data_9E6X
# 
_entry.id   9E6X 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9E6X         pdb_00009e6x 10.2210/pdb9e6x/pdb 
WWPDB D_1000289610 ?            ?                   
# 
_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       2025-05-21 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9E6X 
_pdbx_database_status.recvd_initial_deposition_date   2024-10-31 
_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_contact_author.id                 2 
_pdbx_contact_author.email              qh24@cornell.edu 
_pdbx_contact_author.name_first         Qingqiu 
_pdbx_contact_author.name_last          Huang 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-3783-3001 
# 
_audit_author.name               'Huang, Q.' 
_audit_author.pdbx_ordinal       1 
_audit_author.identifier_ORCID   0000-0002-3783-3001 
# 
_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                     'Crystal structure of ferritin' 
_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               'Huang, Q.' 
_citation_author.ordinal            1 
_citation_author.identifier_ORCID   0000-0002-3783-3001 
# 
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 'Ferritin light chain' 19402.934 1  ? ? ? ? 
2 non-polymer syn 'CADMIUM ION'          112.411   6  ? ? ? ? 
3 non-polymer syn 'FE (III) ION'         55.845    1  ? ? ? ? 
4 non-polymer syn GLYCEROL               92.094    1  ? ? ? ? 
5 water       nat water                  18.015    20 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Ferritin L subunit' 
# 
_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       
;SQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFFRELAEEKREGAERLLKMQNQRGGRALFQDL
QKPSQDEWGTTLDAMKAAIVLEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTNIQRLVGSQAGL
GEYLFERLTL
;
_entity_poly.pdbx_seq_one_letter_code_can   
;SQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFFRELAEEKREGAERLLKMQNQRGGRALFQDL
QKPSQDEWGTTLDAMKAAIVLEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTNIQRLVGSQAGL
GEYLFERLTL
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'CADMIUM ION'  CD  
3 'FE (III) ION' FE  
4 GLYCEROL       GOL 
5 water          HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   SER n 
1 2   GLN n 
1 3   ILE n 
1 4   ARG n 
1 5   GLN n 
1 6   ASN n 
1 7   TYR n 
1 8   SER n 
1 9   THR n 
1 10  GLU n 
1 11  VAL n 
1 12  GLU n 
1 13  ALA n 
1 14  ALA n 
1 15  VAL n 
1 16  ASN n 
1 17  ARG n 
1 18  LEU n 
1 19  VAL n 
1 20  ASN n 
1 21  LEU n 
1 22  TYR n 
1 23  LEU n 
1 24  ARG n 
1 25  ALA n 
1 26  SER n 
1 27  TYR n 
1 28  THR n 
1 29  TYR n 
1 30  LEU n 
1 31  SER n 
1 32  LEU n 
1 33  GLY n 
1 34  PHE n 
1 35  TYR n 
1 36  PHE n 
1 37  ASP n 
1 38  ARG n 
1 39  ASP n 
1 40  ASP n 
1 41  VAL n 
1 42  ALA n 
1 43  LEU n 
1 44  GLU n 
1 45  GLY n 
1 46  VAL n 
1 47  CYS n 
1 48  HIS n 
1 49  PHE n 
1 50  PHE n 
1 51  ARG n 
1 52  GLU n 
1 53  LEU n 
1 54  ALA n 
1 55  GLU n 
1 56  GLU n 
1 57  LYS n 
1 58  ARG n 
1 59  GLU n 
1 60  GLY n 
1 61  ALA n 
1 62  GLU n 
1 63  ARG n 
1 64  LEU n 
1 65  LEU n 
1 66  LYS n 
1 67  MET n 
1 68  GLN n 
1 69  ASN n 
1 70  GLN n 
1 71  ARG n 
1 72  GLY n 
1 73  GLY n 
1 74  ARG n 
1 75  ALA n 
1 76  LEU n 
1 77  PHE n 
1 78  GLN n 
1 79  ASP n 
1 80  LEU n 
1 81  GLN n 
1 82  LYS n 
1 83  PRO n 
1 84  SER n 
1 85  GLN n 
1 86  ASP n 
1 87  GLU n 
1 88  TRP n 
1 89  GLY n 
1 90  THR n 
1 91  THR n 
1 92  LEU n 
1 93  ASP n 
1 94  ALA n 
1 95  MET n 
1 96  LYS n 
1 97  ALA n 
1 98  ALA n 
1 99  ILE n 
1 100 VAL n 
1 101 LEU n 
1 102 GLU n 
1 103 LYS n 
1 104 SER n 
1 105 LEU n 
1 106 ASN n 
1 107 GLN n 
1 108 ALA n 
1 109 LEU n 
1 110 LEU n 
1 111 ASP n 
1 112 LEU n 
1 113 HIS n 
1 114 ALA n 
1 115 LEU n 
1 116 GLY n 
1 117 SER n 
1 118 ALA n 
1 119 GLN n 
1 120 ALA n 
1 121 ASP n 
1 122 PRO n 
1 123 HIS n 
1 124 LEU n 
1 125 CYS n 
1 126 ASP n 
1 127 PHE n 
1 128 LEU n 
1 129 GLU n 
1 130 SER n 
1 131 HIS n 
1 132 PHE n 
1 133 LEU n 
1 134 ASP n 
1 135 GLU n 
1 136 GLU n 
1 137 VAL n 
1 138 LYS n 
1 139 LEU n 
1 140 ILE n 
1 141 LYS n 
1 142 LYS n 
1 143 MET n 
1 144 GLY n 
1 145 ASP n 
1 146 HIS n 
1 147 LEU n 
1 148 THR n 
1 149 ASN n 
1 150 ILE n 
1 151 GLN n 
1 152 ARG n 
1 153 LEU n 
1 154 VAL n 
1 155 GLY n 
1 156 SER n 
1 157 GLN n 
1 158 ALA n 
1 159 GLY n 
1 160 LEU n 
1 161 GLY n 
1 162 GLU n 
1 163 TYR n 
1 164 LEU n 
1 165 PHE n 
1 166 GLU n 
1 167 ARG n 
1 168 LEU n 
1 169 THR n 
1 170 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           170 
_entity_src_nat.common_name                horse 
_entity_src_nat.pdbx_organism_scientific   'Equus caballus' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      9796 
_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 
CD  non-polymer         . 'CADMIUM ION'   ?                               'Cd 2'           112.411 
CYS 'L-peptide linking' y CYSTEINE        ?                               'C3 H7 N O2 S'   121.158 
FE  non-polymer         . 'FE (III) ION'  ?                               'Fe 3'           55.845  
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  
GOL non-polymer         . GLYCEROL        'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       92.094  
HIS 'L-peptide linking' y HISTIDINE       ?                               'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ?                               'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ?                               'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ?                               'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ?                               'C6 H15 N2 O2 1' 147.195 
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 
# 
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   SER 1   2   2   SER SER A . n 
A 1 2   GLN 2   3   3   GLN GLN A . n 
A 1 3   ILE 3   4   4   ILE ILE A . n 
A 1 4   ARG 4   5   5   ARG ARG A . n 
A 1 5   GLN 5   6   6   GLN GLN A . n 
A 1 6   ASN 6   7   7   ASN ASN A . n 
A 1 7   TYR 7   8   8   TYR TYR A . n 
A 1 8   SER 8   9   9   SER SER A . n 
A 1 9   THR 9   10  10  THR THR A . n 
A 1 10  GLU 10  11  11  GLU GLU A . n 
A 1 11  VAL 11  12  12  VAL VAL A . n 
A 1 12  GLU 12  13  13  GLU GLU A . n 
A 1 13  ALA 13  14  14  ALA ALA A . n 
A 1 14  ALA 14  15  15  ALA ALA A . n 
A 1 15  VAL 15  16  16  VAL VAL A . n 
A 1 16  ASN 16  17  17  ASN ASN A . n 
A 1 17  ARG 17  18  18  ARG ARG A . n 
A 1 18  LEU 18  19  19  LEU LEU A . n 
A 1 19  VAL 19  20  20  VAL VAL A . n 
A 1 20  ASN 20  21  21  ASN ASN A . n 
A 1 21  LEU 21  22  22  LEU LEU A . n 
A 1 22  TYR 22  23  23  TYR TYR A . n 
A 1 23  LEU 23  24  24  LEU LEU A . n 
A 1 24  ARG 24  25  25  ARG ARG A . n 
A 1 25  ALA 25  26  26  ALA ALA A . n 
A 1 26  SER 26  27  27  SER SER A . n 
A 1 27  TYR 27  28  28  TYR TYR A . n 
A 1 28  THR 28  29  29  THR THR A . n 
A 1 29  TYR 29  30  30  TYR TYR A . n 
A 1 30  LEU 30  31  31  LEU LEU A . n 
A 1 31  SER 31  32  32  SER SER A . n 
A 1 32  LEU 32  33  33  LEU LEU A . n 
A 1 33  GLY 33  34  34  GLY GLY A . n 
A 1 34  PHE 34  35  35  PHE PHE A . n 
A 1 35  TYR 35  36  36  TYR TYR A . n 
A 1 36  PHE 36  37  37  PHE PHE A . n 
A 1 37  ASP 37  38  38  ASP ASP A . n 
A 1 38  ARG 38  39  39  ARG ARG A . n 
A 1 39  ASP 39  40  40  ASP ASP A . n 
A 1 40  ASP 40  41  41  ASP ASP A . n 
A 1 41  VAL 41  42  42  VAL VAL A . n 
A 1 42  ALA 42  43  43  ALA ALA A . n 
A 1 43  LEU 43  44  44  LEU LEU A . n 
A 1 44  GLU 44  45  45  GLU GLU A . n 
A 1 45  GLY 45  46  46  GLY GLY A . n 
A 1 46  VAL 46  47  47  VAL VAL A . n 
A 1 47  CYS 47  48  48  CYS CYS A . n 
A 1 48  HIS 48  49  49  HIS HIS A . n 
A 1 49  PHE 49  50  50  PHE PHE A . n 
A 1 50  PHE 50  51  51  PHE PHE A . n 
A 1 51  ARG 51  52  52  ARG ARG A . n 
A 1 52  GLU 52  53  53  GLU GLU A . n 
A 1 53  LEU 53  54  54  LEU LEU A . n 
A 1 54  ALA 54  55  55  ALA ALA A . n 
A 1 55  GLU 55  56  56  GLU GLU A . n 
A 1 56  GLU 56  57  57  GLU GLU A . n 
A 1 57  LYS 57  58  58  LYS LYS A . n 
A 1 58  ARG 58  59  59  ARG ARG A . n 
A 1 59  GLU 59  60  60  GLU GLU A . n 
A 1 60  GLY 60  61  61  GLY GLY A . n 
A 1 61  ALA 61  62  62  ALA ALA A . n 
A 1 62  GLU 62  63  63  GLU GLU A . n 
A 1 63  ARG 63  64  64  ARG ARG A . n 
A 1 64  LEU 64  65  65  LEU LEU A . n 
A 1 65  LEU 65  66  66  LEU LEU A . n 
A 1 66  LYS 66  67  67  LYS LYS A . n 
A 1 67  MET 67  68  68  MET MET A . n 
A 1 68  GLN 68  69  69  GLN GLN A . n 
A 1 69  ASN 69  70  70  ASN ASN A . n 
A 1 70  GLN 70  71  71  GLN GLN A . n 
A 1 71  ARG 71  72  72  ARG ARG A . n 
A 1 72  GLY 72  73  73  GLY GLY A . n 
A 1 73  GLY 73  74  74  GLY GLY A . n 
A 1 74  ARG 74  75  75  ARG ARG A . n 
A 1 75  ALA 75  76  76  ALA ALA A . n 
A 1 76  LEU 76  77  77  LEU LEU A . n 
A 1 77  PHE 77  78  78  PHE PHE A . n 
A 1 78  GLN 78  79  79  GLN GLN A . n 
A 1 79  ASP 79  80  80  ASP ASP A . n 
A 1 80  LEU 80  81  81  LEU LEU A . n 
A 1 81  GLN 81  82  82  GLN GLN A . n 
A 1 82  LYS 82  83  83  LYS LYS A . n 
A 1 83  PRO 83  84  84  PRO PRO A . n 
A 1 84  SER 84  85  85  SER SER A . n 
A 1 85  GLN 85  86  86  GLN GLN A . n 
A 1 86  ASP 86  87  87  ASP ASP A . n 
A 1 87  GLU 87  88  88  GLU GLU A . n 
A 1 88  TRP 88  89  89  TRP TRP A . n 
A 1 89  GLY 89  90  90  GLY GLY A . n 
A 1 90  THR 90  91  91  THR THR A . n 
A 1 91  THR 91  92  92  THR THR A . n 
A 1 92  LEU 92  93  93  LEU LEU A . n 
A 1 93  ASP 93  94  94  ASP ASP A . n 
A 1 94  ALA 94  95  95  ALA ALA A . n 
A 1 95  MET 95  96  96  MET MET A . n 
A 1 96  LYS 96  97  97  LYS LYS A . n 
A 1 97  ALA 97  98  98  ALA ALA A . n 
A 1 98  ALA 98  99  99  ALA ALA A . n 
A 1 99  ILE 99  100 100 ILE ILE A . n 
A 1 100 VAL 100 101 101 VAL VAL A . n 
A 1 101 LEU 101 102 102 LEU LEU A . n 
A 1 102 GLU 102 103 103 GLU GLU A . n 
A 1 103 LYS 103 104 104 LYS LYS A . n 
A 1 104 SER 104 105 105 SER SER A . n 
A 1 105 LEU 105 106 106 LEU LEU A . n 
A 1 106 ASN 106 107 107 ASN ASN A . n 
A 1 107 GLN 107 108 108 GLN GLN A . n 
A 1 108 ALA 108 109 109 ALA ALA A . n 
A 1 109 LEU 109 110 110 LEU LEU A . n 
A 1 110 LEU 110 111 111 LEU LEU A . n 
A 1 111 ASP 111 112 112 ASP ASP A . n 
A 1 112 LEU 112 113 113 LEU LEU A . n 
A 1 113 HIS 113 114 114 HIS HIS A . n 
A 1 114 ALA 114 115 115 ALA ALA A . n 
A 1 115 LEU 115 116 116 LEU LEU A . n 
A 1 116 GLY 116 117 117 GLY GLY A . n 
A 1 117 SER 117 118 118 SER SER A . n 
A 1 118 ALA 118 119 119 ALA ALA A . n 
A 1 119 GLN 119 120 120 GLN GLN A . n 
A 1 120 ALA 120 121 121 ALA ALA A . n 
A 1 121 ASP 121 122 122 ASP ASP A . n 
A 1 122 PRO 122 123 123 PRO PRO A . n 
A 1 123 HIS 123 124 124 HIS HIS A . n 
A 1 124 LEU 124 125 125 LEU LEU A . n 
A 1 125 CYS 125 126 126 CYS CYS A . n 
A 1 126 ASP 126 127 127 ASP ASP A . n 
A 1 127 PHE 127 128 128 PHE PHE A . n 
A 1 128 LEU 128 129 129 LEU LEU A . n 
A 1 129 GLU 129 130 130 GLU GLU A . n 
A 1 130 SER 130 131 131 SER SER A . n 
A 1 131 HIS 131 132 132 HIS HIS A . n 
A 1 132 PHE 132 133 133 PHE PHE A . n 
A 1 133 LEU 133 134 134 LEU LEU A . n 
A 1 134 ASP 134 135 135 ASP ASP A . n 
A 1 135 GLU 135 136 136 GLU GLU A . n 
A 1 136 GLU 136 137 137 GLU GLU A . n 
A 1 137 VAL 137 138 138 VAL VAL A . n 
A 1 138 LYS 138 139 139 LYS LYS A . n 
A 1 139 LEU 139 140 140 LEU LEU A . n 
A 1 140 ILE 140 141 141 ILE ILE A . n 
A 1 141 LYS 141 142 142 LYS LYS A . n 
A 1 142 LYS 142 143 143 LYS LYS A . n 
A 1 143 MET 143 144 144 MET MET A . n 
A 1 144 GLY 144 145 145 GLY GLY A . n 
A 1 145 ASP 145 146 146 ASP ASP A . n 
A 1 146 HIS 146 147 147 HIS HIS A . n 
A 1 147 LEU 147 148 148 LEU LEU A . n 
A 1 148 THR 148 149 149 THR THR A . n 
A 1 149 ASN 149 150 150 ASN ASN A . n 
A 1 150 ILE 150 151 151 ILE ILE A . n 
A 1 151 GLN 151 152 152 GLN GLN A . n 
A 1 152 ARG 152 153 153 ARG ARG A . n 
A 1 153 LEU 153 154 154 LEU LEU A . n 
A 1 154 VAL 154 155 155 VAL VAL A . n 
A 1 155 GLY 155 156 156 GLY GLY A . n 
A 1 156 SER 156 157 157 SER SER A . n 
A 1 157 GLN 157 158 158 GLN GLN A . n 
A 1 158 ALA 158 159 159 ALA ALA A . n 
A 1 159 GLY 159 160 160 GLY GLY A . n 
A 1 160 LEU 160 161 161 LEU LEU A . n 
A 1 161 GLY 161 162 162 GLY GLY A . n 
A 1 162 GLU 162 163 163 GLU GLU A . n 
A 1 163 TYR 163 164 164 TYR TYR A . n 
A 1 164 LEU 164 165 165 LEU LEU A . n 
A 1 165 PHE 165 166 166 PHE PHE A . n 
A 1 166 GLU 166 167 167 GLU GLU A . n 
A 1 167 ARG 167 168 168 ARG ARG A . n 
A 1 168 LEU 168 169 169 LEU LEU A . n 
A 1 169 THR 169 170 170 THR THR A . n 
A 1 170 LEU 170 171 171 LEU LEU A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        GOL 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   GOL 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 CD  1  201 1  CD  CD  A . 
C 2 CD  1  202 3  CD  CD  A . 
D 2 CD  1  203 4  CD  CD  A . 
E 2 CD  1  204 5  CD  CD  A . 
F 2 CD  1  205 6  CD  CD  A . 
G 2 CD  1  206 7  CD  CD  A . 
H 3 FE  1  207 3  FE  FE  A . 
I 4 GOL 1  208 1  GOL CRY A . 
J 5 HOH 1  301 6  HOH HOH A . 
J 5 HOH 2  302 20 HOH HOH A . 
J 5 HOH 3  303 9  HOH HOH A . 
J 5 HOH 4  304 11 HOH HOH A . 
J 5 HOH 5  305 1  HOH HOH A . 
J 5 HOH 6  306 19 HOH HOH A . 
J 5 HOH 7  307 16 HOH HOH A . 
J 5 HOH 8  308 10 HOH HOH A . 
J 5 HOH 9  309 7  HOH HOH A . 
J 5 HOH 10 310 2  HOH HOH A . 
J 5 HOH 11 311 15 HOH HOH A . 
J 5 HOH 12 312 8  HOH HOH A . 
J 5 HOH 13 313 3  HOH HOH A . 
J 5 HOH 14 314 5  HOH HOH A . 
J 5 HOH 15 315 12 HOH HOH A . 
J 5 HOH 16 316 17 HOH HOH A . 
J 5 HOH 17 317 14 HOH HOH A . 
J 5 HOH 18 318 4  HOH HOH A . 
J 5 HOH 19 319 13 HOH HOH A . 
J 5 HOH 20 320 18 HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? '(1.20_4459: ???)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .                  2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .                  3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? .                  4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9E6X 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     182.172 
_cell.length_a_esd                 ? 
_cell.length_b                     182.172 
_cell.length_b_esd                 ? 
_cell.length_c                     182.172 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        96 
_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                         9E6X 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                209 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'F 4 3 2' 
_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                   9E6X 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             3.25 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          62.10 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    'room temperature' 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.6M (NH4)2SO4, 50mM CdSO4, 0.1M Hepes, pH7.5' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-05-22 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.98 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'CHESS BEAMLINE 7B2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.98 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   7B2 
_diffrn_source.pdbx_synchrotron_site       CHESS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9E6X 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.50 
_reflns.d_resolution_low                               50.0 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     9269 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           98.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                5.6 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          3.45 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.956 
_reflns.pdbx_CC_star                                   0.989 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.217 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.50 
_reflns_shell.d_res_low                                     2.54 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             441 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               4.0 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.056 
_reflns_shell.pdbx_CC_star                                  0.327 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          96.3 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9E6X 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.50 
_refine.ls_d_res_low                             41.79 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     8889 
_refine.ls_number_reflns_R_free                  889 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    94.02 
_refine.ls_percent_reflns_R_free                 10.00 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2022 
_refine.ls_R_factor_R_free                       0.2562 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1963 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.33 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 26.64 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.40 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1364 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         13 
_refine_hist.number_atoms_solvent             20 
_refine_hist.number_atoms_total               1397 
_refine_hist.d_res_high                       2.50 
_refine_hist.d_res_low                        41.79 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.008 ? 1391 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.918 ? 1871 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 5.741 ? 188  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.046 ? 205  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.006 ? 245  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.50 2.66  . . 121 1094 80.00 . . . . 0.3589 . . . . . . . . . . . 0.3740 
'X-RAY DIFFRACTION' 2.66 2.86  . . 149 1338 97.00 . . . . 0.2960 . . . . . . . . . . . 0.3508 
'X-RAY DIFFRACTION' 2.86 3.15  . . 149 1342 97.00 . . . . 0.2578 . . . . . . . . . . . 0.3262 
'X-RAY DIFFRACTION' 3.15 3.61  . . 153 1376 98.00 . . . . 0.1820 . . . . . . . . . . . 0.2591 
'X-RAY DIFFRACTION' 3.61 4.54  . . 155 1394 97.00 . . . . 0.1495 . . . . . . . . . . . 0.2047 
'X-RAY DIFFRACTION' 4.55 41.79 . . 162 1456 94.00 . . . . 0.1660 . . . . . . . . . . . 0.2242 
# 
_struct.entry_id                     9E6X 
_struct.title                        'Crystal structure of ferritin' 
_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        9E6X 
_struct_keywords.text            'ferritin, EM structure, METAL BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'METAL BINDING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 2 ? 
E N N 2 ? 
F N N 2 ? 
G N N 2 ? 
H N N 3 ? 
I N N 4 ? 
J N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    FRIL_HORSE 
_struct_ref.pdbx_db_accession          P02791 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;SQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFFRELAEEKREGAERLLKMQNQRGGRALFQDL
QKPSQDEWGTTLDAMKAAIVLEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTNIQRLVGSQAGL
GEYLFERLTL
;
_struct_ref.pdbx_align_begin           3 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9E6X 
_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                 170 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P02791 
_struct_ref_seq.db_align_beg                  3 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  172 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       2 
_struct_ref_seq.pdbx_auth_seq_align_end       171 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   24-meric 
_pdbx_struct_assembly.oligomeric_count     24 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 104610 ? 
1 MORE         -620   ? 
1 'SSA (A^2)'  133570 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
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            1.0000000000  0.0000000000  0.0000000000  0.0000000000   0.0000000000  
1.0000000000  0.0000000000  0.0000000000   0.0000000000  0.0000000000  1.0000000000  0.0000000000    
2  'crystal symmetry operation' 2_555  -x,-y,z          -1.0000000000 0.0000000000  0.0000000000  0.0000000000   0.0000000000  
-1.0000000000 0.0000000000  0.0000000000   0.0000000000  0.0000000000  1.0000000000  0.0000000000    
3  'crystal symmetry operation' 3_554  -x,y,-z-1        -1.0000000000 0.0000000000  0.0000000000  0.0000000000   0.0000000000  
1.0000000000  0.0000000000  0.0000000000   0.0000000000  0.0000000000  -1.0000000000 -182.1720000000 
4  'crystal symmetry operation' 4_554  x,-y,-z-1        1.0000000000  0.0000000000  0.0000000000  0.0000000000   0.0000000000  
-1.0000000000 0.0000000000  0.0000000000   0.0000000000  0.0000000000  -1.0000000000 -182.1720000000 
5  'crystal symmetry operation' 13_554 y,x,-z-1         0.0000000000  1.0000000000  0.0000000000  0.0000000000   1.0000000000  
0.0000000000  0.0000000000  0.0000000000   0.0000000000  0.0000000000  -1.0000000000 -182.1720000000 
6  'crystal symmetry operation' 14_554 -y,-x,-z-1       0.0000000000  -1.0000000000 0.0000000000  0.0000000000   -1.0000000000 
0.0000000000  0.0000000000  0.0000000000   0.0000000000  0.0000000000  -1.0000000000 -182.1720000000 
7  'crystal symmetry operation' 15_555 y,-x,z           0.0000000000  1.0000000000  0.0000000000  0.0000000000   -1.0000000000 
0.0000000000  0.0000000000  0.0000000000   0.0000000000  0.0000000000  1.0000000000  0.0000000000    
8  'crystal symmetry operation' 16_555 -y,x,z           0.0000000000  -1.0000000000 0.0000000000  0.0000000000   1.0000000000  
0.0000000000  0.0000000000  0.0000000000   0.0000000000  0.0000000000  1.0000000000  0.0000000000    
9  'crystal symmetry operation' 33_554 y,z+1/2,x-1/2    0.0000000000  1.0000000000  0.0000000000  0.0000000000   0.0000000000  
0.0000000000  1.0000000000  91.0860000000  1.0000000000  0.0000000000  0.0000000000  -91.0860000000  
10 'crystal symmetry operation' 34_554 -y,z+1/2,-x-1/2  0.0000000000  -1.0000000000 0.0000000000  0.0000000000   0.0000000000  
0.0000000000  1.0000000000  91.0860000000  -1.0000000000 0.0000000000  0.0000000000  -91.0860000000  
11 'crystal symmetry operation' 35_544 y,-z-1/2,-x-1/2  0.0000000000  1.0000000000  0.0000000000  0.0000000000   0.0000000000  
0.0000000000  -1.0000000000 -91.0860000000 -1.0000000000 0.0000000000  0.0000000000  -91.0860000000  
12 'crystal symmetry operation' 36_544 -y,-z-1/2,x-1/2  0.0000000000  -1.0000000000 0.0000000000  0.0000000000   0.0000000000  
0.0000000000  -1.0000000000 -91.0860000000 1.0000000000  0.0000000000  0.0000000000  -91.0860000000  
13 'crystal symmetry operation' 41_554 x,z+1/2,-y-1/2   1.0000000000  0.0000000000  0.0000000000  0.0000000000   0.0000000000  
0.0000000000  1.0000000000  91.0860000000  0.0000000000  -1.0000000000 0.0000000000  -91.0860000000  
14 'crystal symmetry operation' 42_554 -x,z+1/2,y-1/2   -1.0000000000 0.0000000000  0.0000000000  0.0000000000   0.0000000000  
0.0000000000  1.0000000000  91.0860000000  0.0000000000  1.0000000000  0.0000000000  -91.0860000000  
15 'crystal symmetry operation' 43_544 -x,-z-1/2,-y-1/2 -1.0000000000 0.0000000000  0.0000000000  0.0000000000   0.0000000000  
0.0000000000  -1.0000000000 -91.0860000000 0.0000000000  -1.0000000000 0.0000000000  -91.0860000000  
16 'crystal symmetry operation' 44_544 x,-z-1/2,y-1/2   1.0000000000  0.0000000000  0.0000000000  0.0000000000   0.0000000000  
0.0000000000  -1.0000000000 -91.0860000000 0.0000000000  1.0000000000  0.0000000000  -91.0860000000  
17 'crystal symmetry operation' 53_554 z+1/2,x,y-1/2    0.0000000000  0.0000000000  1.0000000000  91.0860000000  1.0000000000  
0.0000000000  0.0000000000  0.0000000000   0.0000000000  1.0000000000  0.0000000000  -91.0860000000  
18 'crystal symmetry operation' 54_554 z+1/2,-x,-y-1/2  0.0000000000  0.0000000000  1.0000000000  91.0860000000  -1.0000000000 
0.0000000000  0.0000000000  0.0000000000   0.0000000000  -1.0000000000 0.0000000000  -91.0860000000  
19 'crystal symmetry operation' 55_454 -z-1/2,-x,y-1/2  0.0000000000  0.0000000000  -1.0000000000 -91.0860000000 -1.0000000000 
0.0000000000  0.0000000000  0.0000000000   0.0000000000  1.0000000000  0.0000000000  -91.0860000000  
20 'crystal symmetry operation' 56_454 -z-1/2,x,-y-1/2  0.0000000000  0.0000000000  -1.0000000000 -91.0860000000 1.0000000000  
0.0000000000  0.0000000000  0.0000000000   0.0000000000  -1.0000000000 0.0000000000  -91.0860000000  
21 'crystal symmetry operation' 69_554 z+1/2,y,-x-1/2   0.0000000000  0.0000000000  1.0000000000  91.0860000000  0.0000000000  
1.0000000000  0.0000000000  0.0000000000   -1.0000000000 0.0000000000  0.0000000000  -91.0860000000  
22 'crystal symmetry operation' 70_554 z+1/2,-y,x-1/2   0.0000000000  0.0000000000  1.0000000000  91.0860000000  0.0000000000  
-1.0000000000 0.0000000000  0.0000000000   1.0000000000  0.0000000000  0.0000000000  -91.0860000000  
23 'crystal symmetry operation' 71_454 -z-1/2,y,x-1/2   0.0000000000  0.0000000000  -1.0000000000 -91.0860000000 0.0000000000  
1.0000000000  0.0000000000  0.0000000000   1.0000000000  0.0000000000  0.0000000000  -91.0860000000  
24 'crystal symmetry operation' 72_454 -z-1/2,-y,-x-1/2 0.0000000000  0.0000000000  -1.0000000000 -91.0860000000 0.0000000000  
-1.0000000000 0.0000000000  0.0000000000   -1.0000000000 0.0000000000  0.0000000000  -91.0860000000  
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 SER A 8   ? ASP A 37  ? SER A 9   ASP A 38  1 ? 30 
HELX_P HELX_P2 AA2 LEU A 43  ? GLY A 72  ? LEU A 44  GLY A 73  1 ? 30 
HELX_P HELX_P3 AA3 THR A 90  ? GLN A 119 ? THR A 91  GLN A 120 1 ? 30 
HELX_P HELX_P4 AA4 ASP A 121 ? PHE A 132 ? ASP A 122 PHE A 133 1 ? 12 
HELX_P HELX_P5 AA5 PHE A 132 ? GLY A 155 ? PHE A 133 GLY A 156 1 ? 24 
HELX_P HELX_P6 AA6 GLN A 157 ? THR A 169 ? GLN A 158 THR A 170 1 ? 13 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
metalc1 metalc ? ? A ASP 79 OD2 ? ? ? 1_555 C CD . CD ? ? A ASP 80 A CD 202 1_555  ? ? ? ? ? ? ? 2.524 ? ? 
metalc2 metalc ? ? A ASP 79 OD2 ? ? ? 1_555 C CD . CD ? ? A ASP 80 A CD 202 22_555 ? ? ? ? ? ? ? 2.524 ? ? 
metalc3 metalc ? ? A GLN 81 OE1 ? ? ? 1_555 C CD . CD ? ? A GLN 82 A CD 202 51_454 ? ? ? ? ? ? ? 2.665 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1 OD2 ? A ASP 79 ? A ASP 80 ? 1_555 CD ? C CD . ? A CD 202 ? 1_555 OD2 ? A ASP 79 ? A ASP 80 ? 1_555 0.0  ? 
2 OD2 ? A ASP 79 ? A ASP 80 ? 1_555 CD ? C CD . ? A CD 202 ? 1_555 OE1 ? A GLN 81 ? A GLN 82 ? 1_555 25.3 ? 
3 OD2 ? A ASP 79 ? A ASP 80 ? 1_555 CD ? C CD . ? A CD 202 ? 1_555 OE1 ? A GLN 81 ? A GLN 82 ? 1_555 25.3 ? 
# 
_pdbx_entry_details.entry_id                   9E6X 
_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_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O3 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    GOL 
_pdbx_validate_symm_contact.auth_seq_id_1     208 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O3 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    GOL 
_pdbx_validate_symm_contact.auth_seq_id_2     208 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   72_454 
_pdbx_validate_symm_contact.dist              1.91 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 VAL A 42  ? ? -120.07 -57.62 
2 1 PHE A 133 ? ? -135.07 -52.57 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A CD 202 ? C CD . 
2 1 A CD 204 ? E CD . 
3 1 A CD 206 ? G CD . 
