data_9MOQ
# 
_entry.id   9MOQ 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.400 
_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   9MOQ         pdb_00009moq 10.2210/pdb9moq/pdb 
WWPDB D_1000291454 ?            ?                   
EMDB  EMD-48478    ?            ?                   
# 
_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       2025-01-15 
# 
_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                  ? 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9MOQ 
_pdbx_database_status.recvd_initial_deposition_date   2024-12-26 
_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        EMDB 
_pdbx_database_related.details        'Cryo-EM of F-pilus' 
_pdbx_database_related.db_id          EMD-48478 
_pdbx_database_related.content_type   'associated EM volume' 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              egelman@virginia.edu 
_pdbx_contact_author.name_first         Edward 
_pdbx_contact_author.name_last          Egelman 
_pdbx_contact_author.name_mi            H 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-4844-5212 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Sonani, R.R.'       1 ? 
'Francetic, O.'      2 ? 
'Lejeune, M.'        3 ? 
'Izadi-Pruneyre, N.' 4 ? 
'Egelman, E.H.'      5 ? 
# 
_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                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Cryo-EM of F-pilus' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
_citation_author.citation_id        primary 
_citation_author.name               'Sonani, R.R.' 
_citation_author.ordinal            1 
_citation_author.identifier_ORCID   ? 
# 
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 Pilin                                             12780.441 1 ? ? ? ? 
2 non-polymer syn 1-MYRISTOYL-2-MYRISTOLEOYL-SN-GLYCERO-3-PHOSPHATE 589.761   1 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        F-pilin 
# 
_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       
;MNAVLSVQGASAPVKKKSFFSKFTRLNMLRLARAVIPAAVLMMFFPQLAMAAGSSGQDLMASGNTTVKATFGKDSSVVKW
VVLAEVLVGAVMYMMTKNVKFLAGFAIISVFIAVGMAVVGL
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MNAVLSVQGASAPVKKKSFFSKFTRLNMLRLARAVIPAAVLMMFFPQLAMAAGSSGQDLMASGNTTVKATFGKDSSVVKW
VVLAEVLVGAVMYMMTKNVKFLAGFAIISVFIAVGMAVVGL
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        1-MYRISTOYL-2-MYRISTOLEOYL-SN-GLYCERO-3-PHOSPHATE 
_pdbx_entity_nonpoly.comp_id     X41 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   ASN n 
1 3   ALA n 
1 4   VAL n 
1 5   LEU n 
1 6   SER n 
1 7   VAL n 
1 8   GLN n 
1 9   GLY n 
1 10  ALA n 
1 11  SER n 
1 12  ALA n 
1 13  PRO n 
1 14  VAL n 
1 15  LYS n 
1 16  LYS n 
1 17  LYS n 
1 18  SER n 
1 19  PHE n 
1 20  PHE n 
1 21  SER n 
1 22  LYS n 
1 23  PHE n 
1 24  THR n 
1 25  ARG n 
1 26  LEU n 
1 27  ASN n 
1 28  MET n 
1 29  LEU n 
1 30  ARG n 
1 31  LEU n 
1 32  ALA n 
1 33  ARG n 
1 34  ALA n 
1 35  VAL n 
1 36  ILE n 
1 37  PRO n 
1 38  ALA n 
1 39  ALA n 
1 40  VAL n 
1 41  LEU n 
1 42  MET n 
1 43  MET n 
1 44  PHE n 
1 45  PHE n 
1 46  PRO n 
1 47  GLN n 
1 48  LEU n 
1 49  ALA n 
1 50  MET n 
1 51  ALA n 
1 52  ALA n 
1 53  GLY n 
1 54  SER n 
1 55  SER n 
1 56  GLY n 
1 57  GLN n 
1 58  ASP n 
1 59  LEU n 
1 60  MET n 
1 61  ALA n 
1 62  SER n 
1 63  GLY n 
1 64  ASN n 
1 65  THR n 
1 66  THR n 
1 67  VAL n 
1 68  LYS n 
1 69  ALA n 
1 70  THR n 
1 71  PHE n 
1 72  GLY n 
1 73  LYS n 
1 74  ASP n 
1 75  SER n 
1 76  SER n 
1 77  VAL n 
1 78  VAL n 
1 79  LYS n 
1 80  TRP n 
1 81  VAL n 
1 82  VAL n 
1 83  LEU n 
1 84  ALA n 
1 85  GLU n 
1 86  VAL n 
1 87  LEU n 
1 88  VAL n 
1 89  GLY n 
1 90  ALA n 
1 91  VAL n 
1 92  MET n 
1 93  TYR n 
1 94  MET n 
1 95  MET n 
1 96  THR n 
1 97  LYS n 
1 98  ASN n 
1 99  VAL n 
1 100 LYS n 
1 101 PHE n 
1 102 LEU n 
1 103 ALA n 
1 104 GLY n 
1 105 PHE n 
1 106 ALA n 
1 107 ILE n 
1 108 ILE n 
1 109 SER n 
1 110 VAL n 
1 111 PHE n 
1 112 ILE n 
1 113 ALA n 
1 114 VAL n 
1 115 GLY n 
1 116 MET n 
1 117 ALA n 
1 118 VAL n 
1 119 VAL n 
1 120 GLY n 
1 121 LEU 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           121 
_entity_src_nat.common_name                ? 
_entity_src_nat.pdbx_organism_scientific   'Escherichia coli' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      562 
_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 
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  
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 
MET 'L-peptide linking' y METHIONINE                                        ? 'C5 H11 N O2 S'   149.211 
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 
X41 non-polymer         . 1-MYRISTOYL-2-MYRISTOLEOYL-SN-GLYCERO-3-PHOSPHATE ? 'C31 H58 O8 P -1' 589.761 
# 
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   MET 1   -50 ?  ?   ?   A . n 
A 1 2   ASN 2   -49 ?  ?   ?   A . n 
A 1 3   ALA 3   -48 ?  ?   ?   A . n 
A 1 4   VAL 4   -47 ?  ?   ?   A . n 
A 1 5   LEU 5   -46 ?  ?   ?   A . n 
A 1 6   SER 6   -45 ?  ?   ?   A . n 
A 1 7   VAL 7   -44 ?  ?   ?   A . n 
A 1 8   GLN 8   -43 ?  ?   ?   A . n 
A 1 9   GLY 9   -42 ?  ?   ?   A . n 
A 1 10  ALA 10  -41 ?  ?   ?   A . n 
A 1 11  SER 11  -40 ?  ?   ?   A . n 
A 1 12  ALA 12  -39 ?  ?   ?   A . n 
A 1 13  PRO 13  -38 ?  ?   ?   A . n 
A 1 14  VAL 14  -37 ?  ?   ?   A . n 
A 1 15  LYS 15  -36 ?  ?   ?   A . n 
A 1 16  LYS 16  -35 ?  ?   ?   A . n 
A 1 17  LYS 17  -34 ?  ?   ?   A . n 
A 1 18  SER 18  -33 ?  ?   ?   A . n 
A 1 19  PHE 19  -32 ?  ?   ?   A . n 
A 1 20  PHE 20  -31 ?  ?   ?   A . n 
A 1 21  SER 21  -30 ?  ?   ?   A . n 
A 1 22  LYS 22  -29 ?  ?   ?   A . n 
A 1 23  PHE 23  -28 ?  ?   ?   A . n 
A 1 24  THR 24  -27 ?  ?   ?   A . n 
A 1 25  ARG 25  -26 ?  ?   ?   A . n 
A 1 26  LEU 26  -25 ?  ?   ?   A . n 
A 1 27  ASN 27  -24 ?  ?   ?   A . n 
A 1 28  MET 28  -23 ?  ?   ?   A . n 
A 1 29  LEU 29  -22 ?  ?   ?   A . n 
A 1 30  ARG 30  -21 ?  ?   ?   A . n 
A 1 31  LEU 31  -20 ?  ?   ?   A . n 
A 1 32  ALA 32  -19 ?  ?   ?   A . n 
A 1 33  ARG 33  -18 ?  ?   ?   A . n 
A 1 34  ALA 34  -17 ?  ?   ?   A . n 
A 1 35  VAL 35  -16 ?  ?   ?   A . n 
A 1 36  ILE 36  -15 ?  ?   ?   A . n 
A 1 37  PRO 37  -14 ?  ?   ?   A . n 
A 1 38  ALA 38  -13 ?  ?   ?   A . n 
A 1 39  ALA 39  -12 ?  ?   ?   A . n 
A 1 40  VAL 40  -11 ?  ?   ?   A . n 
A 1 41  LEU 41  -10 ?  ?   ?   A . n 
A 1 42  MET 42  -9  ?  ?   ?   A . n 
A 1 43  MET 43  -8  ?  ?   ?   A . n 
A 1 44  PHE 44  -7  ?  ?   ?   A . n 
A 1 45  PHE 45  -6  ?  ?   ?   A . n 
A 1 46  PRO 46  -5  ?  ?   ?   A . n 
A 1 47  GLN 47  -4  ?  ?   ?   A . n 
A 1 48  LEU 48  -3  ?  ?   ?   A . n 
A 1 49  ALA 49  -2  ?  ?   ?   A . n 
A 1 50  MET 50  -1  ?  ?   ?   A . n 
A 1 51  ALA 51  0   ?  ?   ?   A . n 
A 1 52  ALA 52  1   ?  ?   ?   A . n 
A 1 53  GLY 53  2   ?  ?   ?   A . n 
A 1 54  SER 54  3   ?  ?   ?   A . n 
A 1 55  SER 55  4   ?  ?   ?   A . n 
A 1 56  GLY 56  5   ?  ?   ?   A . n 
A 1 57  GLN 57  6   6  GLN GLN A . n 
A 1 58  ASP 58  7   7  ASP ASP A . n 
A 1 59  LEU 59  8   8  LEU LEU A . n 
A 1 60  MET 60  9   9  MET MET A . n 
A 1 61  ALA 61  10  10 ALA ALA A . n 
A 1 62  SER 62  11  11 SER SER A . n 
A 1 63  GLY 63  12  12 GLY GLY A . n 
A 1 64  ASN 64  13  13 ASN ASN A . n 
A 1 65  THR 65  14  14 THR THR A . n 
A 1 66  THR 66  15  15 THR THR A . n 
A 1 67  VAL 67  16  16 VAL VAL A . n 
A 1 68  LYS 68  17  17 LYS LYS A . n 
A 1 69  ALA 69  18  18 ALA ALA A . n 
A 1 70  THR 70  19  19 THR THR A . n 
A 1 71  PHE 71  20  20 PHE PHE A . n 
A 1 72  GLY 72  21  21 GLY GLY A . n 
A 1 73  LYS 73  22  22 LYS LYS A . n 
A 1 74  ASP 74  23  23 ASP ASP A . n 
A 1 75  SER 75  24  24 SER SER A . n 
A 1 76  SER 76  25  25 SER SER A . n 
A 1 77  VAL 77  26  26 VAL VAL A . n 
A 1 78  VAL 78  27  27 VAL VAL A . n 
A 1 79  LYS 79  28  28 LYS LYS A . n 
A 1 80  TRP 80  29  29 TRP TRP A . n 
A 1 81  VAL 81  30  30 VAL VAL A . n 
A 1 82  VAL 82  31  31 VAL VAL A . n 
A 1 83  LEU 83  32  32 LEU LEU A . n 
A 1 84  ALA 84  33  33 ALA ALA A . n 
A 1 85  GLU 85  34  34 GLU GLU A . n 
A 1 86  VAL 86  35  35 VAL VAL A . n 
A 1 87  LEU 87  36  36 LEU LEU A . n 
A 1 88  VAL 88  37  37 VAL VAL A . n 
A 1 89  GLY 89  38  38 GLY GLY A . n 
A 1 90  ALA 90  39  39 ALA ALA A . n 
A 1 91  VAL 91  40  40 VAL VAL A . n 
A 1 92  MET 92  41  41 MET MET A . n 
A 1 93  TYR 93  42  42 TYR TYR A . n 
A 1 94  MET 94  43  43 MET MET A . n 
A 1 95  MET 95  44  44 MET MET A . n 
A 1 96  THR 96  45  45 THR THR A . n 
A 1 97  LYS 97  46  46 LYS LYS A . n 
A 1 98  ASN 98  47  47 ASN ASN A . n 
A 1 99  VAL 99  48  48 VAL VAL A . n 
A 1 100 LYS 100 49  49 LYS LYS A . n 
A 1 101 PHE 101 50  50 PHE PHE A . n 
A 1 102 LEU 102 51  51 LEU LEU A . n 
A 1 103 ALA 103 52  52 ALA ALA A . n 
A 1 104 GLY 104 53  53 GLY GLY A . n 
A 1 105 PHE 105 54  54 PHE PHE A . n 
A 1 106 ALA 106 55  55 ALA ALA A . n 
A 1 107 ILE 107 56  56 ILE ILE A . n 
A 1 108 ILE 108 57  57 ILE ILE A . n 
A 1 109 SER 109 58  58 SER SER A . n 
A 1 110 VAL 110 59  59 VAL VAL A . n 
A 1 111 PHE 111 60  60 PHE PHE A . n 
A 1 112 ILE 112 61  61 ILE ILE A . n 
A 1 113 ALA 113 62  62 ALA ALA A . n 
A 1 114 VAL 114 63  63 VAL VAL A . n 
A 1 115 GLY 115 64  64 GLY GLY A . n 
A 1 116 MET 116 65  65 MET MET A . n 
A 1 117 ALA 117 66  66 ALA ALA A . n 
A 1 118 VAL 118 67  67 VAL VAL A . n 
A 1 119 VAL 119 68  68 VAL VAL A . n 
A 1 120 GLY 120 69  69 GLY GLY A . n 
A 1 121 LEU 121 70  70 LEU LEU A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        X41 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   X41 
_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        ? 
# 
_pdbx_nonpoly_scheme.asym_id         B 
_pdbx_nonpoly_scheme.entity_id       2 
_pdbx_nonpoly_scheme.mon_id          X41 
_pdbx_nonpoly_scheme.ndb_seq_num     1 
_pdbx_nonpoly_scheme.pdb_seq_num     101 
_pdbx_nonpoly_scheme.auth_seq_num    101 
_pdbx_nonpoly_scheme.pdb_mon_id      X41 
_pdbx_nonpoly_scheme.auth_mon_id     46F 
_pdbx_nonpoly_scheme.pdb_strand_id   A 
_pdbx_nonpoly_scheme.pdb_ins_code    . 
# 
_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                     9MOQ 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     1.00 
_cell.length_a_esd                 ? 
_cell.length_b                     1.00 
_cell.length_b_esd                 ? 
_cell.length_c                     1.00 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        ? 
_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                         9MOQ 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                1 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 1' 
_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                   9MOQ 
_exptl.crystals_number            ? 
_exptl.details                    ? 
_exptl.method                     'ELECTRON MICROSCOPY' 
_exptl.method_details             ? 
# 
_refine.pdbx_refine_id                           'ELECTRON MICROSCOPY' 
_refine.entry_id                                 9MOQ 
_refine.pdbx_diffrn_id                           ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.ls_number_reflns_obs                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_d_res_low                             ? 
_refine.ls_d_res_high                            . 
_refine.ls_percent_reflns_obs                    ? 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_work                       ? 
_refine.ls_R_factor_R_free                       ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_percent_reflns_R_free                 ? 
_refine.ls_number_reflns_R_free                  ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.occupancy_min                            ? 
_refine.occupancy_max                            ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.B_iso_mean                               ? 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.solvent_model_details                    ? 
_refine.solvent_model_param_ksol                 ? 
_refine.solvent_model_param_bsol                 ? 
_refine.pdbx_solvent_vdw_probe_radii             ? 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             ? 
_refine.pdbx_ls_cross_valid_method               ? 
_refine.details                                  ? 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.overall_SU_ML                            ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.overall_SU_B                             ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
# 
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 MICROSCOPY' ? 0.007 ? 581 ? f_bond_d           ? ? 
'ELECTRON MICROSCOPY' ? 0.718 ? 841 ? f_angle_d          ? ? 
'ELECTRON MICROSCOPY' ? 5.052 ? 311 ? f_dihedral_angle_d ? ? 
'ELECTRON MICROSCOPY' ? 0.045 ? 85  ? f_chiral_restr     ? ? 
'ELECTRON MICROSCOPY' ? 0.005 ? 78  ? f_plane_restr      ? ? 
