73 26.76 ? 301 E64 A N2  1 
HETATM 1670 C C12 . E64 B 2 .   ? -3.392  10.435  21.629 0.73 25.19 ? 301 E64 A C12 1 
HETATM 1671 C C13 . E64 B 2 .   ? -4.399  11.091  20.689 0.73 34.19 ? 301 E64 A C13 1 
HETATM 1672 C C14 . E64 B 2 .   ? -5.486  11.863  21.413 0.73 40.41 ? 301 E64 A C14 1 
HETATM 1673 C C15 . E64 B 2 .   ? -5.383  13.373  21.221 0.73 43.63 ? 301 E64 A C15 1 
HETATM 1674 N N3  . E64 B 2 .   ? -6.414  13.911  20.347 0.73 43.72 ? 301 E64 A N3  1 
HETATM 1675 C C16 . E64 B 2 .   ? -7.733  13.869  20.577 0.73 42.21 ? 301 E64 A C16 1 
HETATM 1676 N N4  . E64 B 2 .   ? -8.255  13.314  21.659 0.73 34.84 ? 301 E64 A N4  1 
HETATM 1677 N N5  . E64 B 2 .   ? -8.568  14.408  19.678 0.73 32.17 ? 301 E64 A N5  1 
HETATM 1678 O O   . HOH C 3 .   ? 8.933   4.629   23.668 1.00 16.58 ? 401 HOH A O   1 
HETATM 1679 O O   . HOH C 3 .   ? -11.924 9.066   8.465  1.00 21.15 ? 402 HOH A O   1 
HETATM 1680 O O   . HOH C 3 .   ? 5.206   16.473  15.053 1.00 15.82 ? 403 HOH A O   1 
HETATM 1681 O O   . HOH C 3 .   ? 16.124  -5.985  29.822 1.00 18.44 ? 404 HOH A O   1 
HETATM 1682 O O   . HOH C 3 .   ? 2.762   -5.573  -0.174 1.00 17.38 ? 405 HOH A O   1 
HETATM 1683 O O   . HOH C 3 .   ? 7.347   9.755   13.304 1.00 11.43 ? 406 HOH A O   1 
HETATM 1684 O O   . HOH C 3 .   ? 17.634  6.697   26.203 1.00 12.31 ? 407 HOH A O   1 
HETATM 1685 O O   . HOH C 3 .   ? 10.435  -8.274  21.069 1.00 18.61 ? 408 HOH A O   1 
HETATM 1686 O O   . HOH C 3 .   ? 21.015  9.465   9.181  1.00 17.65 ? 409 HOH A O   1 
HETATM 1687 O O   . HOH C 3 .   ? 7.569   -9.504  15.017 1.00 24.54 ? 410 HOH A O   1 
HETATM 1688 O O   . HOH C 3 .   ? -5.251  9.477   0.069  1.00 16.81 ? 411 HOH A O   1 
HETATM 1689 O O   . HOH C 3 .   ? 17.505  0.861   3.129  1.00 22.44 ? 412 HOH A O   1 
HETATM 1690 O O   . HOH C 3 .   ? -11.453 11.844  13.522 1.00 19.91 ? 413 HOH A O   1 
HETATM 1691 O O   . HOH C 3 .   ? 10.815  0.618   7.450  1.00 16.73 ? 414 HOH A O   1 
HETATM 1692 O O   . HOH C 3 .   ? 17.764  21.785  7.402  1.00 25.49 ? 415 HOH A O   1 
HETATM 1693 O O   . HOH C 3 .   ? 7.683   -11.032 12.804 1.00 20.39 ? 416 HOH A O   1 
HETATM 1694 O O   . HOH C 3 .   ? 24.160  -5.024  8.302  1.00 35.70 ? 417 HOH A O   1 
HETATM 1695 O O   . HOH C 3 .   ? 4.463   3.663   20.261 1.00 15.56 ? 418 HOH A O   1 
HETATM 1696 O O   . HOH C 3 .   ? -6.822  -2.197  3.708  1.00 17.40 ? 419 HOH A O   1 
HETATM 1697 O O   . HOH C 3 .   ? 21.288  -4.367  10.904 1.00 16.44 ? 420 HOH A O   1 
HETATM 1698 O O   . HOH C 3 .   ? 10.061  17.999  3.425  1.00 18.27 ? 421 HOH A O   1 
HETATM 1699 O O   . HOH C 3 .   ? -9.275  -2.403  4.622  1.00 22.79 ? 422 HOH A O   1 
# 