# 
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  
CD  CD   CD N N 74  
CYS N    N  N N 75  
CYS CA   C  N R 76  
CYS C    C  N N 77  
CYS O    O  N N 78  
CYS CB   C  N N 79  
CYS SG   S  N N 80  
CYS OXT  O  N N 81  
CYS H    H  N N 82  
CYS H2   H  N N 83  
CYS HA   H  N N 84  
CYS HB2  H  N N 85  
CYS HB3  H  N N 86  
CYS HG   H  N N 87  
CYS HXT  H  N N 88  
FE  FE   FE N N 89  
GLN N    N  N N 90  
GLN CA   C  N S 91  
GLN C    C  N N 92  
GLN O    O  N N 93  
GLN CB   C  N N 94  
GLN CG   C  N N 95  
GLN CD   C  N N 96  
GLN OE1  O  N N 97  
GLN NE2  N  N N 98  
GLN OXT  O  N N 99  
GLN H    H  N N 100 
GLN H2   H  N N 101 
GLN HA   H  N N 102 
GLN HB2  H  N N 103 
GLN HB3  H  N N 104 
GLN HG2  H  N N 105 
GLN HG3  H  N N 106 
GLN HE21 H  N N 107 
GLN HE22 H  N N 108 
GLN HXT  H  N N 109 
GLU N    N  N N 110 
GLU CA   C  N S 111 
GLU C    C  N N 112 
GLU O    O  N N 113 
GLU CB   C  N N 114 
GLU CG   C  N N 115 
GLU CD   C  N N 116 
GLU OE1  O  N N 117 
GLU OE2  O  N N 118 
GLU OXT  O  N N 119 
GLU H    H  N N 120 
GLU H2   H  N N 121 
GLU HA   H  N N 122 
GLU HB2  H  N N 123 
GLU HB3  H  N N 124 
GLU HG2  H  N N 125 
GLU HG3  H  N N 126 
GLU HE2  H  N N 127 
GLU HXT  H  N N 128 
GLY N    N  N N 129 
GLY CA   C  N N 130 
GLY C    C  N N 131 
GLY O    O  N N 132 
GLY OXT  O  N N 133 
GLY H    H  N N 134 
GLY H2   H  N N 135 
GLY HA2  H  N N 136 
GLY HA3  H  N N 137 
GLY HXT  H  N N 138 
GOL C1   C  N N 139 
GOL O1   O  N N 140 
GOL C2   C  N N 141 
GOL O2   O  N N 142 
GOL C3   C  N N 143 
GOL O3   O  N N 144 
GOL H11  H  N N 145 
GOL H12  H  N N 146 
GOL HO1  H  N N 147 
GOL H2   H  N N 148 
GOL HO2  H  N N 149 
GOL H31  H  N N 150 
GOL H32  H  N N 151 
GOL HO3  H  N N 152 
HIS N    N  N N 153 
HIS CA   C  N S 154 
HIS C    C  N N 155 
HIS O    O  N N 156 
HIS CB   C  N N 157 
HIS CG   C  Y N 158 
HIS ND1  N  Y N 159 
HIS CD2  C  Y N 160 
HIS CE1  C  Y N 161 
HIS NE2  N  Y N 162 
HIS OXT  O  N N 163 
HIS H    H  N N 164 
HIS H2   H  N N 165 
HIS HA   H  N N 166 
HIS HB2  H  N N 167 
HIS HB3  H  N N 168 
HIS HD1  H  N N 169 
HIS HD2  H  N N 170 
HIS HE1  H  N N 171 
HIS HE2  H  N N 172 
HIS HXT  H  N N 173 
HOH O    O  N N 174 
HOH H1   H  N N 175 
HOH H2   H  N N 176 
ILE N    N  N N 177 
ILE CA   C  N S 178 
ILE C    C  N N 179 
ILE O    O  N N 180 
ILE CB   C  N S 181 
ILE CG1  C  N N 182 
ILE CG2  C  N N 183 
ILE CD1  C  N N 184 
ILE OXT  O  N N 185 
ILE H    H  N N 186 
ILE H2   H  N N 187 
ILE HA   H  N N 188 
ILE HB   H  N N 189 
ILE HG12 H  N N 190 
ILE HG13 H  N N 191 
ILE HG21 H  N N 192 
ILE HG22 H  N N 193 
ILE HG23 H  N N 194 
ILE HD11 H  N N 195 
ILE HD12 H  N N 196 
ILE HD13 H  N N 197 
ILE HXT  H  N N 198 
LEU N    N  N N 199 
LEU CA   C  N S 200 
LEU C    C  N N 201 
LEU O    O  N N 202 
LEU CB   C  N N 203 
LEU CG   C  N N 204 
LEU CD1  C  N N 205 
LEU CD2  C  N N 206 
LEU OXT  O  N N 207 
LEU H    H  N N 208 
LEU H2   H  N N 209 
LEU HA   H  N N 210 
LEU HB2  H  N N 211 
LEU HB3  H  N N 212 
LEU HG   H  N N 213 
LEU HD11 H  N N 214 
LEU HD12 H  N N 215 
LEU HD13 H  N N 216 
LEU HD21 H  N N 217 
LEU HD22 H  N N 218 
LEU HD23 H  N N 219 
LEU HXT  H  N N 220 
LYS N    N  N N 221 
LYS CA   C  N S 222 
LYS C    C  N N 223 
LYS O    O  N N 224 
LYS CB   C  N N 225 
LYS CG   C  N N 226 
LYS CD   C  N N 227 
LYS CE   C  N N 228 
LYS NZ   N  N N 229 
LYS OXT  O  N N 230 
LYS H    H  N N 231 
LYS H2   H  N N 232 
LYS HA   H  N N 233 
LYS HB2  H  N N 234 
LYS HB3  H  N N 235 
LYS HG2  H  N N 236 
LYS HG3  H  N N 237 
LYS HD2  H  N N 238 
LYS HD3  H  N N 239 
LYS HE2  H  N N 240 
LYS HE3  H  N N 241 
LYS HZ1  H  N N 242 
LYS HZ2  H  N N 243 
LYS HZ3  H  N N 244 
LYS HXT  H  N N 245 
MET N    N  N N 246 
MET CA   C  N S 247 
MET C    C  N N 248 
MET O    O  N N 249 
MET CB   C  N N 250 
MET CG   C  N N 251 
MET SD   S  N N 252 
MET CE   C  N N 253 
MET OXT  O  N N 254 
MET H    H  N N 255 
MET H2   H  N N 256 
MET HA   H  N N 257 
MET HB2  H  N N 258 
MET HB3  H  N N 259 
MET HG2  H  N N 260 
MET HG3  H  N N 261 
MET HE1  H  N N 262 
MET HE2  H  N N 263 
MET HE3  H  N N 264 
MET HXT  H  N N 265 
PHE N    N  N N 266 
PHE CA   C  N S 267 
PHE C    C  N N 268 
PHE O    O  N N 269 
PHE CB   C  N N 270 
PHE CG   C  Y N 271 
PHE CD1  C  Y N 272 
PHE CD2  C  Y N 273 
PHE CE1  C  Y N 274 
PHE CE2  C  Y N 275 
PHE CZ   C  Y N 276 
PHE OXT  O  N N 277 
PHE H    H  N N 278 
PHE H2   H  N N 279 
PHE HA   H  N N 280 
PHE HB2  H  N N 281 
PHE HB3  H  N N 282 
PHE HD1  H  N N 283 
PHE HD2  H  N N 284 
PHE HE1  H  N N 285 
PHE HE2  H  N N 286 
PHE HZ   H  N N 287 
PHE HXT  H  N N 288 
PRO N    N  N N 289 
PRO CA   C  N S 290 
PRO C    C  N N 291 
PRO O    O  N N 292 
PRO CB   C  N N 293 
PRO CG   C  N N 294 
PRO CD   C  N N 295 
PRO OXT  O  N N 296 
PRO H    H  N N 297 
PRO HA   H  N N 298 
PRO HB2  H  N N 299 
PRO HB3  H  N N 300 
PRO HG2  H  N N 301 
PRO HG3  H  N N 302 
PRO HD2  H  N N 303 
PRO HD3  H  N N 304 
PRO HXT  H  N N 305 
SER N    N  N N 306 
SER CA   C  N S 307 
SER C    C  N N 308 
SER O    O  N N 309 
SER CB   C  N N 310 
SER OG   O  N N 311 
SER OXT  O  N N 312 
SER H    H  N N 313 
SER H2   H  N N 314 
SER HA   H  N N 315 
SER HB2  H  N N 316 
SER HB3  H  N N 317 
SER HG   H  N N 318 
SER HXT  H  N N 319 
THR N    N  N N 320 
THR CA   C  N S 321 
THR C    C  N N 322 
THR O    O  N N 323 
THR CB   C  N R 324 
THR OG1  O  N N 325 
THR CG2  C  N N 326 
THR OXT  O  N N 327 
THR H    H  N N 328 
THR H2   H  N N 329 
THR HA   H  N N 330 
THR HB   H  N N 331 
THR HG1  H  N N 332 
THR HG21 H  N N 333 
THR HG22 H  N N 334 
THR HG23 H  N N 335 
THR HXT  H  N N 336 
TRP N    N  N N 337 
TRP CA   C  N S 338 
TRP C    C  N N 339 
TRP O    O  N N 340 
TRP CB   C  N N 341 
TRP CG   C  Y N 342 
TRP CD1  C  Y N 343 
TRP CD2  C  Y N 344 
TRP NE1  N  Y N 345 
TRP CE2  C  Y N 346 
TRP CE3  C  Y N 347 
TRP CZ2  C  Y N 348 
TRP CZ3  C  Y N 349 
TRP CH2  C  Y N 350 
TRP OXT  O  N N 351 
TRP H    H  N N 352 
TRP H2   H  N N 353 
TRP HA   H  N N 354 
TRP HB2  H  N N 355 
TRP HB3  H  N N 356 
TRP HD1  H  N N 357 
TRP HE1  H  N N 358 
TRP HE3  H  N N 359 
TRP HZ2  H  N N 360 
TRP HZ3  H  N N 361 
TRP HH2  H  N N 362 
TRP HXT  H  N N 363 
TYR N    N  N N 364 
TYR CA   C  N S 365 
TYR C    C  N N 366 
TYR O    O  N N 367 
TYR CB   C  N N 368 
TYR CG   C  Y N 369 
TYR CD1  C  Y N 370 
TYR CD2  C  Y N 371 
TYR CE1  C  Y N 372 
TYR CE2  C  Y N 373 
TYR CZ   C  Y N 374 
TYR OH   O  N N 375 
TYR OXT  O  N N 376 
TYR H    H  N N 377 
TYR H2   H  N N 378 
TYR HA   H  N N 379 
TYR HB2  H  N N 380 
TYR HB3  H  N N 381 
TYR HD1  H  N N 382 
TYR HD2  H  N N 383 
TYR HE1  H  N N 384 
TYR HE2  H  N N 385 
TYR HH   H  N N 386 
TYR HXT  H  N N 387 
VAL N    N  N N 388 
VAL CA   C  N S 389 
VAL C    C  N N 390 
VAL O    O  N N 391 
VAL CB   C  N N 392 
VAL CG1  C  N N 393 
VAL CG2  C  N N 394 
VAL OXT  O  N N 395 
VAL H    H  N N 396 
VAL H2   H  N N 397 
VAL HA   H  N N 398 
VAL HB   H  N N 399 
VAL HG11 H  N N 400 
VAL HG12 H  N N 401 
VAL HG13 H  N N 402 
VAL HG21 H  N N 403 
VAL HG22 H  N N 404 
VAL HG23 H  N N 405 
VAL HXT  H  N N 406 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
GOL C1  O1   sing N N 129 
GOL C1  C2   sing N N 130 
GOL C1  H11  sing N N 131 
GOL C1  H12  sing N N 132 
GOL O1  HO1  sing N N 133 
GOL C2  O2   sing N N 134 
GOL C2  C3   sing N N 135 
GOL C2  H2   sing N N 136 
GOL O2  HO2  sing N N 137 
GOL C3  O3   sing N N 138 
GOL C3  H31  sing N N 139 
GOL C3  H32  sing N N 140 
GOL O3  HO3  sing N N 141 
HIS N   CA   sing N N 142 
HIS N   H    sing N N 143 
HIS N   H2   sing N N 144 
HIS CA  C    sing N N 145 
HIS CA  CB   sing N N 146 
HIS CA  HA   sing N N 147 
HIS C   O    doub N N 148 
HIS C   OXT  sing N N 149 
HIS CB  CG   sing N N 150 
HIS CB  HB2  sing N N 151 
HIS CB  HB3  sing N N 152 
HIS CG  ND1  sing Y N 153 
HIS CG  CD2  doub Y N 154 
HIS ND1 CE1  doub Y N 155 
HIS ND1 HD1  sing N N 156 
HIS CD2 NE2  sing Y N 157 
HIS CD2 HD2  sing N N 158 
HIS CE1 NE2  sing Y N 159 
HIS CE1 HE1  sing N N 160 
HIS NE2 HE2  sing N N 161 
HIS OXT HXT  sing N N 162 
HOH O   H1   sing N N 163 
HOH O   H2   sing N N 164 
ILE N   CA   sing N N 165 
ILE N   H    sing N N 166 
ILE N   H2   sing N N 167 
ILE CA  C    sing N N 168 
ILE CA  CB   sing N N 169 
ILE CA  HA   sing N N 170 
ILE C   O    doub N N 171 
ILE C   OXT  sing N N 172 
ILE CB  CG1  sing N N 173 
ILE CB  CG2  sing N N 174 
ILE CB  HB   sing N N 175 
ILE CG1 CD1  sing N N 176 
ILE CG1 HG12 sing N N 177 
ILE CG1 HG13 sing N N 178 
ILE CG2 HG21 sing N N 179 
ILE CG2 HG22 sing N N 180 
ILE CG2 HG23 sing N N 181 
ILE CD1 HD11 sing N N 182 
ILE CD1 HD12 sing N N 183 
ILE CD1 HD13 sing N N 184 
ILE OXT HXT  sing N N 185 
LEU N   CA   sing N N 186 
LEU N   H    sing N N 187 
LEU N   H2   sing N N 188 
LEU CA  C    sing N N 189 
LEU CA  CB   sing N N 190 
LEU CA  HA   sing N N 191 
LEU C   O    doub N N 192 
LEU C   OXT  sing N N 193 
LEU CB  CG   sing N N 194 
LEU CB  HB2  sing N N 195 
LEU CB  HB3  sing N N 196 
LEU CG  CD1  sing N N 197 
LEU CG  CD2  sing N N 198 
LEU CG  HG   sing N N 199 
LEU CD1 HD11 sing N N 200 
LEU CD1 HD12 sing N N 201 
LEU CD1 HD13 sing N N 202 
LEU CD2 HD21 sing N N 203 
LEU CD2 HD22 sing N N 204 
LEU CD2 HD23 sing N N 205 
LEU OXT HXT  sing N N 206 
LYS N   CA   sing N N 207 
LYS N   H    sing N N 208 
LYS N   H2   sing N N 209 
LYS CA  C    sing N N 210 
LYS CA  CB   sing N N 211 
LYS CA  HA   sing N N 212 
LYS C   O    doub N N 213 
LYS C   OXT  sing N N 214 
LYS CB  CG   sing N N 215 
LYS CB  HB2  sing N N 216 
LYS CB  HB3  sing N N 217 
LYS CG  CD   sing N N 218 
LYS CG  HG2  sing N N 219 
LYS CG  HG3  sing N N 220 
LYS CD  CE   sing N N 221 
LYS CD  HD2  sing N N 222 
LYS CD  HD3  sing N N 223 
LYS CE  NZ   sing N N 224 
LYS CE  HE2  sing N N 225 
LYS CE  HE3  sing N N 226 
LYS NZ  HZ1  sing N N 227 
LYS NZ  HZ2  sing N N 228 
LYS NZ  HZ3  sing N N 229 
LYS OXT HXT  sing N N 230 
MET N   CA   sing N N 231 
MET N   H    sing N N 232 
MET N   H2   sing N N 233 
MET CA  C    sing N N 234 
MET CA  CB   sing N N 235 
MET CA  HA   sing N N 236 
MET C   O    doub N N 237 
MET C   OXT  sing N N 238 
MET CB  CG   sing N N 239 
MET CB  HB2  sing N N 240 
MET CB  HB3  sing N N 241 
MET CG  SD   sing N N 242 
MET CG  HG2  sing N N 243 
MET CG  HG3  sing N N 244 
MET SD  CE   sing N N 245 
MET CE  HE1  sing N N 246 
MET CE  HE2  sing N N 247 
MET CE  HE3  sing N N 248 
MET OXT HXT  sing N N 249 
PHE N   CA   sing N N 250 
PHE N   H    sing N N 251 
PHE N   H2   sing N N 252 
PHE CA  C    sing N N 253 
PHE CA  CB   sing N N 254 
PHE CA  HA   sing N N 255 
PHE C   O    doub N N 256 
PHE C   OXT  sing N N 257 
PHE CB  CG   sing N N 258 
PHE CB  HB2  sing N N 259 
PHE CB  HB3  sing N N 260 
PHE CG  CD1  doub Y N 261 
PHE CG  CD2  sing Y N 262 
PHE CD1 CE1  sing Y N 263 
PHE CD1 HD1  sing N N 264 
PHE CD2 CE2  doub Y N 265 
PHE CD2 HD2  sing N N 266 
PHE CE1 CZ   doub Y N 267 
PHE CE1 HE1  sing N N 268 
PHE CE2 CZ   sing Y N 269 
PHE CE2 HE2  sing N N 270 
PHE CZ  HZ   sing N N 271 
PHE OXT HXT  sing N N 272 
PRO N   CA   sing N N 273 
PRO N   CD   sing N N 274 
PRO N   H    sing N N 275 
PRO CA  C    sing N N 276 
PRO CA  CB   sing N N 277 
PRO CA  HA   sing N N 278 
PRO C   O    doub N N 279 
PRO C   OXT  sing N N 280 
PRO CB  CG   sing N N 281 
PRO CB  HB2  sing N N 282 
PRO CB  HB3  sing N N 283 
PRO CG  CD   sing N N 284 
PRO CG  HG2  sing N N 285 
PRO CG  HG3  sing N N 286 
PRO CD  HD2  sing N N 287 
PRO CD  HD3  sing N N 288 
PRO OXT HXT  sing N N 289 
SER N   CA   sing N N 290 
SER N   H    sing N N 291 
SER N   H2   sing N N 292 
SER CA  C    sing N N 293 
SER CA  CB   sing N N 294 
SER CA  HA   sing N N 295 
SER C   O    doub N N 296 
SER C   OXT  sing N N 297 
SER CB  OG   sing N N 298 
SER CB  HB2  sing N N 299 
SER CB  HB3  sing N N 300 
SER OG  HG   sing N N 301 
SER OXT HXT  sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
VAL N   CA   sing N N 371 
VAL N   H    sing N N 372 
VAL N   H2   sing N N 373 
VAL CA  C    sing N N 374 
VAL CA  CB   sing N N 375 
VAL CA  HA   sing N N 376 
VAL C   O    doub N N 377 
VAL C   OXT  sing N N 378 
VAL CB  CG1  sing N N 379 
VAL CB  CG2  sing N N 380 
VAL CB  HB   sing N N 381 
VAL CG1 HG11 sing N N 382 
VAL CG1 HG12 sing N N 383 
VAL CG1 HG13 sing N N 384 
VAL CG2 HG21 sing N N 385 
VAL CG2 HG22 sing N N 386 
VAL CG2 HG23 sing N N 387 
VAL OXT HXT  sing N N 388 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   6msx 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9E6X 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.005489 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.005489 
_atom_sites.fract_transf_matrix[2][3]   0.000000 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   0.000000 
_atom_sites.fract_transf_matrix[3][3]   0.005489 
_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  
CD 
FE 
N  
O  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N   . SER A 1 1   ? -53.505 -18.561 -68.350 1.00 68.01  ? 2   SER A N   1 
ATOM   2    C  CA  . SER A 1 1   ? -52.363 -18.237 -69.214 1.00 71.11  ? 2   SER A CA  1 
ATOM   3    C  C   . SER A 1 1   ? -52.106 -19.358 -70.233 1.00 66.25  ? 2   SER A C   1 
ATOM   4    O  O   . SER A 1 1   ? -52.127 -20.546 -69.889 1.00 66.37  ? 2   SER A O   1 
ATOM   5    C  CB  . SER A 1 1   ? -51.099 -17.976 -68.374 1.00 65.53  ? 2   SER A CB  1 
ATOM   6    O  OG  . SER A 1 1   ? -49.975 -17.672 -69.189 1.00 58.64  ? 2   SER A OG  1 
ATOM   7    N  N   . GLN A 1 2   ? -51.856 -18.969 -71.487 1.00 62.09  ? 3   GLN A N   1 
ATOM   8    C  CA  . GLN A 1 2   ? -51.728 -19.953 -72.554 1.00 58.70  ? 3   GLN A CA  1 
ATOM   9    C  C   . GLN A 1 2   ? -50.373 -20.651 -72.507 1.00 57.43  ? 3   GLN A C   1 
ATOM   10   O  O   . GLN A 1 2   ? -50.279 -21.851 -72.785 1.00 50.66  ? 3   GLN A O   1 
ATOM   11   C  CB  . GLN A 1 2   ? -51.967 -19.285 -73.916 1.00 60.25  ? 3   GLN A CB  1 
ATOM   12   C  CG  . GLN A 1 2   ? -50.728 -18.706 -74.620 1.00 59.07  ? 3   GLN A CG  1 
ATOM   13   C  CD  . GLN A 1 2   ? -51.033 -17.446 -75.460 1.00 72.14  ? 3   GLN A CD  1 
ATOM   14   O  OE1 . GLN A 1 2   ? -51.705 -17.535 -76.495 1.00 73.50  ? 3   GLN A OE1 1 
ATOM   15   N  NE2 . GLN A 1 2   ? -50.469 -16.290 -75.061 1.00 58.25  ? 3   GLN A NE2 1 
ATOM   16   N  N   . ILE A 1 3   ? -49.319 -19.924 -72.130 1.00 56.72  ? 4   ILE A N   1 
ATOM   17   C  CA  . ILE A 1 3   ? -47.988 -20.515 -72.067 1.00 48.68  ? 4   ILE A CA  1 
ATOM   18   C  C   . ILE A 1 3   ? -47.743 -21.261 -70.766 1.00 49.59  ? 4   ILE A C   1 
ATOM   19   O  O   . ILE A 1 3   ? -46.789 -22.040 -70.684 1.00 50.96  ? 4   ILE A O   1 
ATOM   20   C  CB  . ILE A 1 3   ? -46.909 -19.431 -72.262 1.00 52.62  ? 4   ILE A CB  1 
ATOM   21   C  CG1 . ILE A 1 3   ? -46.995 -18.367 -71.166 1.00 52.89  ? 4   ILE A CG1 1 
ATOM   22   C  CG2 . ILE A 1 3   ? -46.988 -18.802 -73.658 1.00 51.92  ? 4   ILE A CG2 1 
ATOM   23   C  CD1 . ILE A 1 3   ? -45.666 -18.073 -70.507 1.00 49.23  ? 4   ILE A CD1 1 
ATOM   24   N  N   . ARG A 1 4   ? -48.561 -21.045 -69.741 1.00 53.28  ? 5   ARG A N   1 
ATOM   25   C  CA  . ARG A 1 4   ? -48.277 -21.645 -68.449 1.00 49.69  ? 5   ARG A CA  1 
ATOM   26   C  C   . ARG A 1 4   ? -48.311 -23.165 -68.551 1.00 48.33  ? 5   ARG A C   1 
ATOM   27   O  O   . ARG A 1 4   ? -49.183 -23.748 -69.203 1.00 54.05  ? 5   ARG A O   1 
ATOM   28   C  CB  . ARG A 1 4   ? -49.269 -21.152 -67.393 1.00 51.72  ? 5   ARG A CB  1 
ATOM   29   C  CG  . ARG A 1 4   ? -48.709 -21.179 -65.976 1.00 46.40  ? 5   ARG A CG  1 
ATOM   30   C  CD  . ARG A 1 4   ? -49.659 -20.544 -64.987 1.00 46.51  ? 5   ARG A CD  1 
ATOM   31   N  NE  . ARG A 1 4   ? -49.298 -20.840 -63.605 1.00 45.13  ? 5   ARG A NE  1 
ATOM   32   C  CZ  . ARG A 1 4   ? -49.527 -20.020 -62.585 1.00 52.08  ? 5   ARG A CZ  1 
ATOM   33   N  NH1 . ARG A 1 4   ? -50.125 -18.851 -62.761 1.00 48.01  ? 5   ARG A NH1 1 
ATOM   34   N  NH2 . ARG A 1 4   ? -49.147 -20.378 -61.359 1.00 51.92  ? 5   ARG A NH2 1 
ATOM   35   N  N   . GLN A 1 5   ? -47.331 -23.803 -67.921 1.00 47.35  ? 6   GLN A N   1 
ATOM   36   C  CA  . GLN A 1 5   ? -47.234 -25.258 -67.936 1.00 49.85  ? 6   GLN A CA  1 
ATOM   37   C  C   . GLN A 1 5   ? -46.288 -25.699 -66.828 1.00 47.03  ? 6   GLN A C   1 
ATOM   38   O  O   . GLN A 1 5   ? -45.140 -25.240 -66.760 1.00 44.96  ? 6   GLN A O   1 
ATOM   39   C  CB  . GLN A 1 5   ? -46.759 -25.757 -69.301 1.00 46.06  ? 6   GLN A CB  1 
ATOM   40   C  CG  . GLN A 1 5   ? -46.718 -27.254 -69.413 1.00 46.91  ? 6   GLN A CG  1 
ATOM   41   C  CD  . GLN A 1 5   ? -46.183 -27.718 -70.745 1.00 47.09  ? 6   GLN A CD  1 
ATOM   42   O  OE1 . GLN A 1 5   ? -45.315 -27.086 -71.339 1.00 48.96  ? 6   GLN A OE1 1 
ATOM   43   N  NE2 . GLN A 1 5   ? -46.706 -28.830 -71.227 1.00 49.28  ? 6   GLN A NE2 1 
ATOM   44   N  N   . ASN A 1 6   ? -46.777 -26.588 -65.967 1.00 48.56  ? 7   ASN A N   1 
ATOM   45   C  CA  . ASN A 1 6   ? -46.048 -27.116 -64.816 1.00 41.30  ? 7   ASN A CA  1 
ATOM   46   C  C   . ASN A 1 6   ? -45.607 -26.021 -63.845 1.00 44.08  ? 7   ASN A C   1 
ATOM   47   O  O   . ASN A 1 6   ? -44.605 -26.169 -63.154 1.00 45.87  ? 7   ASN A O   1 
ATOM   48   C  CB  . ASN A 1 6   ? -44.857 -27.964 -65.261 1.00 49.57  ? 7   ASN A CB  1 
ATOM   49   C  CG  . ASN A 1 6   ? -44.407 -28.933 -64.186 1.00 55.95  ? 7   ASN A CG  1 
ATOM   50   O  OD1 . ASN A 1 6   ? -45.187 -29.293 -63.297 1.00 54.55  ? 7   ASN A OD1 1 
ATOM   51   N  ND2 . ASN A 1 6   ? -43.150 -29.362 -64.256 1.00 49.57  ? 7   ASN A ND2 1 
ATOM   52   N  N   . TYR A 1 7   ? -46.367 -24.928 -63.746 1.00 52.12  ? 8   TYR A N   1 
ATOM   53   C  CA  . TYR A 1 7   ? -46.040 -23.796 -62.877 1.00 46.54  ? 8   TYR A CA  1 
ATOM   54   C  C   . TYR A 1 7   ? -47.131 -23.643 -61.820 1.00 44.49  ? 8   TYR A C   1 
ATOM   55   O  O   . TYR A 1 7   ? -48.246 -23.210 -62.133 1.00 55.61  ? 8   TYR A O   1 
ATOM   56   C  CB  . TYR A 1 7   ? -45.886 -22.519 -63.704 1.00 51.17  ? 8   TYR A CB  1 
ATOM   57   C  CG  . TYR A 1 7   ? -45.088 -21.417 -63.023 1.00 54.80  ? 8   TYR A CG  1 
ATOM   58   C  CD1 . TYR A 1 7   ? -43.807 -21.665 -62.516 1.00 45.61  ? 8   TYR A CD1 1 
ATOM   59   C  CD2 . TYR A 1 7   ? -45.617 -20.127 -62.888 1.00 43.46  ? 8   TYR A CD2 1 
ATOM   60   C  CE1 . TYR A 1 7   ? -43.067 -20.654 -61.895 1.00 48.37  ? 8   TYR A CE1 1 
ATOM   61   C  CE2 . TYR A 1 7   ? -44.889 -19.116 -62.260 1.00 48.29  ? 8   TYR A CE2 1 
ATOM   62   C  CZ  . TYR A 1 7   ? -43.613 -19.381 -61.761 1.00 49.09  ? 8   TYR A CZ  1 
ATOM   63   O  OH  . TYR A 1 7   ? -42.883 -18.370 -61.146 1.00 43.19  ? 8   TYR A OH  1 
ATOM   64   N  N   . SER A 1 8   ? -46.815 -23.979 -60.570 1.00 41.16  ? 9   SER A N   1 
ATOM   65   C  CA  . SER A 1 8   ? -47.817 -24.028 -59.512 1.00 47.44  ? 9   SER A CA  1 
ATOM   66   C  C   . SER A 1 8   ? -48.002 -22.667 -58.845 1.00 53.55  ? 9   SER A C   1 
ATOM   67   O  O   . SER A 1 8   ? -47.079 -21.852 -58.779 1.00 52.07  ? 9   SER A O   1 
ATOM   68   C  CB  . SER A 1 8   ? -47.438 -25.065 -58.456 1.00 49.79  ? 9   SER A CB  1 
ATOM   69   O  OG  . SER A 1 8   ? -46.412 -24.588 -57.608 1.00 46.47  ? 9   SER A OG  1 
ATOM   70   N  N   . THR A 1 9   ? -49.216 -22.431 -58.338 1.00 55.17  ? 10  THR A N   1 
ATOM   71   C  CA  . THR A 1 9   ? -49.493 -21.157 -57.680 1.00 48.35  ? 10  THR A CA  1 
ATOM   72   C  C   . THR A 1 9   ? -48.713 -21.026 -56.374 1.00 49.16  ? 10  THR A C   1 
ATOM   73   O  O   . THR A 1 9   ? -48.391 -19.907 -55.956 1.00 50.66  ? 10  THR A O   1 
ATOM   74   C  CB  . THR A 1 9   ? -50.998 -20.994 -57.435 1.00 43.77  ? 10  THR A CB  1 
ATOM   75   O  OG1 . THR A 1 9   ? -51.495 -22.127 -56.714 1.00 45.60  ? 10  THR A OG1 1 
ATOM   76   C  CG2 . THR A 1 9   ? -51.747 -20.879 -58.752 1.00 44.38  ? 10  THR A CG2 1 
ATOM   77   N  N   . GLU A 1 10  ? -48.389 -22.145 -55.722 1.00 49.70  ? 11  GLU A N   1 