# 
_struct.entry_id                     9MOQ 
_struct.title                        'Cryo-EM of F-pilus' 
_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        9MOQ 
_struct_keywords.text            'Helical, lipid, PROTEIN FIBRIL' 
_struct_keywords.pdbx_keywords   'PROTEIN FIBRIL' 
# 
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 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    PIL1_ECOLI 
_struct_ref.pdbx_db_accession          P04737 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MNAVLSVQGASAPVKKKSFFSKFTRLNMLRLARAVIPAAVLMMFFPQLAMAAGSSGQDLMASGNTTVKATFGKDSSVVKW
VVLAEVLVGAVMYMMTKNVKFLAGFAIISVFIAVGMAVVGL
;
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9MOQ 
_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                 121 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P04737 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  121 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       -50 
_struct_ref_seq.pdbx_auth_seq_align_end       70 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 'representative helical assembly' ? 50-meric  50 
2 'helical asymmetric unit'         ? monomeric 1  
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 '(1-50)' A,B 
2 1        A,B 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'electron microscopy' 
_pdbx_struct_assembly_auth_evidence.details                'not applicable' 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1  'identity operation'         1_555 x,y,z 1.00000000  0.00000000  0.00000000 0.00000   0.00000000  1.00000000  0.00000000 
0.00000   0.00000000  0.00000000  1.00000000 0.00000   
2  'helical symmetry operation' ?     ?     -0.77129100 0.63648200  0.00000000 111.84700 -0.63648200 -0.77129100 0.00000000 
237.31000 0.00000000  0.00000000  1.00000000 -66.83000 
3  'helical symmetry operation' ?     ?     -0.38068300 0.92470600  0.00000000 44.94110  -0.92470600 -0.38068300 0.00000000 
227.21900 0.00000000  0.00000000  1.00000000 -53.46400 
4  'helical symmetry operation' ?     ?     0.09963240  0.99502400  0.00000000 -9.32936  -0.99502400 0.09963240  0.00000000 
186.81000 0.00000000  -0.00000000 1.00000000 -40.09800 
5  'helical symmetry operation' ?     ?     0.55647000  0.83086800  0.00000000 -38.17600 -0.83086800 0.55647000  0.00000000 
125.60500 0.00000000  -0.00000000 1.00000000 -26.73200 
6  'helical symmetry operation' ?     ?     0.88217600  0.47092000  0.00000000 -34.80110 -0.47092000 0.88217600  0.00000000 
58.02650  0.00000000  -0.00000000 1.00000000 -13.36600 
7  'helical symmetry operation' ?     ?     0.88217600  -0.47092000 0.00000000 58.02650  0.47092000  0.88217600  0.00000000 
-34.80110 -0.00000000 0.00000000  1.00000000 13.36600  
8  'helical symmetry operation' ?     ?     0.55647000  -0.83086800 0.00000000 125.60500 0.83086800  0.55647000  0.00000000 
-38.17600 -0.00000000 0.00000000  1.00000000 26.73200  
9  'helical symmetry operation' ?     ?     0.09963240  -0.99502400 0.00000000 186.81000 0.99502400  0.09963240  0.00000000 
-9.32936  -0.00000000 0.00000000  1.00000000 40.09800  
10 'helical symmetry operation' ?     ?     -0.38068300 -0.92470600 0.00000000 227.21900 0.92470600  -0.38068300 0.00000000 
44.94110  0.00000000  0.00000000  1.00000000 53.46400  
11 'helical symmetry operation' ?     ?     0.36698800  0.93022600  0.00000000 -29.29340 -0.93022600 0.36698800  0.00000000 
154.07300 0.00000000  -0.00000000 1.00000000 -66.83000 
12 'helical symmetry operation' ?     ?     0.76181000  0.64780100  0.00000000 -40.37120 -0.64780100 0.76181000  0.00000000 
87.32330  0.00000000  -0.00000000 1.00000000 -53.46400 
13 'helical symmetry operation' ?     ?     0.97711200  0.21272300  0.00000000 -18.71020 -0.21272300 0.97711200  0.00000000 
23.22180  0.00000000  -0.00000000 1.00000000 -40.09800 
14 'helical symmetry operation' ?     ?     0.96216100  -0.27248200 0.00000000 30.58520  0.27248200  0.96216100  0.00000000 
-23.12640 -0.00000000 0.00000000  1.00000000 -26.73200 
15 'helical symmetry operation' ?     ?     0.72047800  -0.69347700 0.00000000 95.89880  0.69347700  0.72047800  0.00000000 
-40.79950 -0.00000000 0.00000000  1.00000000 -13.36600 
16 'helical symmetry operation' ?     ?     0.30901700  -0.95105700 0.00000000 161.83900 0.95105700  0.30901700  0.00000000 
-25.63280 -0.00000000 0.00000000  1.00000000 0.00000   
17 'helical symmetry operation' ?     ?     -0.17526400 -0.98452200 0.00000000 212.86800 0.98452200  -0.17526400 0.00000000 
18.79950  0.00000000  0.00000000  1.00000000 13.36600  
18 'helical symmetry operation' ?     ?     -0.61824400 -0.78598600 0.00000000 236.96100 0.78598600  -0.61824400 0.00000000 
82.02730  0.00000000  0.00000000  1.00000000 26.73200  
19 'helical symmetry operation' ?     ?     -0.91553600 -0.40223500 0.00000000 228.44000 0.40223500  -0.91553600 0.00000000 
149.15100 0.00000000  0.00000000  1.00000000 40.09800  
20 'helical symmetry operation' ?     ?     -0.99708500 0.07630140  0.00000000 189.31200 -0.07630140 -0.99708500 0.00000000 
204.35300 0.00000000  0.00000000  1.00000000 53.46400  
21 'helical symmetry operation' ?     ?     0.99810300  -0.06157120 0.00000000 6.25545   0.06157120  0.99810300  0.00000000 
-5.88145  -0.00000000 0.00000000  1.00000000 -66.83000 
22 'helical symmetry operation' ?     ?     0.85150700  -0.52434300 0.00000000 66.31460  0.52434300  0.85150700  0.00000000 
-37.04380 -0.00000000 0.00000000  1.00000000 -53.46400 
23 'helical symmetry operation' ?     ?     0.50425600  -0.86355400 0.00000000 133.97200 0.86355400  0.50425600  0.00000000 
-36.25140 -0.00000000 0.00000000  1.00000000 -40.09800 
24 'helical symmetry operation' ?     ?     0.03817850  -0.99927100 0.00000000 193.28500 0.99927100  0.03817850  0.00000000 
-3.69102  -0.00000000 0.00000000  1.00000000 -26.73200 
25 'helical symmetry operation' ?     ?     -0.43689600 -0.89951200 0.00000000 230.27600 0.89951200  -0.43689600 0.00000000 
52.96460  0.00000000  0.00000000  1.00000000 -13.36600 
26 'helical symmetry operation' ?     ?     -0.80901700 -0.58778500 0.00000000 236.22900 0.58778500  -0.80901700 0.00000000 
120.36500 0.00000000  0.00000000  1.00000000 0.00000   
27 'helical symmetry operation' ?     ?     -0.99049500 -0.13754800 0.00000000 209.74000 0.13754800  -0.99049500 0.00000000 
182.62600 0.00000000  0.00000000  1.00000000 13.36600  
28 'helical symmetry operation' ?     ?     -0.93856500 0.34510200  0.00000000 157.05200 -0.34510200 -0.93856500 0.00000000 
225.07800 0.00000000  0.00000000  1.00000000 26.73200  
29 'helical symmetry operation' ?     ?     -0.66546500 0.74642900  0.00000000 90.58020  -0.74642900 -0.66546500 0.00000000 
237.71600 0.00000000  0.00000000  1.00000000 40.09800  
30 'helical symmetry operation' ?     ?     -0.23554900 0.97186200  0.00000000 25.98900  -0.97186200 -0.23554900 0.00000000 
217.56200 0.00000000  0.00000000  1.00000000 53.46400  
31 'helical symmetry operation' ?     ?     0.24987300  -0.96827900 0.00000000 169.36600 0.96827900  0.24987300  0.00000000 
-21.50100 -0.00000000 0.00000000  1.00000000 -66.83000 
32 'helical symmetry operation' ?     ?     -0.23554900 -0.97186200 0.00000000 217.56200 0.97186200  -0.23554900 0.00000000 
25.98900  0.00000000  0.00000000  1.00000000 -53.46400 
33 'helical symmetry operation' ?     ?     -0.66546500 -0.74642900 0.00000000 237.71600 0.74642900  -0.66546500 0.00000000 
90.58020  0.00000000  0.00000000  1.00000000 -40.09800 
34 'helical symmetry operation' ?     ?     -0.93856500 -0.34510200 0.00000000 225.07800 0.34510200  -0.93856500 0.00000000 
157.05200 0.00000000  0.00000000  1.00000000 -26.73200 
35 'helical symmetry operation' ?     ?     -0.99049500 0.13754800  0.00000000 182.62600 -0.13754800 -0.99049500 0.00000000 
209.74000 0.00000000  0.00000000  1.00000000 -13.36600 
36 'helical symmetry operation' ?     ?     -0.80901700 0.58778500  0.00000000 120.36500 -0.58778500 -0.80901700 0.00000000 
236.22900 0.00000000  0.00000000  1.00000000 0.00000   
37 'helical symmetry operation' ?     ?     -0.43689600 0.89951200  0.00000000 52.96460  -0.89951200 -0.43689600 0.00000000 
230.27600 0.00000000  0.00000000  1.00000000 13.36600  
38 'helical symmetry operation' ?     ?     0.03817850  0.99927100  0.00000000 -3.69102  -0.99927100 0.03817850  0.00000000 
193.28500 0.00000000  -0.00000000 1.00000000 26.73200  
39 'helical symmetry operation' ?     ?     0.50425600  0.86355400  0.00000000 -36.25140 -0.86355400 0.50425600  0.00000000 
133.97200 0.00000000  -0.00000000 1.00000000 40.09800  
40 'helical symmetry operation' ?     ?     0.85150700  0.52434300  0.00000000 -37.04380 -0.52434300 0.85150700  0.00000000 
66.31460  0.00000000  -0.00000000 1.00000000 53.46400  
41 'helical symmetry operation' ?     ?     -0.84367300 -0.53685800 0.00000000 234.62500 0.53685800  -0.84367300 0.00000000 
128.80000 0.00000000  0.00000000  1.00000000 -66.83000 
42 'helical symmetry operation' ?     ?     -0.99708500 -0.07630140 0.00000000 204.35300 0.07630140  -0.99708500 0.00000000 
189.31200 0.00000000  0.00000000  1.00000000 -53.46400 
43 'helical symmetry operation' ?     ?     -0.91553600 0.40223500  0.00000000 149.15100 -0.40223500 -0.91553600 0.00000000 
228.44000 0.00000000  0.00000000  1.00000000 -40.09800 
44 'helical symmetry operation' ?     ?     -0.61824400 0.78598600  0.00000000 82.02730  -0.78598600 -0.61824400 0.00000000 
236.96100 0.00000000  0.00000000  1.00000000 -26.73200 
45 'helical symmetry operation' ?     ?     -0.17526400 0.98452200  0.00000000 18.79950  -0.98452200 -0.17526400 0.00000000 
212.86800 0.00000000  0.00000000  1.00000000 -13.36600 
46 'helical symmetry operation' ?     ?     0.30901700  0.95105700  0.00000000 -25.63280 -0.95105700 0.30901700  0.00000000 
161.83900 0.00000000  -0.00000000 1.00000000 0.00000   
47 'helical symmetry operation' ?     ?     0.72047800  0.69347700  0.00000000 -40.79950 -0.69347700 0.72047800  0.00000000 
95.89880  0.00000000  -0.00000000 1.00000000 13.36600  
48 'helical symmetry operation' ?     ?     0.96216100  0.27248200  0.00000000 -23.12640 -0.27248200 0.96216100  0.00000000 
30.58520  0.00000000  -0.00000000 1.00000000 26.73200  
49 'helical symmetry operation' ?     ?     0.97711200  -0.21272300 0.00000000 23.22180  0.21272300  0.97711200  0.00000000 
-18.71020 -0.00000000 0.00000000  1.00000000 40.09800  
50 'helical symmetry operation' ?     ?     0.76181000  -0.64780100 0.00000000 87.32330  0.64780100  0.76181000  0.00000000 
-40.37120 -0.00000000 0.00000000  1.00000000 53.46400  
# 
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 MET A 60  ? SER A 62  ? MET A 9  SER A 11 5 ? 3  
HELX_P HELX_P2 AA2 GLY A 63  ? PHE A 71  ? GLY A 12 PHE A 20 1 ? 9  
HELX_P HELX_P3 AA3 SER A 75  ? LYS A 97  ? SER A 24 LYS A 46 1 ? 23 
HELX_P HELX_P4 AA4 ASN A 98  ? LEU A 102 ? ASN A 47 LEU A 51 5 ? 5  
HELX_P HELX_P5 AA5 ALA A 103 ? GLY A 120 ? ALA A 52 GLY A 69 1 ? 18 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_pdbx_entry_details.entry_id                   9MOQ 
_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   N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     23 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -101.80 
_pdbx_validate_torsion.psi             79.07 
# 
_pdbx_helical_symmetry.entry_id                  9MOQ 
_pdbx_helical_symmetry.number_of_operations      10 
_pdbx_helical_symmetry.rotation_per_n_subunits   28.094 
_pdbx_helical_symmetry.rise_per_n_subunits       13.366 
_pdbx_helical_symmetry.n_subunits_divisor        1 
_pdbx_helical_symmetry.dyad_axis                 no 
_pdbx_helical_symmetry.circular_symmetry         5 
# 
_em_3d_fitting.id                1 
_em_3d_fitting.entry_id          9MOQ 
_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_reconstruction.entry_id                    9MOQ 
_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                  3.5 
_em_3d_reconstruction.resolution_method           'FSC 0.143 CUT-OFF' 
_em_3d_reconstruction.magnification_calibration   ? 
_em_3d_reconstruction.nominal_pixel_size          ? 
_em_3d_reconstruction.actual_pixel_size           ? 
_em_3d_reconstruction.num_particles               89344 
_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               HELICAL 
# 
_em_buffer.id            1 
_em_buffer.specimen_id   1 
_em_buffer.name          ? 
_em_buffer.details       ? 
_em_buffer.pH            7.5 
# 
_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                 F-pilus 
_em_entity_assembly.details              ? 
_em_entity_assembly.synonym              ? 
_em_entity_assembly.oligomeric_details   ? 
_em_entity_assembly.entity_id_list       1 
# 
_em_imaging.entry_id                        9MOQ 
_em_imaging.id                              1 
_em_imaging.astigmatism                     ? 
_em_imaging.electron_beam_tilt_params       ? 
_em_imaging.residual_tilt                   ? 
_em_imaging.microscope_model                'TFS KRIOS' 
_em_imaging.specimen_holder_type            ? 
_em_imaging.specimen_holder_model           ? 
_em_imaging.details                         ? 
_em_imaging.date                            ? 
_em_imaging.accelerating_voltage            300 
_em_imaging.illumination_mode               'FLOOD BEAM' 
_em_imaging.mode                            OTHER 
_em_imaging.nominal_cs                      ? 
_em_imaging.nominal_defocus_min             800 
_em_imaging.nominal_defocus_max             2400 
_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   ? 
_em_imaging.recording_temperature_maximum   ? 
_em_imaging.alignment_procedure             ? 
_em_imaging.c2_aperture_diameter            ? 
_em_imaging.specimen_id                     1 
_em_imaging.cryogen                         ? 