ATOM   78   C  CA  . GLU A 1 10  ? -47.525 -22.067 -54.551 1.00 46.04  ? 11  GLU A CA  1 
ATOM   79   C  C   . GLU A 1 10  ? -46.173 -21.468 -54.921 1.00 46.13  ? 11  GLU A C   1 
ATOM   80   O  O   . GLU A 1 10  ? -45.669 -20.578 -54.227 1.00 48.72  ? 11  GLU A O   1 
ATOM   81   C  CB  . GLU A 1 10  ? -47.349 -23.451 -53.923 1.00 47.77  ? 11  GLU A CB  1 
ATOM   82   C  CG  . GLU A 1 10  ? -48.623 -24.047 -53.348 1.00 55.95  ? 11  GLU A CG  1 
ATOM   83   C  CD  . GLU A 1 10  ? -49.409 -24.863 -54.374 1.00 68.59  ? 11  GLU A CD  1 
ATOM   84   O  OE1 . GLU A 1 10  ? -48.903 -25.057 -55.510 1.00 63.81  ? 11  GLU A OE1 1 
ATOM   85   O  OE2 . GLU A 1 10  ? -50.541 -25.304 -54.046 1.00 71.27  ? 11  GLU A OE2 1 
ATOM   86   N  N   . VAL A 1 11  ? -45.589 -21.925 -56.031 1.00 46.71  ? 12  VAL A N   1 
ATOM   87   C  CA  . VAL A 1 11  ? -44.267 -21.464 -56.453 1.00 45.47  ? 12  VAL A CA  1 
ATOM   88   C  C   . VAL A 1 11  ? -44.321 -20.010 -56.912 1.00 45.90  ? 12  VAL A C   1 
ATOM   89   O  O   . VAL A 1 11  ? -43.478 -19.186 -56.528 1.00 40.59  ? 12  VAL A O   1 
ATOM   90   C  CB  . VAL A 1 11  ? -43.726 -22.379 -57.566 1.00 47.35  ? 12  VAL A CB  1 
ATOM   91   C  CG1 . VAL A 1 11  ? -42.776 -21.623 -58.487 1.00 38.58  ? 12  VAL A CG1 1 
ATOM   92   C  CG2 . VAL A 1 11  ? -43.070 -23.609 -56.965 1.00 45.98  ? 12  VAL A CG2 1 
ATOM   93   N  N   . GLU A 1 12  ? -45.302 -19.683 -57.758 1.00 48.25  ? 13  GLU A N   1 
ATOM   94   C  CA  . GLU A 1 12  ? -45.463 -18.321 -58.257 1.00 43.23  ? 13  GLU A CA  1 
ATOM   95   C  C   . GLU A 1 12  ? -45.549 -17.317 -57.112 1.00 44.36  ? 13  GLU A C   1 
ATOM   96   O  O   . GLU A 1 12  ? -44.958 -16.229 -57.170 1.00 40.65  ? 13  GLU A O   1 
ATOM   97   C  CB  . GLU A 1 12  ? -46.709 -18.266 -59.132 1.00 41.10  ? 13  GLU A CB  1 
ATOM   98   C  CG  . GLU A 1 12  ? -47.104 -16.899 -59.636 1.00 50.09  ? 13  GLU A CG  1 
ATOM   99   C  CD  . GLU A 1 12  ? -48.469 -16.938 -60.289 1.00 46.85  ? 13  GLU A CD  1 
ATOM   100  O  OE1 . GLU A 1 12  ? -49.210 -17.904 -60.015 1.00 53.51  ? 13  GLU A OE1 1 
ATOM   101  O  OE2 . GLU A 1 12  ? -48.794 -16.034 -61.081 1.00 45.40  ? 13  GLU A OE2 1 
ATOM   102  N  N   . ALA A 1 13  ? -46.269 -17.676 -56.050 1.00 45.27  ? 14  ALA A N   1 
ATOM   103  C  CA  . ALA A 1 13  ? -46.343 -16.797 -54.893 1.00 44.22  ? 14  ALA A CA  1 
ATOM   104  C  C   . ALA A 1 13  ? -44.980 -16.669 -54.221 1.00 43.27  ? 14  ALA A C   1 
ATOM   105  O  O   . ALA A 1 13  ? -44.578 -15.568 -53.822 1.00 47.55  ? 14  ALA A O   1 
ATOM   106  C  CB  . ALA A 1 13  ? -47.401 -17.312 -53.918 1.00 34.71  ? 14  ALA A CB  1 
ATOM   107  N  N   . ALA A 1 14  ? -44.247 -17.778 -54.110 1.00 39.14  ? 15  ALA A N   1 
ATOM   108  C  CA  . ALA A 1 14  ? -42.910 -17.737 -53.526 1.00 36.95  ? 15  ALA A CA  1 
ATOM   109  C  C   . ALA A 1 14  ? -42.005 -16.790 -54.294 1.00 39.85  ? 15  ALA A C   1 
ATOM   110  O  O   . ALA A 1 14  ? -41.339 -15.938 -53.698 1.00 42.92  ? 15  ALA A O   1 
ATOM   111  C  CB  . ALA A 1 14  ? -42.302 -19.135 -53.497 1.00 37.61  ? 15  ALA A CB  1 
ATOM   112  N  N   . VAL A 1 15  ? -41.968 -16.931 -55.622 1.00 38.81  ? 16  VAL A N   1 
ATOM   113  C  CA  . VAL A 1 15  ? -41.142 -16.053 -56.443 1.00 36.56  ? 16  VAL A CA  1 
ATOM   114  C  C   . VAL A 1 15  ? -41.480 -14.600 -56.167 1.00 40.08  ? 16  VAL A C   1 
ATOM   115  O  O   . VAL A 1 15  ? -40.586 -13.759 -56.021 1.00 43.44  ? 16  VAL A O   1 
ATOM   116  C  CB  . VAL A 1 15  ? -41.317 -16.393 -57.937 1.00 48.14  ? 16  VAL A CB  1 
ATOM   117  C  CG1 . VAL A 1 15  ? -40.755 -15.264 -58.807 1.00 41.93  ? 16  VAL A CG1 1 
ATOM   118  C  CG2 . VAL A 1 15  ? -40.648 -17.727 -58.281 1.00 40.43  ? 16  VAL A CG2 1 
ATOM   119  N  N   . ASN A 1 16  ? -42.775 -14.277 -56.077 1.00 43.94  ? 17  ASN A N   1 
ATOM   120  C  CA  . ASN A 1 16  ? -43.173 -12.900 -55.789 1.00 39.67  ? 17  ASN A CA  1 
ATOM   121  C  C   . ASN A 1 16  ? -42.630 -12.437 -54.444 1.00 45.52  ? 17  ASN A C   1 
ATOM   122  O  O   . ASN A 1 16  ? -42.104 -11.322 -54.326 1.00 44.92  ? 17  ASN A O   1 
ATOM   123  C  CB  . ASN A 1 16  ? -44.690 -12.772 -55.806 1.00 38.14  ? 17  ASN A CB  1 
ATOM   124  C  CG  . ASN A 1 16  ? -45.256 -12.674 -57.210 1.00 43.11  ? 17  ASN A CG  1 
ATOM   125  O  OD1 . ASN A 1 16  ? -44.518 -12.536 -58.188 1.00 45.19  ? 17  ASN A OD1 1 
ATOM   126  N  ND2 . ASN A 1 16  ? -46.580 -12.748 -57.317 1.00 41.10  ? 17  ASN A ND2 1 
ATOM   127  N  N   . ARG A 1 17  ? -42.757 -13.278 -53.414 1.00 43.16  ? 18  ARG A N   1 
ATOM   128  C  CA  . ARG A 1 17  ? -42.180 -12.924 -52.127 1.00 42.16  ? 18  ARG A CA  1 
ATOM   129  C  C   . ARG A 1 17  ? -40.662 -12.801 -52.211 1.00 45.91  ? 18  ARG A C   1 
ATOM   130  O  O   . ARG A 1 17  ? -40.071 -11.949 -51.544 1.00 44.44  ? 18  ARG A O   1 
ATOM   131  C  CB  . ARG A 1 17  ? -42.586 -13.956 -51.081 1.00 51.06  ? 18  ARG A CB  1 
ATOM   132  C  CG  . ARG A 1 17  ? -41.875 -13.800 -49.744 1.00 61.11  ? 18  ARG A CG  1 
ATOM   133  C  CD  . ARG A 1 17  ? -41.759 -15.145 -49.028 1.00 78.36  ? 18  ARG A CD  1 
ATOM   134  N  NE  . ARG A 1 17  ? -40.604 -15.216 -48.135 1.00 84.99  ? 18  ARG A NE  1 
ATOM   135  C  CZ  . ARG A 1 17  ? -40.562 -14.728 -46.901 1.00 84.02  ? 18  ARG A CZ  1 
ATOM   136  N  NH1 . ARG A 1 17  ? -41.610 -14.125 -46.358 1.00 87.20  ? 18  ARG A NH1 1 
ATOM   137  N  NH2 . ARG A 1 17  ? -39.438 -14.848 -46.195 1.00 77.35  ? 18  ARG A NH2 1 
ATOM   138  N  N   . LEU A 1 18  ? -40.012 -13.620 -53.036 1.00 46.38  ? 19  LEU A N   1 
ATOM   139  C  CA  . LEU A 1 18  ? -38.563 -13.537 -53.147 1.00 41.80  ? 19  LEU A CA  1 
ATOM   140  C  C   . LEU A 1 18  ? -38.128 -12.313 -53.941 1.00 45.97  ? 19  LEU A C   1 
ATOM   141  O  O   . LEU A 1 18  ? -37.074 -11.730 -53.638 1.00 44.67  ? 19  LEU A O   1 
ATOM   142  C  CB  . LEU A 1 18  ? -38.016 -14.814 -53.776 1.00 44.70  ? 19  LEU A CB  1 
ATOM   143  C  CG  . LEU A 1 18  ? -36.511 -15.086 -53.710 1.00 52.51  ? 19  LEU A CG  1 
ATOM   144  C  CD1 . LEU A 1 18  ? -36.049 -15.383 -52.297 1.00 43.36  ? 19  LEU A CD1 1 
ATOM   145  C  CD2 . LEU A 1 18  ? -36.159 -16.257 -54.630 1.00 53.95  ? 19  LEU A CD2 1 
ATOM   146  N  N   . VAL A 1 19  ? -38.911 -11.910 -54.950 1.00 38.10  ? 20  VAL A N   1 
ATOM   147  C  CA  . VAL A 1 19  ? -38.680 -10.615 -55.584 1.00 40.61  ? 20  VAL A CA  1 
ATOM   148  C  C   . VAL A 1 19  ? -38.671 -9.521  -54.525 1.00 45.29  ? 20  VAL A C   1 
ATOM   149  O  O   . VAL A 1 19  ? -37.769 -8.672  -54.478 1.00 39.03  ? 20  VAL A O   1 
ATOM   150  C  CB  . VAL A 1 19  ? -39.743 -10.336 -56.661 1.00 39.34  ? 20  VAL A CB  1 
ATOM   151  C  CG1 . VAL A 1 19  ? -39.748 -8.856  -57.006 1.00 38.60  ? 20  VAL A CG1 1 
ATOM   152  C  CG2 . VAL A 1 19  ? -39.504 -11.184 -57.900 1.00 37.67  ? 20  VAL A CG2 1 
ATOM   153  N  N   . ASN A 1 20  ? -39.668 -9.548  -53.635 1.00 43.93  ? 21  ASN A N   1 
ATOM   154  C  CA  . ASN A 1 20  ? -39.760 -8.547  -52.579 1.00 40.87  ? 21  ASN A CA  1 
ATOM   155  C  C   . ASN A 1 20  ? -38.552 -8.599  -51.652 1.00 44.12  ? 21  ASN A C   1 
ATOM   156  O  O   . ASN A 1 20  ? -38.047 -7.554  -51.213 1.00 43.36  ? 21  ASN A O   1 
ATOM   157  C  CB  . ASN A 1 20  ? -41.044 -8.756  -51.789 1.00 38.64  ? 21  ASN A CB  1 
ATOM   158  C  CG  . ASN A 1 20  ? -41.173 -7.812  -50.630 1.00 40.87  ? 21  ASN A CG  1 
ATOM   159  O  OD1 . ASN A 1 20  ? -41.524 -6.650  -50.815 1.00 46.52  ? 21  ASN A OD1 1 
ATOM   160  N  ND2 . ASN A 1 20  ? -40.913 -8.306  -49.416 1.00 40.23  ? 21  ASN A ND2 1 
ATOM   161  N  N   . LEU A 1 21  ? -38.073 -9.811  -51.341 1.00 43.89  ? 22  LEU A N   1 
ATOM   162  C  CA  . LEU A 1 21  ? -36.929 -9.949  -50.443 1.00 41.77  ? 22  LEU A CA  1 
ATOM   163  C  C   . LEU A 1 21  ? -35.662 -9.399  -51.083 1.00 41.41  ? 22  LEU A C   1 
ATOM   164  O  O   . LEU A 1 21  ? -34.848 -8.751  -50.415 1.00 34.07  ? 22  LEU A O   1 
ATOM   165  C  CB  . LEU A 1 21  ? -36.732 -11.411 -50.058 1.00 40.24  ? 22  LEU A CB  1 
ATOM   166  C  CG  . LEU A 1 21  ? -37.171 -11.805 -48.653 1.00 47.88  ? 22  LEU A CG  1 
ATOM   167  C  CD1 . LEU A 1 21  ? -38.689 -11.719 -48.513 1.00 53.42  ? 22  LEU A CD1 1 
ATOM   168  C  CD2 . LEU A 1 21  ? -36.676 -13.204 -48.327 1.00 49.92  ? 22  LEU A CD2 1 
ATOM   169  N  N   . TYR A 1 22  ? -35.477 -9.655  -52.376 1.00 42.11  ? 23  TYR A N   1 
ATOM   170  C  CA  . TYR A 1 22  ? -34.265 -9.191  -53.026 1.00 40.79  ? 23  TYR A CA  1 
ATOM   171  C  C   . TYR A 1 22  ? -34.266 -7.681  -53.116 1.00 45.23  ? 23  TYR A C   1 
ATOM   172  O  O   . TYR A 1 22  ? -33.246 -7.040  -52.835 1.00 46.26  ? 23  TYR A O   1 
ATOM   173  C  CB  . TYR A 1 22  ? -34.131 -9.829  -54.406 1.00 44.20  ? 23  TYR A CB  1 
ATOM   174  C  CG  . TYR A 1 22  ? -33.200 -11.018 -54.395 1.00 50.43  ? 23  TYR A CG  1 
ATOM   175  C  CD1 . TYR A 1 22  ? -33.573 -12.210 -53.770 1.00 46.32  ? 23  TYR A CD1 1 
ATOM   176  C  CD2 . TYR A 1 22  ? -31.939 -10.946 -54.985 1.00 47.59  ? 23  TYR A CD2 1 
ATOM   177  C  CE1 . TYR A 1 22  ? -32.729 -13.304 -53.750 1.00 44.14  ? 23  TYR A CE1 1 
ATOM   178  C  CE2 . TYR A 1 22  ? -31.082 -12.032 -54.964 1.00 46.51  ? 23  TYR A CE2 1 
ATOM   179  C  CZ  . TYR A 1 22  ? -31.480 -13.208 -54.347 1.00 50.22  ? 23  TYR A CZ  1 
ATOM   180  O  OH  . TYR A 1 22  ? -30.627 -14.290 -54.336 1.00 50.78  ? 23  TYR A OH  1 
ATOM   181  N  N   . LEU A 1 23  ? -35.421 -7.096  -53.466 1.00 46.13  ? 24  LEU A N   1 
ATOM   182  C  CA  . LEU A 1 23  ? -35.523 -5.643  -53.520 1.00 44.39  ? 24  LEU A CA  1 
ATOM   183  C  C   . LEU A 1 23  ? -35.260 -5.028  -52.152 1.00 44.42  ? 24  LEU A C   1 
ATOM   184  O  O   . LEU A 1 23  ? -34.571 -4.009  -52.044 1.00 49.43  ? 24  LEU A O   1 
ATOM   185  C  CB  . LEU A 1 23  ? -36.892 -5.214  -54.048 1.00 43.30  ? 24  LEU A CB  1 
ATOM   186  C  CG  . LEU A 1 23  ? -37.204 -5.474  -55.528 1.00 46.50  ? 24  LEU A CG  1 
ATOM   187  C  CD1 . LEU A 1 23  ? -38.594 -4.967  -55.928 1.00 37.83  ? 24  LEU A CD1 1 
ATOM   188  C  CD2 . LEU A 1 23  ? -36.144 -4.903  -56.433 1.00 40.88  ? 24  LEU A CD2 1 
ATOM   189  N  N   . ARG A 1 24  ? -35.772 -5.639  -51.088 1.00 43.33  ? 25  ARG A N   1 
ATOM   190  C  CA  . ARG A 1 24  ? -35.518 -5.053  -49.780 1.00 42.98  ? 25  ARG A CA  1 
ATOM   191  C  C   . ARG A 1 24  ? -34.042 -5.178  -49.385 1.00 43.96  ? 25  ARG A C   1 
ATOM   192  O  O   . ARG A 1 24  ? -33.495 -4.286  -48.728 1.00 44.40  ? 25  ARG A O   1 
ATOM   193  C  CB  . ARG A 1 24  ? -36.437 -5.683  -48.732 1.00 41.93  ? 25  ARG A CB  1 
ATOM   194  C  CG  . ARG A 1 24  ? -35.965 -5.368  -47.332 1.00 50.77  ? 25  ARG A CG  1 
ATOM   195  C  CD  . ARG A 1 24  ? -37.050 -5.362  -46.309 1.00 56.90  ? 25  ARG A CD  1 
ATOM   196  N  NE  . ARG A 1 24  ? -36.499 -4.902  -45.039 1.00 65.65  ? 25  ARG A NE  1 
ATOM   197  C  CZ  . ARG A 1 24  ? -36.469 -5.624  -43.924 1.00 75.29  ? 25  ARG A CZ  1 
ATOM   198  N  NH1 . ARG A 1 24  ? -36.962 -6.858  -43.881 1.00 67.53  ? 25  ARG A NH1 1 
ATOM   199  N  NH2 . ARG A 1 24  ? -35.927 -5.097  -42.827 1.00 69.44  ? 25  ARG A NH2 1 
ATOM   200  N  N   . ALA A 1 25  ? -33.367 -6.256  -49.777 1.00 41.71  ? 26  ALA A N   1 
ATOM   201  C  CA  . ALA A 1 25  ? -31.932 -6.305  -49.533 1.00 41.90  ? 26  ALA A CA  1 
ATOM   202  C  C   . ALA A 1 25  ? -31.222 -5.233  -50.345 1.00 48.04  ? 26  ALA A C   1 
ATOM   203  O  O   . ALA A 1 25  ? -30.342 -4.532  -49.829 1.00 51.07  ? 26  ALA A O   1 
ATOM   204  C  CB  . ALA A 1 25  ? -31.365 -7.692  -49.859 1.00 42.86  ? 26  ALA A CB  1 
ATOM   205  N  N   . SER A 1 26  ? -31.594 -5.088  -51.621 1.00 45.46  ? 27  SER A N   1 
ATOM   206  C  CA  . SER A 1 26  ? -30.986 -4.052  -52.444 1.00 47.89  ? 27  SER A CA  1 
ATOM   207  C  C   . SER A 1 26  ? -31.202 -2.676  -51.837 1.00 46.23  ? 27  SER A C   1 
ATOM   208  O  O   . SER A 1 26  ? -30.326 -1.810  -51.915 1.00 45.40  ? 27  SER A O   1 
ATOM   209  C  CB  . SER A 1 26  ? -31.554 -4.094  -53.852 1.00 47.34  ? 27  SER A CB  1 
ATOM   210  O  OG  . SER A 1 26  ? -31.241 -2.887  -54.519 1.00 48.07  ? 27  SER A OG  1 
ATOM   211  N  N   . TYR A 1 27  ? -32.373 -2.460  -51.237 1.00 48.98  ? 28  TYR A N   1 
ATOM   212  C  CA  . TYR A 1 27  ? -32.637 -1.238  -50.482 1.00 44.01  ? 28  TYR A CA  1 
ATOM   213  C  C   . TYR A 1 27  ? -31.701 -1.114  -49.284 1.00 37.71  ? 28  TYR A C   1 
ATOM   214  O  O   . TYR A 1 27  ? -31.220 -0.024  -48.975 1.00 40.46  ? 28  TYR A O   1 
ATOM   215  C  CB  . TYR A 1 27  ? -34.093 -1.244  -50.030 1.00 39.61  ? 28  TYR A CB  1 
ATOM   216  C  CG  . TYR A 1 27  ? -34.691 0.099   -49.677 1.00 47.01  ? 28  TYR A CG  1 
ATOM   217  C  CD1 . TYR A 1 27  ? -34.058 1.282   -50.016 1.00 48.41  ? 28  TYR A CD1 1 
ATOM   218  C  CD2 . TYR A 1 27  ? -35.912 0.177   -49.006 1.00 43.79  ? 28  TYR A CD2 1 
ATOM   219  C  CE1 . TYR A 1 27  ? -34.627 2.511   -49.699 1.00 49.59  ? 28  TYR A CE1 1 
ATOM   220  C  CE2 . TYR A 1 27  ? -36.481 1.384   -48.684 1.00 45.57  ? 28  TYR A CE2 1 
ATOM   221  C  CZ  . TYR A 1 27  ? -35.836 2.558   -49.031 1.00 50.04  ? 28  TYR A CZ  1 
ATOM   222  O  OH  . TYR A 1 27  ? -36.400 3.783   -48.705 1.00 46.95  ? 28  TYR A OH  1 
ATOM   223  N  N   . THR A 1 28  ? -31.440 -2.219  -48.588 1.00 43.01  ? 29  THR A N   1 
ATOM   224  C  CA  . THR A 1 28  ? -30.586 -2.163  -47.408 1.00 43.41  ? 29  THR A CA  1 
ATOM   225  C  C   . THR A 1 28  ? -29.167 -1.780  -47.796 1.00 44.31  ? 29  THR A C   1 
ATOM   226  O  O   . THR A 1 28  ? -28.555 -0.899  -47.175 1.00 40.52  ? 29  THR A O   1 
ATOM   227  C  CB  . THR A 1 28  ? -30.609 -3.511  -46.682 1.00 39.05  ? 29  THR A CB  1 
ATOM   228  O  OG1 . THR A 1 28  ? -31.853 -3.659  -45.990 1.00 42.47  ? 29  THR A OG1 1 
ATOM   229  C  CG2 . THR A 1 28  ? -29.460 -3.623  -45.688 1.00 34.82  ? 29  THR A CG2 1 
ATOM   230  N  N   . TYR A 1 29  ? -28.647 -2.420  -48.847 1.00 41.07  ? 30  TYR A N   1 
ATOM   231  C  CA  . TYR A 1 29  ? -27.311 -2.116  -49.337 1.00 41.79  ? 30  TYR A CA  1 
ATOM   232  C  C   . TYR A 1 29  ? -27.196 -0.672  -49.793 1.00 43.43  ? 30  TYR A C   1 
ATOM   233  O  O   . TYR A 1 29  ? -26.138 -0.054  -49.629 1.00 43.16  ? 30  TYR A O   1 
ATOM   234  C  CB  . TYR A 1 29  ? -26.949 -3.077  -50.460 1.00 39.59  ? 30  TYR A CB  1 
ATOM   235  C  CG  . TYR A 1 29  ? -26.601 -4.412  -49.882 1.00 48.91  ? 30  TYR A CG  1 
ATOM   236  C  CD1 . TYR A 1 29  ? -25.864 -4.490  -48.705 1.00 48.21  ? 30  TYR A CD1 1 
ATOM   237  C  CD2 . TYR A 1 29  ? -27.055 -5.595  -50.456 1.00 51.86  ? 30  TYR A CD2 1 
ATOM   238  C  CE1 . TYR A 1 29  ? -25.556 -5.695  -48.136 1.00 45.41  ? 30  TYR A CE1 1 
ATOM   239  C  CE2 . TYR A 1 29  ? -26.744 -6.819  -49.883 1.00 46.40  ? 30  TYR A CE2 1 
ATOM   240  C  CZ  . TYR A 1 29  ? -25.993 -6.854  -48.721 1.00 43.20  ? 30  TYR A CZ  1 
ATOM   241  O  OH  . TYR A 1 29  ? -25.672 -8.052  -48.130 1.00 48.96  ? 30  TYR A OH  1 
ATOM   242  N  N   . LEU A 1 30  ? -28.274 -0.121  -50.361 1.00 41.03  ? 31  LEU A N   1 
ATOM   243  C  CA  . LEU A 1 30  ? -28.299 1.299   -50.695 1.00 41.24  ? 31  LEU A CA  1 
ATOM   244  C  C   . LEU A 1 30  ? -28.091 2.156   -49.448 1.00 42.52  ? 31  LEU A C   1 
ATOM   245  O  O   . LEU A 1 30  ? -27.261 3.079   -49.439 1.00 39.06  ? 31  LEU A O   1 
ATOM   246  C  CB  . LEU A 1 30  ? -29.616 1.647   -51.394 1.00 40.15  ? 31  LEU A CB  1 
ATOM   247  C  CG  . LEU A 1 30  ? -29.613 3.006   -52.109 1.00 44.89  ? 31  LEU A CG  1 
ATOM   248  C  CD1 . LEU A 1 30  ? -28.857 2.925   -53.409 1.00 43.66  ? 31  LEU A CD1 1 
ATOM   249  C  CD2 . LEU A 1 30  ? -31.014 3.563   -52.353 1.00 38.23  ? 31  LEU A CD2 1 
ATOM   250  N  N   . SER A 1 31  ? -28.818 1.846   -48.370 1.00 45.41  ? 32  SER A N   1 
ATOM   251  C  CA  . SER A 1 31  ? -28.629 2.563   -47.113 1.00 39.97  ? 32  SER A CA  1 
ATOM   252  C  C   . SER A 1 31  ? -27.206 2.393   -46.609 1.00 41.30  ? 32  SER A C   1 
ATOM   253  O  O   . SER A 1 31  ? -26.501 3.380   -46.377 1.00 47.37  ? 32  SER A O   1 
ATOM   254  C  CB  . SER A 1 31  ? -29.636 2.078   -46.072 1.00 41.42  ? 32  SER A CB  1 
ATOM   255  O  OG  . SER A 1 31  ? -29.403 2.665   -44.799 1.00 44.47  ? 32  SER A OG  1 
ATOM   256  N  N   . LEU A 1 32  ? -26.759 1.138   -46.470 1.00 44.74  ? 33  LEU A N   1 
ATOM   257  C  CA  . LEU A 1 32  ? -25.405 0.837   -45.994 1.00 45.31  ? 33  LEU A CA  1 
ATOM   258  C  C   . LEU A 1 32  ? -24.340 1.638   -46.735 1.00 42.92  ? 33  LEU A C   1 
ATOM   259  O  O   . LEU A 1 32  ? -23.492 2.284   -46.116 1.00 42.15  ? 33  LEU A O   1 
ATOM   260  C  CB  . LEU A 1 32  ? -25.124 -0.656  -46.147 1.00 39.77  ? 33  LEU A CB  1 
ATOM   261  C  CG  . LEU A 1 32  ? -25.502 -1.505  -44.947 1.00 37.50  ? 33  LEU A CG  1 
ATOM   262  C  CD1 . LEU A 1 32  ? -25.616 -2.942  -45.362 1.00 38.97  ? 33  LEU A CD1 1 
ATOM   263  C  CD2 . LEU A 1 32  ? -24.445 -1.328  -43.898 1.00 42.92  ? 33  LEU A CD2 1 
ATOM   264  N  N   . GLY A 1 33  ? -24.368 1.601   -48.066 1.00 42.84  ? 34  GLY A N   1 
ATOM   265  C  CA  . GLY A 1 33  ? -23.337 2.282   -48.831 1.00 46.71  ? 34  GLY A CA  1 
ATOM   266  C  C   . GLY A 1 33  ? -23.356 3.790   -48.651 1.00 48.77  ? 34  GLY A C   1 
ATOM   267  O  O   . GLY A 1 33  ? -22.306 4.429   -48.523 1.00 47.21  ? 34  GLY A O   1 
ATOM   268  N  N   . PHE A 1 34  ? -24.545 4.387   -48.634 1.00 47.81  ? 35  PHE A N   1 
ATOM   269  C  CA  . PHE A 1 34  ? -24.558 5.835   -48.484 1.00 48.33  ? 35  PHE A CA  1 
ATOM   270  C  C   . PHE A 1 34  ? -24.241 6.285   -47.067 1.00 47.21  ? 35  PHE A C   1 
ATOM   271  O  O   . PHE A 1 34  ? -23.909 7.460   -46.866 1.00 41.22  ? 35  PHE A O   1 
ATOM   272  C  CB  . PHE A 1 34  ? -25.894 6.391   -48.950 1.00 42.97  ? 35  PHE A CB  1 
ATOM   273  C  CG  . PHE A 1 34  ? -25.888 6.728   -50.393 1.00 50.67  ? 35  PHE A CG  1 
ATOM   274  C  CD1 . PHE A 1 34  ? -25.089 7.760   -50.861 1.00 51.84  ? 35  PHE A CD1 1 
ATOM   275  C  CD2 . PHE A 1 34  ? -26.607 5.973   -51.299 1.00 52.23  ? 35  PHE A CD2 1 
ATOM   276  C  CE1 . PHE A 1 34  ? -25.044 8.058   -52.202 1.00 53.82  ? 35  PHE A CE1 1 
ATOM   277  C  CE2 . PHE A 1 34  ? -26.569 6.268   -52.636 1.00 54.41  ? 35  PHE A CE2 1 
ATOM   278  C  CZ  . PHE A 1 34  ? -25.785 7.310   -53.094 1.00 51.55  ? 35  PHE A CZ  1 
ATOM   279  N  N   . TYR A 1 35  ? -24.310 5.379   -46.092 1.00 44.44  ? 36  TYR A N   1 
ATOM   280  C  CA  . TYR A 1 35  ? -23.941 5.743   -44.733 1.00 42.24  ? 36  TYR A CA  1 
ATOM   281  C  C   . TYR A 1 35  ? -22.432 5.883   -44.601 1.00 46.80  ? 36  TYR A C   1 
ATOM   282  O  O   . TYR A 1 35  ? -21.939 6.814   -43.953 1.00 50.17  ? 36  TYR A O   1 
ATOM   283  C  CB  . TYR A 1 35  ? -24.486 4.701   -43.768 1.00 44.90  ? 36  TYR A CB  1 
ATOM   284  C  CG  . TYR A 1 35  ? -23.765 4.661   -42.457 1.00 47.72  ? 36  TYR A CG  1 
ATOM   285  C  CD1 . TYR A 1 35  ? -24.169 5.465   -41.403 1.00 51.35  ? 36  TYR A CD1 1 
ATOM   286  C  CD2 . TYR A 1 35  ? -22.681 3.812   -42.270 1.00 49.39  ? 36  TYR A CD2 1 
ATOM   287  C  CE1 . TYR A 1 35  ? -23.514 5.430   -40.191 1.00 51.73  ? 36  TYR A CE1 1 
ATOM   288  C  CE2 . TYR A 1 35  ? -22.019 3.769   -41.075 1.00 50.37  ? 36  TYR A CE2 1 
ATOM   289  C  CZ  . TYR A 1 35  ? -22.439 4.577   -40.039 1.00 52.23  ? 36  TYR A CZ  1 
ATOM   290  O  OH  . TYR A 1 35  ? -21.768 4.519   -38.852 1.00 51.66  ? 36  TYR A OH  1 
ATOM   291  N  N   . PHE A 1 36  ? -21.683 4.967   -45.215 1.00 46.86  ? 37  PHE A N   1 
ATOM   292  C  CA  . PHE A 1 36  ? -20.232 5.058   -45.193 1.00 46.61  ? 37  PHE A CA  1 
ATOM   293  C  C   . PHE A 1 36  ? -19.701 6.215   -46.030 1.00 44.78  ? 37  PHE A C   1 
ATOM   294  O  O   . PHE A 1 36  ? -18.533 6.593   -45.865 1.00 41.16  ? 37  PHE A O   1 
ATOM   295  C  CB  . PHE A 1 36  ? -19.635 3.723   -45.642 1.00 44.64  ? 37  PHE A CB  1 
ATOM   296  C  CG  . PHE A 1 36  ? -19.780 2.651   -44.614 1.00 40.61  ? 37  PHE A CG  1 
ATOM   297  C  CD1 . PHE A 1 36  ? -18.870 2.535   -43.592 1.00 46.06  ? 37  PHE A CD1 1 