# 
_em_vitrification.entry_id              9MOQ 
_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                9MOQ 
_em_experiment.id                      1 
_em_experiment.reconstruction_method   HELICAL 
_em_experiment.aggregation_state       FILAMENT 
_em_experiment.entity_assembly_id      1 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A MET -50 ? A MET 1  
2  1 Y 1 A ASN -49 ? A ASN 2  
3  1 Y 1 A ALA -48 ? A ALA 3  
4  1 Y 1 A VAL -47 ? A VAL 4  
5  1 Y 1 A LEU -46 ? A LEU 5  
6  1 Y 1 A SER -45 ? A SER 6  
7  1 Y 1 A VAL -44 ? A VAL 7  
8  1 Y 1 A GLN -43 ? A GLN 8  
9  1 Y 1 A GLY -42 ? A GLY 9  
10 1 Y 1 A ALA -41 ? A ALA 10 
11 1 Y 1 A SER -40 ? A SER 11 
12 1 Y 1 A ALA -39 ? A ALA 12 
13 1 Y 1 A PRO -38 ? A PRO 13 
14 1 Y 1 A VAL -37 ? A VAL 14 
15 1 Y 1 A LYS -36 ? A LYS 15 
16 1 Y 1 A LYS -35 ? A LYS 16 
17 1 Y 1 A LYS -34 ? A LYS 17 
18 1 Y 1 A SER -33 ? A SER 18 
19 1 Y 1 A PHE -32 ? A PHE 19 
20 1 Y 1 A PHE -31 ? A PHE 20 
21 1 Y 1 A SER -30 ? A SER 21 
22 1 Y 1 A LYS -29 ? A LYS 22 
23 1 Y 1 A PHE -28 ? A PHE 23 
24 1 Y 1 A THR -27 ? A THR 24 
25 1 Y 1 A ARG -26 ? A ARG 25 
26 1 Y 1 A LEU -25 ? A LEU 26 
27 1 Y 1 A ASN -24 ? A ASN 27 
28 1 Y 1 A MET -23 ? A MET 28 
29 1 Y 1 A LEU -22 ? A LEU 29 
30 1 Y 1 A ARG -21 ? A ARG 30 
31 1 Y 1 A LEU -20 ? A LEU 31 
32 1 Y 1 A ALA -19 ? A ALA 32 
33 1 Y 1 A ARG -18 ? A ARG 33 
34 1 Y 1 A ALA -17 ? A ALA 34 
35 1 Y 1 A VAL -16 ? A VAL 35 
36 1 Y 1 A ILE -15 ? A ILE 36 
37 1 Y 1 A PRO -14 ? A PRO 37 
38 1 Y 1 A ALA -13 ? A ALA 38 
39 1 Y 1 A ALA -12 ? A ALA 39 
40 1 Y 1 A VAL -11 ? A VAL 40 
41 1 Y 1 A LEU -10 ? A LEU 41 
42 1 Y 1 A MET -9  ? A MET 42 
43 1 Y 1 A MET -8  ? A MET 43 
44 1 Y 1 A PHE -7  ? A PHE 44 
45 1 Y 1 A PHE -6  ? A PHE 45 
46 1 Y 1 A PRO -5  ? A PRO 46 
47 1 Y 1 A GLN -4  ? A GLN 47 
48 1 Y 1 A LEU -3  ? A LEU 48 
49 1 Y 1 A ALA -2  ? A ALA 49 
50 1 Y 1 A MET -1  ? A MET 50 
51 1 Y 1 A ALA 0   ? A ALA 51 
52 1 Y 1 A ALA 1   ? A ALA 52 
53 1 Y 1 A GLY 2   ? A GLY 53 
54 1 Y 1 A SER 3   ? A SER 54 
55 1 Y 1 A SER 4   ? A SER 55 
56 1 Y 1 A GLY 5   ? A GLY 56 
# 
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  
GLN N    N N N 74  
GLN CA   C N S 75  
GLN C    C N N 76  
GLN O    O N N 77  
GLN CB   C N N 78  
GLN CG   C N N 79  
GLN CD   C N N 80  
GLN OE1  O N N 81  
GLN NE2  N N N 82  
GLN OXT  O N N 83  
GLN H    H N N 84  
GLN H2   H N N 85  
GLN HA   H N N 86  
GLN HB2  H N N 87  
GLN HB3  H N N 88  
GLN HG2  H N N 89  
GLN HG3  H N N 90  
GLN HE21 H N N 91  
GLN HE22 H N N 92  
GLN HXT  H N N 93  
GLU N    N N N 94  
GLU CA   C N S 95  
GLU C    C N N 96  
GLU O    O N N 97  
GLU CB   C N N 98  
GLU CG   C N N 99  
GLU CD   C N N 100 
GLU OE1  O N N 101 
GLU OE2  O N N 102 
GLU OXT  O N N 103 
GLU H    H N N 104 
GLU H2   H N N 105 
GLU HA   H N N 106 
GLU HB2  H N N 107 
GLU HB3  H N N 108 
GLU HG2  H N N 109 
GLU HG3  H N N 110 
GLU HE2  H N N 111 
GLU HXT  H N N 112 
GLY N    N N N 113 
GLY CA   C N N 114 
GLY C    C N N 115 
GLY O    O N N 116 
GLY OXT  O N N 117 
GLY H    H N N 118 
GLY H2   H N N 119 
GLY HA2  H N N 120 
GLY HA3  H N N 121 
GLY HXT  H N N 122 
ILE N    N N N 123 
ILE CA   C N S 124 
ILE C    C N N 125 
ILE O    O N N 126 
ILE CB   C N S 127 
ILE CG1  C N N 128 
ILE CG2  C N N 129 
ILE CD1  C N N 130 
ILE OXT  O N N 131 
ILE H    H N N 132 
ILE H2   H N N 133 
ILE HA   H N N 134 
ILE HB   H N N 135 
ILE HG12 H N N 136 
ILE HG13 H N N 137 
ILE HG21 H N N 138 
ILE HG22 H N N 139 
ILE HG23 H N N 140 
ILE HD11 H N N 141 
ILE HD12 H N N 142 
ILE HD13 H N N 143 
ILE HXT  H N N 144 
LEU N    N N N 145 
LEU CA   C N S 146 
LEU C    C N N 147 
LEU O    O N N 148 
LEU CB   C N N 149 
LEU CG   C N N 150 
LEU CD1  C N N 151 
LEU CD2  C N N 152 
LEU OXT  O N N 153 
LEU H    H N N 154 
LEU H2   H N N 155 
LEU HA   H N N 156 
LEU HB2  H N N 157 
LEU HB3  H N N 158 
LEU HG   H N N 159 
LEU HD11 H N N 160 
LEU HD12 H N N 161 
LEU HD13 H N N 162 
LEU HD21 H N N 163 
LEU HD22 H N N 164 
LEU HD23 H N N 165 
LEU HXT  H N N 166 
LYS N    N N N 167 
LYS CA   C N S 168 
LYS C    C N N 169 
LYS O    O N N 170 
LYS CB   C N N 171 
LYS CG   C N N 172 
LYS CD   C N N 173 
LYS CE   C N N 174 
LYS NZ   N N N 175 
LYS OXT  O N N 176 
LYS H    H N N 177 
LYS H2   H N N 178 
LYS HA   H N N 179 
LYS HB2  H N N 180 
LYS HB3  H N N 181 
LYS HG2  H N N 182 
LYS HG3  H N N 183 
LYS HD2  H N N 184 
LYS HD3  H N N 185 
LYS HE2  H N N 186 
LYS HE3  H N N 187 
LYS HZ1  H N N 188 
LYS HZ2  H N N 189 
LYS HZ3  H N N 190 
LYS HXT  H N N 191 
MET N    N N N 192 
MET CA   C N S 193 
MET C    C N N 194 
MET O    O N N 195 
MET CB   C N N 196 
MET CG   C N N 197 
MET SD   S N N 198 
MET CE   C N N 199 
MET OXT  O N N 200 
MET H    H N N 201 
MET H2   H N N 202 
MET HA   H N N 203 
MET HB2  H N N 204 
MET HB3  H N N 205 
MET HG2  H N N 206 
MET HG3  H N N 207 
MET HE1  H N N 208 
MET HE2  H N N 209 
MET HE3  H N N 210 
MET HXT  H N N 211 
PHE N    N N N 212 
PHE CA   C N S 213 
PHE C    C N N 214 
PHE O    O N N 215 
PHE CB   C N N 216 
PHE CG   C Y N 217 
PHE CD1  C Y N 218 
PHE CD2  C Y N 219 
PHE CE1  C Y N 220 
PHE CE2  C Y N 221 
PHE CZ   C Y N 222 
PHE OXT  O N N 223 
PHE H    H N N 224 
PHE H2   H N N 225 
PHE HA   H N N 226 
PHE HB2  H N N 227 
PHE HB3  H N N 228 
PHE HD1  H N N 229 
PHE HD2  H N N 230 
PHE HE1  H N N 231 
PHE HE2  H N N 232 
PHE HZ   H N N 233 
PHE HXT  H N N 234 
PRO N    N N N 235 
PRO CA   C N S 236 
PRO C    C N N 237 
PRO O    O N N 238 
PRO CB   C N N 239 
PRO CG   C N N 240 
PRO CD   C N N 241 
PRO OXT  O N N 242 
PRO H    H N N 243 
PRO HA   H N N 244 
PRO HB2  H N N 245 
PRO HB3  H N N 246 
PRO HG2  H N N 247 
PRO HG3  H N N 248 
PRO HD2  H N N 249 
PRO HD3  H N N 250 
PRO HXT  H N N 251 
SER N    N N N 252 
SER CA   C N S 253 
SER C    C N N 254 
SER O    O N N 255 
SER CB   C N N 256 
SER OG   O N N 257 
SER OXT  O N N 258 
SER H    H N N 259 
SER H2   H N N 260 
SER HA   H N N 261 
SER HB2  H N N 262 
SER HB3  H N N 263 
SER HG   H N N 264 
SER HXT  H N N 265 
THR N    N N N 266 
THR CA   C N S 267 
THR C    C N N 268 
THR O    O N N 269 
THR CB   C N R 270 
THR OG1  O N N 271 
THR CG2  C N N 272 
THR OXT  O N N 273 
THR H    H N N 274 
THR H2   H N N 275 
THR HA   H N N 276 
THR HB   H N N 277 
THR HG1  H N N 278 
THR HG21 H N N 279 
THR HG22 H N N 280 
THR HG23 H N N 281 
THR HXT  H N N 282 
TRP N    N N N 283 
TRP CA   C N S 284 
TRP C    C N N 285 
TRP O    O N N 286 
TRP CB   C N N 287 
TRP CG   C Y N 288 
TRP CD1  C Y N 289 
TRP CD2  C Y N 290 
TRP NE1  N Y N 291 
TRP CE2  C Y N 292 
TRP CE3  C Y N 293 
TRP CZ2  C Y N 294 
TRP CZ3  C Y N 295 
TRP CH2  C Y N 296 
TRP OXT  O N N 297 
TRP H    H N N 298 
TRP H2   H N N 299 
TRP HA   H N N 300 
TRP HB2  H N N 301 
TRP HB3  H N N 302 
TRP HD1  H N N 303 
TRP HE1  H N N 304 
TRP HE3  H N N 305 
TRP HZ2  H N N 306 
TRP HZ3  H N N 307 
TRP HH2  H N N 308 
TRP HXT  H N N 309 
TYR N    N N N 310 
TYR CA   C N S 311 
TYR C    C N N 312 
TYR O    O N N 313 
TYR CB   C N N 314 
TYR CG   C Y N 315 
TYR CD1  C Y N 316 
TYR CD2  C Y N 317 
TYR CE1  C Y N 318 
TYR CE2  C Y N 319 
TYR CZ   C Y N 320 
TYR OH   O N N 321 
TYR OXT  O N N 322 
TYR H    H N N 323 
TYR H2   H N N 324 
TYR HA   H N N 325 
TYR HB2  H N N 326 
TYR HB3  H N N 327 
TYR HD1  H N N 328 
TYR HD2  H N N 329 
TYR HE1  H N N 330 
TYR HE2  H N N 331 
TYR HH   H N N 332 
TYR HXT  H N N 333 
VAL N    N N N 334 
VAL CA   C N S 335 
VAL C    C N N 336 
VAL O    O N N 337 
VAL CB   C N N 338 
VAL CG1  C N N 339 
VAL CG2  C N N 340 
VAL OXT  O N N 341 
VAL H    H N N 342 
VAL H2   H N N 343 
VAL HA   H N N 344 
VAL HB   H N N 345 
VAL HG11 H N N 346 
VAL HG12 H N N 347 
VAL HG13 H N N 348 
VAL HG21 H N N 349 
VAL HG22 H N N 350 
VAL HG23 H N N 351 
VAL HXT  H N N 352 
X41 O1   O N N 353 
X41 O2   O N N 354 
X41 P1   P N N 355 
X41 O3   O N N 356 
X41 O4   O N N 357 
X41 C1   C N N 358 
X41 C2   C N R 359 
X41 C3   C N N 360 
X41 O5   O N N 361 
X41 C4   C N N 362 
X41 O6   O N N 363 
X41 C5   C N N 364 
X41 C6   C N N 365 
X41 C7   C N N 366 
X41 C8   C N N 367 
X41 C9   C N N 368 
X41 C10  C N N 369 
X41 C11  C N N 370 
X41 C12  C N N 371 
X41 C13  C N N 372 
X41 C14  C N N 373 
X41 C15  C N N 374 
X41 C16  C N N 375 
X41 C17  C N N 376 
X41 O7   O N N 377 
X41 C18  C N N 378 
X41 O8   O N N 379 
X41 C19  C N N 380 
X41 C20  C N N 381 
X41 C21  C N N 382 
X41 C22  C N N 383 
X41 C23  C N N 384 
X41 C24  C N N 385 
X41 C25  C N N 386 
X41 C26  C N N 387 
X41 C27  C N N 388 
X41 C28  C N N 389 
X41 C29  C N N 390 
X41 C30  C N N 391 
X41 C31  C N N 392 
X41 H1   H N N 393 
X41 H2   H N N 394 
X41 H3   H N N 395 
X41 H4   H N N 396 
X41 H5   H N N 397 
X41 H6   H N N 398 
X41 H7   H N N 399 
X41 H8   H N N 400 
X41 H9   H N N 401 
X41 H10  H N N 402 
X41 H11  H N N 403 
X41 H12  H N N 404 
X41 H13  H N N 405 
X41 H14  H N N 406 
X41 H15  H N N 407 
X41 H16  H N N 408 
X41 H17  H N N 409 
X41 H18  H N N 410 
X41 H19  H N N 411 
X41 H20  H N N 412 
X41 H21  H N N 413 
X41 H22  H N N 414 
X41 H23  H N N 415 
X41 H24  H N N 416 
X41 H25  H N N 417 
X41 H26  H N N 418 
X41 H27  H N N 419 
X41 H28  H N N 420 
X41 H29  H N N 421 
X41 H30  H N N 422 
X41 H31  H N N 423 
X41 H32  H N N 424 
X41 H33  H N N 425 
X41 H34  H N N 426 
X41 H35  H N N 427 
X41 H36  H N N 428 
X41 H37  H N N 429 
X41 H38  H N N 430 
X41 H39  H N N 431 
X41 H40  H N N 432 
X41 H41  H N N 433 
X41 H42  H N N 434 
X41 H43  H N N 435 
X41 H44  H N N 436 
X41 H45  H N N 437 
X41 H46  H N N 438 
X41 H47  H N N 439 
X41 H48  H N N 440 
X41 H49  H N N 441 
X41 H50  H N N 442 
X41 H51  H N N 443 
X41 H52  H N N 444 
X41 H53  H N N 445 
X41 H54  H N N 446 
X41 H55  H N N 447 
X41 H56  H N N 448 
X41 H57  H N N 449 
X41 H58  H N N 450 
# 
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  
GLN N   CA   sing N N 70  
GLN N   H    sing N N 71  
GLN N   H2   sing N N 72  
GLN CA  C    sing N N 73  
GLN CA  CB   sing N N 74  
GLN CA  HA   sing N N 75  
GLN C   O    doub N N 76  
GLN C   OXT  sing N N 77  
GLN CB  CG   sing N N 78  
GLN CB  HB2  sing N N 79  
GLN CB  HB3  sing N N 80  
GLN CG  CD   sing N N 81  
GLN CG  HG2  sing N N 82  
GLN CG  HG3  sing N N 83  
GLN CD  OE1  doub N N 84  
GLN CD  NE2  sing N N 85  
GLN NE2 HE21 sing N N 86  
GLN NE2 HE22 sing N N 87  
GLN OXT HXT  sing N N 88  
GLU N   CA   sing N N 89  
GLU N   H    sing N N 90  
GLU N   H2   sing N N 91  
GLU CA  C    sing N N 92  
GLU CA  CB   sing N N 93  
GLU CA  HA   sing N N 94  
GLU C   O    doub N N 95  
GLU C   OXT  sing N N 96  
GLU CB  CG   sing N N 97  
GLU CB  HB2  sing N N 98  
GLU CB  HB3  sing N N 99  
GLU CG  CD   sing N N 100 
GLU CG  HG2  sing N N 101 
GLU CG  HG3  sing N N 102 
GLU CD  OE1  doub N N 103 
GLU CD  OE2  sing N N 104 
GLU OE2 HE2  sing N N 105 
GLU OXT HXT  sing N N 106 
GLY N   CA   sing N N 107 
GLY N   H    sing N N 108 
GLY N   H2   sing N N 109 
GLY CA  C    sing N N 110 
GLY CA  HA2  sing N N 111 
GLY CA  HA3  sing N N 112 
GLY C   O    doub N N 113 
GLY C   OXT  sing N N 114 
GLY OXT HXT  sing N N 115 
ILE N   CA   sing N N 116 
ILE N   H    sing N N 117 
ILE N   H2   sing N N 118 
ILE CA  C    sing N N 119 
ILE CA  CB   sing N N 120 
ILE CA  HA   sing N N 121 
ILE C   O    doub N N 122 
ILE C   OXT  sing N N 123 
ILE CB  CG1  sing N N 124 
ILE CB  CG2  sing N N 125 
ILE CB  HB   sing N N 126 
ILE CG1 CD1  sing N N 127 
ILE CG1 HG12 sing N N 128 
ILE CG1 HG13 sing N N 129 
ILE CG2 HG21 sing N N 130 
ILE CG2 HG22 sing N N 131 
ILE CG2 HG23 sing N N 132 
ILE CD1 HD11 sing N N 133 
ILE CD1 HD12 sing N N 134 
ILE CD1 HD13 sing N N 135 
ILE OXT HXT  sing N N 136 
LEU N   CA   sing N N 137 
LEU N   H    sing N N 138 
LEU N   H2   sing N N 139 
LEU CA  C    sing N N 140 
LEU CA  CB   sing N N 141 
LEU CA  HA   sing N N 142 
LEU C   O    doub N N 143 
LEU C   OXT  sing N N 144 
LEU CB  CG   sing N N 145 
LEU CB  HB2  sing N N 146 
LEU CB  HB3  sing N N 147 
LEU CG  CD1  sing N N 148 
LEU CG  CD2  sing N N 149 
LEU CG  HG   sing N N 150 
LEU CD1 HD11 sing N N 151 
LEU CD1 HD12 sing N N 152 
LEU CD1 HD13 sing N N 153 
LEU CD2 HD21 sing N N 154 
LEU CD2 HD22 sing N N 155 
LEU CD2 HD23 sing N N 156 
LEU OXT HXT  sing N N 157 
LYS N   CA   sing N N 158 
LYS N   H    sing N N 159 
LYS N   H2   sing N N 160 
LYS CA  C    sing N N 161 
LYS CA  CB   sing N N 162 
LYS CA  HA   sing N N 163 
LYS C   O    doub N N 164 
LYS C   OXT  sing N N 165 
LYS CB  CG   sing N N 166 
LYS CB  HB2  sing N N 167 
LYS CB  HB3  sing N N 168 
LYS CG  CD   sing N N 169 
LYS CG  HG2  sing N N 170 
LYS CG  HG3  sing N N 171 
LYS CD  CE   sing N N 172 
LYS CD  HD2  sing N N 173 
LYS CD  HD3  sing N N 174 
LYS CE  NZ   sing N N 175 
LYS CE  HE2  sing N N 176 
LYS CE  HE3  sing N N 177 
LYS NZ  HZ1  sing N N 178 
LYS NZ  HZ2  sing N N 179 
LYS NZ  HZ3  sing N N 180 
LYS OXT HXT  sing N N 181 
MET N   CA   sing N N 182 
MET N   H    sing N N 183 
MET N   H2   sing N N 184 
MET CA  C    sing N N 185 
MET CA  CB   sing N N 186 
MET CA  HA   sing N N 187 
MET C   O    doub N N 188 
MET C   OXT  sing N N 189 
MET CB  CG   sing N N 190 
MET CB  HB2  sing N N 191 
MET CB  HB3  sing N N 192 
MET CG  SD   sing N N 193 
MET CG  HG2  sing N N 194 
MET CG  HG3  sing N N 195 
MET SD  CE   sing N N 196 
MET CE  HE1  sing N N 197 
MET CE  HE2  sing N N 198 
MET CE  HE3  sing N N 199 
MET OXT HXT  sing N N 200 
PHE N   CA   sing N N 201 
PHE N   H    sing N N 202 
PHE N   H2   sing N N 203 
PHE CA  C    sing N N 204 
PHE CA  CB   sing N N 205 
PHE CA  HA   sing N N 206 
PHE C   O    doub N N 207 
PHE C   OXT  sing N N 208 
PHE CB  CG   sing N N 209 
PHE CB  HB2  sing N N 210 
PHE CB  HB3  sing N N 211 
PHE CG  CD1  doub Y N 212 
PHE CG  CD2  sing Y N 213 
PHE CD1 CE1  sing Y N 214 
PHE CD1 HD1  sing N N 215 
PHE CD2 CE2  doub Y N 216 
PHE CD2 HD2  sing N N 217 
PHE CE1 CZ   doub Y N 218 
PHE CE1 HE1  sing N N 219 
PHE CE2 CZ   sing Y N 220 
PHE CE2 HE2  sing N N 221 
PHE CZ  HZ   sing N N 222 
PHE OXT HXT  sing N N 223 
PRO N   CA   sing N N 224 
PRO N   CD   sing N N 225 
PRO N   H    sing N N 226 
PRO CA  C    sing N N 227 
PRO CA  CB   sing N N 228 
PRO CA  HA   sing N N 229 
PRO C   O    doub N N 230 
PRO C   OXT  sing N N 231 
PRO CB  CG   sing N N 232 
PRO CB  HB2  sing N N 233 
PRO CB  HB3  sing N N 234 
PRO CG  CD   sing N N 235 
PRO CG  HG2  sing N N 236 
PRO CG  HG3  sing N N 237 
PRO CD  HD2  sing N N 238 
PRO CD  HD3  sing N N 239 
PRO OXT HXT  sing N N 240 
SER N   CA   sing N N 241 
SER N   H    sing N N 242 
SER N   H2   sing N N 243 
SER CA  C    sing N N 244 
SER CA  CB   sing N N 245 
SER CA  HA   sing N N 246 
SER C   O    doub N N 247 
SER C   OXT  sing N N 248 
SER CB  OG   sing N N 249 
SER CB  HB2  sing N N 250 
SER CB  HB3  sing N N 251 
SER OG  HG   sing N N 252 
SER OXT HXT  sing N N 253 
THR N   CA   sing N N 254 
THR N   H    sing N N 255 
THR N   H2   sing N N 256 
THR CA  C    sing N N 257 
THR CA  CB   sing N N 258 
THR CA  HA   sing N N 259 
THR C   O    doub N N 260 
THR C   OXT  sing N N 261 
THR CB  OG1  sing N N 262 
THR CB  CG2  sing N N 263 
THR CB  HB   sing N N 264 
THR OG1 HG1  sing N N 265 
THR CG2 HG21 sing N N 266 
THR CG2 HG22 sing N N 267 
THR CG2 HG23 sing N N 268 
THR OXT HXT  sing N N 269 
TRP N   CA   sing N N 270 
TRP N   H    sing N N 271 
TRP N   H2   sing N N 272 
TRP CA  C    sing N N 273 
TRP CA  CB   sing N N 274 
TRP CA  HA   sing N N 275 
TRP C   O    doub N N 276 
TRP C   OXT  sing N N 277 
TRP CB  CG   sing N N 278 
TRP CB  HB2  sing N N 279 
TRP CB  HB3  sing N N 280 
TRP CG  CD1  doub Y N 281 
TRP CG  CD2  sing Y N 282 
TRP CD1 NE1  sing Y N 283 
TRP CD1 HD1  sing N N 284 
TRP CD2 CE2  doub Y N 285 
TRP CD2 CE3  sing Y N 286 
TRP NE1 CE2  sing Y N 287 
TRP NE1 HE1  sing N N 288 
TRP CE2 CZ2  sing Y N 289 
TRP CE3 CZ3  doub Y N 290 
TRP CE3 HE3  sing N N 291 
TRP CZ2 CH2  doub Y N 292 
TRP CZ2 HZ2  sing N N 293 
TRP CZ3 CH2  sing Y N 294 
TRP CZ3 HZ3  sing N N 295 
TRP CH2 HH2  sing N N 296 
TRP OXT HXT  sing N N 297 
TYR N   CA   sing N N 298 
TYR N   H    sing N N 299 
TYR N   H2   sing N N 300 
TYR CA  C    sing N N 301 
TYR CA  CB   sing N N 302 
TYR CA  HA   sing N N 303 
TYR C   O    doub N N 304 
TYR C   OXT  sing N N 305 
TYR CB  CG   sing N N 306 
TYR CB  HB2  sing N N 307 
TYR CB  HB3  sing N N 308 
TYR CG  CD1  doub Y N 309 
TYR CG  CD2  sing Y N 310 
TYR CD1 CE1  sing Y N 311 
TYR CD1 HD1  sing N N 312 
TYR CD2 CE2  doub Y N 313 
TYR CD2 HD2  sing N N 314 
TYR CE1 CZ   doub Y N 315 
TYR CE1 HE1  sing N N 316 
TYR CE2 CZ   sing Y N 317 
TYR CE2 HE2  sing N N 318 
TYR CZ  OH   sing N N 319 
TYR OH  HH   sing N N 320 
TYR OXT HXT  sing N N 321 
VAL N   CA   sing N N 322 
VAL N   H    sing N N 323 
VAL N   H2   sing N N 324 
VAL CA  C    sing N N 325 
VAL CA  CB   sing N N 326 
VAL CA  HA   sing N N 327 
VAL C   O    doub N N 328 
VAL C   OXT  sing N N 329 
VAL CB  CG1  sing N N 330 
VAL CB  CG2  sing N N 331 
VAL CB  HB   sing N N 332 
VAL CG1 HG11 sing N N 333 
VAL CG1 HG12 sing N N 334 
VAL CG1 HG13 sing N N 335 
VAL CG2 HG21 sing N N 336 
VAL CG2 HG22 sing N N 337 
VAL CG2 HG23 sing N N 338 
VAL OXT HXT  sing N N 339 
X41 O1  P1   sing N N 340 
X41 O2  P1   doub N N 341 
X41 P1  O3   sing N N 342 
X41 P1  O4   sing N N 343 
X41 O3  H1   sing N N 344 
X41 O4  C1   sing N N 345 
X41 C1  C2   sing N N 346 
X41 C1  H2   sing N N 347 
X41 C1  H3   sing N N 348 
X41 C2  C3   sing N N 349 
X41 C2  O7   sing N N 350 
X41 C2  H4   sing N N 351 
X41 C3  O5   sing N N 352 
X41 C3  H5   sing N N 353 
X41 C3  H6   sing N N 354 
X41 O5  C4   sing N N 355 
X41 C4  O6   doub N N 356 
X41 C4  C5   sing N N 357 
X41 C5  C6   sing N N 358 
X41 C5  H7   sing N N 359 
X41 C5  H8   sing N N 360 
X41 C6  C7   sing N N 361 
X41 C6  H9   sing N N 362 
X41 C6  H10  sing N N 363 
X41 C7  C8   sing N N 364 
X41 C7  H11  sing N N 365 
X41 C7  H12  sing N N 366 
X41 C8  C9   sing N N 367 
X41 C8  H13  sing N N 368 
X41 C8  H14  sing N N 369 
X41 C9  C10  sing N N 370 
X41 C9  H15  sing N N 371 
X41 C9  H16  sing N N 372 
X41 C10 C11  sing N N 373 
X41 C10 H17  sing N N 374 
X41 C10 H18  sing N N 375 
X41 C11 C12  sing N N 376 
X41 C11 H19  sing N N 377 
X41 C11 H20  sing N N 378 
X41 C12 C13  doub N Z 379 
X41 C12 H21  sing N N 380 
X41 C13 C14  sing N N 381 
X41 C13 H22  sing N N 382 
X41 C14 C15  sing N N 383 
X41 C14 H23  sing N N 384 
X41 C14 H24  sing N N 385 
X41 C15 C16  sing N N 386 
X41 C15 H25  sing N N 387 
X41 C15 H26  sing N N 388 
X41 C16 C17  sing N N 389 
X41 C16 H27  sing N N 390 
X41 C16 H28  sing N N 391 
X41 C17 H29  sing N N 392 
X41 C17 H30  sing N N 393 
X41 C17 H31  sing N N 394 
X41 O7  C18  sing N N 395 
X41 C18 O8   doub N N 396 
X41 C18 C19  sing N N 397 
X41 C19 C20  sing N N 398 
X41 C19 H32  sing N N 399 
X41 C19 H33  sing N N 400 
X41 C20 C21  sing N N 401 
X41 C20 H34  sing N N 402 
X41 C20 H35  sing N N 403 
X41 C21 C22  sing N N 404 
X41 C21 H36  sing N N 405 
X41 C21 H37  sing N N 406 
X41 C22 C23  sing N N 407 
X41 C22 H38  sing N N 408 
X41 C22 H39  sing N N 409 
X41 C23 C24  sing N N 410 
X41 C23 H40  sing N N 411 
X41 C23 H41  sing N N 412 
X41 C24 C25  sing N N 413 
X41 C24 H42  sing N N 414 
X41 C24 H43  sing N N 415 
X41 C25 C26  sing N N 416 
X41 C25 H44  sing N N 417 
X41 C25 H45  sing N N 418 
X41 C26 C27  sing N N 419 
X41 C26 H46  sing N N 420 
X41 C26 H47  sing N N 421 
X41 C27 C28  sing N N 422 
X41 C27 H48  sing N N 423 
X41 C27 H49  sing N N 424 
X41 C28 C29  sing N N 425 
X41 C28 H50  sing N N 426 
X41 C28 H51  sing N N 427 
X41 C29 C30  sing N N 428 
X41 C29 H52  sing N N 429 
X41 C29 H53  sing N N 430 
X41 C30 C31  sing N N 431 
X41 C30 H54  sing N N 432 
X41 C30 H55  sing N N 433 
X41 C31 H56  sing N N 434 
X41 C31 H57  sing N N 435 
X41 C31 H58  sing N N 436 
# 
_em_admin.current_status     REL 
_em_admin.deposition_date    2024-12-26 
_em_admin.deposition_site    RCSB 
_em_admin.entry_id           9MOQ 
_em_admin.last_update        2025-01-15 
_em_admin.map_release_date   2025-01-15 
_em_admin.title              'Cryo-EM of F-pilus' 
# 
_em_ctf_correction.details                  ? 
_em_ctf_correction.em_image_processing_id   1 
_em_ctf_correction.id                       1 
_em_ctf_correction.type                     'PHASE FLIPPING AND AMPLITUDE CORRECTION' 
# 
_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          562 
_em_entity_assembly_naturalsource.organism             'Escherichia coli' 
_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_helical_entity.id                             1 
_em_helical_entity.image_processing_id            1 
_em_helical_entity.details                        ? 
_em_helical_entity.axial_symmetry                 C5 
_em_helical_entity.angular_rotation_per_subunit   28.094 
_em_helical_entity.axial_rise_per_subunit         13.366 
# 
_em_image_processing.details              ? 
_em_image_processing.id                   1 
_em_image_processing.image_recording_id   1 
# 
_em_image_recording.average_exposure_time               ? 
_em_image_recording.avg_electron_dose_per_subtomogram   ? 
_em_image_recording.avg_electron_dose_per_image         40 
_em_image_recording.details                             ? 
_em_image_recording.detector_mode                       ? 
_em_image_recording.film_or_detector_model              'FEI FALCON IV (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 
'PARTICLE SELECTION'       ? 1  1 ? ? ?      ?            
'MODEL REFINEMENT'         ? 2  ? ? ? PHENIX 1.15.2_3472: 
'IMAGE ACQUISITION'        ? 3  ? ? 1 ?      ?            
MASKING                    ? 4  ? ? ? ?      ?            
'CTF CORRECTION'           ? 5  1 ? ? ?      ?            
'LAYERLINE INDEXING'       ? 6  ? ? ? ?      ?            
'DIFFRACTION INDEXING'     ? 7  ? ? ? ?      ?            
'MODEL FITTING'            ? 8  ? ? ? ?      ?            
OTHER                      ? 9  ? ? ? ?      ?            
'INITIAL EULER ASSIGNMENT' ? 10 1 ? ? ?      ?            
'FINAL EULER ASSIGNMENT'   ? 11 1 ? ? ?      ?            
CLASSIFICATION             ? 12 1 ? ? ?      ?            
RECONSTRUCTION             ? 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 
# 
_pdbx_audit_support.funding_organization   
'National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           GM122510 
_pdbx_audit_support.ordinal                1 
# 
_atom_sites.entry_id                    9MOQ 
_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]   1.000000 
_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]   1.000000 
_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]   1.000000 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C 
H 
N 
O 
P 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1   N N    . GLN A 1 57  ? 137.221 79.101  78.718  1.00 61.94 ? 6   GLN A N    1 
ATOM   2   C CA   . GLN A 1 57  ? 136.344 79.942  77.920  1.00 61.94 ? 6   GLN A CA   1 
ATOM   3   C C    . GLN A 1 57  ? 135.299 80.655  78.767  1.00 61.94 ? 6   GLN A C    1 
ATOM   4   O O    . GLN A 1 57  ? 134.107 80.555  78.512  1.00 61.94 ? 6   GLN A O    1 
ATOM   5   C CB   . GLN A 1 57  ? 135.661 79.113  76.838  1.00 61.94 ? 6   GLN A CB   1 
ATOM   6   C CG   . GLN A 1 57  ? 136.572 78.702  75.707  1.00 61.94 ? 6   GLN A CG   1 
ATOM   7   C CD   . GLN A 1 57  ? 135.851 77.903  74.648  1.00 61.94 ? 6   GLN A CD   1 
ATOM   8   O OE1  . GLN A 1 57  ? 134.701 77.519  74.826  1.00 61.94 ? 6   GLN A OE1  1 
ATOM   9   N NE2  . GLN A 1 57  ? 136.511 77.678  73.523  1.00 61.94 ? 6   GLN A NE2  1 
ATOM   10  N N    . ASP A 1 58  ? 135.759 81.379  79.776  1.00 55.29 ? 7   ASP A N    1 
ATOM   11  C CA   . ASP A 1 58  ? 134.884 82.144  80.649  1.00 55.29 ? 7   ASP A CA   1 
ATOM   12  C C    . ASP A 1 58  ? 134.839 83.582  80.146  1.00 55.29 ? 7   ASP A C    1 
ATOM   13  O O    . ASP A 1 58  ? 135.875 84.244  80.064  1.00 55.29 ? 7   ASP A O    1 
ATOM   14  C CB   . ASP A 1 58  ? 135.404 82.074  82.084  1.00 55.29 ? 7   ASP A CB   1 
ATOM   15  C CG   . ASP A 1 58  ? 134.408 82.562  83.098  1.00 55.29 ? 7   ASP A CG   1 
ATOM   16  O OD1  . ASP A 1 58  ? 133.447 81.827  83.383  1.00 55.29 ? 7   ASP A OD1  1 
ATOM   17  O OD2  . ASP A 1 58  ? 134.590 83.673  83.626  1.00 55.29 ? 7   ASP A OD2  1 
ATOM   18  N N    . LEU A 1 59  ? 133.647 84.060  79.809  1.00 51.66 ? 8   LEU A N    1 
ATOM   19  C CA   . LEU A 1 59  ? 133.501 85.330  79.107  1.00 51.66 ? 8   LEU A CA   1 
ATOM   20  C C    . LEU A 1 59  ? 133.342 86.530  80.029  1.00 51.66 ? 8   LEU A C    1 
ATOM   21  O O    . LEU A 1 59  ? 133.336 87.662  79.541  1.00 51.66 ? 8   LEU A O    1 
ATOM   22  C CB   . LEU A 1 59  ? 132.311 85.274  78.147  1.00 51.66 ? 8   LEU A CB   1 
ATOM   23  C CG   . LEU A 1 59  ? 132.433 84.337  76.950  1.00 51.66 ? 8   LEU A CG   1 