ATOM   298  C  CD2 . PHE A 1 36  ? -20.853 1.791   -44.635 1.00 48.57  ? 37  PHE A CD2 1 
ATOM   299  C  CE1 . PHE A 1 36  ? -19.013 1.568   -42.617 1.00 46.00  ? 37  PHE A CE1 1 
ATOM   300  C  CE2 . PHE A 1 36  ? -21.003 0.816   -43.664 1.00 48.29  ? 37  PHE A CE2 1 
ATOM   301  C  CZ  . PHE A 1 36  ? -20.080 0.709   -42.655 1.00 48.80  ? 37  PHE A CZ  1 
ATOM   302  N  N   . ASP A 1 37  ? -20.523 6.788   -46.904 1.00 41.62  ? 38  ASP A N   1 
ATOM   303  C  CA  . ASP A 1 37  ? -20.164 7.999   -47.627 1.00 46.22  ? 38  ASP A CA  1 
ATOM   304  C  C   . ASP A 1 37  ? -20.289 9.257   -46.755 1.00 47.78  ? 38  ASP A C   1 
ATOM   305  O  O   . ASP A 1 37  ? -19.949 10.363  -47.211 1.00 40.88  ? 38  ASP A O   1 
ATOM   306  C  CB  . ASP A 1 37  ? -21.034 8.086   -48.891 1.00 49.38  ? 38  ASP A CB  1 
ATOM   307  C  CG  . ASP A 1 37  ? -20.719 9.305   -49.760 1.00 52.98  ? 38  ASP A CG  1 
ATOM   308  O  OD1 . ASP A 1 37  ? -19.562 9.777   -49.748 1.00 56.11  ? 38  ASP A OD1 1 
ATOM   309  O  OD2 . ASP A 1 37  ? -21.640 9.800   -50.454 1.00 55.34  ? 38  ASP A OD2 1 
ATOM   310  N  N   . ARG A 1 38  ? -20.743 9.114   -45.508 1.00 47.66  ? 39  ARG A N   1 
ATOM   311  C  CA  . ARG A 1 38  ? -20.884 10.269  -44.627 1.00 46.01  ? 39  ARG A CA  1 
ATOM   312  C  C   . ARG A 1 38  ? -19.522 10.842  -44.241 1.00 44.46  ? 39  ARG A C   1 
ATOM   313  O  O   . ARG A 1 38  ? -18.564 10.102  -43.996 1.00 44.53  ? 39  ARG A O   1 
ATOM   314  C  CB  . ARG A 1 38  ? -21.669 9.887   -43.379 1.00 47.22  ? 39  ARG A CB  1 
ATOM   315  C  CG  . ARG A 1 38  ? -23.152 9.837   -43.620 1.00 48.82  ? 39  ARG A CG  1 
ATOM   316  C  CD  . ARG A 1 38  ? -23.891 9.104   -42.519 1.00 50.51  ? 39  ARG A CD  1 
ATOM   317  N  NE  . ARG A 1 38  ? -23.557 9.555   -41.176 1.00 55.75  ? 39  ARG A NE  1 
ATOM   318  C  CZ  . ARG A 1 38  ? -24.350 9.383   -40.127 1.00 60.81  ? 39  ARG A CZ  1 
ATOM   319  N  NH1 . ARG A 1 38  ? -25.536 8.801   -40.246 1.00 63.16  ? 39  ARG A NH1 1 
ATOM   320  N  NH2 . ARG A 1 38  ? -23.946 9.802   -38.929 1.00 55.34  ? 39  ARG A NH2 1 
ATOM   321  N  N   . ASP A 1 39  ? -19.443 12.178  -44.201 1.00 47.16  ? 40  ASP A N   1 
ATOM   322  C  CA  . ASP A 1 39  ? -18.194 12.856  -43.855 1.00 46.56  ? 40  ASP A CA  1 
ATOM   323  C  C   . ASP A 1 39  ? -17.715 12.443  -42.472 1.00 43.90  ? 40  ASP A C   1 
ATOM   324  O  O   . ASP A 1 39  ? -16.503 12.372  -42.234 1.00 40.02  ? 40  ASP A O   1 
ATOM   325  C  CB  . ASP A 1 39  ? -18.357 14.388  -43.931 1.00 43.11  ? 40  ASP A CB  1 
ATOM   326  C  CG  . ASP A 1 39  ? -18.845 15.011  -42.607 1.00 51.46  ? 40  ASP A CG  1 
ATOM   327  O  OD1 . ASP A 1 39  ? -18.005 15.329  -41.740 1.00 58.85  ? 40  ASP A OD1 1 
ATOM   328  O  OD2 . ASP A 1 39  ? -20.063 15.202  -42.416 1.00 56.96  ? 40  ASP A OD2 1 
ATOM   329  N  N   . ASP A 1 40  ? -18.641 12.148  -41.555 1.00 42.48  ? 41  ASP A N   1 
ATOM   330  C  CA  . ASP A 1 40  ? -18.240 11.631  -40.254 1.00 42.61  ? 41  ASP A CA  1 
ATOM   331  C  C   . ASP A 1 40  ? -17.981 10.126  -40.260 1.00 44.43  ? 41  ASP A C   1 
ATOM   332  O  O   . ASP A 1 40  ? -17.683 9.574   -39.196 1.00 49.16  ? 41  ASP A O   1 
ATOM   333  C  CB  . ASP A 1 40  ? -19.276 11.984  -39.172 1.00 38.82  ? 41  ASP A CB  1 
ATOM   334  C  CG  . ASP A 1 40  ? -20.657 11.463  -39.471 1.00 48.33  ? 41  ASP A CG  1 
ATOM   335  O  OD1 . ASP A 1 40  ? -20.966 11.214  -40.652 1.00 55.27  ? 41  ASP A OD1 1 
ATOM   336  O  OD2 . ASP A 1 40  ? -21.451 11.317  -38.514 1.00 52.56  ? 41  ASP A OD2 1 
ATOM   337  N  N   . VAL A 1 41  ? -18.061 9.456   -41.414 1.00 38.72  ? 42  VAL A N   1 
ATOM   338  C  CA  . VAL A 1 41  ? -17.746 8.032   -41.502 1.00 41.76  ? 42  VAL A CA  1 
ATOM   339  C  C   . VAL A 1 41  ? -16.599 7.845   -42.481 1.00 43.10  ? 42  VAL A C   1 
ATOM   340  O  O   . VAL A 1 41  ? -15.570 7.253   -42.137 1.00 40.48  ? 42  VAL A O   1 
ATOM   341  C  CB  . VAL A 1 41  ? -18.962 7.193   -41.931 1.00 45.23  ? 42  VAL A CB  1 
ATOM   342  C  CG1 . VAL A 1 41  ? -18.537 5.742   -42.130 1.00 35.18  ? 42  VAL A CG1 1 
ATOM   343  C  CG2 . VAL A 1 41  ? -20.088 7.320   -40.911 1.00 41.06  ? 42  VAL A CG2 1 
ATOM   344  N  N   . ALA A 1 42  ? -16.804 8.309   -43.720 1.00 45.67  ? 43  ALA A N   1 
ATOM   345  C  CA  . ALA A 1 42  ? -15.743 8.551   -44.707 1.00 43.40  ? 43  ALA A CA  1 
ATOM   346  C  C   . ALA A 1 42  ? -14.888 7.308   -44.983 1.00 41.48  ? 43  ALA A C   1 
ATOM   347  O  O   . ALA A 1 42  ? -13.668 7.322   -44.831 1.00 50.31  ? 43  ALA A O   1 
ATOM   348  C  CB  . ALA A 1 42  ? -14.866 9.723   -44.258 1.00 42.58  ? 43  ALA A CB  1 
ATOM   349  N  N   . LEU A 1 43  ? -15.540 6.221   -45.409 1.00 43.10  ? 44  LEU A N   1 
ATOM   350  C  CA  . LEU A 1 43  ? -14.832 4.989   -45.783 1.00 41.20  ? 44  LEU A CA  1 
ATOM   351  C  C   . LEU A 1 43  ? -15.244 4.621   -47.206 1.00 45.92  ? 44  LEU A C   1 
ATOM   352  O  O   . LEU A 1 43  ? -16.042 3.695   -47.398 1.00 45.34  ? 44  LEU A O   1 
ATOM   353  C  CB  . LEU A 1 43  ? -15.116 3.877   -44.805 1.00 44.04  ? 44  LEU A CB  1 
ATOM   354  C  CG  . LEU A 1 43  ? -14.410 4.096   -43.473 1.00 44.89  ? 44  LEU A CG  1 
ATOM   355  C  CD1 . LEU A 1 43  ? -15.076 3.275   -42.384 1.00 43.43  ? 44  LEU A CD1 1 
ATOM   356  C  CD2 . LEU A 1 43  ? -12.937 3.772   -43.596 1.00 43.58  ? 44  LEU A CD2 1 
ATOM   357  N  N   . GLU A 1 44  ? -14.695 5.373   -48.179 1.00 48.35  ? 45  GLU A N   1 
ATOM   358  C  CA  . GLU A 1 44  ? -14.865 5.193   -49.623 1.00 47.28  ? 45  GLU A CA  1 
ATOM   359  C  C   . GLU A 1 44  ? -15.025 3.727   -49.997 1.00 47.36  ? 45  GLU A C   1 
ATOM   360  O  O   . GLU A 1 44  ? -15.998 3.341   -50.652 1.00 43.67  ? 45  GLU A O   1 
ATOM   361  C  CB  . GLU A 1 44  ? -13.647 5.736   -50.392 1.00 57.62  ? 45  GLU A CB  1 
ATOM   362  C  CG  . GLU A 1 44  ? -13.633 7.212   -50.817 1.00 77.59  ? 45  GLU A CG  1 
ATOM   363  C  CD  . GLU A 1 44  ? -15.011 7.815   -51.057 1.00 99.66  ? 45  GLU A CD  1 
ATOM   364  O  OE1 . GLU A 1 44  ? -15.307 8.907   -50.494 1.00 96.71  ? 45  GLU A OE1 1 
ATOM   365  O  OE2 . GLU A 1 44  ? -15.783 7.211   -51.835 1.00 98.56  ? 45  GLU A OE2 1 
ATOM   366  N  N   . GLY A 1 45  ? -14.048 2.913   -49.590 1.00 49.12  ? 46  GLY A N   1 
ATOM   367  C  CA  . GLY A 1 45  ? -14.034 1.523   -50.002 1.00 44.64  ? 46  GLY A CA  1 
ATOM   368  C  C   . GLY A 1 45  ? -15.251 0.764   -49.519 1.00 47.12  ? 46  GLY A C   1 
ATOM   369  O  O   . GLY A 1 45  ? -15.835 -0.025  -50.269 1.00 42.21  ? 46  GLY A O   1 
ATOM   370  N  N   . VAL A 1 46  ? -15.655 0.994   -48.264 1.00 44.28  ? 47  VAL A N   1 
ATOM   371  C  CA  . VAL A 1 46  ? -16.808 0.274   -47.740 1.00 43.20  ? 47  VAL A CA  1 
ATOM   372  C  C   . VAL A 1 46  ? -18.072 0.713   -48.473 1.00 47.92  ? 47  VAL A C   1 
ATOM   373  O  O   . VAL A 1 46  ? -18.939 -0.114  -48.791 1.00 44.13  ? 47  VAL A O   1 
ATOM   374  C  CB  . VAL A 1 46  ? -16.915 0.461   -46.214 1.00 42.88  ? 47  VAL A CB  1 
ATOM   375  C  CG1 . VAL A 1 46  ? -18.110 -0.297  -45.663 1.00 39.51  ? 47  VAL A CG1 1 
ATOM   376  C  CG2 . VAL A 1 46  ? -15.639 -0.000  -45.523 1.00 33.11  ? 47  VAL A CG2 1 
ATOM   377  N  N   . CYS A 1 47  ? -18.170 2.004   -48.810 1.00 46.27  ? 48  CYS A N   1 
ATOM   378  C  CA  . CYS A 1 47  ? -19.346 2.488   -49.526 1.00 45.14  ? 48  CYS A CA  1 
ATOM   379  C  C   . CYS A 1 47  ? -19.497 1.810   -50.890 1.00 45.52  ? 48  CYS A C   1 
ATOM   380  O  O   . CYS A 1 47  ? -20.599 1.392   -51.262 1.00 41.96  ? 48  CYS A O   1 
ATOM   381  C  CB  . CYS A 1 47  ? -19.289 4.008   -49.687 1.00 47.95  ? 48  CYS A CB  1 
ATOM   382  S  SG  . CYS A 1 47  ? -20.314 4.616   -51.099 1.00 53.96  ? 48  CYS A SG  1 
ATOM   383  N  N   . HIS A 1 48  ? -18.408 1.715   -51.665 1.00 46.65  ? 49  HIS A N   1 
ATOM   384  C  CA  . HIS A 1 48  ? -18.486 1.097   -52.995 1.00 50.61  ? 49  HIS A CA  1 
ATOM   385  C  C   . HIS A 1 48  ? -18.828 -0.388  -52.898 1.00 50.30  ? 49  HIS A C   1 
ATOM   386  O  O   . HIS A 1 48  ? -19.573 -0.919  -53.730 1.00 47.40  ? 49  HIS A O   1 
ATOM   387  C  CB  . HIS A 1 48  ? -17.167 1.312   -53.754 1.00 53.97  ? 49  HIS A CB  1 
ATOM   388  C  CG  . HIS A 1 48  ? -17.276 1.176   -55.248 1.00 79.33  ? 49  HIS A CG  1 
ATOM   389  N  ND1 . HIS A 1 48  ? -17.183 2.257   -56.103 1.00 93.16  ? 49  HIS A ND1 1 
ATOM   390  C  CD2 . HIS A 1 48  ? -17.394 0.081   -56.044 1.00 80.81  ? 49  HIS A CD2 1 
ATOM   391  C  CE1 . HIS A 1 48  ? -17.288 1.841   -57.356 1.00 93.36  ? 49  HIS A CE1 1 
ATOM   392  N  NE2 . HIS A 1 48  ? -17.412 0.524   -57.348 1.00 86.34  ? 49  HIS A NE2 1 
ATOM   393  N  N   . PHE A 1 49  ? -18.309 -1.067  -51.876 1.00 45.39  ? 50  PHE A N   1 
ATOM   394  C  CA  . PHE A 1 49  ? -18.701 -2.447  -51.619 1.00 45.62  ? 50  PHE A CA  1 
ATOM   395  C  C   . PHE A 1 49  ? -20.216 -2.583  -51.526 1.00 46.19  ? 50  PHE A C   1 
ATOM   396  O  O   . PHE A 1 49  ? -20.824 -3.378  -52.244 1.00 49.70  ? 50  PHE A O   1 
ATOM   397  C  CB  . PHE A 1 49  ? -18.040 -2.944  -50.335 1.00 41.84  ? 50  PHE A CB  1 
ATOM   398  C  CG  . PHE A 1 49  ? -18.216 -4.414  -50.086 1.00 46.70  ? 50  PHE A CG  1 
ATOM   399  C  CD1 . PHE A 1 49  ? -17.732 -5.352  -50.999 1.00 50.63  ? 50  PHE A CD1 1 
ATOM   400  C  CD2 . PHE A 1 49  ? -18.847 -4.867  -48.927 1.00 45.77  ? 50  PHE A CD2 1 
ATOM   401  C  CE1 . PHE A 1 49  ? -17.870 -6.723  -50.762 1.00 48.25  ? 50  PHE A CE1 1 
ATOM   402  C  CE2 . PHE A 1 49  ? -18.991 -6.227  -48.682 1.00 46.56  ? 50  PHE A CE2 1 
ATOM   403  C  CZ  . PHE A 1 49  ? -18.504 -7.158  -49.601 1.00 46.70  ? 50  PHE A CZ  1 
ATOM   404  N  N   . PHE A 1 50  ? -20.850 -1.809  -50.645 1.00 43.81  ? 51  PHE A N   1 
ATOM   405  C  CA  . PHE A 1 50  ? -22.269 -2.040  -50.430 1.00 41.09  ? 51  PHE A CA  1 
ATOM   406  C  C   . PHE A 1 50  ? -23.109 -1.523  -51.586 1.00 44.40  ? 51  PHE A C   1 
ATOM   407  O  O   . PHE A 1 50  ? -24.196 -2.050  -51.835 1.00 47.23  ? 51  PHE A O   1 
ATOM   408  C  CB  . PHE A 1 50  ? -22.695 -1.438  -49.094 1.00 38.83  ? 51  PHE A CB  1 
ATOM   409  C  CG  . PHE A 1 50  ? -22.199 -2.229  -47.902 1.00 47.10  ? 51  PHE A CG  1 
ATOM   410  C  CD1 . PHE A 1 50  ? -22.349 -3.612  -47.856 1.00 48.14  ? 51  PHE A CD1 1 
ATOM   411  C  CD2 . PHE A 1 50  ? -21.561 -1.603  -46.841 1.00 47.39  ? 51  PHE A CD2 1 
ATOM   412  C  CE1 . PHE A 1 50  ? -21.885 -4.349  -46.772 1.00 44.64  ? 51  PHE A CE1 1 
ATOM   413  C  CE2 . PHE A 1 50  ? -21.091 -2.343  -45.753 1.00 43.89  ? 51  PHE A CE2 1 
ATOM   414  C  CZ  . PHE A 1 50  ? -21.254 -3.714  -45.726 1.00 41.70  ? 51  PHE A CZ  1 
ATOM   415  N  N   . ARG A 1 51  ? -22.620 -0.546  -52.338 1.00 44.79  ? 52  ARG A N   1 
ATOM   416  C  CA  . ARG A 1 51  ? -23.425 -0.055  -53.446 1.00 48.32  ? 52  ARG A CA  1 
ATOM   417  C  C   . ARG A 1 51  ? -23.470 -1.076  -54.571 1.00 50.05  ? 52  ARG A C   1 
ATOM   418  O  O   . ARG A 1 51  ? -24.520 -1.263  -55.198 1.00 52.80  ? 52  ARG A O   1 
ATOM   419  C  CB  . ARG A 1 51  ? -22.902 1.293   -53.935 1.00 49.94  ? 52  ARG A CB  1 
ATOM   420  C  CG  . ARG A 1 51  ? -23.014 2.354   -52.847 1.00 58.25  ? 52  ARG A CG  1 
ATOM   421  C  CD  . ARG A 1 51  ? -24.104 3.367   -53.093 1.00 58.88  ? 52  ARG A CD  1 
ATOM   422  N  NE  . ARG A 1 51  ? -24.258 3.683   -54.505 1.00 68.99  ? 52  ARG A NE  1 
ATOM   423  C  CZ  . ARG A 1 51  ? -23.574 4.631   -55.131 1.00 76.53  ? 52  ARG A CZ  1 
ATOM   424  N  NH1 . ARG A 1 51  ? -22.619 5.314   -54.516 1.00 70.04  ? 52  ARG A NH1 1 
ATOM   425  N  NH2 . ARG A 1 51  ? -23.861 4.907   -56.403 1.00 78.03  ? 52  ARG A NH2 1 
ATOM   426  N  N   . GLU A 1 52  ? -22.361 -1.784  -54.809 1.00 46.73  ? 53  GLU A N   1 
ATOM   427  C  CA  . GLU A 1 52  ? -22.391 -2.829  -55.828 1.00 50.54  ? 53  GLU A CA  1 
ATOM   428  C  C   . GLU A 1 52  ? -23.248 -4.018  -55.385 1.00 51.66  ? 53  GLU A C   1 
ATOM   429  O  O   . GLU A 1 52  ? -23.939 -4.625  -56.213 1.00 52.11  ? 53  GLU A O   1 
ATOM   430  C  CB  . GLU A 1 52  ? -20.967 -3.274  -56.193 1.00 52.22  ? 53  GLU A CB  1 
ATOM   431  C  CG  . GLU A 1 52  ? -20.256 -2.328  -57.223 1.00 71.08  ? 53  GLU A CG  1 
ATOM   432  C  CD  . GLU A 1 52  ? -20.229 -2.819  -58.701 1.00 91.42  ? 53  GLU A CD  1 
ATOM   433  O  OE1 . GLU A 1 52  ? -19.153 -3.289  -59.153 1.00 98.54  ? 53  GLU A OE1 1 
ATOM   434  O  OE2 . GLU A 1 52  ? -21.247 -2.660  -59.433 1.00 77.81  ? 53  GLU A OE2 1 
ATOM   435  N  N   . LEU A 1 53  ? -23.254 -4.348  -54.090 1.00 43.84  ? 54  LEU A N   1 
ATOM   436  C  CA  . LEU A 1 53  ? -24.224 -5.319  -53.606 1.00 40.18  ? 54  LEU A CA  1 
ATOM   437  C  C   . LEU A 1 53  ? -25.647 -4.842  -53.845 1.00 43.41  ? 54  LEU A C   1 
ATOM   438  O  O   . LEU A 1 53  ? -26.525 -5.646  -54.166 1.00 46.58  ? 54  LEU A O   1 
ATOM   439  C  CB  . LEU A 1 53  ? -24.017 -5.608  -52.123 1.00 46.10  ? 54  LEU A CB  1 
ATOM   440  C  CG  . LEU A 1 53  ? -23.189 -6.821  -51.716 1.00 47.96  ? 54  LEU A CG  1 
ATOM   441  C  CD1 . LEU A 1 53  ? -22.013 -7.024  -52.643 1.00 49.22  ? 54  LEU A CD1 1 
ATOM   442  C  CD2 . LEU A 1 53  ? -22.730 -6.663  -50.282 1.00 45.18  ? 54  LEU A CD2 1 
ATOM   443  N  N   . ALA A 1 54  ? -25.904 -3.541  -53.691 1.00 46.60  ? 55  ALA A N   1 
ATOM   444  C  CA  . ALA A 1 54  ? -27.256 -3.048  -53.941 1.00 47.33  ? 55  ALA A CA  1 
ATOM   445  C  C   . ALA A 1 54  ? -27.661 -3.306  -55.387 1.00 47.37  ? 55  ALA A C   1 
ATOM   446  O  O   . ALA A 1 54  ? -28.736 -3.849  -55.653 1.00 44.53  ? 55  ALA A O   1 
ATOM   447  C  CB  . ALA A 1 54  ? -27.366 -1.567  -53.589 1.00 42.25  ? 55  ALA A CB  1 
ATOM   448  N  N   . GLU A 1 55  ? -26.787 -2.967  -56.335 1.00 47.27  ? 56  GLU A N   1 
ATOM   449  C  CA  . GLU A 1 55  ? -27.068 -3.257  -57.738 1.00 52.22  ? 56  GLU A CA  1 
ATOM   450  C  C   . GLU A 1 55  ? -27.264 -4.755  -57.971 1.00 52.73  ? 56  GLU A C   1 
ATOM   451  O  O   . GLU A 1 55  ? -28.249 -5.176  -58.585 1.00 53.13  ? 56  GLU A O   1 
ATOM   452  C  CB  . GLU A 1 55  ? -25.935 -2.728  -58.623 1.00 55.05  ? 56  GLU A CB  1 
ATOM   453  C  CG  . GLU A 1 55  ? -25.526 -1.266  -58.391 1.00 67.71  ? 56  GLU A CG  1 
ATOM   454  C  CD  . GLU A 1 55  ? -26.708 -0.284  -58.241 1.00 86.55  ? 56  GLU A CD  1 
ATOM   455  O  OE1 . GLU A 1 55  ? -27.711 -0.414  -58.994 1.00 80.12  ? 56  GLU A OE1 1 
ATOM   456  O  OE2 . GLU A 1 55  ? -26.617 0.637   -57.378 1.00 85.34  ? 56  GLU A OE2 1 
ATOM   457  N  N   . GLU A 1 56  ? -26.331 -5.577  -57.483 1.00 54.46  ? 57  GLU A N   1 
ATOM   458  C  CA  . GLU A 1 56  ? -26.371 -7.012  -57.755 1.00 55.27  ? 57  GLU A CA  1 
ATOM   459  C  C   . GLU A 1 56  ? -27.682 -7.634  -57.279 1.00 52.80  ? 57  GLU A C   1 
ATOM   460  O  O   . GLU A 1 56  ? -28.277 -8.456  -57.984 1.00 54.10  ? 57  GLU A O   1 
ATOM   461  C  CB  . GLU A 1 56  ? -25.158 -7.690  -57.101 1.00 55.59  ? 57  GLU A CB  1 
ATOM   462  C  CG  . GLU A 1 56  ? -24.422 -8.887  -57.840 1.00 78.25  ? 57  GLU A CG  1 
ATOM   463  C  CD  . GLU A 1 56  ? -24.044 -8.668  -59.327 1.00 93.52  ? 57  GLU A CD  1 
ATOM   464  O  OE1 . GLU A 1 56  ? -23.066 -7.917  -59.587 1.00 94.65  ? 57  GLU A OE1 1 
ATOM   465  O  OE2 . GLU A 1 56  ? -24.639 -9.342  -60.224 1.00 78.40  ? 57  GLU A OE2 1 
ATOM   466  N  N   . LYS A 1 57  ? -28.157 -7.244  -56.092 1.00 48.87  ? 58  LYS A N   1 
ATOM   467  C  CA  . LYS A 1 57  ? -29.422 -7.784  -55.610 1.00 45.73  ? 58  LYS A CA  1 
ATOM   468  C  C   . LYS A 1 57  ? -30.594 -7.213  -56.393 1.00 45.44  ? 58  LYS A C   1 
ATOM   469  O  O   . LYS A 1 57  ? -31.644 -7.850  -56.487 1.00 50.36  ? 58  LYS A O   1 
ATOM   470  C  CB  . LYS A 1 57  ? -29.594 -7.494  -54.120 1.00 44.39  ? 58  LYS A CB  1 
ATOM   471  C  CG  . LYS A 1 57  ? -28.544 -8.091  -53.228 1.00 39.11  ? 58  LYS A CG  1 
ATOM   472  C  CD  . LYS A 1 57  ? -28.643 -9.587  -53.136 1.00 38.00  ? 58  LYS A CD  1 
ATOM   473  C  CE  . LYS A 1 57  ? -27.359 -10.138 -52.550 1.00 39.34  ? 58  LYS A CE  1 
ATOM   474  N  NZ  . LYS A 1 57  ? -27.236 -11.622 -52.640 1.00 45.50  ? 58  LYS A NZ  1 
ATOM   475  N  N   . ARG A 1 58  ? -30.437 -6.020  -56.955 1.00 48.47  ? 59  ARG A N   1 
ATOM   476  C  CA  . ARG A 1 58  ? -31.474 -5.474  -57.819 1.00 49.85  ? 59  ARG A CA  1 
ATOM   477  C  C   . ARG A 1 58  ? -31.547 -6.238  -59.137 1.00 55.76  ? 59  ARG A C   1 
ATOM   478  O  O   . ARG A 1 58  ? -32.635 -6.634  -59.574 1.00 51.78  ? 59  ARG A O   1 
ATOM   479  C  CB  . ARG A 1 58  ? -31.216 -3.996  -58.068 1.00 51.93  ? 59  ARG A CB  1 
ATOM   480  C  CG  . ARG A 1 58  ? -32.459 -3.236  -58.324 1.00 54.77  ? 59  ARG A CG  1 
ATOM   481  C  CD  . ARG A 1 58  ? -32.265 -2.154  -59.323 1.00 62.02  ? 59  ARG A CD  1 
ATOM   482  N  NE  . ARG A 1 58  ? -31.522 -2.620  -60.479 1.00 67.97  ? 59  ARG A NE  1 
ATOM   483  C  CZ  . ARG A 1 58  ? -30.371 -2.097  -60.867 1.00 70.87  ? 59  ARG A CZ  1 
ATOM   484  N  NH1 . ARG A 1 58  ? -29.763 -1.167  -60.144 1.00 67.13  ? 59  ARG A NH1 1 
ATOM   485  N  NH2 . ARG A 1 58  ? -29.816 -2.519  -62.002 1.00 70.91  ? 59  ARG A NH2 1 
ATOM   486  N  N   . GLU A 1 59  ? -30.402 -6.462  -59.792 1.00 55.68  ? 60  GLU A N   1 
ATOM   487  C  CA  . GLU A 1 59  ? -30.429 -7.308  -60.983 1.00 57.07  ? 60  GLU A CA  1 
ATOM   488  C  C   . GLU A 1 59  ? -30.983 -8.690  -60.651 1.00 50.66  ? 60  GLU A C   1 
ATOM   489  O  O   . GLU A 1 59  ? -31.693 -9.293  -61.464 1.00 54.18  ? 60  GLU A O   1 
ATOM   490  C  CB  . GLU A 1 59  ? -29.038 -7.416  -61.633 1.00 56.01  ? 60  GLU A CB  1 
ATOM   491  C  CG  . GLU A 1 59  ? -28.073 -6.263  -61.315 1.00 65.39  ? 60  GLU A CG  1 
ATOM   492  C  CD  . GLU A 1 59  ? -26.661 -6.398  -61.964 1.00 85.66  ? 60  GLU A CD  1 
ATOM   493  O  OE1 . GLU A 1 59  ? -25.949 -7.422  -61.747 1.00 76.65  ? 60  GLU A OE1 1 
ATOM   494  O  OE2 . GLU A 1 59  ? -26.240 -5.439  -62.668 1.00 89.65  ? 60  GLU A OE2 1 
ATOM   495  N  N   . GLY A 1 60  ? -30.694 -9.194  -59.449 1.00 50.81  ? 61  GLY A N   1 
ATOM   496  C  CA  . GLY A 1 60  ? -31.244 -10.475 -59.039 1.00 46.54  ? 61  GLY A CA  1 
ATOM   497  C  C   . GLY A 1 60  ? -32.762 -10.495 -59.059 1.00 47.54  ? 61  GLY A C   1 
ATOM   498  O  O   . GLY A 1 60  ? -33.373 -11.458 -59.529 1.00 44.93  ? 61  GLY A O   1 
ATOM   499  N  N   . ALA A 1 61  ? -33.391 -9.423  -58.569 1.00 44.09  ? 62  ALA A N   1 
ATOM   500  C  CA  . ALA A 1 61  ? -34.850 -9.376  -58.547 1.00 44.15  ? 62  ALA A CA  1 
ATOM   501  C  C   . ALA A 1 61  ? -35.421 -9.208  -59.945 1.00 46.92  ? 62  ALA A C   1 
ATOM   502  O  O   . ALA A 1 61  ? -36.427 -9.839  -60.290 1.00 48.75  ? 62  ALA A O   1 
ATOM   503  C  CB  . ALA A 1 61  ? -35.329 -8.241  -57.646 1.00 46.09  ? 62  ALA A CB  1 
ATOM   504  N  N   . GLU A 1 62  ? -34.812 -8.336  -60.752 1.00 45.06  ? 63  GLU A N   1 
ATOM   505  C  CA  . GLU A 1 62  ? -35.217 -8.218  -62.143 1.00 43.92  ? 63  GLU A CA  1 
ATOM   506  C  C   . GLU A 1 62  ? -35.120 -9.558  -62.861 1.00 47.85  ? 63  GLU A C   1 
ATOM   507  O  O   . GLU A 1 62  ? -35.947 -9.865  -63.728 1.00 51.17  ? 63  GLU A O   1 
ATOM   508  C  CB  . GLU A 1 62  ? -34.366 -7.165  -62.846 1.00 48.05  ? 63  GLU A CB  1 
ATOM   509  C  CG  . GLU A 1 62  ? -34.737 -5.730  -62.474 1.00 49.41  ? 63  GLU A CG  1 
ATOM   510  C  CD  . GLU A 1 62  ? -33.925 -4.678  -63.233 1.00 64.80  ? 63  GLU A CD  1 
ATOM   511  O  OE1 . GLU A 1 62  ? -33.384 -4.983  -64.325 1.00 64.93  ? 63  GLU A OE1 1 
ATOM   512  O  OE2 . GLU A 1 62  ? -33.835 -3.534  -62.735 1.00 73.10  ? 63  GLU A OE2 1 
ATOM   513  N  N   . ARG A 1 63  ? -34.141 -10.384 -62.496 1.00 47.82  ? 64  ARG A N   1 
ATOM   514  C  CA  . ARG A 1 63  ? -34.039 -11.710 -63.095 1.00 44.25  ? 64  ARG A CA  1 
ATOM   515  C  C   . ARG A 1 63  ? -35.230 -12.585 -62.704 1.00 44.17  ? 64  ARG A C   1 
ATOM   516  O  O   . ARG A 1 63  ? -35.846 -13.226 -63.563 1.00 42.29  ? 64  ARG A O   1 
ATOM   517  C  CB  . ARG A 1 63  ? -32.720 -12.353 -62.685 1.00 47.99  ? 64  ARG A CB  1 