ATOM   24  C CD1  . LEU A 1 59  ? 131.209 84.442  76.084  1.00 51.66 ? 8   LEU A CD1  1 
ATOM   25  C CD2  . LEU A 1 59  ? 133.661 84.669  76.153  1.00 51.66 ? 8   LEU A CD2  1 
ATOM   26  N N    . MET A 1 60  ? 133.221 86.328  81.337  1.00 49.03 ? 9   MET A N    1 
ATOM   27  C CA   . MET A 1 60  ? 133.110 87.439  82.273  1.00 49.03 ? 9   MET A CA   1 
ATOM   28  C C    . MET A 1 60  ? 134.240 87.438  83.290  1.00 49.03 ? 9   MET A C    1 
ATOM   29  O O    . MET A 1 60  ? 134.093 88.001  84.376  1.00 49.03 ? 9   MET A O    1 
ATOM   30  C CB   . MET A 1 60  ? 131.756 87.413  82.979  1.00 49.03 ? 9   MET A CB   1 
ATOM   31  C CG   . MET A 1 60  ? 130.593 87.662  82.051  1.00 49.03 ? 9   MET A CG   1 
ATOM   32  S SD   . MET A 1 60  ? 129.078 88.090  82.905  1.00 49.03 ? 9   MET A SD   1 
ATOM   33  C CE   . MET A 1 60  ? 127.988 88.295  81.514  1.00 49.03 ? 9   MET A CE   1 
ATOM   34  N N    . ALA A 1 61  ? 135.376 86.832  82.945  1.00 47.10 ? 10  ALA A N    1 
ATOM   35  C CA   . ALA A 1 61  ? 136.487 86.699  83.876  1.00 47.10 ? 10  ALA A CA   1 
ATOM   36  C C    . ALA A 1 61  ? 137.245 88.000  84.087  1.00 47.10 ? 10  ALA A C    1 
ATOM   37  O O    . ALA A 1 61  ? 137.991 88.113  85.061  1.00 47.10 ? 10  ALA A O    1 
ATOM   38  C CB   . ALA A 1 61  ? 137.450 85.625  83.378  1.00 47.10 ? 10  ALA A CB   1 
ATOM   39  N N    . SER A 1 62  ? 137.066 88.981  83.208  1.00 45.27 ? 11  SER A N    1 
ATOM   40  C CA   . SER A 1 62  ? 137.869 90.194  83.236  1.00 45.27 ? 11  SER A CA   1 
ATOM   41  C C    . SER A 1 62  ? 137.492 91.150  84.359  1.00 45.27 ? 11  SER A C    1 
ATOM   42  O O    . SER A 1 62  ? 138.283 92.042  84.671  1.00 45.27 ? 11  SER A O    1 
ATOM   43  C CB   . SER A 1 62  ? 137.746 90.917  81.898  1.00 45.27 ? 11  SER A CB   1 
ATOM   44  O OG   . SER A 1 62  ? 137.806 90.000  80.822  1.00 45.27 ? 11  SER A OG   1 
ATOM   45  N N    . GLY A 1 63  ? 136.325 90.999  84.969  1.00 43.38 ? 12  GLY A N    1 
ATOM   46  C CA   . GLY A 1 63  ? 135.841 91.981  85.911  1.00 43.38 ? 12  GLY A CA   1 
ATOM   47  C C    . GLY A 1 63  ? 136.087 91.703  87.373  1.00 43.38 ? 12  GLY A C    1 
ATOM   48  O O    . GLY A 1 63  ? 136.006 92.634  88.180  1.00 43.38 ? 12  GLY A O    1 
ATOM   49  N N    . ASN A 1 64  ? 136.419 90.462  87.739  1.00 42.99 ? 13  ASN A N    1 
ATOM   50  C CA   . ASN A 1 64  ? 136.527 90.106  89.151  1.00 42.99 ? 13  ASN A CA   1 
ATOM   51  C C    . ASN A 1 64  ? 137.349 91.129  89.920  1.00 42.99 ? 13  ASN A C    1 
ATOM   52  O O    . ASN A 1 64  ? 136.898 91.650  90.947  1.00 42.99 ? 13  ASN A O    1 
ATOM   53  C CB   . ASN A 1 64  ? 137.139 88.715  89.300  1.00 42.99 ? 13  ASN A CB   1 
ATOM   54  C CG   . ASN A 1 64  ? 136.282 87.630  88.693  1.00 42.99 ? 13  ASN A CG   1 
ATOM   55  O OD1  . ASN A 1 64  ? 135.421 87.066  89.355  1.00 42.99 ? 13  ASN A OD1  1 
ATOM   56  N ND2  . ASN A 1 64  ? 136.524 87.321  87.433  1.00 42.99 ? 13  ASN A ND2  1 
ATOM   57  N N    . THR A 1 65  ? 138.534 91.466  89.410  1.00 41.76 ? 14  THR A N    1 
ATOM   58  C CA   . THR A 1 65  ? 139.393 92.424  90.094  1.00 41.76 ? 14  THR A CA   1 
ATOM   59  C C    . THR A 1 65  ? 138.597 93.639  90.547  1.00 41.76 ? 14  THR A C    1 
ATOM   60  O O    . THR A 1 65  ? 138.479 93.908  91.749  1.00 41.76 ? 14  THR A O    1 
ATOM   61  C CB   . THR A 1 65  ? 140.532 92.859  89.176  1.00 41.76 ? 14  THR A CB   1 
ATOM   62  O OG1  . THR A 1 65  ? 141.002 91.740  88.419  1.00 41.76 ? 14  THR A OG1  1 
ATOM   63  C CG2  . THR A 1 65  ? 141.670 93.413  90.000  1.00 41.76 ? 14  THR A CG2  1 
ATOM   64  N N    . THR A 1 66  ? 137.985 94.346  89.596  1.00 42.62 ? 15  THR A N    1 
ATOM   65  C CA   . THR A 1 66  ? 137.253 95.554  89.949  1.00 42.62 ? 15  THR A CA   1 
ATOM   66  C C    . THR A 1 66  ? 136.212 95.257  91.015  1.00 42.62 ? 15  THR A C    1 
ATOM   67  O O    . THR A 1 66  ? 136.191 95.899  92.071  1.00 42.62 ? 15  THR A O    1 
ATOM   68  C CB   . THR A 1 66  ? 136.587 96.149  88.712  1.00 42.62 ? 15  THR A CB   1 
ATOM   69  O OG1  . THR A 1 66  ? 137.496 96.114  87.609  1.00 42.62 ? 15  THR A OG1  1 
ATOM   70  C CG2  . THR A 1 66  ? 136.205 97.584  88.971  1.00 42.62 ? 15  THR A CG2  1 
ATOM   71  N N    . VAL A 1 67  ? 135.389 94.236  90.783  1.00 41.08 ? 16  VAL A N    1 
ATOM   72  C CA   . VAL A 1 67  ? 134.337 93.921  91.735  1.00 41.08 ? 16  VAL A CA   1 
ATOM   73  C C    . VAL A 1 67  ? 134.940 93.695  93.109  1.00 41.08 ? 16  VAL A C    1 
ATOM   74  O O    . VAL A 1 67  ? 134.500 94.285  94.102  1.00 41.08 ? 16  VAL A O    1 
ATOM   75  C CB   . VAL A 1 67  ? 133.536 92.700  91.248  1.00 41.08 ? 16  VAL A CB   1 
ATOM   76  C CG1  . VAL A 1 67  ? 132.398 92.396  92.186  1.00 41.08 ? 16  VAL A CG1  1 
ATOM   77  C CG2  . VAL A 1 67  ? 133.013 92.944  89.855  1.00 41.08 ? 16  VAL A CG2  1 
ATOM   78  N N    . LYS A 1 68  ? 136.015 92.912  93.169  1.00 42.87 ? 17  LYS A N    1 
ATOM   79  C CA   . LYS A 1 68  ? 136.565 92.518  94.453  1.00 42.87 ? 17  LYS A CA   1 
ATOM   80  C C    . LYS A 1 68  ? 137.036 93.712  95.260  1.00 42.87 ? 17  LYS A C    1 
ATOM   81  O O    . LYS A 1 68  ? 137.066 93.637  96.490  1.00 42.87 ? 17  LYS A O    1 
ATOM   82  C CB   . LYS A 1 68  ? 137.708 91.529  94.243  1.00 42.87 ? 17  LYS A CB   1 
ATOM   83  C CG   . LYS A 1 68  ? 138.267 90.947  95.516  1.00 42.87 ? 17  LYS A CG   1 
ATOM   84  C CD   . LYS A 1 68  ? 139.269 89.850  95.228  1.00 42.87 ? 17  LYS A CD   1 
ATOM   85  C CE   . LYS A 1 68  ? 139.764 89.219  96.508  1.00 42.87 ? 17  LYS A CE   1 
ATOM   86  N NZ   . LYS A 1 68  ? 140.612 88.038  96.246  1.00 42.87 ? 17  LYS A NZ   1 
ATOM   87  N N    . ALA A 1 69  ? 137.380 94.817  94.604  1.00 42.41 ? 18  ALA A N    1 
ATOM   88  C CA   . ALA A 1 69  ? 137.860 95.982  95.327  1.00 42.41 ? 18  ALA A CA   1 
ATOM   89  C C    . ALA A 1 69  ? 136.783 97.028  95.556  1.00 42.41 ? 18  ALA A C    1 
ATOM   90  O O    . ALA A 1 69  ? 136.981 97.917  96.388  1.00 42.41 ? 18  ALA A O    1 
ATOM   91  C CB   . ALA A 1 69  ? 139.037 96.622  94.588  1.00 42.41 ? 18  ALA A CB   1 
ATOM   92  N N    . THR A 1 70  ? 135.658 96.949  94.849  1.00 41.96 ? 19  THR A N    1 
ATOM   93  C CA   . THR A 1 70  ? 134.597 97.919  95.084  1.00 41.96 ? 19  THR A CA   1 
ATOM   94  C C    . THR A 1 70  ? 133.515 97.362  95.994  1.00 41.96 ? 19  THR A C    1 
ATOM   95  O O    . THR A 1 70  ? 132.985 98.084  96.842  1.00 41.96 ? 19  THR A O    1 
ATOM   96  C CB   . THR A 1 70  ? 133.967 98.366  93.766  1.00 41.96 ? 19  THR A CB   1 
ATOM   97  O OG1  . THR A 1 70  ? 134.989 98.547  92.785  1.00 41.96 ? 19  THR A OG1  1 
ATOM   98  C CG2  . THR A 1 70  ? 133.246 99.674  93.962  1.00 41.96 ? 19  THR A CG2  1 
ATOM   99  N N    . PHE A 1 71  ? 133.185 96.088  95.836  1.00 43.19 ? 20  PHE A N    1 
ATOM   100 C CA   . PHE A 1 71  ? 132.221 95.392  96.682  1.00 43.19 ? 20  PHE A CA   1 
ATOM   101 C C    . PHE A 1 71  ? 132.966 94.198  97.268  1.00 43.19 ? 20  PHE A C    1 
ATOM   102 O O    . PHE A 1 71  ? 132.900 93.094  96.730  1.00 43.19 ? 20  PHE A O    1 
ATOM   103 C CB   . PHE A 1 71  ? 130.985 94.948  95.893  1.00 43.19 ? 20  PHE A CB   1 
ATOM   104 C CG   . PHE A 1 71  ? 130.317 96.039  95.104  1.00 43.19 ? 20  PHE A CG   1 
ATOM   105 C CD1  . PHE A 1 71  ? 129.525 96.982  95.727  1.00 43.19 ? 20  PHE A CD1  1 
ATOM   106 C CD2  . PHE A 1 71  ? 130.435 96.083  93.730  1.00 43.19 ? 20  PHE A CD2  1 
ATOM   107 C CE1  . PHE A 1 71  ? 128.894 97.967  95.003  1.00 43.19 ? 20  PHE A CE1  1 
ATOM   108 C CE2  . PHE A 1 71  ? 129.806 97.067  93.001  1.00 43.19 ? 20  PHE A CE2  1 
ATOM   109 C CZ   . PHE A 1 71  ? 129.034 98.008  93.639  1.00 43.19 ? 20  PHE A CZ   1 
ATOM   110 N N    . GLY A 1 72  ? 133.674 94.413  98.369  1.00 43.97 ? 21  GLY A N    1 
ATOM   111 C CA   . GLY A 1 72  ? 134.500 93.350  98.903  1.00 43.97 ? 21  GLY A CA   1 
ATOM   112 C C    . GLY A 1 72  ? 134.689 93.417  100.399 1.00 43.97 ? 21  GLY A C    1 
ATOM   113 O O    . GLY A 1 72  ? 133.984 94.157  101.086 1.00 43.97 ? 21  GLY A O    1 
ATOM   114 N N    . LYS A 1 73  ? 135.635 92.641  100.922 1.00 44.25 ? 22  LYS A N    1 
ATOM   115 C CA   . LYS A 1 73  ? 135.897 92.670  102.355 1.00 44.25 ? 22  LYS A CA   1 
ATOM   116 C C    . LYS A 1 73  ? 136.577 93.969  102.769 1.00 44.25 ? 22  LYS A C    1 
ATOM   117 O O    . LYS A 1 73  ? 136.217 94.573  103.784 1.00 44.25 ? 22  LYS A O    1 
ATOM   118 C CB   . LYS A 1 73  ? 136.741 91.464  102.751 1.00 44.25 ? 22  LYS A CB   1 
ATOM   119 C CG   . LYS A 1 73  ? 137.115 91.446  104.204 1.00 44.25 ? 22  LYS A CG   1 
ATOM   120 C CD   . LYS A 1 73  ? 135.902 91.305  105.076 1.00 44.25 ? 22  LYS A CD   1 
ATOM   121 C CE   . LYS A 1 73  ? 136.303 91.313  106.531 1.00 44.25 ? 22  LYS A CE   1 
ATOM   122 N NZ   . LYS A 1 73  ? 137.144 90.128  106.850 1.00 44.25 ? 22  LYS A NZ   1 
ATOM   123 N N    . ASP A 1 74  ? 137.569 94.412  102.000 1.00 44.39 ? 23  ASP A N    1 
ATOM   124 C CA   . ASP A 1 74  ? 138.269 95.669  102.260 1.00 44.39 ? 23  ASP A CA   1 
ATOM   125 C C    . ASP A 1 74  ? 137.742 96.733  101.303 1.00 44.39 ? 23  ASP A C    1 
ATOM   126 O O    . ASP A 1 74  ? 138.361 97.055  100.292 1.00 44.39 ? 23  ASP A O    1 
ATOM   127 C CB   . ASP A 1 74  ? 139.773 95.485  102.098 1.00 44.39 ? 23  ASP A CB   1 
ATOM   128 C CG   . ASP A 1 74  ? 140.304 94.309  102.871 1.00 44.39 ? 23  ASP A CG   1 
ATOM   129 O OD1  . ASP A 1 74  ? 139.812 94.056  103.984 1.00 44.39 ? 23  ASP A OD1  1 
ATOM   130 O OD2  . ASP A 1 74  ? 141.211 93.628  102.361 1.00 44.39 ? 23  ASP A OD2  1 
ATOM   131 N N    . SER A 1 75  ? 136.578 97.288  101.622 1.00 42.13 ? 24  SER A N    1 
ATOM   132 C CA   . SER A 1 75  ? 135.985 98.299  100.759 1.00 42.13 ? 24  SER A CA   1 
ATOM   133 C C    . SER A 1 75  ? 135.280 99.353  101.599 1.00 42.13 ? 24  SER A C    1 
ATOM   134 O O    . SER A 1 75  ? 134.982 99.147  102.774 1.00 42.13 ? 24  SER A O    1 
ATOM   135 C CB   . SER A 1 75  ? 135.011 97.686  99.746  1.00 42.13 ? 24  SER A CB   1 
ATOM   136 O OG   . SER A 1 75  ? 134.152 96.751  100.360 1.00 42.13 ? 24  SER A OG   1 
ATOM   137 N N    . SER A 1 76  ? 135.015 100.494 100.963 1.00 38.97 ? 25  SER A N    1 
ATOM   138 C CA   . SER A 1 76  ? 134.451 101.637 101.673 1.00 38.97 ? 25  SER A CA   1 
ATOM   139 C C    . SER A 1 76  ? 132.966 101.446 101.960 1.00 38.97 ? 25  SER A C    1 
ATOM   140 O O    . SER A 1 76  ? 132.455 101.927 102.980 1.00 38.97 ? 25  SER A O    1 
ATOM   141 C CB   . SER A 1 76  ? 134.676 102.903 100.854 1.00 38.97 ? 25  SER A CB   1 
ATOM   142 O OG   . SER A 1 76  ? 136.054 103.133 100.660 1.00 38.97 ? 25  SER A OG   1 
ATOM   143 N N    . VAL A 1 77  ? 132.261 100.745 101.073 1.00 39.07 ? 26  VAL A N    1 
ATOM   144 C CA   . VAL A 1 77  ? 130.823 100.551 101.232 1.00 39.07 ? 26  VAL A CA   1 
ATOM   145 C C    . VAL A 1 77  ? 130.519 99.853  102.550 1.00 39.07 ? 26  VAL A C    1 
ATOM   146 O O    . VAL A 1 77  ? 129.576 100.218 103.267 1.00 39.07 ? 26  VAL A O    1 
ATOM   147 C CB   . VAL A 1 77  ? 130.273 99.762  100.031 1.00 39.07 ? 26  VAL A CB   1 
ATOM   148 C CG1  . VAL A 1 77  ? 128.776 99.635  100.117 1.00 39.07 ? 26  VAL A CG1  1 
ATOM   149 C CG2  . VAL A 1 77  ? 130.680 100.427 98.743  1.00 39.07 ? 26  VAL A CG2  1 
ATOM   150 N N    . VAL A 1 78  ? 131.313 98.840  102.890 1.00 37.71 ? 27  VAL A N    1 
ATOM   151 C CA   . VAL A 1 78  ? 131.084 98.073  104.106 1.00 37.71 ? 27  VAL A CA   1 
ATOM   152 C C    . VAL A 1 78  ? 131.256 98.947  105.340 1.00 37.71 ? 27  VAL A C    1 
ATOM   153 O O    . VAL A 1 78  ? 130.462 98.873  106.293 1.00 37.71 ? 27  VAL A O    1 
ATOM   154 C CB   . VAL A 1 78  ? 132.028 96.858  104.117 1.00 37.71 ? 27  VAL A CB   1 
ATOM   155 C CG1  . VAL A 1 78  ? 131.814 96.026  105.352 1.00 37.71 ? 27  VAL A CG1  1 
ATOM   156 C CG2  . VAL A 1 78  ? 131.810 96.021  102.870 1.00 37.71 ? 27  VAL A CG2  1 
ATOM   157 N N    . LYS A 1 79  ? 132.272 99.805  105.336 1.00 37.91 ? 28  LYS A N    1 
ATOM   158 C CA   . LYS A 1 79  ? 132.472 100.698 106.466 1.00 37.91 ? 28  LYS A CA   1 
ATOM   159 C C    . LYS A 1 79  ? 131.339 101.705 106.584 1.00 37.91 ? 28  LYS A C    1 
ATOM   160 O O    . LYS A 1 79  ? 130.928 102.041 107.699 1.00 37.91 ? 28  LYS A O    1 
ATOM   161 C CB   . LYS A 1 79  ? 133.824 101.387 106.337 1.00 37.91 ? 28  LYS A CB   1 