ATOM   518  C  CG  . ARG A 1 63  ? -32.028 -13.093 -63.808 1.00 63.82  ? 64  ARG A CG  1 
ATOM   519  C  CD  . ARG A 1 63  ? -30.771 -13.791 -63.299 1.00 74.53  ? 64  ARG A CD  1 
ATOM   520  N  NE  . ARG A 1 63  ? -29.533 -13.285 -63.891 1.00 82.12  ? 64  ARG A NE  1 
ATOM   521  C  CZ  . ARG A 1 63  ? -29.232 -13.331 -65.185 1.00 91.34  ? 64  ARG A CZ  1 
ATOM   522  N  NH1 . ARG A 1 63  ? -30.066 -13.850 -66.076 1.00 89.32  ? 64  ARG A NH1 1 
ATOM   523  N  NH2 . ARG A 1 63  ? -28.058 -12.851 -65.596 1.00 87.67  ? 64  ARG A NH2 1 
ATOM   524  N  N   . LEU A 1 64  ? -35.578 -12.613 -61.412 1.00 39.98  ? 65  LEU A N   1 
ATOM   525  C  CA  . LEU A 1 64  ? -36.769 -13.339 -60.975 1.00 43.27  ? 65  LEU A CA  1 
ATOM   526  C  C   . LEU A 1 64  ? -38.021 -12.845 -61.698 1.00 45.14  ? 65  LEU A C   1 
ATOM   527  O  O   . LEU A 1 64  ? -38.828 -13.644 -62.190 1.00 43.94  ? 65  LEU A O   1 
ATOM   528  C  CB  . LEU A 1 64  ? -36.946 -13.203 -59.463 1.00 40.50  ? 65  LEU A CB  1 
ATOM   529  C  CG  . LEU A 1 64  ? -35.871 -13.844 -58.593 1.00 41.44  ? 65  LEU A CG  1 
ATOM   530  C  CD1 . LEU A 1 64  ? -36.042 -13.429 -57.154 1.00 44.53  ? 65  LEU A CD1 1 
ATOM   531  C  CD2 . LEU A 1 64  ? -35.930 -15.343 -58.707 1.00 44.44  ? 65  LEU A CD2 1 
ATOM   532  N  N   . LEU A 1 65  ? -38.206 -11.523 -61.756 1.00 41.49  ? 66  LEU A N   1 
ATOM   533  C  CA  . LEU A 1 65  ? -39.366 -10.966 -62.438 1.00 41.14  ? 66  LEU A CA  1 
ATOM   534  C  C   . LEU A 1 65  ? -39.417 -11.415 -63.898 1.00 47.25  ? 66  LEU A C   1 
ATOM   535  O  O   . LEU A 1 65  ? -40.495 -11.709 -64.427 1.00 47.43  ? 66  LEU A O   1 
ATOM   536  C  CB  . LEU A 1 65  ? -39.341 -9.437  -62.339 1.00 42.82  ? 66  LEU A CB  1 
ATOM   537  C  CG  . LEU A 1 65  ? -39.859 -8.831  -61.029 1.00 43.04  ? 66  LEU A CG  1 
ATOM   538  C  CD1 . LEU A 1 65  ? -39.698 -7.337  -61.039 1.00 40.95  ? 66  LEU A CD1 1 
ATOM   539  C  CD2 . LEU A 1 65  ? -41.314 -9.192  -60.782 1.00 37.30  ? 66  LEU A CD2 1 
ATOM   540  N  N   . LYS A 1 66  ? -38.267 -11.472 -64.572 1.00 46.16  ? 67  LYS A N   1 
ATOM   541  C  CA  . LYS A 1 66  ? -38.284 -11.909 -65.963 1.00 44.25  ? 67  LYS A CA  1 
ATOM   542  C  C   . LYS A 1 66  ? -38.687 -13.379 -66.057 1.00 45.36  ? 67  LYS A C   1 
ATOM   543  O  O   . LYS A 1 66  ? -39.512 -13.762 -66.895 1.00 43.16  ? 67  LYS A O   1 
ATOM   544  C  CB  . LYS A 1 66  ? -36.915 -11.667 -66.611 1.00 37.05  ? 67  LYS A CB  1 
ATOM   545  C  CG  . LYS A 1 66  ? -36.805 -12.286 -68.010 1.00 46.04  ? 67  LYS A CG  1 
ATOM   546  C  CD  . LYS A 1 66  ? -35.394 -12.771 -68.351 1.00 57.73  ? 67  LYS A CD  1 
ATOM   547  C  CE  . LYS A 1 66  ? -35.021 -12.566 -69.841 1.00 73.06  ? 67  LYS A CE  1 
ATOM   548  N  NZ  . LYS A 1 66  ? -34.566 -11.177 -70.232 1.00 67.87  ? 67  LYS A NZ  1 
ATOM   549  N  N   . MET A 1 67  ? -38.124 -14.209 -65.181 1.00 48.16  ? 68  MET A N   1 
ATOM   550  C  CA  . MET A 1 67  ? -38.483 -15.619 -65.131 1.00 40.49  ? 68  MET A CA  1 
ATOM   551  C  C   . MET A 1 67  ? -39.962 -15.799 -64.829 1.00 46.45  ? 68  MET A C   1 
ATOM   552  O  O   . MET A 1 67  ? -40.619 -16.691 -65.385 1.00 45.29  ? 68  MET A O   1 
ATOM   553  C  CB  . MET A 1 67  ? -37.626 -16.317 -64.074 1.00 44.73  ? 68  MET A CB  1 
ATOM   554  C  CG  . MET A 1 67  ? -37.703 -17.818 -64.123 1.00 47.26  ? 68  MET A CG  1 
ATOM   555  S  SD  . MET A 1 67  ? -38.893 -18.437 -62.944 1.00 61.68  ? 68  MET A SD  1 
ATOM   556  C  CE  . MET A 1 67  ? -38.078 -18.045 -61.401 1.00 39.03  ? 68  MET A CE  1 
ATOM   557  N  N   . GLN A 1 68  ? -40.503 -14.974 -63.933 1.00 46.13  ? 69  GLN A N   1 
ATOM   558  C  CA  . GLN A 1 68  ? -41.925 -15.063 -63.634 1.00 44.79  ? 69  GLN A CA  1 
ATOM   559  C  C   . GLN A 1 68  ? -42.750 -14.942 -64.910 1.00 42.39  ? 69  GLN A C   1 
ATOM   560  O  O   . GLN A 1 68  ? -43.681 -15.726 -65.135 1.00 43.38  ? 69  GLN A O   1 
ATOM   561  C  CB  . GLN A 1 68  ? -42.305 -13.986 -62.621 1.00 43.96  ? 69  GLN A CB  1 
ATOM   562  C  CG  . GLN A 1 68  ? -43.753 -14.030 -62.156 1.00 45.01  ? 69  GLN A CG  1 
ATOM   563  C  CD  . GLN A 1 68  ? -43.979 -15.011 -61.017 1.00 46.55  ? 69  GLN A CD  1 
ATOM   564  O  OE1 . GLN A 1 68  ? -44.312 -16.182 -61.239 1.00 47.59  ? 69  GLN A OE1 1 
ATOM   565  N  NE2 . GLN A 1 68  ? -43.794 -14.538 -59.785 1.00 44.81  ? 69  GLN A NE2 1 
ATOM   566  N  N   . ASN A 1 69  ? -42.385 -13.997 -65.780 1.00 46.16  ? 70  ASN A N   1 
ATOM   567  C  CA  . ASN A 1 69  ? -43.129 -13.795 -67.021 1.00 46.78  ? 70  ASN A CA  1 
ATOM   568  C  C   . ASN A 1 69  ? -42.892 -14.933 -68.007 1.00 42.42  ? 70  ASN A C   1 
ATOM   569  O  O   . ASN A 1 69  ? -43.819 -15.366 -68.696 1.00 39.59  ? 70  ASN A O   1 
ATOM   570  C  CB  . ASN A 1 69  ? -42.746 -12.468 -67.666 1.00 44.30  ? 70  ASN A CB  1 
ATOM   571  C  CG  . ASN A 1 69  ? -43.497 -11.302 -67.088 1.00 45.33  ? 70  ASN A CG  1 
ATOM   572  O  OD1 . ASN A 1 69  ? -44.381 -11.457 -66.243 1.00 45.69  ? 70  ASN A OD1 1 
ATOM   573  N  ND2 . ASN A 1 69  ? -43.176 -10.116 -67.572 1.00 50.97  ? 70  ASN A ND2 1 
ATOM   574  N  N   . GLN A 1 70  ? -41.662 -15.436 -68.086 1.00 42.13  ? 71  GLN A N   1 
ATOM   575  C  CA  . GLN A 1 70  ? -41.394 -16.558 -68.981 1.00 46.49  ? 71  GLN A CA  1 
ATOM   576  C  C   . GLN A 1 70  ? -42.224 -17.797 -68.628 1.00 46.53  ? 71  GLN A C   1 
ATOM   577  O  O   . GLN A 1 70  ? -42.501 -18.625 -69.504 1.00 44.96  ? 71  GLN A O   1 
ATOM   578  C  CB  . GLN A 1 70  ? -39.912 -16.895 -68.951 1.00 35.86  ? 71  GLN A CB  1 
ATOM   579  C  CG  . GLN A 1 70  ? -39.154 -16.303 -70.073 1.00 45.37  ? 71  GLN A CG  1 
ATOM   580  C  CD  . GLN A 1 70  ? -37.659 -16.328 -69.818 1.00 61.29  ? 71  GLN A CD  1 
ATOM   581  O  OE1 . GLN A 1 70  ? -37.168 -17.109 -68.999 1.00 62.87  ? 71  GLN A OE1 1 
ATOM   582  N  NE2 . GLN A 1 70  ? -36.926 -15.483 -70.527 1.00 64.58  ? 71  GLN A NE2 1 
ATOM   583  N  N   . ARG A 1 71  ? -42.619 -17.954 -67.359 1.00 43.92  ? 72  ARG A N   1 
ATOM   584  C  CA  . ARG A 1 71  ? -43.366 -19.135 -66.953 1.00 45.42  ? 72  ARG A CA  1 
ATOM   585  C  C   . ARG A 1 71  ? -44.870 -18.944 -67.011 1.00 45.54  ? 72  ARG A C   1 
ATOM   586  O  O   . ARG A 1 71  ? -45.601 -19.937 -66.959 1.00 49.55  ? 72  ARG A O   1 
ATOM   587  C  CB  . ARG A 1 71  ? -42.988 -19.571 -65.532 1.00 45.44  ? 72  ARG A CB  1 
ATOM   588  C  CG  . ARG A 1 71  ? -41.571 -20.068 -65.385 1.00 44.61  ? 72  ARG A CG  1 
ATOM   589  C  CD  . ARG A 1 71  ? -41.286 -21.185 -66.362 1.00 43.15  ? 72  ARG A CD  1 
ATOM   590  N  NE  . ARG A 1 71  ? -42.161 -22.324 -66.114 1.00 51.16  ? 72  ARG A NE  1 
ATOM   591  C  CZ  . ARG A 1 71  ? -41.973 -23.222 -65.156 1.00 48.62  ? 72  ARG A CZ  1 
ATOM   592  N  NH1 . ARG A 1 71  ? -40.930 -23.157 -64.342 1.00 45.59  ? 72  ARG A NH1 1 
ATOM   593  N  NH2 . ARG A 1 71  ? -42.856 -24.206 -65.008 1.00 44.16  ? 72  ARG A NH2 1 
ATOM   594  N  N   . GLY A 1 72  ? -45.352 -17.712 -67.115 1.00 46.28  ? 73  GLY A N   1 
ATOM   595  C  CA  . GLY A 1 72  ? -46.779 -17.463 -67.145 1.00 50.42  ? 73  GLY A CA  1 
ATOM   596  C  C   . GLY A 1 72  ? -47.408 -17.115 -65.815 1.00 51.03  ? 73  GLY A C   1 
ATOM   597  O  O   . GLY A 1 72  ? -48.644 -17.180 -65.696 1.00 50.40  ? 73  GLY A O   1 
ATOM   598  N  N   . GLY A 1 73  ? -46.599 -16.785 -64.801 1.00 46.70  ? 74  GLY A N   1 
ATOM   599  C  CA  . GLY A 1 73  ? -47.123 -16.235 -63.571 1.00 45.81  ? 74  GLY A CA  1 
ATOM   600  C  C   . GLY A 1 73  ? -47.305 -14.726 -63.677 1.00 52.68  ? 74  GLY A C   1 
ATOM   601  O  O   . GLY A 1 73  ? -46.825 -14.090 -64.618 1.00 52.21  ? 74  GLY A O   1 
ATOM   602  N  N   . ARG A 1 74  ? -48.024 -14.173 -62.702 1.00 50.12  ? 75  ARG A N   1 
ATOM   603  C  CA  . ARG A 1 74  ? -48.286 -12.739 -62.612 1.00 52.28  ? 75  ARG A CA  1 
ATOM   604  C  C   . ARG A 1 74  ? -47.454 -12.152 -61.476 1.00 47.60  ? 75  ARG A C   1 
ATOM   605  O  O   . ARG A 1 74  ? -47.575 -12.589 -60.323 1.00 49.91  ? 75  ARG A O   1 
ATOM   606  C  CB  . ARG A 1 74  ? -49.769 -12.463 -62.354 1.00 55.95  ? 75  ARG A CB  1 
ATOM   607  C  CG  . ARG A 1 74  ? -50.710 -12.734 -63.517 1.00 58.66  ? 75  ARG A CG  1 
ATOM   608  C  CD  . ARG A 1 74  ? -50.149 -12.199 -64.793 1.00 60.51  ? 75  ARG A CD  1 
ATOM   609  N  NE  . ARG A 1 74  ? -50.790 -12.773 -65.967 1.00 64.49  ? 75  ARG A NE  1 
ATOM   610  C  CZ  . ARG A 1 74  ? -50.120 -13.209 -67.023 1.00 67.91  ? 75  ARG A CZ  1 
ATOM   611  N  NH1 . ARG A 1 74  ? -48.795 -13.189 -67.050 1.00 56.75  ? 75  ARG A NH1 1 
ATOM   612  N  NH2 . ARG A 1 74  ? -50.795 -13.677 -68.077 1.00 65.36  ? 75  ARG A NH2 1 
ATOM   613  N  N   . ALA A 1 75  ? -46.622 -11.165 -61.795 1.00 42.46  ? 76  ALA A N   1 
ATOM   614  C  CA  . ALA A 1 75  ? -45.853 -10.485 -60.760 1.00 45.74  ? 76  ALA A CA  1 
ATOM   615  C  C   . ALA A 1 75  ? -46.775 -9.592  -59.937 1.00 44.51  ? 76  ALA A C   1 
ATOM   616  O  O   . ALA A 1 75  ? -47.581 -8.835  -60.485 1.00 49.98  ? 76  ALA A O   1 
ATOM   617  C  CB  . ALA A 1 75  ? -44.723 -9.660  -61.378 1.00 32.80  ? 76  ALA A CB  1 
ATOM   618  N  N   . LEU A 1 76  ? -46.682 -9.696  -58.620 1.00 39.00  ? 77  LEU A N   1 
ATOM   619  C  CA  . LEU A 1 76  ? -47.442 -8.830  -57.731 1.00 47.49  ? 77  LEU A CA  1 
ATOM   620  C  C   . LEU A 1 76  ? -46.461 -8.149  -56.796 1.00 50.54  ? 77  LEU A C   1 
ATOM   621  O  O   . LEU A 1 76  ? -45.576 -8.804  -56.229 1.00 42.46  ? 77  LEU A O   1 
ATOM   622  C  CB  . LEU A 1 76  ? -48.496 -9.599  -56.935 1.00 47.10  ? 77  LEU A CB  1 
ATOM   623  C  CG  . LEU A 1 76  ? -49.683 -10.021 -57.785 1.00 47.16  ? 77  LEU A CG  1 
ATOM   624  C  CD1 . LEU A 1 76  ? -50.493 -11.070 -57.032 1.00 54.17  ? 77  LEU A CD1 1 
ATOM   625  C  CD2 . LEU A 1 76  ? -50.523 -8.813  -58.135 1.00 48.31  ? 77  LEU A CD2 1 
ATOM   626  N  N   . PHE A 1 77  ? -46.611 -6.837  -56.652 1.00 48.83  ? 78  PHE A N   1 
ATOM   627  C  CA  . PHE A 1 77  ? -45.657 -6.035  -55.912 1.00 46.50  ? 78  PHE A CA  1 
ATOM   628  C  C   . PHE A 1 77  ? -46.257 -5.622  -54.577 1.00 46.01  ? 78  PHE A C   1 
ATOM   629  O  O   . PHE A 1 77  ? -47.435 -5.258  -54.496 1.00 50.06  ? 78  PHE A O   1 
ATOM   630  C  CB  . PHE A 1 77  ? -45.226 -4.829  -56.751 1.00 44.49  ? 78  PHE A CB  1 
ATOM   631  C  CG  . PHE A 1 77  ? -44.385 -5.213  -57.948 1.00 47.75  ? 78  PHE A CG  1 
ATOM   632  C  CD1 . PHE A 1 77  ? -43.101 -5.721  -57.780 1.00 48.95  ? 78  PHE A CD1 1 
ATOM   633  C  CD2 . PHE A 1 77  ? -44.892 -5.114  -59.233 1.00 47.19  ? 78  PHE A CD2 1 
ATOM   634  C  CE1 . PHE A 1 77  ? -42.328 -6.091  -58.879 1.00 50.27  ? 78  PHE A CE1 1 
ATOM   635  C  CE2 . PHE A 1 77  ? -44.124 -5.492  -60.339 1.00 50.38  ? 78  PHE A CE2 1 
ATOM   636  C  CZ  . PHE A 1 77  ? -42.842 -5.977  -60.163 1.00 44.41  ? 78  PHE A CZ  1 
ATOM   637  N  N   . GLN A 1 78  ? -45.450 -5.740  -53.530 1.00 44.57  ? 79  GLN A N   1 
ATOM   638  C  CA  . GLN A 1 78  ? -45.779 -5.312  -52.180 1.00 48.93  ? 79  GLN A CA  1 
ATOM   639  C  C   . GLN A 1 78  ? -44.933 -4.106  -51.787 1.00 49.30  ? 79  GLN A C   1 
ATOM   640  O  O   . GLN A 1 78  ? -43.969 -3.749  -52.473 1.00 51.11  ? 79  GLN A O   1 
ATOM   641  C  CB  . GLN A 1 78  ? -45.559 -6.466  -51.197 1.00 55.37  ? 79  GLN A CB  1 
ATOM   642  C  CG  . GLN A 1 78  ? -46.097 -7.783  -51.699 1.00 55.79  ? 79  GLN A CG  1 
ATOM   643  C  CD  . GLN A 1 78  ? -47.616 -7.823  -51.586 1.00 74.44  ? 79  GLN A CD  1 
ATOM   644  O  OE1 . GLN A 1 78  ? -48.231 -6.941  -50.964 1.00 69.05  ? 79  GLN A OE1 1 
ATOM   645  N  NE2 . GLN A 1 78  ? -48.232 -8.830  -52.205 1.00 75.93  ? 79  GLN A NE2 1 
ATOM   646  N  N   . ASP A 1 79  ? -45.297 -3.485  -50.661 1.00 45.72  ? 80  ASP A N   1 
ATOM   647  C  CA  . ASP A 1 79  ? -44.452 -2.463  -50.048 1.00 42.60  ? 80  ASP A CA  1 
ATOM   648  C  C   . ASP A 1 79  ? -43.061 -3.009  -49.743 1.00 48.01  ? 80  ASP A C   1 
ATOM   649  O  O   . ASP A 1 79  ? -42.890 -4.175  -49.370 1.00 50.12  ? 80  ASP A O   1 
ATOM   650  C  CB  . ASP A 1 79  ? -45.070 -1.957  -48.748 1.00 47.52  ? 80  ASP A CB  1 
ATOM   651  C  CG  . ASP A 1 79  ? -46.426 -1.332  -48.947 1.00 50.14  ? 80  ASP A CG  1 
ATOM   652  O  OD1 . ASP A 1 79  ? -46.650 -0.769  -50.033 1.00 53.38  ? 80  ASP A OD1 1 
ATOM   653  O  OD2 . ASP A 1 79  ? -47.250 -1.378  -48.010 1.00 46.27  ? 80  ASP A OD2 1 
ATOM   654  N  N   . LEU A 1 80  ? -42.059 -2.149  -49.889 1.00 44.66  ? 81  LEU A N   1 
ATOM   655  C  CA  . LEU A 1 80  ? -40.696 -2.453  -49.464 1.00 44.78  ? 81  LEU A CA  1 
ATOM   656  C  C   . LEU A 1 80  ? -40.494 -1.891  -48.058 1.00 41.81  ? 81  LEU A C   1 
ATOM   657  O  O   . LEU A 1 80  ? -40.470 -0.671  -47.868 1.00 46.83  ? 81  LEU A O   1 
ATOM   658  C  CB  . LEU A 1 80  ? -39.676 -1.872  -50.442 1.00 47.98  ? 81  LEU A CB  1 
ATOM   659  C  CG  . LEU A 1 80  ? -39.457 -2.576  -51.793 1.00 51.51  ? 81  LEU A CG  1 
ATOM   660  C  CD1 . LEU A 1 80  ? -38.149 -2.127  -52.412 1.00 49.91  ? 81  LEU A CD1 1 
ATOM   661  C  CD2 . LEU A 1 80  ? -39.461 -4.093  -51.648 1.00 46.83  ? 81  LEU A CD2 1 
ATOM   662  N  N   . GLN A 1 81  ? -40.413 -2.781  -47.071 1.00 47.19  ? 82  GLN A N   1 
ATOM   663  C  CA  . GLN A 1 81  ? -40.000 -2.404  -45.724 1.00 41.01  ? 82  GLN A CA  1 
ATOM   664  C  C   . GLN A 1 81  ? -38.673 -1.665  -45.793 1.00 43.56  ? 82  GLN A C   1 
ATOM   665  O  O   . GLN A 1 81  ? -37.779 -2.028  -46.559 1.00 39.71  ? 82  GLN A O   1 
ATOM   666  C  CB  . GLN A 1 81  ? -39.911 -3.667  -44.845 1.00 43.79  ? 82  GLN A CB  1 
ATOM   667  C  CG  . GLN A 1 81  ? -39.391 -3.587  -43.382 1.00 57.04  ? 82  GLN A CG  1 
ATOM   668  C  CD  . GLN A 1 81  ? -40.355 -2.954  -42.338 1.00 65.87  ? 82  GLN A CD  1 
ATOM   669  O  OE1 . GLN A 1 81  ? -40.102 -1.850  -41.816 1.00 47.13  ? 82  GLN A OE1 1 
ATOM   670  N  NE2 . GLN A 1 81  ? -41.467 -3.640  -42.056 1.00 66.87  ? 82  GLN A NE2 1 
ATOM   671  N  N   . LYS A 1 82  ? -38.594 -0.570  -45.048 1.00 47.90  ? 83  LYS A N   1 
ATOM   672  C  CA  . LYS A 1 82  ? -37.385 0.215   -44.916 1.00 44.69  ? 83  LYS A CA  1 
ATOM   673  C  C   . LYS A 1 82  ? -36.297 -0.599  -44.224 1.00 48.31  ? 83  LYS A C   1 
ATOM   674  O  O   . LYS A 1 82  ? -36.585 -1.597  -43.549 1.00 49.05  ? 83  LYS A O   1 
ATOM   675  C  CB  . LYS A 1 82  ? -37.694 1.487   -44.126 1.00 51.25  ? 83  LYS A CB  1 
ATOM   676  C  CG  . LYS A 1 82  ? -37.722 1.312   -42.599 1.00 43.09  ? 83  LYS A CG  1 
ATOM   677  C  CD  . LYS A 1 82  ? -37.770 2.667   -41.920 1.00 42.84  ? 83  LYS A CD  1 
ATOM   678  C  CE  . LYS A 1 82  ? -37.191 2.591   -40.520 1.00 58.70  ? 83  LYS A CE  1 
ATOM   679  N  NZ  . LYS A 1 82  ? -37.234 3.908   -39.813 1.00 70.41  ? 83  LYS A NZ  1 
ATOM   680  N  N   . PRO A 1 83  ? -35.032 -0.201  -44.394 1.00 46.30  ? 84  PRO A N   1 
ATOM   681  C  CA  . PRO A 1 83  ? -33.936 -0.905  -43.717 1.00 46.85  ? 84  PRO A CA  1 
ATOM   682  C  C   . PRO A 1 83  ? -34.114 -0.912  -42.207 1.00 49.41  ? 84  PRO A C   1 
ATOM   683  O  O   . PRO A 1 83  ? -34.713 -0.007  -41.617 1.00 50.17  ? 84  PRO A O   1 
ATOM   684  C  CB  . PRO A 1 83  ? -32.689 -0.109  -44.121 1.00 48.45  ? 84  PRO A CB  1 
ATOM   685  C  CG  . PRO A 1 83  ? -33.054 0.599   -45.382 1.00 46.32  ? 84  PRO A CG  1 
ATOM   686  C  CD  . PRO A 1 83  ? -34.550 0.812   -45.353 1.00 47.93  ? 84  PRO A CD  1 
ATOM   687  N  N   . SER A 1 84  ? -33.567 -1.954  -41.581 1.00 55.19  ? 85  SER A N   1 
ATOM   688  C  CA  . SER A 1 84  ? -33.721 -2.130  -40.143 1.00 54.75  ? 85  SER A CA  1 
ATOM   689  C  C   . SER A 1 84  ? -32.976 -1.075  -39.333 1.00 55.62  ? 85  SER A C   1 
ATOM   690  O  O   . SER A 1 84  ? -33.347 -0.839  -38.178 1.00 66.08  ? 85  SER A O   1 
ATOM   691  C  CB  . SER A 1 84  ? -33.256 -3.532  -39.729 1.00 60.21  ? 85  SER A CB  1 
ATOM   692  O  OG  . SER A 1 84  ? -31.989 -3.848  -40.281 1.00 57.72  ? 85  SER A OG  1 
ATOM   693  N  N   . GLN A 1 85  ? -31.945 -0.436  -39.892 1.00 54.96  ? 86  GLN A N   1 
ATOM   694  C  CA  . GLN A 1 85  ? -31.205 0.591   -39.172 1.00 55.13  ? 86  GLN A CA  1 
ATOM   695  C  C   . GLN A 1 85  ? -31.078 1.858   -40.006 1.00 54.23  ? 86  GLN A C   1 
ATOM   696  O  O   . GLN A 1 85  ? -31.133 1.826   -41.236 1.00 55.56  ? 86  GLN A O   1 
ATOM   697  C  CB  . GLN A 1 85  ? -29.816 0.099   -38.772 1.00 50.88  ? 86  GLN A CB  1 
ATOM   698  C  CG  . GLN A 1 85  ? -29.795 -0.628  -37.445 1.00 54.12  ? 86  GLN A CG  1 
ATOM   699  C  CD  . GLN A 1 85  ? -28.767 -1.731  -37.430 1.00 63.37  ? 86  GLN A CD  1 
ATOM   700  O  OE1 . GLN A 1 85  ? -27.581 -1.478  -37.222 1.00 66.54  ? 86  GLN A OE1 1 
ATOM   701  N  NE2 . GLN A 1 85  ? -29.206 -2.963  -37.676 1.00 67.64  ? 86  GLN A NE2 1 
ATOM   702  N  N   . ASP A 1 86  ? -30.916 2.982   -39.316 1.00 55.36  ? 87  ASP A N   1 
ATOM   703  C  CA  . ASP A 1 86  ? -30.601 4.249   -39.960 1.00 57.65  ? 87  ASP A CA  1 
ATOM   704  C  C   . ASP A 1 86  ? -29.119 4.564   -39.926 1.00 56.37  ? 87  ASP A C   1 
ATOM   705  O  O   . ASP A 1 86  ? -28.630 5.309   -40.781 1.00 57.30  ? 87  ASP A O   1 
ATOM   706  C  CB  . ASP A 1 86  ? -31.358 5.397   -39.286 1.00 57.98  ? 87  ASP A CB  1 
ATOM   707  C  CG  . ASP A 1 86  ? -32.863 5.204   -39.312 1.00 57.50  ? 87  ASP A CG  1 
ATOM   708  O  OD1 . ASP A 1 86  ? -33.428 4.829   -40.373 1.00 58.07  ? 87  ASP A OD1 1 
ATOM   709  O  OD2 . ASP A 1 86  ? -33.482 5.431   -38.252 1.00 62.14  ? 87  ASP A OD2 1 
ATOM   710  N  N   . GLU A 1 87  ? -28.412 4.028   -38.939 1.00 56.60  ? 88  GLU A N   1 
ATOM   711  C  CA  . GLU A 1 87  ? -26.970 4.154   -38.803 1.00 59.67  ? 88  GLU A CA  1 
ATOM   712  C  C   . GLU A 1 87  ? -26.413 2.772   -38.503 1.00 55.21  ? 88  GLU A C   1 
ATOM   713  O  O   . GLU A 1 87  ? -26.975 2.042   -37.677 1.00 55.10  ? 88  GLU A O   1 
ATOM   714  C  CB  . GLU A 1 87  ? -26.585 5.153   -37.686 1.00 62.50  ? 88  GLU A CB  1 
ATOM   715  C  CG  . GLU A 1 87  ? -27.363 6.478   -37.724 1.00 65.97  ? 88  GLU A CG  1 
ATOM   716  C  CD  . GLU A 1 87  ? -26.628 7.625   -37.037 1.00 74.84  ? 88  GLU A CD  1 
ATOM   717  O  OE1 . GLU A 1 87  ? -25.959 7.378   -36.005 1.00 80.69  ? 88  GLU A OE1 1 
ATOM   718  O  OE2 . GLU A 1 87  ? -26.719 8.775   -37.531 1.00 77.38  ? 88  GLU A OE2 1 
ATOM   719  N  N   . TRP A 1 88  ? -25.312 2.411   -39.169 1.00 47.59  ? 89  TRP A N   1 
ATOM   720  C  CA  . TRP A 1 88  ? -24.839 1.031   -39.173 1.00 46.85  ? 89  TRP A CA  1 
ATOM   721  C  C   . TRP A 1 88  ? -23.538 0.816   -38.399 1.00 49.05  ? 89  TRP A C   1 
ATOM   722  O  O   . TRP A 1 88  ? -22.956 -0.281  -38.472 1.00 43.31  ? 89  TRP A O   1 
ATOM   723  C  CB  . TRP A 1 88  ? -24.682 0.547   -40.612 1.00 48.39  ? 89  TRP A CB  1 
ATOM   724  C  CG  . TRP A 1 88  ? -25.923 0.652   -41.413 1.00 50.80  ? 89  TRP A CG  1 
ATOM   725  C  CD1 . TRP A 1 88  ? -26.299 1.695   -42.224 1.00 52.39  ? 89  TRP A CD1 1 
ATOM   726  C  CD2 . TRP A 1 88  ? -26.962 -0.326  -41.511 1.00 54.28  ? 89  TRP A CD2 1 
ATOM   727  N  NE1 . TRP A 1 88  ? -27.516 1.423   -42.814 1.00 50.16  ? 89  TRP A NE1 1 
ATOM   728  C  CE2 . TRP A 1 88  ? -27.943 0.188   -42.396 1.00 50.27  ? 89  TRP A CE2 1 
ATOM   729  C  CE3 . TRP A 1 88  ? -27.162 -1.588  -40.936 1.00 52.83  ? 89  TRP A CE3 1 
ATOM   730  C  CZ2 . TRP A 1 88  ? -29.106 -0.515  -42.711 1.00 46.64  ? 89  TRP A CZ2 1 
ATOM   731  C  CZ3 . TRP A 1 88  ? -28.320 -2.289  -41.256 1.00 50.37  ? 89  TRP A CZ3 1 
ATOM   732  C  CH2 . TRP A 1 88  ? -29.274 -1.749  -42.136 1.00 52.22  ? 89  TRP A CH2 1 
ATOM   733  N  N   . GLY A 1 89  ? -23.072 1.819   -37.654 1.00 47.53  ? 90  GLY A N   1 
ATOM   734  C  CA  . GLY A 1 89  ? -21.914 1.608   -36.796 1.00 42.43  ? 90  GLY A CA  1 
ATOM   735  C  C   . GLY A 1 89  ? -20.636 1.497   -37.611 1.00 53.90  ? 90  GLY A C   1 
ATOM   736  O  O   . GLY A 1 89  ? -20.403 2.267   -38.552 1.00 51.61  ? 90  GLY A O   1 
ATOM   737  N  N   . THR A 1 90  ? -19.808 0.507   -37.272 1.00 53.03  ? 91  THR A N   1 