ATOM   162 C CG   . LYS A 1 79  ? 134.954 100.396 106.191 1.00 37.91 ? 28  LYS A CG   1 
ATOM   163 C CD   . LYS A 1 79  ? 136.283 101.058 105.950 1.00 37.91 ? 28  LYS A CD   1 
ATOM   164 C CE   . LYS A 1 79  ? 137.359 100.020 105.756 1.00 37.91 ? 28  LYS A CE   1 
ATOM   165 N NZ   . LYS A 1 79  ? 138.647 100.638 105.391 1.00 37.91 ? 28  LYS A NZ   1 
ATOM   166 N N    . TRP A 1 80  ? 130.799 102.172 105.457 1.00 36.97 ? 29  TRP A N    1 
ATOM   167 C CA   . TRP A 1 80  ? 129.663 103.085 105.535 1.00 36.97 ? 29  TRP A CA   1 
ATOM   168 C C    . TRP A 1 80  ? 128.422 102.392 106.100 1.00 36.97 ? 29  TRP A C    1 
ATOM   169 O O    . TRP A 1 80  ? 127.670 103.000 106.873 1.00 36.97 ? 29  TRP A O    1 
ATOM   170 C CB   . TRP A 1 80  ? 129.382 103.696 104.161 1.00 36.97 ? 29  TRP A CB   1 
ATOM   171 C CG   . TRP A 1 80  ? 130.525 104.517 103.629 1.00 36.97 ? 29  TRP A CG   1 
ATOM   172 C CD1  . TRP A 1 80  ? 131.640 104.889 104.306 1.00 36.97 ? 29  TRP A CD1  1 
ATOM   173 C CD2  . TRP A 1 80  ? 130.670 105.048 102.304 1.00 36.97 ? 29  TRP A CD2  1 
ATOM   174 N NE1  . TRP A 1 80  ? 132.468 105.616 103.497 1.00 36.97 ? 29  TRP A NE1  1 
ATOM   175 C CE2  . TRP A 1 80  ? 131.894 105.730 102.261 1.00 36.97 ? 29  TRP A CE2  1 
ATOM   176 C CE3  . TRP A 1 80  ? 129.886 105.010 101.153 1.00 36.97 ? 29  TRP A CE3  1 
ATOM   177 C CZ2  . TRP A 1 80  ? 132.350 106.373 101.116 1.00 36.97 ? 29  TRP A CZ2  1 
ATOM   178 C CZ3  . TRP A 1 80  ? 130.343 105.648 100.018 1.00 36.97 ? 29  TRP A CZ3  1 
ATOM   179 C CH2  . TRP A 1 80  ? 131.561 106.320 100.008 1.00 36.97 ? 29  TRP A CH2  1 
ATOM   180 N N    . VAL A 1 81  ? 128.212 101.119 105.762 1.00 35.57 ? 30  VAL A N    1 
ATOM   181 C CA   . VAL A 1 81  ? 127.087 100.382 106.338 1.00 35.57 ? 30  VAL A CA   1 
ATOM   182 C C    . VAL A 1 81  ? 127.241 100.255 107.855 1.00 35.57 ? 30  VAL A C    1 
ATOM   183 O O    . VAL A 1 81  ? 126.287 100.476 108.619 1.00 35.57 ? 30  VAL A O    1 
ATOM   184 C CB   . VAL A 1 81  ? 126.949 99.003  105.664 1.00 35.57 ? 30  VAL A CB   1 
ATOM   185 C CG1  . VAL A 1 81  ? 125.811 98.222  106.281 1.00 35.57 ? 30  VAL A CG1  1 
ATOM   186 C CG2  . VAL A 1 81  ? 126.723 99.154  104.177 1.00 35.57 ? 30  VAL A CG2  1 
ATOM   187 N N    . VAL A 1 82  ? 128.444 99.921  108.322 1.00 33.25 ? 31  VAL A N    1 
ATOM   188 C CA   . VAL A 1 82  ? 128.616 99.761  109.766 1.00 33.25 ? 31  VAL A CA   1 
ATOM   189 C C    . VAL A 1 82  ? 128.477 101.103 110.494 1.00 33.25 ? 31  VAL A C    1 
ATOM   190 O O    . VAL A 1 82  ? 127.921 101.172 111.607 1.00 33.25 ? 31  VAL A O    1 
ATOM   191 C CB   . VAL A 1 82  ? 129.962 99.073  110.056 1.00 33.25 ? 31  VAL A CB   1 
ATOM   192 C CG1  . VAL A 1 82  ? 130.097 98.771  111.528 1.00 33.25 ? 31  VAL A CG1  1 
ATOM   193 C CG2  . VAL A 1 82  ? 130.081 97.799  109.251 1.00 33.25 ? 31  VAL A CG2  1 
ATOM   194 N N    . LEU A 1 83  ? 128.946 102.190 109.877 1.00 35.10 ? 32  LEU A N    1 
ATOM   195 C CA   . LEU A 1 83  ? 128.800 103.513 110.479 1.00 35.10 ? 32  LEU A CA   1 
ATOM   196 C C    . LEU A 1 83  ? 127.330 103.901 110.605 1.00 35.10 ? 32  LEU A C    1 
ATOM   197 O O    . LEU A 1 83  ? 126.895 104.445 111.638 1.00 35.10 ? 32  LEU A O    1 
ATOM   198 C CB   . LEU A 1 83  ? 129.562 104.534 109.636 1.00 35.10 ? 32  LEU A CB   1 
ATOM   199 C CG   . LEU A 1 83  ? 129.820 105.938 110.174 1.00 35.10 ? 32  LEU A CG   1 
ATOM   200 C CD1  . LEU A 1 83  ? 131.010 106.543 109.475 1.00 35.10 ? 32  LEU A CD1  1 
ATOM   201 C CD2  . LEU A 1 83  ? 128.610 106.817 109.995 1.00 35.10 ? 32  LEU A CD2  1 
ATOM   202 N N    . ALA A 1 84  ? 126.550 103.622 109.560 1.00 34.17 ? 33  ALA A N    1 
ATOM   203 C CA   . ALA A 1 84  ? 125.119 103.879 109.625 1.00 34.17 ? 33  ALA A CA   1 
ATOM   204 C C    . ALA A 1 84  ? 124.481 103.107 110.768 1.00 34.17 ? 33  ALA A C    1 
ATOM   205 O O    . ALA A 1 84  ? 123.607 103.630 111.470 1.00 34.17 ? 33  ALA A O    1 
ATOM   206 C CB   . ALA A 1 84  ? 124.465 103.516 108.297 1.00 34.17 ? 33  ALA A CB   1 
ATOM   207 N N    . GLU A 1 85  ? 124.897 101.856 110.962 1.00 34.20 ? 34  GLU A N    1 
ATOM   208 C CA   . GLU A 1 85  ? 124.348 101.086 112.071 1.00 34.20 ? 34  GLU A CA   1 
ATOM   209 C C    . GLU A 1 85  ? 124.609 101.773 113.409 1.00 34.20 ? 34  GLU A C    1 
ATOM   210 O O    . GLU A 1 85  ? 123.696 101.909 114.236 1.00 34.20 ? 34  GLU A O    1 
ATOM   211 C CB   . GLU A 1 85  ? 124.918 99.672  112.061 1.00 34.20 ? 34  GLU A CB   1 
ATOM   212 C CG   . GLU A 1 85  ? 124.691 98.935  113.348 1.00 34.20 ? 34  GLU A CG   1 
ATOM   213 C CD   . GLU A 1 85  ? 123.244 98.947  113.770 1.00 34.20 ? 34  GLU A CD   1 
ATOM   214 O OE1  . GLU A 1 85  ? 122.379 99.165  112.902 1.00 34.20 ? 34  GLU A OE1  1 
ATOM   215 O OE2  . GLU A 1 85  ? 122.968 98.743  114.968 1.00 34.20 ? 34  GLU A OE2  1 
ATOM   216 N N    . VAL A 1 86  ? 125.844 102.222 113.638 1.00 32.89 ? 35  VAL A N    1 
ATOM   217 C CA   . VAL A 1 86  ? 126.149 102.889 114.908 1.00 32.89 ? 35  VAL A CA   1 
ATOM   218 C C    . VAL A 1 86  ? 125.209 104.072 115.134 1.00 32.89 ? 35  VAL A C    1 
ATOM   219 O O    . VAL A 1 86  ? 124.614 104.233 116.213 1.00 32.89 ? 35  VAL A O    1 
ATOM   220 C CB   . VAL A 1 86  ? 127.621 103.336 114.947 1.00 32.89 ? 35  VAL A CB   1 
ATOM   221 C CG1  . VAL A 1 86  ? 127.915 104.051 116.249 1.00 32.89 ? 35  VAL A CG1  1 
ATOM   222 C CG2  . VAL A 1 86  ? 128.542 102.159 114.761 1.00 32.89 ? 35  VAL A CG2  1 
ATOM   223 N N    . LEU A 1 87  ? 125.065 104.922 114.118 1.00 34.94 ? 36  LEU A N    1 
ATOM   224 C CA   . LEU A 1 87  ? 124.288 106.145 114.312 1.00 34.94 ? 36  LEU A CA   1 
ATOM   225 C C    . LEU A 1 87  ? 122.803 105.848 114.533 1.00 34.94 ? 36  LEU A C    1 
ATOM   226 O O    . LEU A 1 87  ? 122.157 106.460 115.401 1.00 34.94 ? 36  LEU A O    1 
ATOM   227 C CB   . LEU A 1 87  ? 124.500 107.074 113.122 1.00 34.94 ? 36  LEU A CB   1 
ATOM   228 C CG   . LEU A 1 87  ? 125.910 107.656 113.070 1.00 34.94 ? 36  LEU A CG   1 
ATOM   229 C CD1  . LEU A 1 87  ? 126.143 108.452 111.815 1.00 34.94 ? 36  LEU A CD1  1 
ATOM   230 C CD2  . LEU A 1 87  ? 126.120 108.529 114.276 1.00 34.94 ? 36  LEU A CD2  1 
ATOM   231 N N    . VAL A 1 88  ? 122.247 104.910 113.764 1.00 34.33 ? 37  VAL A N    1 
ATOM   232 C CA   . VAL A 1 88  ? 120.848 104.542 113.946 1.00 34.33 ? 37  VAL A CA   1 
ATOM   233 C C    . VAL A 1 88  ? 120.616 104.003 115.348 1.00 34.33 ? 37  VAL A C    1 
ATOM   234 O O    . VAL A 1 88  ? 119.621 104.348 116.001 1.00 34.33 ? 37  VAL A O    1 
ATOM   235 C CB   . VAL A 1 88  ? 120.427 103.515 112.878 1.00 34.33 ? 37  VAL A CB   1 
ATOM   236 C CG1  . VAL A 1 88  ? 118.988 103.108 113.072 1.00 34.33 ? 37  VAL A CG1  1 
ATOM   237 C CG2  . VAL A 1 88  ? 120.639 104.069 111.491 1.00 34.33 ? 37  VAL A CG2  1 
ATOM   238 N N    . GLY A 1 89  ? 121.530 103.165 115.838 1.00 36.50 ? 38  GLY A N    1 
ATOM   239 C CA   . GLY A 1 89  ? 121.374 102.619 117.173 1.00 36.50 ? 38  GLY A CA   1 
ATOM   240 C C    . GLY A 1 89  ? 121.375 103.688 118.245 1.00 36.50 ? 38  GLY A C    1 
ATOM   241 O O    . GLY A 1 89  ? 120.552 103.658 119.163 1.00 36.50 ? 38  GLY A O    1 
ATOM   242 N N    . ALA A 1 90  ? 122.299 104.644 118.152 1.00 36.08 ? 39  ALA A N    1 
ATOM   243 C CA   . ALA A 1 90  ? 122.335 105.695 119.166 1.00 36.08 ? 39  ALA A CA   1 
ATOM   244 C C    . ALA A 1 90  ? 121.047 106.514 119.162 1.00 36.08 ? 39  ALA A C    1 
ATOM   245 O O    . ALA A 1 90  ? 120.463 106.783 120.227 1.00 36.08 ? 39  ALA A O    1 
ATOM   246 C CB   . ALA A 1 90  ? 123.554 106.590 118.955 1.00 36.08 ? 39  ALA A CB   1 
ATOM   247 N N    . VAL A 1 91  ? 120.574 106.901 117.974 1.00 38.17 ? 40  VAL A N    1 
ATOM   248 C CA   . VAL A 1 91  ? 119.373 107.727 117.925 1.00 38.17 ? 40  VAL A CA   1 
ATOM   249 C C    . VAL A 1 91  ? 118.164 106.967 118.453 1.00 38.17 ? 40  VAL A C    1 
ATOM   250 O O    . VAL A 1 91  ? 117.317 107.543 119.141 1.00 38.17 ? 40  VAL A O    1 
ATOM   251 C CB   . VAL A 1 91  ? 119.121 108.247 116.500 1.00 38.17 ? 40  VAL A CB   1 
ATOM   252 C CG1  . VAL A 1 91  ? 117.958 109.208 116.500 1.00 38.17 ? 40  VAL A CG1  1 
ATOM   253 C CG2  . VAL A 1 91  ? 120.354 108.916 115.959 1.00 38.17 ? 40  VAL A CG2  1 
ATOM   254 N N    . MET A 1 92  ? 118.056 105.673 118.159 1.00 40.17 ? 41  MET A N    1 
ATOM   255 C CA   . MET A 1 92  ? 116.927 104.912 118.680 1.00 40.17 ? 41  MET A CA   1 
ATOM   256 C C    . MET A 1 92  ? 117.009 104.702 120.187 1.00 40.17 ? 41  MET A C    1 
ATOM   257 O O    . MET A 1 92  ? 115.977 104.754 120.873 1.00 40.17 ? 41  MET A O    1 
ATOM   258 C CB   . MET A 1 92  ? 116.826 103.564 117.968 1.00 40.17 ? 41  MET A CB   1 
ATOM   259 C CG   . MET A 1 92  ? 116.218 103.618 116.584 1.00 40.17 ? 41  MET A CG   1 
ATOM   260 S SD   . MET A 1 92  ? 114.466 104.008 116.655 1.00 40.17 ? 41  MET A SD   1 
ATOM   261 C CE   . MET A 1 92  ? 114.497 105.740 116.249 1.00 40.17 ? 41  MET A CE   1 
ATOM   262 N N    . TYR A 1 93  ? 118.210 104.467 120.719 1.00 40.32 ? 42  TYR A N    1 
ATOM   263 C CA   . TYR A 1 93  ? 118.332 104.260 122.156 1.00 40.32 ? 42  TYR A CA   1 
ATOM   264 C C    . TYR A 1 93  ? 117.925 105.512 122.911 1.00 40.32 ? 42  TYR A C    1 
ATOM   265 O O    . TYR A 1 93  ? 117.277 105.428 123.959 1.00 40.32 ? 42  TYR A O    1 
ATOM   266 C CB   . TYR A 1 93  ? 119.757 103.844 122.524 1.00 40.32 ? 42  TYR A CB   1 
ATOM   267 C CG   . TYR A 1 93  ? 120.025 103.861 124.014 1.00 40.32 ? 42  TYR A CG   1 
ATOM   268 C CD1  . TYR A 1 93  ? 119.589 102.832 124.829 1.00 40.32 ? 42  TYR A CD1  1 
ATOM   269 C CD2  . TYR A 1 93  ? 120.706 104.910 124.604 1.00 40.32 ? 42  TYR A CD2  1 
ATOM   270 C CE1  . TYR A 1 93  ? 119.825 102.850 126.183 1.00 40.32 ? 42  TYR A CE1  1 
ATOM   271 C CE2  . TYR A 1 93  ? 120.942 104.936 125.957 1.00 40.32 ? 42  TYR A CE2  1 
ATOM   272 C CZ   . TYR A 1 93  ? 120.499 103.904 126.741 1.00 40.32 ? 42  TYR A CZ   1 
ATOM   273 O OH   . TYR A 1 93  ? 120.729 103.925 128.091 1.00 40.32 ? 42  TYR A OH   1 
ATOM   274 N N    . MET A 1 94  ? 118.275 106.684 122.380 1.00 43.31 ? 43  MET A N    1 
ATOM   275 C CA   . MET A 1 94  ? 117.887 107.922 123.048 1.00 43.31 ? 43  MET A CA   1 
ATOM   276 C C    . MET A 1 94  ? 116.372 108.062 123.173 1.00 43.31 ? 43  MET A C    1 
ATOM   277 O O    . MET A 1 94  ? 115.881 108.610 124.164 1.00 43.31 ? 43  MET A O    1 
ATOM   278 C CB   . MET A 1 94  ? 118.472 109.121 122.304 1.00 43.31 ? 43  MET A CB   1 
ATOM   279 C CG   . MET A 1 94  ? 118.105 110.453 122.900 1.00 43.31 ? 43  MET A CG   1 
ATOM   280 S SD   . MET A 1 94  ? 116.760 111.277 122.049 1.00 43.31 ? 43  MET A SD   1 
ATOM   281 C CE   . MET A 1 94  ? 117.532 111.598 120.478 1.00 43.31 ? 43  MET A CE   1 
ATOM   282 N N    . MET A 1 95  ? 115.615 107.568 122.199 1.00 44.65 ? 44  MET A N    1 
ATOM   283 C CA   . MET A 1 95  ? 114.173 107.776 122.198 1.00 44.65 ? 44  MET A CA   1 
ATOM   284 C C    . MET A 1 95  ? 113.407 106.680 122.923 1.00 44.65 ? 44  MET A C    1 
ATOM   285 O O    . MET A 1 95  ? 112.344 106.957 123.487 1.00 44.65 ? 44  MET A O    1 
ATOM   286 C CB   . MET A 1 95  ? 113.660 107.896 120.759 1.00 44.65 ? 44  MET A CB   1 
ATOM   287 C CG   . MET A 1 95  ? 114.326 109.002 119.971 1.00 44.65 ? 44  MET A CG   1 
ATOM   288 S SD   . MET A 1 95  ? 113.776 109.193 118.268 1.00 44.65 ? 44  MET A SD   1 
ATOM   289 C CE   . MET A 1 95  ? 112.124 109.811 118.500 1.00 44.65 ? 44  MET A CE   1 
ATOM   290 N N    . THR A 1 96  ? 113.907 105.445 122.937 1.00 44.74 ? 45  THR A N    1 
ATOM   291 C CA   . THR A 1 96  ? 113.157 104.367 123.571 1.00 44.74 ? 45  THR A CA   1 
ATOM   292 C C    . THR A 1 96  ? 113.747 103.857 124.879 1.00 44.74 ? 45  THR A C    1 
ATOM   293 O O    . THR A 1 96  ? 112.991 103.409 125.738 1.00 44.74 ? 45  THR A O    1 
ATOM   294 C CB   . THR A 1 96  ? 113.000 103.185 122.611 1.00 44.74 ? 45  THR A CB   1 
ATOM   295 O OG1  . THR A 1 96  ? 114.226 102.971 121.910 1.00 44.74 ? 45  THR A OG1  1 
ATOM   296 C CG2  . THR A 1 96  ? 111.907 103.463 121.619 1.00 44.74 ? 45  THR A CG2  1 
ATOM   297 N N    . LYS A 1 97  ? 115.061 103.912 125.063 1.00 44.33 ? 46  LYS A N    1 
ATOM   298 C CA   . LYS A 1 97  ? 115.697 103.398 126.277 1.00 44.33 ? 46  LYS A CA   1 
ATOM   299 C C    . LYS A 1 97  ? 115.581 101.875 126.355 1.00 44.33 ? 46  LYS A C    1 
ATOM   300 O O    . LYS A 1 97  ? 115.238 101.307 127.389 1.00 44.33 ? 46  LYS A O    1 
ATOM   301 C CB   . LYS A 1 97  ? 115.103 104.053 127.524 1.00 44.33 ? 46  LYS A CB   1 
ATOM   302 C CG   . LYS A 1 97  ? 115.429 105.525 127.707 1.00 44.33 ? 46  LYS A CG   1 
ATOM   303 C CD   . LYS A 1 97  ? 116.813 105.735 128.266 1.00 44.33 ? 46  LYS A CD   1 
ATOM   304 C CE   . LYS A 1 97  ? 117.010 107.161 128.753 1.00 44.33 ? 46  LYS A CE   1 
ATOM   305 N NZ   . LYS A 1 97  ? 116.866 108.163 127.678 1.00 44.33 ? 46  LYS A NZ   1 
ATOM   306 N N    . ASN A 1 98  ? 115.875 101.213 125.243 1.00 39.90 ? 47  ASN A N    1 
ATOM   307 C CA   . ASN A 1 98  ? 115.772 99.766  125.116 1.00 39.90 ? 47  ASN A CA   1 
ATOM   308 C C    . ASN A 1 98  ? 117.147 99.217  124.762 1.00 39.90 ? 47  ASN A C    1 
ATOM   309 O O    . ASN A 1 98  ? 117.791 99.710  123.834 1.00 39.90 ? 47  ASN A O    1 
ATOM   310 C CB   . ASN A 1 98  ? 114.744 99.403  124.043 1.00 39.90 ? 47  ASN A CB   1 
ATOM   311 C CG   . ASN A 1 98  ? 114.121 98.051  124.257 1.00 39.90 ? 47  ASN A CG   1 
ATOM   312 O OD1  . ASN A 1 98  ? 114.745 97.143  124.791 1.00 39.90 ? 47  ASN A OD1  1 
ATOM   313 N ND2  . ASN A 1 98  ? 112.877 97.908  123.835 1.00 39.90 ? 47  ASN A ND2  1 
ATOM   314 N N    . VAL A 1 99  ? 117.595 98.195  125.495 1.00 36.79 ? 48  VAL A N    1 
ATOM   315 C CA   . VAL A 1 99  ? 118.993 97.771  125.415 1.00 36.79 ? 48  VAL A CA   1 
ATOM   316 C C    . VAL A 1 99  ? 119.316 96.980  124.159 1.00 36.79 ? 48  VAL A C    1 
ATOM   317 O O    . VAL A 1 99  ? 120.492 96.881  123.790 1.00 36.79 ? 48  VAL A O    1 
ATOM   318 C CB   . VAL A 1 99  ? 119.382 96.936  126.650 1.00 36.79 ? 48  VAL A CB   1 
ATOM   319 C CG1  . VAL A 1 99  ? 120.865 96.670  126.658 1.00 36.79 ? 48  VAL A CG1  1 
ATOM   320 C CG2  . VAL A 1 99  ? 118.973 97.638  127.925 1.00 36.79 ? 48  VAL A CG2  1 
ATOM   321 N N    . LYS A 1 100 ? 118.310 96.428  123.483 1.00 37.36 ? 49  LYS A N    1 
ATOM   322 C CA   . LYS A 1 100 ? 118.540 95.670  122.259 1.00 37.36 ? 49  LYS A CA   1 
ATOM   323 C C    . LYS A 1 100 ? 119.286 96.472  121.202 1.00 37.36 ? 49  LYS A C    1 
ATOM   324 O O    . LYS A 1 100 ? 119.885 95.879  120.302 1.00 37.36 ? 49  LYS A O    1 
ATOM   325 C CB   . LYS A 1 100 ? 117.201 95.173  121.714 1.00 37.36 ? 49  LYS A CB   1 
ATOM   326 C CG   . LYS A 1 100 ? 116.223 96.287  121.454 1.00 37.36 ? 49  LYS A CG   1 
ATOM   327 C CD   . LYS A 1 100 ? 114.827 95.803  121.110 1.00 37.36 ? 49  LYS A CD   1 
ATOM   328 C CE   . LYS A 1 100 ? 114.710 95.345  119.686 1.00 37.36 ? 49  LYS A CE   1 
ATOM   329 N NZ   . LYS A 1 100 ? 113.285 95.102  119.360 1.00 37.36 ? 49  LYS A NZ   1 
ATOM   330 N N    . PHE A 1 101 ? 119.276 97.798  121.290 1.00 36.51 ? 50  PHE A N    1 
ATOM   331 C CA   . PHE A 1 101 ? 119.948 98.618  120.295 1.00 36.51 ? 50  PHE A CA   1 
ATOM   332 C C    . PHE A 1 101 ? 121.439 98.785  120.558 1.00 36.51 ? 50  PHE A C    1 
ATOM   333 O O    . PHE A 1 101 ? 122.138 99.324  119.699 1.00 36.51 ? 50  PHE A O    1 
ATOM   334 C CB   . PHE A 1 101 ? 119.286 99.995  120.211 1.00 36.51 ? 50  PHE A CB   1 
ATOM   335 C CG   . PHE A 1 101 ? 117.835 99.954  119.815 1.00 36.51 ? 50  PHE A CG   1 
ATOM   336 C CD1  . PHE A 1 101 ? 117.457 99.500  118.568 1.00 36.51 ? 50  PHE A CD1  1 
ATOM   337 C CD2  . PHE A 1 101 ? 116.855 100.400 120.676 1.00 36.51 ? 50  PHE A CD2  1 
ATOM   338 C CE1  . PHE A 1 101 ? 116.134 99.469  118.202 1.00 36.51 ? 50  PHE A CE1  1 
ATOM   339 C CE2  . PHE A 1 101 ? 115.531 100.373 120.310 1.00 36.51 ? 50  PHE A CE2  1 
ATOM   340 C CZ   . PHE A 1 101 ? 115.171 99.907  119.073 1.00 36.51 ? 50  PHE A CZ   1 
ATOM   341 N N    . LEU A 1 102 ? 121.943 98.338  121.703 1.00 35.65 ? 51  LEU A N    1 
ATOM   342 C CA   . LEU A 1 102 ? 123.355 98.492  122.026 1.00 35.65 ? 51  LEU A CA   1 
ATOM   343 C C    . LEU A 1 102 ? 124.221 97.368  121.474 1.00 35.65 ? 51  LEU A C    1 
ATOM   344 O O    . LEU A 1 102 ? 125.446 97.450  121.568 1.00 35.65 ? 51  LEU A O    1 
ATOM   345 C CB   . LEU A 1 102 ? 123.548 98.585  123.542 1.00 35.65 ? 51  LEU A CB   1 
ATOM   346 C CG   . LEU A 1 102 ? 122.993 99.817  124.258 1.00 35.65 ? 51  LEU A CG   1 
ATOM   347 C CD1  . LEU A 1 102 ? 123.310 99.767  125.726 1.00 35.65 ? 51  LEU A CD1  1 
ATOM   348 C CD2  . LEU A 1 102 ? 123.533 101.081 123.657 1.00 35.65 ? 51  LEU A CD2  1 
ATOM   349 N N    . ALA A 1 103 ? 123.624 96.337  120.888 1.00 34.85 ? 52  ALA A N    1 
ATOM   350 C CA   . ALA A 1 103 ? 124.371 95.216  120.339 1.00 34.85 ? 52  ALA A CA   1 
ATOM   351 C C    . ALA A 1 103 ? 124.495 95.277  118.825 1.00 34.85 ? 52  ALA A C    1 
ATOM   352 O O    . ALA A 1 103 ? 125.232 94.475  118.239 1.00 34.85 ? 52  ALA A O    1 
ATOM   353 C CB   . ALA A 1 103 ? 123.706 93.901  120.751 1.00 34.85 ? 52  ALA A CB   1 
ATOM   354 N N    . GLY A 1 104 ? 123.845 96.253  118.194 1.00 33.98 ? 53  GLY A N    1 
ATOM   355 C CA   . GLY A 1 104 ? 123.671 96.221  116.752 1.00 33.98 ? 53  GLY A CA   1 
ATOM   356 C C    . GLY A 1 104 ? 124.965 96.030  115.989 1.00 33.98 ? 53  GLY A C    1 
ATOM   357 O O    . GLY A 1 104 ? 125.056 95.172  115.110 1.00 33.98 ? 53  GLY A O    1 
ATOM   358 N N    . PHE A 1 105 ? 125.982 96.833  116.300 1.00 34.42 ? 54  PHE A N    1 
ATOM   359 C CA   . PHE A 1 105 ? 127.168 96.810  115.455 1.00 34.42 ? 54  PHE A CA   1 
ATOM   360 C C    . PHE A 1 105 ? 127.927 95.500  115.589 1.00 34.42 ? 54  PHE A C    1 
ATOM   361 O O    . PHE A 1 105 ? 128.615 95.089  114.651 1.00 34.42 ? 54  PHE A O    1 
ATOM   362 C CB   . PHE A 1 105 ? 128.068 98.021  115.734 1.00 34.42 ? 54  PHE A CB   1 
ATOM   363 C CG   . PHE A 1 105 ? 128.700 98.043  117.093 1.00 34.42 ? 54  PHE A CG   1 
ATOM   364 C CD1  . PHE A 1 105 ? 129.939 97.482  117.301 1.00 34.42 ? 54  PHE A CD1  1 
ATOM   365 C CD2  . PHE A 1 105 ? 128.084 98.681  118.147 1.00 34.42 ? 54  PHE A CD2  1 
ATOM   366 C CE1  . PHE A 1 105 ? 130.527 97.519  118.538 1.00 34.42 ? 54  PHE A CE1  1 
ATOM   367 C CE2  . PHE A 1 105 ? 128.676 98.720  119.389 1.00 34.42 ? 54  PHE A CE2  1 
ATOM   368 C CZ   . PHE A 1 105 ? 129.895 98.138  119.580 1.00 34.42 ? 54  PHE A CZ   1 
ATOM   369 N N    . ALA A 1 106 ? 127.781 94.801  116.714 1.00 34.44 ? 55  ALA A N    1 
ATOM   370 C CA   . ALA A 1 106 ? 128.517 93.553  116.868 1.00 34.44 ? 55  ALA A CA   1 
ATOM   371 C C    . ALA A 1 106 ? 127.967 92.474  115.943 1.00 34.44 ? 55  ALA A C    1 
ATOM   372 O O    . ALA A 1 106 ? 128.712 91.887  115.150 1.00 34.44 ? 55  ALA A O    1 
ATOM   373 C CB   . ALA A 1 106 ? 128.482 93.098  118.325 1.00 34.44 ? 55  ALA A CB   1 
ATOM   374 N N    . ILE A 1 107 ? 126.658 92.232  115.996 1.00 33.55 ? 56  ILE A N    1 
ATOM   375 C CA   . ILE A 1 107 ? 126.070 91.137  115.234 1.00 33.55 ? 56  ILE A CA   1 
ATOM   376 C C    . ILE A 1 107 ? 126.295 91.330  113.739 1.00 33.55 ? 56  ILE A C    1 
ATOM   377 O O    . ILE A 1 107 ? 126.498 90.361  113.000 1.00 33.55 ? 56  ILE A O    1 
ATOM   378 C CB   . ILE A 1 107 ? 124.579 91.001  115.579 1.00 33.55 ? 56  ILE A CB   1 
ATOM   379 C CG1  . ILE A 1 107 ? 124.414 90.804  117.082 1.00 33.55 ? 56  ILE A CG1  1 
ATOM   380 C CG2  . ILE A 1 107 ? 123.981 89.821  114.863 1.00 33.55 ? 56  ILE A CG2  1 
ATOM   381 C CD1  . ILE A 1 107 ? 123.000 90.664  117.528 1.00 33.55 ? 56  ILE A CD1  1 
ATOM   382 N N    . ILE A 1 108 ? 126.274 92.575  113.267 1.00 36.10 ? 57  ILE A N    1 
ATOM   383 C CA   . ILE A 1 108 ? 126.545 92.816  111.855 1.00 36.10 ? 57  ILE A CA   1 
ATOM   384 C C    . ILE A 1 108 ? 127.973 92.423  111.510 1.00 36.10 ? 57  ILE A C    1 
ATOM   385 O O    . ILE A 1 108 ? 128.216 91.726  110.518 1.00 36.10 ? 57  ILE A O    1 
ATOM   386 C CB   . ILE A 1 108 ? 126.261 94.281  111.485 1.00 36.10 ? 57  ILE A CB   1 
ATOM   387 C CG1  . ILE A 1 108 ? 124.767 94.523  111.363 1.00 36.10 ? 57  ILE A CG1  1 
ATOM   388 C CG2  . ILE A 1 108 ? 126.917 94.636  110.178 1.00 36.10 ? 57  ILE A CG2  1 
ATOM   389 C CD1  . ILE A 1 108 ? 124.448 95.852  110.760 1.00 36.10 ? 57  ILE A CD1  1 
ATOM   390 N N    . SER A 1 109 ? 128.936 92.820  112.344 1.00 32.42 ? 58  SER A N    1 
ATOM   391 C CA   . SER A 1 109 ? 130.331 92.546  112.022 1.00 32.42 ? 58  SER A CA   1 
ATOM   392 C C    . SER A 1 109 ? 130.555 91.062  111.778 1.00 32.42 ? 58  SER A C    1 
ATOM   393 O O    . SER A 1 109 ? 130.947 90.660  110.674 1.00 32.42 ? 58  SER A O    1 
ATOM   394 C CB   . SER A 1 109 ? 131.234 93.050  113.142 1.00 32.42 ? 58  SER A CB   1 
ATOM   395 O OG   . SER A 1 109 ? 131.084 94.442  113.319 1.00 32.42 ? 58  SER A OG   1 
ATOM   396 N N    . VAL A 1 110 ? 130.260 90.229  112.776 1.00 36.04 ? 59  VAL A N    1 
ATOM   397 C CA   . VAL A 1 110 ? 130.428 88.793  112.602 1.00 36.04 ? 59  VAL A CA   1 
ATOM   398 C C    . VAL A 1 110 ? 129.720 88.335  111.337 1.00 36.04 ? 59  VAL A C    1 
ATOM   399 O O    . VAL A 1 110 ? 130.297 87.616  110.511 1.00 36.04 ? 59  VAL A O    1 
ATOM   400 C CB   . VAL A 1 110 ? 129.930 88.035  113.847 1.00 36.04 ? 59  VAL A CB   1 
ATOM   401 C CG1  . VAL A 1 110 ? 130.497 88.652  115.105 1.00 36.04 ? 59  VAL A CG1  1 
ATOM   402 C CG2  . VAL A 1 110 ? 128.427 88.025  113.911 1.00 36.04 ? 59  VAL A CG2  1 
ATOM   403 N N    . PHE A 1 111 ? 128.493 88.814  111.123 1.00 33.18 ? 60  PHE A N    1 
ATOM   404 C CA   . PHE A 1 111 ? 127.734 88.381  109.959 1.00 33.18 ? 60  PHE A CA   1 
ATOM   405 C C    . PHE A 1 111 ? 128.544 88.592  108.691 1.00 33.18 ? 60  PHE A C    1 
ATOM   406 O O    . PHE A 1 111 ? 128.806 87.637  107.947 1.00 33.18 ? 60  PHE A O    1 
ATOM   407 C CB   . PHE A 1 111 ? 126.396 89.124  109.921 1.00 33.18 ? 60  PHE A CB   1 
ATOM   408 C CG   . PHE A 1 111 ? 125.587 88.891  108.678 1.00 33.18 ? 60  PHE A CG   1 
ATOM   409 C CD1  . PHE A 1 111 ? 125.321 87.617  108.233 1.00 33.18 ? 60  PHE A CD1  1 
ATOM   410 C CD2  . PHE A 1 111 ? 125.044 89.951  107.988 1.00 33.18 ? 60  PHE A CD2  1 
ATOM   411 C CE1  . PHE A 1 111 ? 124.566 87.411  107.101 1.00 33.18 ? 60  PHE A CE1  1 
ATOM   412 C CE2  . PHE A 1 111 ? 124.289 89.746  106.861 1.00 33.18 ? 60  PHE A CE2  1 
ATOM   413 C CZ   . PHE A 1 111 ? 124.049 88.474  106.419 1.00 33.18 ? 60  PHE A CZ   1 
ATOM   414 N N    . ILE A 1 112 ? 129.046 89.810  108.487 1.00 35.51 ? 61  ILE A N    1 
ATOM   415 C CA   . ILE A 1 112 ? 129.756 90.096  107.247 1.00 35.51 ? 61  ILE A CA   1 
ATOM   416 C C    . ILE A 1 112 ? 130.931 89.148  107.081 1.00 35.51 ? 61  ILE A C    1 
ATOM   417 O O    . ILE A 1 112 ? 131.149 88.589  105.999 1.00 35.51 ? 61  ILE A O    1 
ATOM   418 C CB   . ILE A 1 112 ? 130.198 91.568  107.204 1.00 35.51 ? 61  ILE A CB   1 
ATOM   419 C CG1  . ILE A 1 112 ? 128.990 92.475  107.000 1.00 35.51 ? 61  ILE A CG1  1 
ATOM   420 C CG2  . ILE A 1 112 ? 131.193 91.783  106.093 1.00 35.51 ? 61  ILE A CG2  1 
ATOM   421 C CD1  . ILE A 1 112 ? 129.332 93.924  106.934 1.00 35.51 ? 61  ILE A CD1  1 
ATOM   422 N N    . ALA A 1 113 ? 131.676 88.907  108.159 1.00 36.87 ? 62  ALA A N    1 
ATOM   423 C CA   . ALA A 1 113 ? 132.813 88.004  108.053 1.00 36.87 ? 62  ALA A CA   1 
ATOM   424 C C    . ALA A 1 113 ? 132.364 86.654  107.521 1.00 36.87 ? 62  ALA A C    1 
ATOM   425 O O    . ALA A 1 113 ? 132.843 86.189  106.478 1.00 36.87 ? 62  ALA A O    1 
ATOM   426 C CB   . ALA A 1 113 ? 133.500 87.860  109.410 1.00 36.87 ? 62  ALA A CB   1 
ATOM   427 N N    . VAL A 1 114 ? 131.373 86.052  108.181 1.00 37.52 ? 63  VAL A N    1 
ATOM   428 C CA   . VAL A 1 114 ? 130.947 84.717  107.790 1.00 37.52 ? 63  VAL A CA   1 
ATOM   429 C C    . VAL A 1 114 ? 130.472 84.722  106.351 1.00 37.52 ? 63  VAL A C    1 
ATOM   430 O O    . VAL A 1 114 ? 130.591 83.716  105.646 1.00 37.52 ? 63  VAL A O    1 
ATOM   431 C CB   . VAL A 1 114 ? 129.857 84.200  108.745 1.00 37.52 ? 63  VAL A CB   1 
ATOM   432 C CG1  . VAL A 1 114 ? 129.687 82.714  108.579 1.00 37.52 ? 63  VAL A CG1  1 
ATOM   433 C CG2  . VAL A 1 114 ? 130.209 84.530  110.173 1.00 37.52 ? 63  VAL A CG2  1 
ATOM   434 N N    . GLY A 1 115 ? 129.961 85.858  105.878 1.00 39.49 ? 64  GLY A N    1 
ATOM   435 C CA   . GLY A 1 115 ? 129.472 85.911  104.516 1.00 39.49 ? 64  GLY A CA   1 
ATOM   436 C C    . GLY A 1 115 ? 130.594 85.877  103.501 1.00 39.49 ? 64  GLY A C    1 
ATOM   437 O O    . GLY A 1 115 ? 130.538 85.125  102.524 1.00 39.49 ? 64  GLY A O    1 
ATOM   438 N N    . MET A 1 116 ? 131.645 86.662  103.732 1.00 41.70 ? 65  MET A N    1 