ATOM   738  C  CA  . THR A 1 90  ? -18.491 0.350   -37.868 1.00 47.19  ? 91  THR A CA  1 
ATOM   739  C  C   . THR A 1 90  ? -18.521 -0.605  -39.068 1.00 49.29  ? 91  THR A C   1 
ATOM   740  O  O   . THR A 1 90  ? -19.551 -1.185  -39.419 1.00 52.60  ? 91  THR A O   1 
ATOM   741  C  CB  . THR A 1 90  ? -17.508 -0.135  -36.801 1.00 49.97  ? 91  THR A CB  1 
ATOM   742  O  OG1 . THR A 1 90  ? -17.875 -1.450  -36.359 1.00 47.58  ? 91  THR A OG1 1 
ATOM   743  C  CG2 . THR A 1 90  ? -17.521 0.798   -35.626 1.00 48.84  ? 91  THR A CG2 1 
ATOM   744  N  N   . THR A 1 91  ? -17.357 -0.771  -39.707 1.00 49.77  ? 92  THR A N   1 
ATOM   745  C  CA  . THR A 1 91  ? -17.234 -1.761  -40.769 1.00 46.75  ? 92  THR A CA  1 
ATOM   746  C  C   . THR A 1 91  ? -17.549 -3.158  -40.254 1.00 49.29  ? 92  THR A C   1 
ATOM   747  O  O   . THR A 1 91  ? -18.253 -3.926  -40.924 1.00 50.03  ? 92  THR A O   1 
ATOM   748  C  CB  . THR A 1 91  ? -15.833 -1.709  -41.375 1.00 44.59  ? 92  THR A CB  1 
ATOM   749  O  OG1 . THR A 1 91  ? -15.476 -0.339  -41.584 1.00 48.90  ? 92  THR A OG1 1 
ATOM   750  C  CG2 . THR A 1 91  ? -15.790 -2.441  -42.715 1.00 36.80  ? 92  THR A CG2 1 
ATOM   751  N  N   . LEU A 1 92  ? -17.055 -3.496  -39.056 1.00 48.76  ? 93  LEU A N   1 
ATOM   752  C  CA  . LEU A 1 92  ? -17.334 -4.808  -38.479 1.00 48.48  ? 93  LEU A CA  1 
ATOM   753  C  C   . LEU A 1 92  ? -18.826 -5.009  -38.265 1.00 50.53  ? 93  LEU A C   1 
ATOM   754  O  O   . LEU A 1 92  ? -19.350 -6.101  -38.512 1.00 53.88  ? 93  LEU A O   1 
ATOM   755  C  CB  . LEU A 1 92  ? -16.577 -4.985  -37.160 1.00 49.31  ? 93  LEU A CB  1 
ATOM   756  C  CG  . LEU A 1 92  ? -16.771 -6.326  -36.443 1.00 52.39  ? 93  LEU A CG  1 
ATOM   757  C  CD1 . LEU A 1 92  ? -16.161 -7.465  -37.250 1.00 52.56  ? 93  LEU A CD1 1 
ATOM   758  C  CD2 . LEU A 1 92  ? -16.148 -6.266  -35.069 1.00 53.86  ? 93  LEU A CD2 1 
ATOM   759  N  N   . ASP A 1 93  ? -19.527 -3.971  -37.801 1.00 43.03  ? 94  ASP A N   1 
ATOM   760  C  CA  . ASP A 1 93  ? -20.963 -4.090  -37.594 1.00 40.77  ? 94  ASP A CA  1 
ATOM   761  C  C   . ASP A 1 93  ? -21.684 -4.229  -38.927 1.00 46.07  ? 94  ASP A C   1 
ATOM   762  O  O   . ASP A 1 93  ? -22.536 -5.111  -39.095 1.00 45.92  ? 94  ASP A O   1 
ATOM   763  C  CB  . ASP A 1 93  ? -21.494 -2.878  -36.823 1.00 52.40  ? 94  ASP A CB  1 
ATOM   764  C  CG  . ASP A 1 93  ? -20.924 -2.773  -35.401 1.00 55.58  ? 94  ASP A CG  1 
ATOM   765  O  OD1 . ASP A 1 93  ? -20.847 -3.806  -34.700 1.00 54.73  ? 94  ASP A OD1 1 
ATOM   766  O  OD2 . ASP A 1 93  ? -20.552 -1.643  -34.987 1.00 55.29  ? 94  ASP A OD2 1 
ATOM   767  N  N   . ALA A 1 94  ? -21.347 -3.362  -39.888 1.00 46.08  ? 95  ALA A N   1 
ATOM   768  C  CA  . ALA A 1 94  ? -21.955 -3.433  -41.216 1.00 48.69  ? 95  ALA A CA  1 
ATOM   769  C  C   . ALA A 1 94  ? -21.776 -4.812  -41.833 1.00 43.78  ? 95  ALA A C   1 
ATOM   770  O  O   . ALA A 1 94  ? -22.727 -5.394  -42.364 1.00 40.01  ? 95  ALA A O   1 
ATOM   771  C  CB  . ALA A 1 94  ? -21.353 -2.364  -42.133 1.00 44.28  ? 95  ALA A CB  1 
ATOM   772  N  N   . MET A 1 95  ? -20.551 -5.342  -41.779 1.00 46.63  ? 96  MET A N   1 
ATOM   773  C  CA  . MET A 1 95  ? -20.265 -6.651  -42.354 1.00 46.46  ? 96  MET A CA  1 
ATOM   774  C  C   . MET A 1 95  ? -21.092 -7.735  -41.681 1.00 47.43  ? 96  MET A C   1 
ATOM   775  O  O   . MET A 1 95  ? -21.659 -8.605  -42.355 1.00 49.98  ? 96  MET A O   1 
ATOM   776  C  CB  . MET A 1 95  ? -18.777 -6.962  -42.213 1.00 53.94  ? 96  MET A CB  1 
ATOM   777  C  CG  . MET A 1 95  ? -18.151 -7.740  -43.365 1.00 56.07  ? 96  MET A CG  1 
ATOM   778  S  SD  . MET A 1 95  ? -18.703 -7.261  -45.013 1.00 60.35  ? 96  MET A SD  1 
ATOM   779  C  CE  . MET A 1 95  ? -17.446 -6.083  -45.505 1.00 44.49  ? 96  MET A CE  1 
ATOM   780  N  N   . LYS A 1 96  ? -21.162 -7.696  -40.349 1.00 44.60  ? 97  LYS A N   1 
ATOM   781  C  CA  . LYS A 1 96  ? -21.988 -8.627  -39.584 1.00 45.52  ? 97  LYS A CA  1 
ATOM   782  C  C   . LYS A 1 96  ? -23.429 -8.606  -40.078 1.00 43.53  ? 97  LYS A C   1 
ATOM   783  O  O   . LYS A 1 96  ? -24.022 -9.652  -40.361 1.00 45.81  ? 97  LYS A O   1 
ATOM   784  C  CB  . LYS A 1 96  ? -21.933 -8.239  -38.107 1.00 45.50  ? 97  LYS A CB  1 
ATOM   785  C  CG  . LYS A 1 96  ? -21.062 -9.097  -37.220 1.00 46.42  ? 97  LYS A CG  1 
ATOM   786  C  CD  . LYS A 1 96  ? -20.491 -8.223  -36.105 1.00 55.26  ? 97  LYS A CD  1 
ATOM   787  C  CE  . LYS A 1 96  ? -20.004 -9.017  -34.895 1.00 69.67  ? 97  LYS A CE  1 
ATOM   788  N  NZ  . LYS A 1 96  ? -18.874 -9.936  -35.211 1.00 72.27  ? 97  LYS A NZ  1 
ATOM   789  N  N   . ALA A 1 97  ? -24.001 -7.403  -40.187 1.00 44.97  ? 98  ALA A N   1 
ATOM   790  C  CA  . ALA A 1 97  ? -25.360 -7.226  -40.691 1.00 39.29  ? 98  ALA A CA  1 
ATOM   791  C  C   . ALA A 1 97  ? -25.523 -7.807  -42.091 1.00 43.02  ? 98  ALA A C   1 
ATOM   792  O  O   . ALA A 1 97  ? -26.518 -8.481  -42.389 1.00 43.03  ? 98  ALA A O   1 
ATOM   793  C  CB  . ALA A 1 97  ? -25.710 -5.737  -40.701 1.00 37.73  ? 98  ALA A CB  1 
ATOM   794  N  N   . ALA A 1 98  ? -24.573 -7.511  -42.979 1.00 43.68  ? 99  ALA A N   1 
ATOM   795  C  CA  . ALA A 1 98  ? -24.645 -8.007  -44.346 1.00 38.33  ? 99  ALA A CA  1 
ATOM   796  C  C   . ALA A 1 98  ? -24.705 -9.528  -44.381 1.00 44.12  ? 99  ALA A C   1 
ATOM   797  O  O   . ALA A 1 98  ? -25.515 -10.104 -45.116 1.00 43.12  ? 99  ALA A O   1 
ATOM   798  C  CB  . ALA A 1 98  ? -23.446 -7.496  -45.141 1.00 41.63  ? 99  ALA A CB  1 
ATOM   799  N  N   . ILE A 1 99  ? -23.861 -10.191 -43.580 1.00 44.11  ? 100 ILE A N   1 
ATOM   800  C  CA  . ILE A 1 99  ? -23.772 -11.646 -43.620 1.00 42.15  ? 100 ILE A CA  1 
ATOM   801  C  C   . ILE A 1 99  ? -25.076 -12.267 -43.152 1.00 41.64  ? 100 ILE A C   1 
ATOM   802  O  O   . ILE A 1 99  ? -25.529 -13.280 -43.699 1.00 43.65  ? 100 ILE A O   1 
ATOM   803  C  CB  . ILE A 1 99  ? -22.575 -12.135 -42.783 1.00 44.09  ? 100 ILE A CB  1 
ATOM   804  C  CG1 . ILE A 1 99  ? -21.931 -13.341 -43.429 1.00 47.90  ? 100 ILE A CG1 1 
ATOM   805  C  CG2 . ILE A 1 99  ? -22.994 -12.599 -41.411 1.00 45.32  ? 100 ILE A CG2 1 
ATOM   806  C  CD1 . ILE A 1 99  ? -20.475 -13.471 -43.047 1.00 56.83  ? 100 ILE A CD1 1 
ATOM   807  N  N   . VAL A 1 100 ? -25.712 -11.669 -42.149 1.00 38.54  ? 101 VAL A N   1 
ATOM   808  C  CA  . VAL A 1 100 ? -27.002 -12.177 -41.706 1.00 45.09  ? 101 VAL A CA  1 
ATOM   809  C  C   . VAL A 1 100 ? -28.035 -11.993 -42.810 1.00 45.70  ? 101 VAL A C   1 
ATOM   810  O  O   . VAL A 1 100 ? -28.857 -12.882 -43.072 1.00 45.31  ? 101 VAL A O   1 
ATOM   811  C  CB  . VAL A 1 100 ? -27.411 -11.477 -40.402 1.00 43.56  ? 101 VAL A CB  1 
ATOM   812  C  CG1 . VAL A 1 100 ? -28.916 -11.540 -40.201 1.00 45.69  ? 101 VAL A CG1 1 
ATOM   813  C  CG2 . VAL A 1 100 ? -26.663 -12.092 -39.259 1.00 42.10  ? 101 VAL A CG2 1 
ATOM   814  N  N   . LEU A 1 101 ? -27.966 -10.855 -43.507 1.00 40.42  ? 102 LEU A N   1 
ATOM   815  C  CA  . LEU A 1 101 ? -28.871 -10.589 -44.615 1.00 41.32  ? 102 LEU A CA  1 
ATOM   816  C  C   . LEU A 1 101 ? -28.678 -11.601 -45.743 1.00 42.28  ? 102 LEU A C   1 
ATOM   817  O  O   . LEU A 1 101 ? -29.648 -12.170 -46.258 1.00 39.22  ? 102 LEU A O   1 
ATOM   818  C  CB  . LEU A 1 101 ? -28.653 -9.160  -45.115 1.00 38.66  ? 102 LEU A CB  1 
ATOM   819  C  CG  . LEU A 1 101 ? -29.569 -8.727  -46.256 1.00 33.26  ? 102 LEU A CG  1 
ATOM   820  C  CD1 . LEU A 1 101 ? -30.998 -8.780  -45.795 1.00 44.39  ? 102 LEU A CD1 1 
ATOM   821  C  CD2 . LEU A 1 101 ? -29.229 -7.344  -46.694 1.00 40.79  ? 102 LEU A CD2 1 
ATOM   822  N  N   . GLU A 1 102 ? -27.432 -11.828 -46.158 1.00 40.41  ? 103 GLU A N   1 
ATOM   823  C  CA  . GLU A 1 102 ? -27.204 -12.801 -47.218 1.00 43.20  ? 103 GLU A CA  1 
ATOM   824  C  C   . GLU A 1 102 ? -27.620 -14.196 -46.774 1.00 45.78  ? 103 GLU A C   1 
ATOM   825  O  O   . GLU A 1 102 ? -28.150 -14.980 -47.571 1.00 42.00  ? 103 GLU A O   1 
ATOM   826  C  CB  . GLU A 1 102 ? -25.740 -12.796 -47.643 1.00 42.53  ? 103 GLU A CB  1 
ATOM   827  C  CG  . GLU A 1 102 ? -25.300 -11.524 -48.334 1.00 49.18  ? 103 GLU A CG  1 
ATOM   828  C  CD  . GLU A 1 102 ? -26.237 -11.058 -49.442 1.00 45.64  ? 103 GLU A CD  1 
ATOM   829  O  OE1 . GLU A 1 102 ? -26.815 -11.887 -50.173 1.00 41.89  ? 103 GLU A OE1 1 
ATOM   830  O  OE2 . GLU A 1 102 ? -26.379 -9.831  -49.593 1.00 48.00  ? 103 GLU A OE2 1 
ATOM   831  N  N   . LYS A 1 103 ? -27.395 -14.523 -45.503 1.00 43.92  ? 104 LYS A N   1 
ATOM   832  C  CA  . LYS A 1 103 ? -27.775 -15.842 -45.032 1.00 41.47  ? 104 LYS A CA  1 
ATOM   833  C  C   . LYS A 1 103 ? -29.280 -16.026 -45.029 1.00 40.22  ? 104 LYS A C   1 
ATOM   834  O  O   . LYS A 1 103 ? -29.748 -17.162 -45.075 1.00 43.55  ? 104 LYS A O   1 
ATOM   835  C  CB  . LYS A 1 103 ? -27.201 -16.097 -43.632 1.00 44.13  ? 104 LYS A CB  1 
ATOM   836  C  CG  . LYS A 1 103 ? -25.866 -16.853 -43.653 1.00 43.37  ? 104 LYS A CG  1 
ATOM   837  C  CD  . LYS A 1 103 ? -25.095 -16.687 -42.360 1.00 40.91  ? 104 LYS A CD  1 
ATOM   838  C  CE  . LYS A 1 103 ? -24.823 -18.031 -41.738 1.00 48.20  ? 104 LYS A CE  1 
ATOM   839  N  NZ  . LYS A 1 103 ? -24.237 -17.856 -40.386 1.00 59.26  ? 104 LYS A NZ  1 
ATOM   840  N  N   . SER A 1 104 ? -30.054 -14.946 -44.984 1.00 46.43  ? 105 SER A N   1 
ATOM   841  C  CA  . SER A 1 104 ? -31.503 -15.099 -45.009 1.00 40.71  ? 105 SER A CA  1 
ATOM   842  C  C   . SER A 1 104 ? -32.065 -15.125 -46.425 1.00 36.90  ? 105 SER A C   1 
ATOM   843  O  O   . SER A 1 104 ? -33.103 -15.758 -46.655 1.00 43.88  ? 105 SER A O   1 
ATOM   844  C  CB  . SER A 1 104 ? -32.169 -13.991 -44.187 1.00 38.05  ? 105 SER A CB  1 
ATOM   845  O  OG  . SER A 1 104 ? -32.218 -12.779 -44.913 1.00 52.08  ? 105 SER A OG  1 
ATOM   846  N  N   . LEU A 1 105 ? -31.416 -14.462 -47.384 1.00 37.21  ? 106 LEU A N   1 
ATOM   847  C  CA  . LEU A 1 105 ? -31.754 -14.704 -48.781 1.00 37.90  ? 106 LEU A CA  1 
ATOM   848  C  C   . LEU A 1 105 ? -31.460 -16.146 -49.145 1.00 43.67  ? 106 LEU A C   1 
ATOM   849  O  O   . LEU A 1 105 ? -32.295 -16.835 -49.742 1.00 44.39  ? 106 LEU A O   1 
ATOM   850  C  CB  . LEU A 1 105 ? -30.966 -13.778 -49.699 1.00 39.38  ? 106 LEU A CB  1 
ATOM   851  C  CG  . LEU A 1 105 ? -31.275 -12.298 -49.625 1.00 44.03  ? 106 LEU A CG  1 
ATOM   852  C  CD1 . LEU A 1 105 ? -30.214 -11.539 -50.425 1.00 46.35  ? 106 LEU A CD1 1 
ATOM   853  C  CD2 . LEU A 1 105 ? -32.691 -12.064 -50.160 1.00 45.22  ? 106 LEU A CD2 1 
ATOM   854  N  N   . ASN A 1 106 ? -30.255 -16.611 -48.798 1.00 41.27  ? 107 ASN A N   1 
ATOM   855  C  CA  . ASN A 1 106 ? -29.870 -17.983 -49.083 1.00 41.17  ? 107 ASN A CA  1 
ATOM   856  C  C   . ASN A 1 106 ? -30.870 -18.961 -48.482 1.00 44.03  ? 107 ASN A C   1 
ATOM   857  O  O   . ASN A 1 106 ? -31.228 -19.964 -49.114 1.00 45.24  ? 107 ASN A O   1 
ATOM   858  C  CB  . ASN A 1 106 ? -28.463 -18.243 -48.549 1.00 43.38  ? 107 ASN A CB  1 
ATOM   859  C  CG  . ASN A 1 106 ? -27.764 -19.398 -49.255 1.00 44.21  ? 107 ASN A CG  1 
ATOM   860  O  OD1 . ASN A 1 106 ? -27.850 -19.545 -50.473 1.00 50.18  ? 107 ASN A OD1 1 
ATOM   861  N  ND2 . ASN A 1 106 ? -27.052 -20.215 -48.489 1.00 39.99  ? 107 ASN A ND2 1 
ATOM   862  N  N   . GLN A 1 107 ? -31.338 -18.680 -47.262 1.00 42.01  ? 108 GLN A N   1 
ATOM   863  C  CA  . GLN A 1 107 ? -32.388 -19.495 -46.655 1.00 40.88  ? 108 GLN A CA  1 
ATOM   864  C  C   . GLN A 1 107 ? -33.641 -19.474 -47.516 1.00 42.61  ? 108 GLN A C   1 
ATOM   865  O  O   . GLN A 1 107 ? -34.222 -20.520 -47.826 1.00 42.31  ? 108 GLN A O   1 
ATOM   866  C  CB  . GLN A 1 107 ? -32.696 -18.981 -45.246 1.00 46.39  ? 108 GLN A CB  1 
ATOM   867  C  CG  . GLN A 1 107 ? -33.292 -19.979 -44.275 1.00 48.18  ? 108 GLN A CG  1 
ATOM   868  C  CD  . GLN A 1 107 ? -32.809 -21.398 -44.505 1.00 61.98  ? 108 GLN A CD  1 
ATOM   869  O  OE1 . GLN A 1 107 ? -33.374 -22.135 -45.326 1.00 61.65  ? 108 GLN A OE1 1 
ATOM   870  N  NE2 . GLN A 1 107 ? -31.733 -21.781 -43.809 1.00 57.79  ? 108 GLN A NE2 1 
ATOM   871  N  N   . ALA A 1 108 ? -34.060 -18.277 -47.926 1.00 47.55  ? 109 ALA A N   1 
ATOM   872  C  CA  . ALA A 1 108 ? -35.230 -18.157 -48.784 1.00 41.42  ? 109 ALA A CA  1 
ATOM   873  C  C   . ALA A 1 108 ? -35.012 -18.879 -50.106 1.00 40.43  ? 109 ALA A C   1 
ATOM   874  O  O   . ALA A 1 108 ? -35.934 -19.505 -50.641 1.00 45.07  ? 109 ALA A O   1 
ATOM   875  C  CB  . ALA A 1 108 ? -35.551 -16.684 -49.011 1.00 26.87  ? 109 ALA A CB  1 
ATOM   876  N  N   . LEU A 1 109 ? -33.794 -18.805 -50.644 1.00 41.41  ? 110 LEU A N   1 
ATOM   877  C  CA  . LEU A 1 109 ? -33.496 -19.478 -51.903 1.00 40.33  ? 110 LEU A CA  1 
ATOM   878  C  C   . LEU A 1 109 ? -33.609 -20.993 -51.758 1.00 44.47  ? 110 LEU A C   1 
ATOM   879  O  O   . LEU A 1 109 ? -34.084 -21.678 -52.672 1.00 41.18  ? 110 LEU A O   1 
ATOM   880  C  CB  . LEU A 1 109 ? -32.097 -19.093 -52.376 1.00 42.73  ? 110 LEU A CB  1 
ATOM   881  C  CG  . LEU A 1 109 ? -31.979 -17.865 -53.260 1.00 41.64  ? 110 LEU A CG  1 
ATOM   882  C  CD1 . LEU A 1 109 ? -30.542 -17.410 -53.297 1.00 44.50  ? 110 LEU A CD1 1 
ATOM   883  C  CD2 . LEU A 1 109 ? -32.471 -18.218 -54.641 1.00 51.06  ? 110 LEU A CD2 1 
ATOM   884  N  N   . LEU A 1 110 ? -33.175 -21.531 -50.612 1.00 41.92  ? 111 LEU A N   1 
ATOM   885  C  CA  . LEU A 1 110 ? -33.186 -22.974 -50.405 1.00 40.52  ? 111 LEU A CA  1 
ATOM   886  C  C   . LEU A 1 110 ? -34.605 -23.486 -50.189 1.00 46.38  ? 111 LEU A C   1 
ATOM   887  O  O   . LEU A 1 110 ? -34.978 -24.545 -50.705 1.00 46.06  ? 111 LEU A O   1 
ATOM   888  C  CB  . LEU A 1 110 ? -32.294 -23.327 -49.214 1.00 47.29  ? 111 LEU A CB  1 
ATOM   889  C  CG  . LEU A 1 110 ? -30.788 -23.133 -49.436 1.00 44.60  ? 111 LEU A CG  1 
ATOM   890  C  CD1 . LEU A 1 110 ? -29.986 -23.435 -48.176 1.00 39.25  ? 111 LEU A CD1 1 
ATOM   891  C  CD2 . LEU A 1 110 ? -30.343 -24.002 -50.585 1.00 40.30  ? 111 LEU A CD2 1 
ATOM   892  N  N   . ASP A 1 111 ? -35.408 -22.748 -49.424 1.00 47.82  ? 112 ASP A N   1 
ATOM   893  C  CA  . ASP A 1 111 ? -36.804 -23.114 -49.258 1.00 39.55  ? 112 ASP A CA  1 
ATOM   894  C  C   . ASP A 1 111 ? -37.532 -23.122 -50.595 1.00 46.13  ? 112 ASP A C   1 
ATOM   895  O  O   . ASP A 1 111 ? -38.313 -24.041 -50.877 1.00 45.30  ? 112 ASP A O   1 
ATOM   896  C  CB  . ASP A 1 111 ? -37.470 -22.151 -48.284 1.00 41.50  ? 112 ASP A CB  1 
ATOM   897  C  CG  . ASP A 1 111 ? -36.957 -22.314 -46.880 1.00 50.10  ? 112 ASP A CG  1 
ATOM   898  O  OD1 . ASP A 1 111 ? -36.178 -23.266 -46.654 1.00 45.50  ? 112 ASP A OD1 1 
ATOM   899  O  OD2 . ASP A 1 111 ? -37.330 -21.491 -46.007 1.00 54.76  ? 112 ASP A OD2 1 
ATOM   900  N  N   . LEU A 1 112 ? -37.293 -22.099 -51.435 1.00 50.76  ? 113 LEU A N   1 
ATOM   901  C  CA  . LEU A 1 112 ? -37.922 -22.061 -52.756 1.00 47.30  ? 113 LEU A CA  1 
ATOM   902  C  C   . LEU A 1 112 ? -37.437 -23.200 -53.627 1.00 45.57  ? 113 LEU A C   1 
ATOM   903  O  O   . LEU A 1 112 ? -38.183 -23.698 -54.473 1.00 45.00  ? 113 LEU A O   1 
ATOM   904  C  CB  . LEU A 1 112 ? -37.648 -20.738 -53.461 1.00 41.76  ? 113 LEU A CB  1 
ATOM   905  C  CG  . LEU A 1 112 ? -38.165 -20.730 -54.904 1.00 46.05  ? 113 LEU A CG  1 
ATOM   906  C  CD1 . LEU A 1 112 ? -39.671 -20.924 -54.949 1.00 50.58  ? 113 LEU A CD1 1 
ATOM   907  C  CD2 . LEU A 1 112 ? -37.786 -19.470 -55.626 1.00 47.69  ? 113 LEU A CD2 1 
ATOM   908  N  N   . HIS A 1 113 ? -36.197 -23.632 -53.431 1.00 47.67  ? 114 HIS A N   1 
ATOM   909  C  CA  . HIS A 1 113 ? -35.747 -24.827 -54.115 1.00 45.76  ? 114 HIS A CA  1 
ATOM   910  C  C   . HIS A 1 113 ? -36.523 -26.044 -53.633 1.00 48.33  ? 114 HIS A C   1 
ATOM   911  O  O   . HIS A 1 113 ? -37.108 -26.776 -54.441 1.00 48.58  ? 114 HIS A O   1 
ATOM   912  C  CB  . HIS A 1 113 ? -34.251 -25.034 -53.918 1.00 43.90  ? 114 HIS A CB  1 
ATOM   913  C  CG  . HIS A 1 113 ? -33.702 -26.084 -54.822 1.00 50.29  ? 114 HIS A CG  1 
ATOM   914  N  ND1 . HIS A 1 113 ? -33.702 -27.420 -54.488 1.00 55.75  ? 114 HIS A ND1 1 
ATOM   915  C  CD2 . HIS A 1 113 ? -33.217 -26.009 -56.083 1.00 52.14  ? 114 HIS A CD2 1 
ATOM   916  C  CE1 . HIS A 1 113 ? -33.213 -28.122 -55.494 1.00 56.37  ? 114 HIS A CE1 1 
ATOM   917  N  NE2 . HIS A 1 113 ? -32.905 -27.289 -56.471 1.00 58.25  ? 114 HIS A NE2 1 
ATOM   918  N  N   . ALA A 1 114 ? -36.532 -26.278 -52.312 1.00 44.76  ? 115 ALA A N   1 
ATOM   919  C  CA  . ALA A 1 114 ? -37.256 -27.418 -51.751 1.00 45.85  ? 115 ALA A CA  1 
ATOM   920  C  C   . ALA A 1 114 ? -38.722 -27.420 -52.180 1.00 48.17  ? 115 ALA A C   1 
ATOM   921  O  O   . ALA A 1 114 ? -39.302 -28.479 -52.451 1.00 44.57  ? 115 ALA A O   1 
ATOM   922  C  CB  . ALA A 1 114 ? -37.144 -27.404 -50.230 1.00 39.04  ? 115 ALA A CB  1 
ATOM   923  N  N   . LEU A 1 115 ? -39.326 -26.236 -52.272 1.00 44.21  ? 116 LEU A N   1 
ATOM   924  C  CA  . LEU A 1 115 ? -40.701 -26.127 -52.747 1.00 48.00  ? 116 LEU A CA  1 
ATOM   925  C  C   . LEU A 1 115 ? -40.840 -26.579 -54.200 1.00 48.47  ? 116 LEU A C   1 
ATOM   926  O  O   . LEU A 1 115 ? -41.684 -27.423 -54.518 1.00 50.15  ? 116 LEU A O   1 
ATOM   927  C  CB  . LEU A 1 115 ? -41.180 -24.683 -52.593 1.00 51.65  ? 116 LEU A CB  1 
ATOM   928  C  CG  . LEU A 1 115 ? -42.647 -24.449 -52.927 1.00 47.30  ? 116 LEU A CG  1 
ATOM   929  C  CD1 . LEU A 1 115 ? -43.488 -25.549 -52.313 1.00 52.80  ? 116 LEU A CD1 1 
ATOM   930  C  CD2 . LEU A 1 115 ? -43.075 -23.103 -52.425 1.00 42.28  ? 116 LEU A CD2 1 
ATOM   931  N  N   . GLY A 1 116 ? -40.048 -25.996 -55.104 1.00 47.29  ? 117 GLY A N   1 
ATOM   932  C  CA  . GLY A 1 116 ? -40.166 -26.344 -56.513 1.00 46.56  ? 117 GLY A CA  1 
ATOM   933  C  C   . GLY A 1 116 ? -39.825 -27.791 -56.789 1.00 49.45  ? 117 GLY A C   1 
ATOM   934  O  O   . GLY A 1 116 ? -40.310 -28.375 -57.761 1.00 52.89  ? 117 GLY A O   1 
ATOM   935  N  N   . SER A 1 117 ? -39.007 -28.394 -55.932 1.00 52.34  ? 118 SER A N   1 
ATOM   936  C  CA  . SER A 1 117 ? -38.650 -29.798 -56.085 1.00 51.36  ? 118 SER A CA  1 
ATOM   937  C  C   . SER A 1 117 ? -39.801 -30.708 -55.670 1.00 47.82  ? 118 SER A C   1 
ATOM   938  O  O   . SER A 1 117 ? -40.154 -31.643 -56.395 1.00 45.26  ? 118 SER A O   1 
ATOM   939  C  CB  . SER A 1 117 ? -37.393 -30.102 -55.268 1.00 52.73  ? 118 SER A CB  1 
ATOM   940  O  OG  . SER A 1 117 ? -37.143 -31.494 -55.228 1.00 65.40  ? 118 SER A OG  1 
ATOM   941  N  N   . ALA A 1 118 ? -40.400 -30.446 -54.505 1.00 49.19  ? 119 ALA A N   1 
ATOM   942  C  CA  . ALA A 1 118 ? -41.598 -31.179 -54.102 1.00 49.32  ? 119 ALA A CA  1 
ATOM   943  C  C   . ALA A 1 118 ? -42.728 -31.018 -55.120 1.00 50.24  ? 119 ALA A C   1 
ATOM   944  O  O   . ALA A 1 118 ? -43.546 -31.931 -55.293 1.00 49.79  ? 119 ALA A O   1 
ATOM   945  C  CB  . ALA A 1 118 ? -42.053 -30.713 -52.717 1.00 43.15  ? 119 ALA A CB  1 
ATOM   946  N  N   . GLN A 1 119 ? -42.794 -29.868 -55.799 1.00 52.84  ? 120 GLN A N   1 
ATOM   947  C  CA  . GLN A 1 119 ? -43.765 -29.639 -56.863 1.00 45.68  ? 120 GLN A CA  1 
ATOM   948  C  C   . GLN A 1 119 ? -43.335 -30.247 -58.197 1.00 52.75  ? 120 GLN A C   1 
ATOM   949  O  O   . GLN A 1 119 ? -44.125 -30.236 -59.147 1.00 62.08  ? 120 GLN A O   1 
ATOM   950  C  CB  . GLN A 1 119 ? -44.001 -28.139 -57.036 1.00 47.37  ? 120 GLN A CB  1 
ATOM   951  C  CG  . GLN A 1 119 ? -44.573 -27.453 -55.814 1.00 46.69  ? 120 GLN A CG  1 
ATOM   952  C  CD  . GLN A 1 119 ? -46.073 -27.667 -55.670 1.00 63.57  ? 120 GLN A CD  1 
ATOM   953  O  OE1 . GLN A 1 119 ? -46.713 -28.276 -56.532 1.00 72.16  ? 120 GLN A OE1 1 
ATOM   954  N  NE2 . GLN A 1 119 ? -46.645 -27.158 -54.578 1.00 65.20  ? 120 GLN A NE2 1 
ATOM   955  N  N   . ALA A 1 120 ? -42.114 -30.780 -58.287 1.00 50.48  ? 121 ALA A N   1 
ATOM   956  C  CA  . ALA A 1 120 ? -41.605 -31.413 -59.504 1.00 47.07  ? 121 ALA A CA  1 
ATOM   957  C  C   . ALA A 1 120 ? -41.498 -30.396 -60.643 1.00 53.00  ? 121 ALA A C   1 
ATOM   958  O  O   . ALA A 1 120 ? -41.973 -30.611 -61.758 1.00 58.77  ? 121 ALA A O   1 
ATOM   959  C  CB  . ALA A 1 120 ? -42.463 -32.613 -59.903 1.00 42.37  ? 121 ALA A CB  1 
ATOM   960  N  N   . ASP A 1 121 ? -40.868 -29.267 -60.346 1.00 48.62  ? 122 ASP A N   1 
ATOM   961  C  CA  . ASP A 1 121 ? -40.635 -28.215 -61.325 1.00 47.27  ? 122 ASP A CA  1 
ATOM   962  C  C   . ASP A 1 121 ? -39.142 -28.201 -61.593 1.00 48.97  ? 122 ASP A C   1 
ATOM   963  O  O   . ASP A 1 121 ? -38.397 -27.468 -60.931 1.00 51.29  ? 122 ASP A O   1 
ATOM   964  C  CB  . ASP A 1 121 ? -41.110 -26.859 -60.801 1.00 51.67  ? 122 ASP A CB  1 
ATOM   965  C  CG  . ASP A 1 121 ? -41.194 -25.805 -61.891 1.00 49.83  ? 122 ASP A CG  1 
ATOM   966  O  OD1 . ASP A 1 121 ? -40.613 -26.025 -62.986 1.00 52.83  ? 122 ASP A OD1 1 
ATOM   967  O  OD2 . ASP A 1 121 ? -41.848 -24.763 -61.640 1.00 42.33  ? 122 ASP A OD2 1 
ATOM   968  N  N   . PRO A 1 122 ? -38.650 -28.996 -62.539 1.00 49.96  ? 123 PRO A N   1 
ATOM   969  C  CA  . PRO A 1 122 ? -37.194 -29.075 -62.717 1.00 48.66  ? 123 PRO A CA  1 
ATOM   970  C  C   . PRO A 1 122 ? -36.601 -27.811 -63.298 1.00 48.47  ? 123 PRO A C   1 
ATOM   971  O  O   . PRO A 1 122 ? -35.431 -27.516 -63.027 1.00 47.57  ? 123 PRO A O   1 
ATOM   972  C  CB  . PRO A 1 122 ? -37.019 -30.275 -63.656 1.00 46.66  ? 123 PRO A CB  1 
ATOM   973  C  CG  . PRO A 1 122 ? -38.319 -30.410 -64.356 1.00 49.80  ? 123 PRO A CG  1 
ATOM   974  C  CD  . PRO A 1 122 ? -39.382 -29.902 -63.440 1.00 50.73  ? 123 PRO A CD  1 
ATOM   975  N  N   . HIS A 1 123 ? -37.378 -27.050 -64.073 1.00 47.43  ? 124 HIS A N   1 
ATOM   976  C  CA  . HIS A 1 123 ? -36.859 -25.816 -64.653 1.00 54.47  ? 124 HIS A CA  1 
ATOM   977  C  C   . HIS A 1 123 ? -36.600 -24.758 -63.575 1.00 57.24  ? 124 HIS A C   1 
ATOM   978  O  O   . HIS A 1 123 ? -35.594 -24.037 -63.632 1.00 51.90  ? 124 HIS A O   1 
ATOM   979  C  CB  . HIS A 1 123 ? -37.834 -25.287 -65.707 1.00 50.95  ? 124 HIS A CB  1 
ATOM   980  C  CG  . HIS A 1 123 ? -37.560 -23.874 -66.118 1.00 62.03  ? 124 HIS A CG  1 
ATOM   981  N  ND1 . HIS A 1 123 ? -36.485 -23.527 -66.912 1.00 66.03  ? 124 HIS A ND1 1 
ATOM   982  C  CD2 . HIS A 1 123 ? -38.190 -22.715 -65.806 1.00 63.02  ? 124 HIS A CD2 1 
ATOM   983  C  CE1 . HIS A 1 123 ? -36.486 -22.217 -67.096 1.00 67.42  ? 124 HIS A CE1 1 
ATOM   984  N  NE2 . HIS A 1 123 ? -37.510 -21.702 -66.438 1.00 61.53  ? 124 HIS A NE2 1 
ATOM   985  N  N   . LEU A 1 124 ? -37.493 -24.651 -62.583 1.00 55.42  ? 125 LEU A N   1 
ATOM   986  C  CA  . LEU A 1 124 ? -37.262 -23.721 -61.481 1.00 53.40  ? 125 LEU A CA  1 
ATOM   987  C  C   . LEU A 1 124 ? -35.990 -24.085 -60.730 1.00 53.54  ? 125 LEU A C   1 
ATOM   988  O  O   . LEU A 1 124 ? -35.168 -23.215 -60.408 1.00 54.56  ? 125 LEU A O   1 
ATOM   989  C  CB  . LEU A 1 124 ? -38.463 -23.715 -60.526 1.00 52.38  ? 125 LEU A CB  1 
ATOM   990  C  CG  . LEU A 1 124 ? -38.298 -22.779 -59.316 1.00 42.30  ? 125 LEU A CG  1 
ATOM   991  C  CD1 . LEU A 1 124 ? -38.426 -21.339 -59.770 1.00 44.82  ? 125 LEU A CD1 1 
ATOM   992  C  CD2 . LEU A 1 124 ? -39.275 -23.063 -58.191 1.00 45.16  ? 125 LEU A CD2 1 
ATOM   993  N  N   . CYS A 1 125 ? -35.823 -25.379 -60.442 1.00 49.96  ? 126 CYS A N   1 
ATOM   994  C  CA  . CYS A 1 125 ? -34.628 -25.867 -59.769 1.00 45.85  ? 126 CYS A CA  1 
ATOM   995  C  C   . CYS A 1 125 ? -33.375 -25.510 -60.548 1.00 51.19  ? 126 CYS A C   1 
ATOM   996  O  O   . CYS A 1 125 ? -32.376 -25.077 -59.969 1.00 57.22  ? 126 CYS A O   1 
ATOM   997  C  CB  . CYS A 1 125 ? -34.732 -27.378 -59.570 1.00 53.09  ? 126 CYS A CB  1 
ATOM   998  S  SG  . CYS A 1 125 ? -36.134 -27.929 -58.504 1.00 72.98  ? 126 CYS A SG  1 
ATOM   999  N  N   . ASP A 1 126 ? -33.412 -25.666 -61.868 1.00 58.87  ? 127 ASP A N   1 
ATOM   1000 C  CA  . ASP A 1 126 ? -32.264 -25.303 -62.690 1.00 55.35  ? 127 ASP A CA  1 
ATOM   1001 C  C   . ASP A 1 126 ? -32.041 -23.793 -62.695 1.00 57.46  ? 127 ASP A C   1 
ATOM   1002 O  O   . ASP A 1 126 ? -30.895 -23.332 -62.679 1.00 59.38  ? 127 ASP A O   1 
ATOM   1003 C  CB  . ASP A 1 126 ? -32.467 -25.867 -64.099 1.00 57.56  ? 127 ASP A CB  1 
ATOM   1004 C  CG  . ASP A 1 126 ? -31.715 -25.096 -65.173 1.00 69.78  ? 127 ASP A CG  1 
ATOM   1005 O  OD1 . ASP A 1 126 ? -32.323 -24.164 -65.776 1.00 76.42  ? 127 ASP A OD1 1 
ATOM   1006 O  OD2 . ASP A 1 126 ? -30.541 -25.433 -65.424 1.00 73.12  ? 127 ASP A OD2 1 
ATOM   1007 N  N   . PHE A 1 127 ? -33.120 -23.008 -62.679 1.00 57.60  ? 128 PHE A N   1 
ATOM   1008 C  CA  . PHE A 1 127 ? -32.980 -21.553 -62.684 1.00 56.65  ? 128 PHE A CA  1 
ATOM   1009 C  C   . PHE A 1 127 ? -32.339 -21.046 -61.400 1.00 54.45  ? 128 PHE A C   1 
ATOM   1010 O  O   . PHE A 1 127 ? -31.500 -20.143 -61.437 1.00 59.27  ? 128 PHE A O   1 
ATOM   1011 C  CB  . PHE A 1 127 ? -34.341 -20.899 -62.885 1.00 58.37  ? 128 PHE A CB  1 
ATOM   1012 C  CG  . PHE A 1 127 ? -34.303 -19.403 -62.864 1.00 58.36  ? 128 PHE A CG  1 
ATOM   1013 C  CD1 . PHE A 1 127 ? -34.000 -18.689 -64.022 1.00 54.04  ? 128 PHE A CD1 1 
ATOM   1014 C  CD2 . PHE A 1 127 ? -34.583 -18.704 -61.689 1.00 55.35  ? 128 PHE A CD2 1 
ATOM   1015 C  CE1 . PHE A 1 127 ? -33.964 -17.301 -64.013 1.00 53.71  ? 128 PHE A CE1 1 
ATOM   1016 C  CE2 . PHE A 1 127 ? -34.549 -17.319 -61.667 1.00 53.70  ? 128 PHE A CE2 1 
ATOM   1017 C  CZ  . PHE A 1 127 ? -34.235 -16.613 -62.834 1.00 54.78  ? 128 PHE A CZ  1 
ATOM   1018 N  N   . LEU A 1 128 ? -32.736 -21.595 -60.254 1.00 55.62  ? 129 LEU A N   1 
ATOM   1019 C  CA  . LEU A 1 128 ? -32.114 -21.197 -58.996 1.00 56.63  ? 129 LEU A CA  1 
ATOM   1020 C  C   . LEU A 1 128 ? -30.675 -21.692 -58.880 1.00 55.03  ? 129 LEU A C   1 
ATOM   1021 O  O   . LEU A 1 128 ? -29.854 -21.056 -58.217 1.00 53.50  ? 129 LEU A O   1 
ATOM   1022 C  CB  . LEU A 1 128 ? -32.933 -21.725 -57.821 1.00 54.30  ? 129 LEU A CB  1 
ATOM   1023 C  CG  . LEU A 1 128 ? -34.386 -21.271 -57.712 1.00 56.38  ? 129 LEU A CG  1 
ATOM   1024 C  CD1 . LEU A 1 128 ? -35.070 -22.061 -56.611 1.00 53.44  ? 129 LEU A CD1 1 
ATOM   1025 C  CD2 . LEU A 1 128 ? -34.455 -19.782 -57.410 1.00 54.17  ? 129 LEU A CD2 1 
ATOM   1026 N  N   . GLU A 1 129 ? -30.348 -22.824 -59.493 1.00 59.23  ? 130 GLU A N   1 
ATOM   1027 C  CA  . GLU A 1 129 ? -29.034 -23.405 -59.250 1.00 63.57  ? 130 GLU A CA  1 
ATOM   1028 C  C   . GLU A 1 129 ? -27.928 -22.659 -59.982 1.00 65.42  ? 130 GLU A C   1 
ATOM   1029 O  O   . GLU A 1 129 ? -26.797 -22.590 -59.482 1.00 74.16  ? 130 GLU A O   1 
ATOM   1030 C  CB  . GLU A 1 129 ? -29.036 -24.884 -59.641 1.00 62.03  ? 130 GLU A CB  1 
ATOM   1031 C  CG  . GLU A 1 129 ? -29.773 -25.774 -58.631 1.00 59.98  ? 130 GLU A CG  1 
ATOM   1032 C  CD  . GLU A 1 129 ? -29.866 -27.224 -59.072 1.00 67.06  ? 130 GLU A CD  1 
ATOM   1033 O  OE1 . GLU A 1 129 ? -29.189 -27.596 -60.053 1.00 76.63  ? 130 GLU A OE1 1 
ATOM   1034 O  OE2 . GLU A 1 129 ? -30.615 -27.995 -58.439 1.00 63.40  ? 130 GLU A OE2 1 
ATOM   1035 N  N   . SER A 1 130 ? -28.238 -22.078 -61.140 1.00 59.72  ? 131 SER A N   1 
ATOM   1036 C  CA  . SER A 1 130 ? -27.246 -21.424 -61.988 1.00 66.57  ? 131 SER A CA  1 
ATOM   1037 C  C   . SER A 1 130 ? -27.081 -19.944 -61.659 1.00 75.01  ? 131 SER A C   1 
ATOM   1038 O  O   . SER A 1 130 ? -25.957 -19.469 -61.455 1.00 86.31  ? 131 SER A O   1 
ATOM   1039 C  CB  . SER A 1 130 ? -27.637 -21.572 -63.460 1.00 67.15  ? 131 SER A CB  1 
ATOM   1040 O  OG  . SER A 1 130 ? -28.154 -22.865 -63.715 1.00 66.98  ? 131 SER A OG  1 
ATOM   1041 N  N   . HIS A 1 131 ? -28.192 -19.207 -61.603 1.00 72.01  ? 132 HIS A N   1 
ATOM   1042 C  CA  . HIS A 1 131 ? -28.163 -17.761 -61.445 1.00 69.45  ? 132 HIS A CA  1 
ATOM   1043 C  C   . HIS A 1 131 ? -28.128 -17.295 -59.992 1.00 63.61  ? 132 HIS A C   1 
ATOM   1044 O  O   . HIS A 1 131 ? -27.873 -16.107 -59.756 1.00 65.08  ? 132 HIS A O   1 
ATOM   1045 C  CB  . HIS A 1 131 ? -29.374 -17.117 -62.142 1.00 67.74  ? 132 HIS A CB  1 
ATOM   1046 C  CG  . HIS A 1 131 ? -29.539 -17.505 -63.583 1.00 73.46  ? 132 HIS A CG  1 
ATOM   1047 N  ND1 . HIS A 1 131 ? -29.574 -18.815 -64.011 1.00 76.70  ? 132 HIS A ND1 1 
ATOM   1048 C  CD2 . HIS A 1 131 ? -29.665 -16.745 -64.699 1.00 75.19  ? 132 HIS A CD2 1 
ATOM   1049 C  CE1 . HIS A 1 131 ? -29.728 -18.847 -65.323 1.00 85.23  ? 132 HIS A CE1 1 
ATOM   1050 N  NE2 . HIS A 1 131 ? -29.784 -17.604 -65.766 1.00 87.32  ? 132 HIS A NE2 1 
ATOM   1051 N  N   . PHE A 1 132 ? -28.377 -18.178 -59.017 1.00 54.74  ? 133 PHE A N   1 
ATOM   1052 C  CA  . PHE A 1 132 ? -28.526 -17.717 -57.640 1.00 51.44  ? 133 PHE A CA  1 
ATOM   1053 C  C   . PHE A 1 132 ? -27.782 -18.556 -56.613 1.00 55.16  ? 133 PHE A C   1 
ATOM   1054 O  O   . PHE A 1 132 ? -27.024 -18.014 -55.806 1.00 57.70  ? 133 PHE A O   1 
ATOM   1055 C  CB  . PHE A 1 132 ? -30.001 -17.662 -57.253 1.00 46.50  ? 133 PHE A CB  1 
ATOM   1056 C  CG  . PHE A 1 132 ? -30.733 -16.532 -57.890 1.00 54.12  ? 133 PHE A CG  1 
ATOM   1057 C  CD1 . PHE A 1 132 ? -30.588 -15.244 -57.410 1.00 46.86  ? 133 PHE A CD1 1 
ATOM   1058 C  CD2 . PHE A 1 132 ? -31.539 -16.747 -58.996 1.00 53.78  ? 133 PHE A CD2 1 
ATOM   1059 C  CE1 . PHE A 1 132 ? -31.249 -14.192 -58.015 1.00 48.62  ? 133 PHE A CE1 1 
ATOM   1060 C  CE2 . PHE A 1 132 ? -32.199 -15.702 -59.596 1.00 50.32  ? 133 PHE A CE2 1 
ATOM   1061 C  CZ  . PHE A 1 132 ? -32.056 -14.424 -59.105 1.00 49.29  ? 133 PHE A CZ  1 
ATOM   1062 N  N   . LEU A 1 133 ? -28.000 -19.873 -56.623 1.00 60.90  ? 134 LEU A N   1 
ATOM   1063 C  CA  . LEU A 1 133 ? -27.510 -20.709 -55.533 1.00 52.90  ? 134 LEU A CA  1 
ATOM   1064 C  C   . LEU A 1 133 ? -26.008 -20.583 -55.368 1.00 50.90  ? 134 LEU A C   1 
ATOM   1065 O  O   . LEU A 1 133 ? -25.511 -20.518 -54.242 1.00 49.58  ? 134 LEU A O   1 
ATOM   1066 C  CB  . LEU A 1 133 ? -27.930 -22.154 -55.772 1.00 47.49  ? 134 LEU A CB  1 
ATOM   1067 C  CG  . LEU A 1 133 ? -29.036 -22.580 -54.810 1.00 46.22  ? 134 LEU A CG  1 
ATOM   1068 C  CD1 . LEU A 1 133 ? -30.170 -21.580 -54.794 1.00 51.26  ? 134 LEU A CD1 1 
ATOM   1069 C  CD2 . LEU A 1 133 ? -29.575 -23.939 -55.217 1.00 51.54  ? 134 LEU A CD2 1 
ATOM   1070 N  N   . ASP A 1 134 ? -25.271 -20.485 -56.475 1.00 60.76  ? 135 ASP A N   1 
ATOM   1071 C  CA  . ASP A 1 134 ? -23.816 -20.494 -56.368 1.00 63.34  ? 135 ASP A CA  1 
ATOM   1072 C  C   . ASP A 1 134 ? -23.256 -19.106 -56.062 1.00 60.35  ? 135 ASP A C   1 
ATOM   1073 O  O   . ASP A 1 134 ? -22.333 -18.987 -55.246 1.00 60.44  ? 135 ASP A O   1 
ATOM   1074 C  CB  . ASP A 1 134 ? -23.193 -21.078 -57.638 1.00 60.89  ? 135 ASP A CB  1 
ATOM   1075 C  CG  . ASP A 1 134 ? -21.691 -21.324 -57.486 1.00 74.07  ? 135 ASP A CG  1 
ATOM   1076 O  OD1 . ASP A 1 134 ? -20.895 -20.425 -57.836 1.00 81.89  ? 135 ASP A OD1 1 
ATOM   1077 O  OD2 . ASP A 1 134 ? -21.296 -22.398 -56.975 1.00 80.88  ? 135 ASP A OD2 1 
ATOM   1078 N  N   . GLU A 1 135 ? -23.799 -18.050 -56.690 1.00 56.99  ? 136 GLU A N   1 
ATOM   1079 C  CA  . GLU A 1 135 ? -23.432 -16.676 -56.325 1.00 57.03  ? 136 GLU A CA  1 
ATOM   1080 C  C   . GLU A 1 135 ? -23.594 -16.436 -54.819 1.00 61.10  ? 136 GLU A C   1 
ATOM   1081 O  O   . GLU A 1 135 ? -22.762 -15.773 -54.185 1.00 54.41  ? 136 GLU A O   1 
ATOM   1082 C  CB  . GLU A 1 135 ? -24.283 -15.653 -57.106 1.00 62.27  ? 136 GLU A CB  1 
ATOM   1083 C  CG  . GLU A 1 135 ? -24.315 -15.775 -58.664 1.00 78.58  ? 136 GLU A CG  1 
ATOM   1084 C  CD  . GLU A 1 135 ? -22.944 -15.686 -59.345 1.00 88.79  ? 136 GLU A CD  1 
ATOM   1085 O  OE1 . GLU A 1 135 ? -22.309 -14.604 -59.279 1.00 84.10  ? 136 GLU A OE1 1 
ATOM   1086 O  OE2 . GLU A 1 135 ? -22.507 -16.702 -59.950 1.00 87.20  ? 136 GLU A OE2 1 
ATOM   1087 N  N   . GLU A 1 136 ? -24.655 -16.982 -54.226 1.00 61.05  ? 137 GLU A N   1 
ATOM   1088 C  CA  . GLU A 1 136 ? -24.927 -16.738 -52.815 1.00 49.28  ? 137 GLU A CA  1 
ATOM   1089 C  C   . GLU A 1 136 ? -23.902 -17.417 -51.911 1.00 48.05  ? 137 GLU A C   1 
ATOM   1090 O  O   . GLU A 1 136 ? -23.604 -16.904 -50.828 1.00 49.79  ? 137 GLU A O   1 
ATOM   1091 C  CB  . GLU A 1 136 ? -26.340 -17.215 -52.489 1.00 50.49  ? 137 GLU A CB  1 
ATOM   1092 C  CG  . GLU A 1 136 ? -27.016 -16.501 -51.346 1.00 51.31  ? 137 GLU A CG  1 
ATOM   1093 C  CD  . GLU A 1 136 ? -27.067 -15.013 -51.554 1.00 52.48  ? 137 GLU A CD  1 
ATOM   1094 O  OE1 . GLU A 1 136 ? -27.350 -14.564 -52.692 1.00 48.29  ? 137 GLU A OE1 1 
ATOM   1095 O  OE2 . GLU A 1 136 ? -26.828 -14.300 -50.557 1.00 51.43  ? 137 GLU A OE2 1 
ATOM   1096 N  N   . VAL A 1 137 ? -23.359 -18.565 -52.327 1.00 44.05  ? 138 VAL A N   1 
ATOM   1097 C  CA  . VAL A 1 137 ? -22.355 -19.240 -51.509 1.00 42.91  ? 138 VAL A CA  1 
ATOM   1098 C  C   . VAL A 1 137 ? -21.003 -18.547 -51.642 1.00 48.15  ? 138 VAL A C   1 
ATOM   1099 O  O   . VAL A 1 137 ? -20.291 -18.345 -50.646 1.00 45.18  ? 138 VAL A O   1 
ATOM   1100 C  CB  . VAL A 1 137 ? -22.282 -20.732 -51.886 1.00 42.70  ? 138 VAL A CB  1 
ATOM   1101 C  CG1 . VAL A 1 137 ? -20.836 -21.248 -51.852 1.00 44.13  ? 138 VAL A CG1 1 
ATOM   1102 C  CG2 . VAL A 1 137 ? -23.150 -21.530 -50.975 1.00 34.98  ? 138 VAL A CG2 1 
ATOM   1103 N  N   . LYS A 1 138 ? -20.633 -18.167 -52.870 1.00 47.65  ? 139 LYS A N   1 
ATOM   1104 C  CA  . LYS A 1 138 ? -19.398 -17.420 -53.090 1.00 47.26  ? 139 LYS A CA  1 
ATOM   1105 C  C   . LYS A 1 138 ? -19.380 -16.153 -52.252 1.00 43.73  ? 139 LYS A C   1 
ATOM   1106 O  O   . LYS A 1 138 ? -18.389 -15.842 -51.582 1.00 44.96  ? 139 LYS A O   1 
ATOM   1107 C  CB  . LYS A 1 138 ? -19.257 -17.064 -54.569 1.00 45.21  ? 139 LYS A CB  1 
ATOM   1108 C  CG  . LYS A 1 138 ? -18.223 -17.874 -55.336 1.00 54.44  ? 139 LYS A CG  1 
ATOM   1109 C  CD  . LYS A 1 138 ? -18.695 -18.157 -56.765 1.00 64.94  ? 139 LYS A CD  1 
ATOM   1110 C  CE  . LYS A 1 138 ? -17.607 -18.802 -57.615 1.00 75.15  ? 139 LYS A CE  1 
ATOM   1111 N  NZ  . LYS A 1 138 ? -17.209 -20.142 -57.077 1.00 71.67  ? 139 LYS A NZ  1 
ATOM   1112 N  N   . LEU A 1 139 ? -20.492 -15.422 -52.270 1.00 50.80  ? 140 LEU A N   1 
ATOM   1113 C  CA  . LEU A 1 139 ? -20.587 -14.127 -51.605 1.00 45.84  ? 140 LEU A CA  1 
ATOM   1114 C  C   . LEU A 1 139 ? -20.455 -14.259 -50.091 1.00 45.83  ? 140 LEU A C   1 
ATOM   1115 O  O   . LEU A 1 139 ? -19.733 -13.490 -49.449 1.00 46.68  ? 140 LEU A O   1 
ATOM   1116 C  CB  . LEU A 1 139 ? -21.919 -13.486 -51.983 1.00 46.04  ? 140 LEU A CB  1 
ATOM   1117 C  CG  . LEU A 1 139 ? -22.133 -12.071 -51.487 1.00 46.80  ? 140 LEU A CG  1 
ATOM   1118 C  CD1 . LEU A 1 139 ? -21.169 -11.101 -52.169 1.00 55.20  ? 140 LEU A CD1 1 
ATOM   1119 C  CD2 . LEU A 1 139 ? -23.599 -11.639 -51.613 1.00 45.69  ? 140 LEU A CD2 1 
ATOM   1120 N  N   . ILE A 1 140 ? -21.167 -15.221 -49.504 1.00 42.94  ? 141 ILE A N   1 
ATOM   1121 C  CA  . ILE A 1 140 ? -21.099 -15.415 -48.064 1.00 43.95  ? 141 ILE A CA  1 
ATOM   1122 C  C   . ILE A 1 140 ? -19.684 -15.793 -47.643 1.00 47.89  ? 141 ILE A C   1 
ATOM   1123 O  O   . ILE A 1 140 ? -19.187 -15.328 -46.609 1.00 52.08  ? 141 ILE A O   1 
ATOM   1124 C  CB  . ILE A 1 140 ? -22.131 -16.468 -47.634 1.00 45.14  ? 141 ILE A CB  1 
ATOM   1125 C  CG1 . ILE A 1 140 ? -23.534 -15.901 -47.791 1.00 44.26  ? 141 ILE A CG1 1 
ATOM   1126 C  CG2 . ILE A 1 140 ? -21.893 -16.903 -46.206 1.00 41.02  ? 141 ILE A CG2 1 
ATOM   1127 C  CD1 . ILE A 1 140 ? -24.590 -16.962 -47.783 1.00 49.12  ? 141 ILE A CD1 1 
ATOM   1128 N  N   . LYS A 1 141 ? -19.011 -16.634 -48.433 1.00 45.57  ? 142 LYS A N   1 
ATOM   1129 C  CA  . LYS A 1 141 ? -17.611 -16.945 -48.152 1.00 45.65  ? 142 LYS A CA  1 
ATOM   1130 C  C   . LYS A 1 141 ? -16.758 -15.677 -48.196 1.00 46.15  ? 142 LYS A C   1 
ATOM   1131 O  O   . LYS A 1 141 ? -16.034 -15.364 -47.242 1.00 47.77  ? 142 LYS A O   1 
ATOM   1132 C  CB  . LYS A 1 141 ? -17.103 -17.997 -49.146 1.00 46.17  ? 142 LYS A CB  1 
ATOM   1133 C  CG  . LYS A 1 141 ? -15.599 -18.227 -49.160 1.00 38.99  ? 142 LYS A CG  1 
ATOM   1134 C  CD  . LYS A 1 141 ? -15.085 -18.870 -47.869 1.00 41.52  ? 142 LYS A CD  1 
ATOM   1135 C  CE  . LYS A 1 141 ? -13.595 -19.224 -47.973 1.00 44.09  ? 142 LYS A CE  1 
ATOM   1136 N  NZ  . LYS A 1 141 ? -12.717 -18.025 -47.840 1.00 42.97  ? 142 LYS A NZ  1 
ATOM   1137 N  N   . LYS A 1 142 ? -16.877 -14.905 -49.277 1.00 44.76  ? 143 LYS A N   1 
ATOM   1138 C  CA  . LYS A 1 142 ? -16.125 -13.659 -49.392 1.00 46.49  ? 143 LYS A CA  1 
ATOM   1139 C  C   . LYS A 1 142 ? -16.419 -12.715 -48.226 1.00 47.55  ? 143 LYS A C   1 
ATOM   1140 O  O   . LYS A 1 142 ? -15.506 -12.076 -47.680 1.00 49.51  ? 143 LYS A O   1 
ATOM   1141 C  CB  . LYS A 1 142 ? -16.449 -12.998 -50.729 1.00 45.28  ? 143 LYS A CB  1 
ATOM   1142 C  CG  . LYS A 1 142 ? -15.630 -11.768 -51.047 1.00 53.53  ? 143 LYS A CG  1 
ATOM   1143 C  CD  . LYS A 1 142 ? -16.424 -10.866 -51.968 1.00 62.29  ? 143 LYS A CD  1 
ATOM   1144 C  CE  . LYS A 1 142 ? -15.780 -10.715 -53.336 1.00 80.27  ? 143 LYS A CE  1 
ATOM   1145 N  NZ  . LYS A 1 142 ? -16.567 -9.772  -54.202 1.00 86.10  ? 143 LYS A NZ  1 
ATOM   1146 N  N   . MET A 1 143 ? -17.683 -12.625 -47.820 1.00 45.86  ? 144 MET A N   1 
ATOM   1147 C  CA  . MET A 1 143 ? -18.029 -11.790 -46.676 1.00 46.95  ? 144 MET A CA  1 
ATOM   1148 C  C   . MET A 1 143 ? -17.413 -12.322 -45.389 1.00 49.44  ? 144 MET A C   1 
ATOM   1149 O  O   . MET A 1 143 ? -16.981 -11.539 -44.537 1.00 45.32  ? 144 MET A O   1 
ATOM   1150 C  CB  . MET A 1 143 ? -19.543 -11.694 -46.541 1.00 42.25  ? 144 MET A CB  1 
ATOM   1151 C  CG  . MET A 1 143 ? -20.045 -10.296 -46.681 1.00 47.08  ? 144 MET A CG  1 
ATOM   1152 S  SD  . MET A 1 143 ? -21.821 -10.241 -46.876 1.00 55.14  ? 144 MET A SD  1 
ATOM   1153 C  CE  . MET A 1 143 ? -21.916 -10.726 -48.541 1.00 52.01  ? 144 MET A CE  1 
ATOM   1154 N  N   . GLY A 1 144 ? -17.378 -13.647 -45.223 1.00 51.66  ? 145 GLY A N   1 
ATOM   1155 C  CA  . GLY A 1 144 ? -16.757 -14.212 -44.037 1.00 48.55  ? 145 GLY A CA  1 
ATOM   1156 C  C   . GLY A 1 144 ? -15.273 -13.911 -43.972 1.00 50.19  ? 145 GLY A C   1 
ATOM   1157 O  O   . GLY A 1 144 ? -14.745 -13.578 -42.905 1.00 51.32  ? 145 GLY A O   1 
ATOM   1158 N  N   . ASP A 1 145 ? -14.581 -14.043 -45.109 1.00 44.16  ? 146 ASP A N   1 
ATOM   1159 C  CA  . ASP A 1 145 ? -13.185 -13.614 -45.200 1.00 45.79  ? 146 ASP A CA  1 
ATOM   1160 C  C   . ASP A 1 145 ? -13.014 -12.203 -44.652 1.00 50.61  ? 146 ASP A C   1 
ATOM   1161 O  O   . ASP A 1 145 ? -12.128 -11.941 -43.829 1.00 48.56  ? 146 ASP A O   1 
ATOM   1162 C  CB  . ASP A 1 145 ? -12.708 -13.647 -46.655 1.00 48.24  ? 146 ASP A CB  1 
ATOM   1163 C  CG  . ASP A 1 145 ? -12.451 -15.041 -47.177 1.00 48.67  ? 146 ASP A CG  1 
ATOM   1164 O  OD1 . ASP A 1 145 ? -12.822 -16.045 -46.519 1.00 45.45  ? 146 ASP A OD1 1 
ATOM   1165 O  OD2 . ASP A 1 145 ? -11.866 -15.119 -48.277 1.00 56.89  ? 146 ASP A OD2 1 
ATOM   1166 N  N   . HIS A 1 146 ? -13.858 -11.274 -45.117 1.00 52.28  ? 147 HIS A N   1 
ATOM   1167 C  CA  . HIS A 1 146 ? -13.777 -9.890  -44.660 1.00 44.12  ? 147 HIS A CA  1 
ATOM   1168 C  C   . HIS A 1 146 ? -13.959 -9.781  -43.158 1.00 43.18  ? 147 HIS A C   1 
ATOM   1169 O  O   . HIS A 1 146 ? -13.257 -9.010  -42.496 1.00 44.95  ? 147 HIS A O   1 
ATOM   1170 C  CB  . HIS A 1 146 ? -14.824 -9.060  -45.366 1.00 44.27  ? 147 HIS A CB  1 
ATOM   1171 C  CG  . HIS A 1 146 ? -14.507 -8.820  -46.798 1.00 47.11  ? 147 HIS A CG  1 
ATOM   1172 N  ND1 . HIS A 1 146 ? -13.254 -9.052  -47.317 1.00 45.30  ? 147 HIS A ND1 1 
ATOM   1173 C  CD2 . HIS A 1 146 ? -15.263 -8.356  -47.819 1.00 43.41  ? 147 HIS A CD2 1 
ATOM   1174 C  CE1 . HIS A 1 146 ? -13.253 -8.746  -48.600 1.00 45.65  ? 147 HIS A CE1 1 
ATOM   1175 N  NE2 . HIS A 1 146 ? -14.461 -8.325  -48.930 1.00 45.52  ? 147 HIS A NE2 1 
ATOM   1176 N  N   . LEU A 1 147 ? -14.904 -10.536 -42.605 1.00 41.72  ? 148 LEU A N   1 
ATOM   1177 C  CA  . LEU A 1 147 ? -15.119 -10.489 -41.166 1.00 45.96  ? 148 LEU A CA  1 