ATOM   439 C CA   . MET A 1 116 ? 132.645 86.825  102.688 1.00 41.70 ? 65  MET A CA   1 
ATOM   440 C C    . MET A 1 116 ? 133.470 85.567  102.492 1.00 41.70 ? 65  MET A C    1 
ATOM   441 O O    . MET A 1 116 ? 134.072 85.394  101.430 1.00 41.70 ? 65  MET A O    1 
ATOM   442 C CB   . MET A 1 116 ? 133.546 88.015  103.000 1.00 41.70 ? 65  MET A CB   1 
ATOM   443 C CG   . MET A 1 116 ? 132.836 89.355  102.942 1.00 41.70 ? 65  MET A CG   1 
ATOM   444 S SD   . MET A 1 116 ? 132.064 89.707  101.357 1.00 41.70 ? 65  MET A SD   1 
ATOM   445 C CE   . MET A 1 116 ? 131.217 91.230  101.739 1.00 41.70 ? 65  MET A CE   1 
ATOM   446 N N    . ALA A 1 117 ? 133.500 84.688  103.487 1.00 42.37 ? 66  ALA A N    1 
ATOM   447 C CA   . ALA A 1 117 ? 134.194 83.420  103.353 1.00 42.37 ? 66  ALA A CA   1 
ATOM   448 C C    . ALA A 1 117 ? 133.408 82.412  102.531 1.00 42.37 ? 66  ALA A C    1 
ATOM   449 O O    . ALA A 1 117 ? 134.004 81.467  102.008 1.00 42.37 ? 66  ALA A O    1 
ATOM   450 C CB   . ALA A 1 117 ? 134.499 82.847  104.736 1.00 42.37 ? 66  ALA A CB   1 
ATOM   451 N N    . VAL A 1 118 ? 132.094 82.591  102.396 1.00 44.10 ? 67  VAL A N    1 
ATOM   452 C CA   . VAL A 1 118 ? 131.316 81.648  101.601 1.00 44.10 ? 67  VAL A CA   1 
ATOM   453 C C    . VAL A 1 118 ? 131.389 81.999  100.121 1.00 44.10 ? 67  VAL A C    1 
ATOM   454 O O    . VAL A 1 118 ? 131.229 81.125  99.265  1.00 44.10 ? 67  VAL A O    1 
ATOM   455 C CB   . VAL A 1 118 ? 129.859 81.596  102.092 1.00 44.10 ? 67  VAL A CB   1 
ATOM   456 C CG1  . VAL A 1 118 ? 129.040 80.669  101.228 1.00 44.10 ? 67  VAL A CG1  1 
ATOM   457 C CG2  . VAL A 1 118 ? 129.795 81.146  103.532 1.00 44.10 ? 67  VAL A CG2  1 
ATOM   458 N N    . VAL A 1 119 ? 131.629 83.266  99.793  1.00 45.14 ? 68  VAL A N    1 
ATOM   459 C CA   . VAL A 1 119 ? 131.693 83.673  98.395  1.00 45.14 ? 68  VAL A CA   1 
ATOM   460 C C    . VAL A 1 119 ? 133.044 83.312  97.795  1.00 45.14 ? 68  VAL A C    1 
ATOM   461 O O    . VAL A 1 119 ? 133.121 82.785  96.682  1.00 45.14 ? 68  VAL A O    1 
ATOM   462 C CB   . VAL A 1 119 ? 131.399 85.178  98.264  1.00 45.14 ? 68  VAL A CB   1 
ATOM   463 C CG1  . VAL A 1 119 ? 131.138 85.535  96.823  1.00 45.14 ? 68  VAL A CG1  1 
ATOM   464 C CG2  . VAL A 1 119 ? 130.226 85.572  99.127  1.00 45.14 ? 68  VAL A CG2  1 
ATOM   465 N N    . GLY A 1 120 ? 134.124 83.586  98.514  1.00 45.65 ? 69  GLY A N    1 
ATOM   466 C CA   . GLY A 1 120 ? 135.444 83.225  98.048  1.00 45.65 ? 69  GLY A CA   1 
ATOM   467 C C    . GLY A 1 120 ? 135.839 83.955  96.788  1.00 45.65 ? 69  GLY A C    1 
ATOM   468 O O    . GLY A 1 120 ? 136.177 83.330  95.781  1.00 45.65 ? 69  GLY A O    1 
ATOM   469 N N    . LEU A 1 121 ? 135.783 85.280  96.824  1.00 44.60 ? 70  LEU A N    1 
ATOM   470 C CA   . LEU A 1 121 ? 136.161 86.084  95.675  1.00 44.60 ? 70  LEU A CA   1 
ATOM   471 C C    . LEU A 1 121 ? 137.633 86.460  95.754  1.00 44.60 ? 70  LEU A C    1 
ATOM   472 O O    . LEU A 1 121 ? 138.399 85.851  96.500  1.00 44.60 ? 70  LEU A O    1 
ATOM   473 C CB   . LEU A 1 121 ? 135.301 87.341  95.583  1.00 44.60 ? 70  LEU A CB   1 
ATOM   474 C CG   . LEU A 1 121 ? 134.131 87.264  94.608  1.00 44.60 ? 70  LEU A CG   1 
ATOM   475 C CD1  . LEU A 1 121 ? 133.389 88.573  94.591  1.00 44.60 ? 70  LEU A CD1  1 
ATOM   476 C CD2  . LEU A 1 121 ? 134.607 86.906  93.225  1.00 44.60 ? 70  LEU A CD2  1 
HETATM 477 O O1   . X41 B 2 .   ? 111.104 104.570 112.378 0.30 36.93 ? 101 X41 A O1   1 
HETATM 478 O O2   . X41 B 2 .   ? 112.538 102.857 112.259 0.30 36.93 ? 101 X41 A O2   1 
HETATM 479 P P1   . X41 B 2 .   ? 112.039 103.956 111.446 0.30 36.93 ? 101 X41 A P1   1 
HETATM 480 O O3   . X41 B 2 .   ? 111.276 103.396 110.102 0.30 36.93 ? 101 X41 A O3   1 
HETATM 481 O O4   . X41 B 2 .   ? 113.261 104.977 111.034 0.30 36.93 ? 101 X41 A O4   1 
HETATM 482 C C1   . X41 B 2 .   ? 114.433 104.918 111.785 0.30 36.93 ? 101 X41 A C1   1 
HETATM 483 C C2   . X41 B 2 .   ? 115.469 105.904 111.266 0.30 36.93 ? 101 X41 A C2   1 
HETATM 484 C C3   . X41 B 2 .   ? 116.108 106.656 112.427 0.30 36.93 ? 101 X41 A C3   1 
HETATM 485 O O5   . X41 B 2 .   ? 116.673 107.861 111.996 0.30 36.93 ? 101 X41 A O5   1 
HETATM 486 C C4   . X41 B 2 .   ? 118.066 107.953 112.055 0.30 36.93 ? 101 X41 A C4   1 
HETATM 487 O O6   . X41 B 2 .   ? 118.659 107.440 112.933 0.30 36.93 ? 101 X41 A O6   1 
HETATM 488 C C5   . X41 B 2 .   ? 118.809 108.745 110.990 0.30 36.93 ? 101 X41 A C5   1 
HETATM 489 C C6   . X41 B 2 .   ? 120.325 108.669 111.103 0.30 36.93 ? 101 X41 A C6   1 
HETATM 490 C C7   . X41 B 2 .   ? 120.920 108.587 109.708 0.30 36.93 ? 101 X41 A C7   1 
HETATM 491 C C8   . X41 B 2 .   ? 122.437 108.568 109.721 0.30 36.93 ? 101 X41 A C8   1 
HETATM 492 C C9   . X41 B 2 .   ? 122.929 107.872 108.462 0.30 36.93 ? 101 X41 A C9   1 
HETATM 493 C C10  . X41 B 2 .   ? 124.358 108.254 108.106 0.30 36.93 ? 101 X41 A C10  1 
HETATM 494 C C11  . X41 B 2 .   ? 124.853 107.379 106.965 0.30 36.93 ? 101 X41 A C11  1 
HETATM 495 C C12  . X41 B 2 .   ? 126.069 107.984 106.283 0.30 36.93 ? 101 X41 A C12  1 
HETATM 496 C C13  . X41 B 2 .   ? 126.457 107.168 105.059 0.30 36.93 ? 101 X41 A C13  1 
HETATM 497 C C14  . X41 B 2 .   ? 126.568 108.029 103.810 0.30 36.93 ? 101 X41 A C14  1 
HETATM 498 C C15  . X41 B 2 .   ? 126.497 107.175 102.552 0.30 36.93 ? 101 X41 A C15  1 
HETATM 499 C C16  . X41 B 2 .   ? 126.889 108.000 101.332 0.30 36.93 ? 101 X41 A C16  1 
HETATM 500 C C17  . X41 B 2 .   ? 126.747 107.224 100.027 0.30 36.93 ? 101 X41 A C17  1 
HETATM 501 O O7   . X41 B 2 .   ? 116.446 105.192 110.577 0.30 36.93 ? 101 X41 A O7   1 
HETATM 502 C C18  . X41 B 2 .   ? 116.025 104.678 109.353 0.30 36.93 ? 101 X41 A C18  1 
HETATM 503 O O8   . X41 B 2 .   ? 114.935 104.243 109.226 0.30 36.93 ? 101 X41 A O8   1 
HETATM 504 C C19  . X41 B 2 .   ? 116.976 104.657 108.169 0.30 36.93 ? 101 X41 A C19  1 
HETATM 505 C C20  . X41 B 2 .   ? 117.676 105.988 107.991 0.30 36.93 ? 101 X41 A C20  1 
HETATM 506 C C21  . X41 B 2 .   ? 119.121 105.757 107.598 0.30 36.93 ? 101 X41 A C21  1 
HETATM 507 C C22  . X41 B 2 .   ? 119.208 105.073 106.247 0.30 36.93 ? 101 X41 A C22  1 
HETATM 508 C C23  . X41 B 2 .   ? 120.010 105.887 105.245 0.30 36.93 ? 101 X41 A C23  1 
HETATM 509 C C24  . X41 B 2 .   ? 121.459 105.437 105.186 0.30 36.93 ? 101 X41 A C24  1 
HETATM 510 C C25  . X41 B 2 .   ? 121.695 104.435 104.071 0.30 36.93 ? 101 X41 A C25  1 
HETATM 511 C C26  . X41 B 2 .   ? 123.120 104.551 103.569 0.30 36.93 ? 101 X41 A C26  1 
HETATM 512 C C27  . X41 B 2 .   ? 123.587 103.190 103.084 0.30 36.93 ? 101 X41 A C27  1 
HETATM 513 C C28  . X41 B 2 .   ? 124.696 103.309 102.051 0.30 36.93 ? 101 X41 A C28  1 
HETATM 514 C C29  . X41 B 2 .   ? 124.468 102.338 100.904 0.30 36.93 ? 101 X41 A C29  1 
HETATM 515 C C30  . X41 B 2 .   ? 125.499 102.565 99.813  0.30 36.93 ? 101 X41 A C30  1 
HETATM 516 C C31  . X41 B 2 .   ? 125.187 101.694 98.612  0.30 36.93 ? 101 X41 A C31  1 
HETATM 517 H H1   . X41 B 2 .   ? 111.919 103.138 109.466 0.30 36.93 ? 101 X41 A H1   1 
HETATM 518 H H2   . X41 B 2 .   ? 114.211 105.134 112.819 0.30 36.93 ? 101 X41 A H2   1 
HETATM 519 H H3   . X41 B 2 .   ? 114.839 103.923 111.695 0.30 36.93 ? 101 X41 A H3   1 
HETATM 520 H H4   . X41 B 2 .   ? 114.998 106.601 110.595 0.30 36.93 ? 101 X41 A H4   1 
HETATM 521 H H5   . X41 B 2 .   ? 115.352 106.873 113.161 0.30 36.93 ? 101 X41 A H5   1 
HETATM 522 H H6   . X41 B 2 .   ? 116.862 106.032 112.872 0.30 36.93 ? 101 X41 A H6   1 
HETATM 523 H H7   . X41 B 2 .   ? 118.516 109.777 111.072 0.30 36.93 ? 101 X41 A H7   1 
HETATM 524 H H8   . X41 B 2 .   ? 118.521 108.370 110.022 0.30 36.93 ? 101 X41 A H8   1 
HETATM 525 H H9   . X41 B 2 .   ? 120.612 107.801 111.674 0.30 36.93 ? 101 X41 A H9   1 
HETATM 526 H H10  . X41 B 2 .   ? 120.689 109.563 111.581 0.30 36.93 ? 101 X41 A H10  1 
HETATM 527 H H11  . X41 B 2 .   ? 120.577 107.687 109.230 0.30 36.93 ? 101 X41 A H11  1 
HETATM 528 H H12  . X41 B 2 .   ? 120.586 109.442 109.145 0.30 36.93 ? 101 X41 A H12  1 
HETATM 529 H H13  . X41 B 2 .   ? 122.776 108.029 110.590 0.30 36.93 ? 101 X41 A H13  1 
HETATM 530 H H14  . X41 B 2 .   ? 122.810 109.579 109.743 0.30 36.93 ? 101 X41 A H14  1 
HETATM 531 H H15  . X41 B 2 .   ? 122.882 106.807 108.615 0.30 36.93 ? 101 X41 A H15  1 
HETATM 532 H H16  . X41 B 2 .   ? 122.281 108.142 107.646 0.30 36.93 ? 101 X41 A H16  1 
HETATM 533 H H17  . X41 B 2 .   ? 124.386 109.287 107.802 0.30 36.93 ? 101 X41 A H17  1 
HETATM 534 H H18  . X41 B 2 .   ? 124.995 108.110 108.962 0.30 36.93 ? 101 X41 A H18  1 
HETATM 535 H H19  . X41 B 2 .   ? 124.059 107.260 106.246 0.30 36.93 ? 101 X41 A H19  1 
HETATM 536 H H20  . X41 B 2 .   ? 125.127 106.415 107.358 0.30 36.93 ? 101 X41 A H20  1 
HETATM 537 H H21  . X41 B 2 .   ? 126.892 107.976 106.978 0.30 36.93 ? 101 X41 A H21  1 
HETATM 538 H H22  . X41 B 2 .   ? 125.717 106.401 104.893 0.30 36.93 ? 101 X41 A H22  1 
HETATM 539 H H23  . X41 B 2 .   ? 127.511 108.549 103.829 0.30 36.93 ? 101 X41 A H23  1 
HETATM 540 H H24  . X41 B 2 .   ? 125.762 108.743 103.793 0.30 36.93 ? 101 X41 A H24  1 
HETATM 541 H H25  . X41 B 2 .   ? 125.489 106.814 102.431 0.30 36.93 ? 101 X41 A H25  1 
HETATM 542 H H26  . X41 B 2 .   ? 127.172 106.341 102.656 0.30 36.93 ? 101 X41 A H26  1 
HETATM 543 H H27  . X41 B 2 .   ? 126.249 108.867 101.288 0.30 36.93 ? 101 X41 A H27  1 
HETATM 544 H H28  . X41 B 2 .   ? 127.914 108.314 101.441 0.30 36.93 ? 101 X41 A H28  1 
HETATM 545 H H29  . X41 B 2 .   ? 127.088 107.816 99.191  0.30 36.93 ? 101 X41 A H29  1 
HETATM 546 H H30  . X41 B 2 .   ? 125.710 106.974 99.874  0.30 36.93 ? 101 X41 A H30  1 
HETATM 547 H H31  . X41 B 2 .   ? 127.337 106.322 100.073 0.30 36.93 ? 101 X41 A H31  1 
HETATM 548 H H32  . X41 B 2 .   ? 116.413 104.438 107.278 0.30 36.93 ? 101 X41 A H32  1 
HETATM 549 H H33  . X41 B 2 .   ? 117.722 103.896 108.319 0.30 36.93 ? 101 X41 A H33  1 
HETATM 550 H H34  . X41 B 2 .   ? 117.188 106.547 107.211 0.30 36.93 ? 101 X41 A H34  1 
HETATM 551 H H35  . X41 B 2 .   ? 117.647 106.541 108.915 0.30 36.93 ? 101 X41 A H35  1 
HETATM 552 H H36  . X41 B 2 .   ? 119.583 105.132 108.345 0.30 36.93 ? 101 X41 A H36  1 
HETATM 553 H H37  . X41 B 2 .   ? 119.622 106.709 107.558 0.30 36.93 ? 101 X41 A H37  1 
HETATM 554 H H38  . X41 B 2 .   ? 119.667 104.105 106.364 0.30 36.93 ? 101 X41 A H38  1 
HETATM 555 H H39  . X41 B 2 .   ? 118.206 104.951 105.870 0.30 36.93 ? 101 X41 A H39  1 
HETATM 556 H H40  . X41 B 2 .   ? 119.564 105.773 104.270 0.30 36.93 ? 101 X41 A H40  1 
HETATM 557 H H41  . X41 B 2 .   ? 119.983 106.927 105.527 0.30 36.93 ? 101 X41 A H41  1 
HETATM 558 H H42  . X41 B 2 .   ? 121.722 104.989 106.130 0.30 36.93 ? 101 X41 A H42  1 
HETATM 559 H H43  . X41 B 2 .   ? 122.085 106.294 105.001 0.30 36.93 ? 101 X41 A H43  1 
HETATM 560 H H44  . X41 B 2 .   ? 121.020 104.632 103.253 0.30 36.93 ? 101 X41 A H44  1 
HETATM 561 H H45  . X41 B 2 .   ? 121.539 103.435 104.448 0.30 36.93 ? 101 X41 A H45  1 
HETATM 562 H H46  . X41 B 2 .   ? 123.753 104.881 104.373 0.30 36.93 ? 101 X41 A H46  1 
HETATM 563 H H47  . X41 B 2 .   ? 123.155 105.263 102.764 0.30 36.93 ? 101 X41 A H47  1 
HETATM 564 H H48  . X41 B 2 .   ? 122.750 102.667 102.649 0.30 36.93 ? 101 X41 A H48  1 
HETATM 565 H H49  . X41 B 2 .   ? 123.957 102.635 103.931 0.30 36.93 ? 101 X41 A H49  1 
HETATM 566 H H50  . X41 B 2 .   ? 124.725 104.315 101.668 0.30 36.93 ? 101 X41 A H50  1 
HETATM 567 H H51  . X41 B 2 .   ? 125.637 103.074 102.519 0.30 36.93 ? 101 X41 A H51  1 
HETATM 568 H H52  . X41 B 2 .   ? 124.557 101.328 101.269 0.30 36.93 ? 101 X41 A H52  1 
HETATM 569 H H53  . X41 B 2 .   ? 123.484 102.487 100.491 0.30 36.93 ? 101 X41 A H53  1 
HETATM 570 H H54  . X41 B 2 .   ? 125.479 103.598 99.508  0.30 36.93 ? 101 X41 A H54  1 
HETATM 571 H H55  . X41 B 2 .   ? 126.479 102.317 100.189 0.30 36.93 ? 101 X41 A H55  1 
HETATM 572 H H56  . X41 B 2 .   ? 125.693 102.093 97.747  0.30 36.93 ? 101 X41 A H56  1 
HETATM 573 H H57  . X41 B 2 .   ? 124.123 101.688 98.445  0.30 36.93 ? 101 X41 A H57  1 
HETATM 574 H H58  . X41 B 2 .   ? 125.520 100.685 98.792  0.30 36.93 ? 101 X41 A H58  1 
HETATM 575 H H392 . X41 B 2 .   ? 125.852 108.999 105.991 0.30 36.93 ? 101 X41 A H392 1 
HETATM 576 H H3A2 . X41 B 2 .   ? 127.414 106.713 105.251 0.30 36.93 ? 101 X41 A H3A2 1 
# 