ATOM   1178 C  C   . LEU A 1 147 ? -13.883 -10.941 -40.416 1.00 46.84  ? 148 LEU A C   1 
ATOM   1179 O  O   . LEU A 1 147 ? -13.491 -10.324 -39.422 1.00 55.09  ? 148 LEU A O   1 
ATOM   1180 C  CB  . LEU A 1 147 ? -16.311 -11.349 -40.785 1.00 50.09  ? 148 LEU A CB  1 
ATOM   1181 C  CG  . LEU A 1 147 ? -17.592 -10.544 -40.689 1.00 50.23  ? 148 LEU A CG  1 
ATOM   1182 C  CD1 . LEU A 1 147 ? -18.804 -11.455 -40.631 1.00 55.53  ? 148 LEU A CD1 1 
ATOM   1183 C  CD2 . LEU A 1 147 ? -17.479 -9.747  -39.433 1.00 56.44  ? 148 LEU A CD2 1 
ATOM   1184 N  N   . THR A 1 148 ? -13.245 -12.007 -40.878 1.00 45.98  ? 149 THR A N   1 
ATOM   1185 C  CA  . THR A 1 148 ? -12.066 -12.475 -40.169 1.00 49.15  ? 149 THR A CA  1 
ATOM   1186 C  C   . THR A 1 148 ? -10.957 -11.437 -40.228 1.00 46.83  ? 149 THR A C   1 
ATOM   1187 O  O   . THR A 1 148 ? -10.266 -11.200 -39.229 1.00 45.76  ? 149 THR A O   1 
ATOM   1188 C  CB  . THR A 1 148 ? -11.603 -13.813 -40.739 1.00 44.62  ? 149 THR A CB  1 
ATOM   1189 O  OG1 . THR A 1 148 ? -12.604 -14.791 -40.467 1.00 46.55  ? 149 THR A OG1 1 
ATOM   1190 C  CG2 . THR A 1 148 ? -10.300 -14.261 -40.082 1.00 40.42  ? 149 THR A CG2 1 
ATOM   1191 N  N   . ASN A 1 149 ? -10.797 -10.781 -41.377 1.00 46.71  ? 150 ASN A N   1 
ATOM   1192 C  CA  . ASN A 1 149 ? -9.735  -9.791  -41.505 1.00 48.03  ? 150 ASN A CA  1 
ATOM   1193 C  C   . ASN A 1 149 ? -10.055 -8.508  -40.750 1.00 51.91  ? 150 ASN A C   1 
ATOM   1194 O  O   . ASN A 1 149 ? -9.138  -7.850  -40.253 1.00 54.65  ? 150 ASN A O   1 
ATOM   1195 C  CB  . ASN A 1 149 ? -9.456  -9.492  -42.975 1.00 47.44  ? 150 ASN A CB  1 
ATOM   1196 C  CG  . ASN A 1 149 ? -8.550  -10.538 -43.620 1.00 50.82  ? 150 ASN A CG  1 
ATOM   1197 O  OD1 . ASN A 1 149 ? -7.343  -10.319 -43.786 1.00 49.28  ? 150 ASN A OD1 1 
ATOM   1198 N  ND2 . ASN A 1 149 ? -9.129  -11.685 -43.979 1.00 40.72  ? 150 ASN A ND2 1 
ATOM   1199 N  N   . ILE A 1 150 ? -11.332 -8.142  -40.623 1.00 54.24  ? 151 ILE A N   1 
ATOM   1200 C  CA  . ILE A 1 150 ? -11.660 -6.959  -39.838 1.00 49.09  ? 151 ILE A CA  1 
ATOM   1201 C  C   . ILE A 1 150 ? -11.437 -7.253  -38.362 1.00 54.05  ? 151 ILE A C   1 
ATOM   1202 O  O   . ILE A 1 150 ? -10.845 -6.455  -37.627 1.00 60.33  ? 151 ILE A O   1 
ATOM   1203 C  CB  . ILE A 1 150 ? -13.108 -6.513  -40.108 1.00 49.99  ? 151 ILE A CB  1 
ATOM   1204 C  CG1 . ILE A 1 150 ? -13.195 -5.687  -41.386 1.00 49.58  ? 151 ILE A CG1 1 
ATOM   1205 C  CG2 . ILE A 1 150 ? -13.550 -5.563  -39.030 1.00 48.53  ? 151 ILE A CG2 1 
ATOM   1206 C  CD1 . ILE A 1 150 ? -14.587 -5.665  -41.965 1.00 44.61  ? 151 ILE A CD1 1 
ATOM   1207 N  N   . GLN A 1 151 ? -11.909 -8.412  -37.907 1.00 52.42  ? 152 GLN A N   1 
ATOM   1208 C  CA  . GLN A 1 151 ? -11.767 -8.760  -36.501 1.00 54.47  ? 152 GLN A CA  1 
ATOM   1209 C  C   . GLN A 1 151 ? -10.301 -8.811  -36.101 1.00 58.02  ? 152 GLN A C   1 
ATOM   1210 O  O   . GLN A 1 151 ? -9.944  -8.438  -34.978 1.00 63.55  ? 152 GLN A O   1 
ATOM   1211 C  CB  . GLN A 1 151 ? -12.465 -10.090 -36.238 1.00 47.37  ? 152 GLN A CB  1 
ATOM   1212 C  CG  . GLN A 1 151 ? -13.780 -9.930  -35.513 1.00 65.13  ? 152 GLN A CG  1 
ATOM   1213 C  CD  . GLN A 1 151 ? -14.816 -10.976 -35.921 1.00 75.40  ? 152 GLN A CD  1 
ATOM   1214 O  OE1 . GLN A 1 151 ? -14.570 -11.809 -36.810 1.00 63.93  ? 152 GLN A OE1 1 
ATOM   1215 N  NE2 . GLN A 1 151 ? -15.983 -10.945 -35.258 1.00 68.70  ? 152 GLN A NE2 1 
ATOM   1216 N  N   . ARG A 1 152 ? -9.434  -9.242  -37.021 1.00 55.91  ? 153 ARG A N   1 
ATOM   1217 C  CA  . ARG A 1 152 ? -7.995  -9.214  -36.776 1.00 54.79  ? 153 ARG A CA  1 
ATOM   1218 C  C   . ARG A 1 152 ? -7.503  -7.785  -36.590 1.00 56.02  ? 153 ARG A C   1 
ATOM   1219 O  O   . ARG A 1 152 ? -6.743  -7.490  -35.663 1.00 61.49  ? 153 ARG A O   1 
ATOM   1220 C  CB  . ARG A 1 152 ? -7.257  -9.865  -37.947 1.00 57.99  ? 153 ARG A CB  1 
ATOM   1221 C  CG  . ARG A 1 152 ? -6.581  -11.180 -37.665 1.00 60.92  ? 153 ARG A CG  1 
ATOM   1222 C  CD  . ARG A 1 152 ? -5.514  -11.430 -38.719 1.00 55.88  ? 153 ARG A CD  1 
ATOM   1223 N  NE  . ARG A 1 152 ? -6.127  -11.785 -39.991 1.00 52.15  ? 153 ARG A NE  1 
ATOM   1224 C  CZ  . ARG A 1 152 ? -6.303  -13.032 -40.406 1.00 49.72  ? 153 ARG A CZ  1 
ATOM   1225 N  NH1 . ARG A 1 152 ? -5.907  -14.061 -39.678 1.00 53.13  ? 153 ARG A NH1 1 
ATOM   1226 N  NH2 . ARG A 1 152 ? -6.892  -13.251 -41.580 1.00 47.98  ? 153 ARG A NH2 1 
ATOM   1227 N  N   . LEU A 1 153 ? -7.922  -6.883  -37.479 1.00 57.35  ? 154 LEU A N   1 
ATOM   1228 C  CA  . LEU A 1 153 ? -7.405  -5.521  -37.457 1.00 56.15  ? 154 LEU A CA  1 
ATOM   1229 C  C   . LEU A 1 153 ? -7.991  -4.704  -36.307 1.00 59.50  ? 154 LEU A C   1 
ATOM   1230 O  O   . LEU A 1 153 ? -7.250  -3.996  -35.618 1.00 65.07  ? 154 LEU A O   1 
ATOM   1231 C  CB  . LEU A 1 153 ? -7.666  -4.849  -38.804 1.00 51.78  ? 154 LEU A CB  1 
ATOM   1232 C  CG  . LEU A 1 153 ? -6.965  -5.475  -40.010 1.00 46.65  ? 154 LEU A CG  1 
ATOM   1233 C  CD1 . LEU A 1 153 ? -7.422  -4.857  -41.310 1.00 41.67  ? 154 LEU A CD1 1 
ATOM   1234 C  CD2 . LEU A 1 153 ? -5.485  -5.296  -39.880 1.00 53.54  ? 154 LEU A CD2 1 
ATOM   1235 N  N   . VAL A 1 154 ? -9.308  -4.801  -36.075 1.00 67.12  ? 155 VAL A N   1 
ATOM   1236 C  CA  . VAL A 1 154 ? -9.977  -4.053  -35.005 1.00 71.66  ? 155 VAL A CA  1 
ATOM   1237 C  C   . VAL A 1 154 ? -9.438  -4.432  -33.630 1.00 70.24  ? 155 VAL A C   1 
ATOM   1238 O  O   . VAL A 1 154 ? -9.526  -3.635  -32.688 1.00 68.27  ? 155 VAL A O   1 
ATOM   1239 C  CB  . VAL A 1 154 ? -11.506 -4.271  -35.099 1.00 62.28  ? 155 VAL A CB  1 
ATOM   1240 C  CG1 . VAL A 1 154 ? -12.201 -4.074  -33.750 1.00 60.68  ? 155 VAL A CG1 1 
ATOM   1241 C  CG2 . VAL A 1 154 ? -12.096 -3.345  -36.141 1.00 62.79  ? 155 VAL A CG2 1 
ATOM   1242 N  N   . GLY A 1 155 ? -8.839  -5.618  -33.515 1.00 69.25  ? 156 GLY A N   1 
ATOM   1243 C  CA  . GLY A 1 155 ? -8.226  -6.149  -32.308 1.00 80.24  ? 156 GLY A CA  1 
ATOM   1244 C  C   . GLY A 1 155 ? -7.648  -5.170  -31.304 1.00 96.21  ? 156 GLY A C   1 
ATOM   1245 O  O   . GLY A 1 155 ? -8.173  -5.049  -30.190 1.00 98.52  ? 156 GLY A O   1 
ATOM   1246 N  N   . SER A 1 156 ? -6.568  -4.471  -31.662 1.00 95.46  ? 157 SER A N   1 
ATOM   1247 C  CA  . SER A 1 156 ? -5.991  -3.465  -30.778 1.00 100.49 ? 157 SER A CA  1 
ATOM   1248 C  C   . SER A 1 156 ? -6.315  -2.052  -31.240 1.00 94.45  ? 157 SER A C   1 
ATOM   1249 O  O   . SER A 1 156 ? -6.895  -1.265  -30.482 1.00 94.07  ? 157 SER A O   1 
ATOM   1250 C  CB  . SER A 1 156 ? -4.471  -3.653  -30.656 1.00 104.95 ? 157 SER A CB  1 
ATOM   1251 O  OG  . SER A 1 156 ? -4.018  -3.235  -29.373 1.00 106.00 ? 157 SER A OG  1 
ATOM   1252 N  N   . GLN A 1 157 ? -5.955  -1.700  -32.470 1.00 90.26  ? 158 GLN A N   1 
ATOM   1253 C  CA  . GLN A 1 157 ? -6.217  -0.366  -32.999 1.00 86.38  ? 158 GLN A CA  1 
ATOM   1254 C  C   . GLN A 1 157 ? -7.472  -0.433  -33.859 1.00 79.34  ? 158 GLN A C   1 
ATOM   1255 O  O   . GLN A 1 157 ? -7.413  -0.763  -35.047 1.00 74.34  ? 158 GLN A O   1 
ATOM   1256 C  CB  . GLN A 1 157 ? -5.010  0.155   -33.768 1.00 81.98  ? 158 GLN A CB  1 
ATOM   1257 C  CG  . GLN A 1 157 ? -3.694  -0.123  -33.058 1.00 87.34  ? 158 GLN A CG  1 
ATOM   1258 C  CD  . GLN A 1 157 ? -3.547  0.669   -31.765 1.00 97.03  ? 158 GLN A CD  1 
ATOM   1259 O  OE1 . GLN A 1 157 ? -4.380  1.521   -31.440 1.00 93.26  ? 158 GLN A OE1 1 
ATOM   1260 N  NE2 . GLN A 1 157 ? -2.472  0.400   -31.027 1.00 94.82  ? 158 GLN A NE2 1 
ATOM   1261 N  N   . ALA A 1 158 ? -8.612  -0.125  -33.235 1.00 81.70  ? 159 ALA A N   1 
ATOM   1262 C  CA  . ALA A 1 158 ? -9.894  -0.151  -33.929 1.00 72.56  ? 159 ALA A CA  1 
ATOM   1263 C  C   . ALA A 1 158 ? -9.931  0.868   -35.067 1.00 71.93  ? 159 ALA A C   1 
ATOM   1264 O  O   . ALA A 1 158 ? -10.298 0.536   -36.204 1.00 71.77  ? 159 ALA A O   1 
ATOM   1265 C  CB  . ALA A 1 158 ? -11.015 0.104   -32.925 1.00 63.53  ? 159 ALA A CB  1 
ATOM   1266 N  N   . GLY A 1 159 ? -9.547  2.116   -34.783 1.00 72.76  ? 160 GLY A N   1 
ATOM   1267 C  CA  . GLY A 1 159 ? -9.604  3.148   -35.808 1.00 68.96  ? 160 GLY A CA  1 
ATOM   1268 C  C   . GLY A 1 159 ? -8.580  2.941   -36.909 1.00 65.59  ? 160 GLY A C   1 
ATOM   1269 O  O   . GLY A 1 159 ? -8.861  3.190   -38.088 1.00 63.87  ? 160 GLY A O   1 
ATOM   1270 N  N   . LEU A 1 160 ? -7.382  2.476   -36.545 1.00 62.56  ? 161 LEU A N   1 
ATOM   1271 C  CA  . LEU A 1 160 ? -6.365  2.230   -37.559 1.00 59.68  ? 161 LEU A CA  1 
ATOM   1272 C  C   . LEU A 1 160 ? -6.732  1.042   -38.441 1.00 55.20  ? 161 LEU A C   1 
ATOM   1273 O  O   . LEU A 1 160 ? -6.551  1.093   -39.663 1.00 53.31  ? 161 LEU A O   1 
ATOM   1274 C  CB  . LEU A 1 160 ? -5.011  2.012   -36.898 1.00 56.43  ? 161 LEU A CB  1 
ATOM   1275 C  CG  . LEU A 1 160 ? -3.825  2.022   -37.864 1.00 52.22  ? 161 LEU A CG  1 
ATOM   1276 C  CD1 . LEU A 1 160 ? -3.267  3.426   -37.992 1.00 58.69  ? 161 LEU A CD1 1 
ATOM   1277 C  CD2 . LEU A 1 160 ? -2.742  1.096   -37.373 1.00 55.07  ? 161 LEU A CD2 1 
ATOM   1278 N  N   . GLY A 1 161 ? -7.255  -0.033  -37.844 1.00 59.03  ? 162 GLY A N   1 
ATOM   1279 C  CA  . GLY A 1 161 ? -7.545  -1.229  -38.620 1.00 52.28  ? 162 GLY A CA  1 
ATOM   1280 C  C   . GLY A 1 161 ? -8.647  -1.012  -39.640 1.00 55.96  ? 162 GLY A C   1 
ATOM   1281 O  O   . GLY A 1 161 ? -8.582  -1.529  -40.762 1.00 54.23  ? 162 GLY A O   1 
ATOM   1282 N  N   . GLU A 1 162 ? -9.673  -0.247  -39.265 1.00 53.91  ? 163 GLU A N   1 
ATOM   1283 C  CA  . GLU A 1 162 ? -10.719 0.111   -40.215 1.00 56.35  ? 163 GLU A CA  1 
ATOM   1284 C  C   . GLU A 1 162 ? -10.153 0.834   -41.439 1.00 54.70  ? 163 GLU A C   1 
ATOM   1285 O  O   . GLU A 1 162 ? -10.592 0.589   -42.574 1.00 49.71  ? 163 GLU A O   1 
ATOM   1286 C  CB  . GLU A 1 162 ? -11.747 0.982   -39.514 1.00 58.76  ? 163 GLU A CB  1 
ATOM   1287 C  CG  . GLU A 1 162 ? -13.156 0.665   -39.851 1.00 54.45  ? 163 GLU A CG  1 
ATOM   1288 C  CD  . GLU A 1 162 ? -14.059 1.024   -38.711 1.00 67.02  ? 163 GLU A CD  1 
ATOM   1289 O  OE1 . GLU A 1 162 ? -14.021 2.200   -38.269 1.00 66.22  ? 163 GLU A OE1 1 
ATOM   1290 O  OE2 . GLU A 1 162 ? -14.783 0.123   -38.236 1.00 70.55  ? 163 GLU A OE2 1 
ATOM   1291 N  N   . TYR A 1 163 ? -9.192  1.745   -41.227 1.00 50.63  ? 164 TYR A N   1 
ATOM   1292 C  CA  . TYR A 1 163 ? -8.572  2.442   -42.355 1.00 49.70  ? 164 TYR A CA  1 
ATOM   1293 C  C   . TYR A 1 163 ? -7.773  1.482   -43.226 1.00 47.51  ? 164 TYR A C   1 
ATOM   1294 O  O   . TYR A 1 163 ? -7.925  1.468   -44.455 1.00 48.50  ? 164 TYR A O   1 
ATOM   1295 C  CB  . TYR A 1 163 ? -7.676  3.570   -41.851 1.00 50.44  ? 164 TYR A CB  1 
ATOM   1296 C  CG  . TYR A 1 163 ? -6.942  4.353   -42.927 1.00 46.71  ? 164 TYR A CG  1 
ATOM   1297 C  CD1 . TYR A 1 163 ? -7.580  5.371   -43.627 1.00 41.96  ? 164 TYR A CD1 1 
ATOM   1298 C  CD2 . TYR A 1 163 ? -5.606  4.093   -43.223 1.00 41.99  ? 164 TYR A CD2 1 
ATOM   1299 C  CE1 . TYR A 1 163 ? -6.922  6.098   -44.595 1.00 39.92  ? 164 TYR A CE1 1 
ATOM   1300 C  CE2 . TYR A 1 163 ? -4.932  4.822   -44.199 1.00 44.76  ? 164 TYR A CE2 1 
ATOM   1301 C  CZ  . TYR A 1 163 ? -5.597  5.833   -44.881 1.00 46.26  ? 164 TYR A CZ  1 
ATOM   1302 O  OH  . TYR A 1 163 ? -4.951  6.579   -45.859 1.00 45.27  ? 164 TYR A OH  1 
ATOM   1303 N  N   . LEU A 1 164 ? -6.924  0.658   -42.607 1.00 45.77  ? 165 LEU A N   1 
ATOM   1304 C  CA  . LEU A 1 164 ? -6.086  -0.252  -43.382 1.00 47.52  ? 165 LEU A CA  1 
ATOM   1305 C  C   . LEU A 1 164 ? -6.917  -1.232  -44.206 1.00 47.46  ? 165 LEU A C   1 
ATOM   1306 O  O   . LEU A 1 164 ? -6.619  -1.464  -45.385 1.00 44.27  ? 165 LEU A O   1 
ATOM   1307 C  CB  . LEU A 1 164 ? -5.136  -0.991  -42.447 1.00 52.81  ? 165 LEU A CB  1 
ATOM   1308 C  CG  . LEU A 1 164 ? -3.935  -0.113  -42.072 1.00 53.92  ? 165 LEU A CG  1 
ATOM   1309 C  CD1 . LEU A 1 164 ? -3.045  -0.818  -41.052 1.00 46.83  ? 165 LEU A CD1 1 
ATOM   1310 C  CD2 . LEU A 1 164 ? -3.142  0.322   -43.328 1.00 37.40  ? 165 LEU A CD2 1 
ATOM   1311 N  N   . PHE A 1 165 ? -7.969  -1.808  -43.610 1.00 44.77  ? 166 PHE A N   1 
ATOM   1312 C  CA  . PHE A 1 165 ? -8.807  -2.735  -44.362 1.00 47.23  ? 166 PHE A CA  1 
ATOM   1313 C  C   . PHE A 1 165 ? -9.420  -2.051  -45.577 1.00 49.47  ? 166 PHE A C   1 
ATOM   1314 O  O   . PHE A 1 165 ? -9.444  -2.613  -46.684 1.00 42.61  ? 166 PHE A O   1 
ATOM   1315 C  CB  . PHE A 1 165 ? -9.900  -3.306  -43.460 1.00 43.04  ? 166 PHE A CB  1 
ATOM   1316 C  CG  . PHE A 1 165 ? -10.798 -4.286  -44.153 1.00 40.23  ? 166 PHE A CG  1 
ATOM   1317 C  CD1 . PHE A 1 165 ? -10.343 -5.560  -44.463 1.00 42.27  ? 166 PHE A CD1 1 
ATOM   1318 C  CD2 . PHE A 1 165 ? -12.097 -3.938  -44.493 1.00 48.81  ? 166 PHE A CD2 1 
ATOM   1319 C  CE1 . PHE A 1 165 ? -11.161 -6.471  -45.101 1.00 47.06  ? 166 PHE A CE1 1 
ATOM   1320 C  CE2 . PHE A 1 165 ? -12.932 -4.847  -45.143 1.00 52.53  ? 166 PHE A CE2 1 
ATOM   1321 C  CZ  . PHE A 1 165 ? -12.458 -6.116  -45.450 1.00 46.70  ? 166 PHE A CZ  1 
ATOM   1322 N  N   . GLU A 1 166 ? -9.905  -0.826  -45.389 1.00 45.77  ? 167 GLU A N   1 
ATOM   1323 C  CA  . GLU A 1 166 ? -10.564 -0.125  -46.478 1.00 45.94  ? 167 GLU A CA  1 
ATOM   1324 C  C   . GLU A 1 166 ? -9.577  0.208   -47.595 1.00 47.44  ? 167 GLU A C   1 
ATOM   1325 O  O   . GLU A 1 166 ? -9.898  0.067   -48.785 1.00 50.31  ? 167 GLU A O   1 
ATOM   1326 C  CB  . GLU A 1 166 ? -11.243 1.123   -45.922 1.00 44.05  ? 167 GLU A CB  1 
ATOM   1327 C  CG  . GLU A 1 166 ? -12.075 1.852   -46.921 1.00 43.76  ? 167 GLU A CG  1 
ATOM   1328 C  CD  . GLU A 1 166 ? -11.310 2.988   -47.559 1.00 43.83  ? 167 GLU A CD  1 
ATOM   1329 O  OE1 . GLU A 1 166 ? -10.262 3.415   -47.002 1.00 45.18  ? 167 GLU A OE1 1 
ATOM   1330 O  OE2 . GLU A 1 166 ? -11.763 3.452   -48.622 1.00 42.35  ? 167 GLU A OE2 1 
ATOM   1331 N  N   . ARG A 1 167 ? -8.357  0.611   -47.234 1.00 46.24  ? 168 ARG A N   1 
ATOM   1332 C  CA  . ARG A 1 167 ? -7.353  0.968   -48.232 1.00 42.76  ? 168 ARG A CA  1 
ATOM   1333 C  C   . ARG A 1 167 ? -6.727  -0.258  -48.889 1.00 48.25  ? 168 ARG A C   1 
ATOM   1334 O  O   . ARG A 1 167 ? -6.443  -0.244  -50.093 1.00 47.77  ? 168 ARG A O   1 
ATOM   1335 C  CB  . ARG A 1 167 ? -6.259  1.809   -47.584 1.00 45.71  ? 168 ARG A CB  1 
ATOM   1336 C  CG  . ARG A 1 167 ? -6.790  2.972   -46.781 1.00 49.02  ? 168 ARG A CG  1 
ATOM   1337 C  CD  . ARG A 1 167 ? -6.875  4.191   -47.639 1.00 48.68  ? 168 ARG A CD  1 
ATOM   1338 N  NE  . ARG A 1 167 ? -8.205  4.353   -48.207 1.00 49.66  ? 168 ARG A NE  1 
ATOM   1339 C  CZ  . ARG A 1 167 ? -8.435  5.015   -49.330 1.00 49.56  ? 168 ARG A CZ  1 
ATOM   1340 N  NH1 . ARG A 1 167 ? -7.445  5.561   -50.023 1.00 44.59  ? 168 ARG A NH1 1 
ATOM   1341 N  NH2 . ARG A 1 167 ? -9.685  5.135   -49.767 1.00 44.62  ? 168 ARG A NH2 1 
ATOM   1342 N  N   . LEU A 1 168 ? -6.494  -1.322  -48.119 1.00 49.61  ? 169 LEU A N   1 
ATOM   1343 C  CA  . LEU A 1 168 ? -5.679  -2.434  -48.585 1.00 46.57  ? 169 LEU A CA  1 
ATOM   1344 C  C   . LEU A 1 168 ? -6.493  -3.632  -49.053 1.00 47.94  ? 169 LEU A C   1 
ATOM   1345 O  O   . LEU A 1 168 ? -5.944  -4.511  -49.732 1.00 49.49  ? 169 LEU A O   1 
ATOM   1346 C  CB  . LEU A 1 168 ? -4.702  -2.865  -47.476 1.00 45.55  ? 169 LEU A CB  1 
ATOM   1347 C  CG  . LEU A 1 168 ? -3.656  -1.776  -47.191 1.00 45.48  ? 169 LEU A CG  1 
ATOM   1348 C  CD1 . LEU A 1 168 ? -2.721  -2.136  -46.035 1.00 46.99  ? 169 LEU A CD1 1 
ATOM   1349 C  CD2 . LEU A 1 168 ? -2.868  -1.465  -48.454 1.00 29.40  ? 169 LEU A CD2 1 
ATOM   1350 N  N   . THR A 1 169 ? -7.776  -3.684  -48.725 1.00 53.80  ? 170 THR A N   1 
ATOM   1351 C  CA  . THR A 1 169 ? -8.638  -4.764  -49.180 1.00 44.22  ? 170 THR A CA  1 
ATOM   1352 C  C   . THR A 1 169 ? -9.770  -4.295  -50.082 1.00 46.55  ? 170 THR A C   1 
ATOM   1353 O  O   . THR A 1 169 ? -9.999  -4.899  -51.126 1.00 45.49  ? 170 THR A O   1 
ATOM   1354 C  CB  . THR A 1 169 ? -9.197  -5.502  -47.970 1.00 41.18  ? 170 THR A CB  1 
ATOM   1355 O  OG1 . THR A 1 169 ? -8.128  -6.204  -47.330 1.00 43.63  ? 170 THR A OG1 1 
ATOM   1356 C  CG2 . THR A 1 169 ? -10.283 -6.481  -48.385 1.00 45.00  ? 170 THR A CG2 1 
ATOM   1357 N  N   . LEU A 1 170 ? -10.462 -3.214  -49.733 1.00 47.81  ? 171 LEU A N   1 
ATOM   1358 C  CA  . LEU A 1 170 ? -11.622 -2.781  -50.508 1.00 45.56  ? 171 LEU A CA  1 
ATOM   1359 C  C   . LEU A 1 170 ? -11.265 -1.817  -51.649 1.00 43.26  ? 171 LEU A C   1 
ATOM   1360 O  O   . LEU A 1 170 ? -10.216 -1.171  -51.635 1.00 44.29  ? 171 LEU A O   1 
ATOM   1361 C  CB  . LEU A 1 170 ? -12.655 -2.145  -49.571 1.00 42.21  ? 171 LEU A CB  1 
ATOM   1362 C  CG  . LEU A 1 170 ? -13.159 -3.083  -48.456 1.00 46.02  ? 171 LEU A CG  1 
ATOM   1363 C  CD1 . LEU A 1 170 ? -14.348 -2.511  -47.711 1.00 42.85  ? 171 LEU A CD1 1 
ATOM   1364 C  CD2 . LEU A 1 170 ? -13.522 -4.454  -49.002 1.00 45.38  ? 171 LEU A CD2 1 
HETATM 1365 CD CD  . CD  B 2 .   ? -46.500 -14.081 -69.256 1.00 167.42 ? 201 CD  A CD  1 
HETATM 1366 CD CD  . CD  C 2 .   ? -49.076 -0.000  -49.076 0.50 56.78  ? 202 CD  A CD  1 
HETATM 1367 CD CD  . CD  D 2 .   ? -18.752 7.301   -51.678 1.00 149.97 ? 203 CD  A CD  1 
HETATM 1368 CD CD  . CD  E 2 .   ? -30.106 -30.106 -60.980 0.33 100.95 ? 204 CD  A CD  1 
HETATM 1369 CD CD  . CD  F 2 .   ? -32.701 -29.972 -57.963 1.00 132.33 ? 205 CD  A CD  1 
HETATM 1370 CD CD  . CD  G 2 .   ? -28.007 -28.007 -63.079 0.33 166.51 ? 206 CD  A CD  1 
HETATM 1371 FE FE  . FE  H 3 .   ? -44.131 -25.308 -59.986 1.00 112.21 ? 207 FE  A FE  1 
HETATM 1372 C  C1  . GOL I 4 .   ? -36.872 0.379   -56.741 1.00 65.32  ? 208 GOL A C1  1 
HETATM 1373 O  O1  . GOL I 4 .   ? -36.657 -0.376  -57.909 1.00 59.52  ? 208 GOL A O1  1 
HETATM 1374 C  C2  . GOL I 4 .   ? -36.270 1.740   -57.026 1.00 85.14  ? 208 GOL A C2  1 
HETATM 1375 O  O2  . GOL I 4 .   ? -37.127 2.807   -56.663 1.00 85.92  ? 208 GOL A O2  1 
HETATM 1376 C  C3  . GOL I 4 .   ? -34.872 1.871   -56.446 1.00 85.84  ? 208 GOL A C3  1 
HETATM 1377 O  O3  . GOL I 4 .   ? -33.980 0.955   -57.041 1.00 82.95  ? 208 GOL A O3  1 
HETATM 1378 O  O   . HOH J 5 .   ? -30.688 3.074   -36.996 1.00 53.07  ? 301 HOH A O   1 
HETATM 1379 O  O   . HOH J 5 .   ? -31.858 2.719   -43.337 1.00 49.03  ? 302 HOH A O   1 
HETATM 1380 O  O   . HOH J 5 .   ? -55.621 -17.410 -67.765 1.00 62.04  ? 303 HOH A O   1 
HETATM 1381 O  O   . HOH J 5 .   ? -37.149 6.222   -48.428 1.00 42.84  ? 304 HOH A O   1 
HETATM 1382 O  O   . HOH J 5 .   ? -29.211 -30.177 -58.429 1.00 43.57  ? 305 HOH A O   1 
HETATM 1383 O  O   . HOH J 5 .   ? -44.644 -22.318 -67.453 1.00 46.20  ? 306 HOH A O   1 
HETATM 1384 O  O   . HOH J 5 .   ? -23.621 -6.470  -62.475 1.00 66.40  ? 307 HOH A O   1 
HETATM 1385 O  O   . HOH J 5 .   ? -53.294 -13.532 -66.132 1.00 59.82  ? 308 HOH A O   1 
HETATM 1386 O  O   . HOH J 5 .   ? -26.483 -14.821 -61.597 1.00 63.70  ? 309 HOH A O   1 
HETATM 1387 O  O   . HOH J 5 .   ? -20.708 -19.824 -48.433 1.00 40.44  ? 310 HOH A O   1 
HETATM 1388 O  O   . HOH J 5 .   ? -33.528 -26.839 -50.752 1.00 56.38  ? 311 HOH A O   1 
HETATM 1389 O  O   . HOH J 5 .   ? -43.089 -25.006 -68.531 1.00 37.18  ? 312 HOH A O   1 
HETATM 1390 O  O   . HOH J 5 .   ? -32.344 5.556   -42.767 1.00 47.82  ? 313 HOH A O   1 
HETATM 1391 O  O   . HOH J 5 .   ? -42.805 -8.820  -55.199 1.00 42.55  ? 314 HOH A O   1 
HETATM 1392 O  O   . HOH J 5 .   ? -21.198 -0.031  -60.623 1.00 57.66  ? 315 HOH A O   1 
HETATM 1393 O  O   . HOH J 5 .   ? -27.023 -10.824 -59.547 1.00 63.37  ? 316 HOH A O   1 
HETATM 1394 O  O   . HOH J 5 .   ? -39.983 -24.207 -48.383 1.00 44.80  ? 317 HOH A O   1 
HETATM 1395 O  O   . HOH J 5 .   ? -38.618 -8.020  -46.165 1.00 48.20  ? 318 HOH A O   1 
HETATM 1396 O  O   . HOH J 5 .   ? -24.885 -12.694 -59.675 1.00 63.76  ? 319 HOH A O   1 
HETATM 1397 O  O   . HOH J 5 .   ? -41.175 -22.818 -46.386 1.00 47.53  ? 320 HOH A O   1 
# 
