data_9CST
# 
_entry.id   9CST 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.400 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9CST         pdb_00009cst 10.2210/pdb9cst/pdb 
WWPDB D_1000286226 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 2024-12-11 
2 'Structure model' 1 1 2024-12-18 
3 'Structure model' 1 2 2025-01-01 
# 
_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             ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' 'Database references' 
2 3 'Structure model' 'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
3 3 'Structure model' citation        
4 3 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_id_ISSN'         
2 2 'Structure model' '_citation.pdbx_database_id_DOI'    
3 2 'Structure model' '_citation.pdbx_database_id_PubMed' 
4 2 'Structure model' '_citation.title'                   
5 2 'Structure model' '_citation_author.identifier_ORCID' 
6 3 'Structure model' '_citation.journal_volume'          
7 3 'Structure model' '_citation.page_first'              
8 3 'Structure model' '_citation.page_last'               
9 3 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9CST 
_pdbx_database_status.recvd_initial_deposition_date   2024-07-24 
_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                 3 
_pdbx_contact_author.email              aborovik@uci.edu 
_pdbx_contact_author.name_first         Andrew 
_pdbx_contact_author.name_last          Borovik 
_pdbx_contact_author.name_mi            S 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5049-9952 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Uyeda, K.S.'   1 0000-0002-3159-795X 
'Follmer, A.H.' 2 0000-0002-6244-6804 
'Borovik, A.S.' 3 0000-0001-5049-9952 
# 
_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                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Chem Sci' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2041-6520 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            16 
_citation.language                  ? 
_citation.page_first                98 
_citation.page_last                 103 
_citation.title                     'Selective oxidation of active site aromatic residues in engineered Cu proteins.' 
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1039/d4sc06667g 
_citation.pdbx_database_id_PubMed   39600509 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Uyeda, K.S.'   1 ? 
primary 'Follmer, A.H.' 2 ? 
primary 'Borovik, A.S.' 3 ? 
# 
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     man Streptavidin 16510.930 1   ? 'E101Q, K121A' ? ? 
2 non-polymer syn 
'N-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide' 468.615   1 
? ?              ? ? 
3 non-polymer syn 'COPPER (II) ION' 63.546    4   ? ?              ? ? 
4 water       nat water 18.015    129 ? ?              ? ? 
# 
_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       
;MASMTGGQQMGRDEAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWK
NNYRNAHSATTWSGQYVGGAQARINTQWLLTSGTTEANAWASTLVGHDTFTKVKPSAASIDAAKKAGVNNGNPLDAVQQ
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MASMTGGQQMGRDEAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWK
NNYRNAHSATTWSGQYVGGAQARINTQWLLTSGTTEANAWASTLVGHDTFTKVKPSAASIDAAKKAGVNNGNPLDAVQQ
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'N-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide' QG7 
3 'COPPER (II) ION'                                                                                                      CU  
4 water                                                                                                                  HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   ALA n 
1 3   SER n 
1 4   MET n 
1 5   THR n 
1 6   GLY n 
1 7   GLY n 
1 8   GLN n 
1 9   GLN n 
1 10  MET n 
1 11  GLY n 
1 12  ARG n 
1 13  ASP n 
1 14  GLU n 
1 15  ALA n 
1 16  GLY n 
1 17  ILE n 
1 18  THR n 
1 19  GLY n 
1 20  THR n 
1 21  TRP n 
1 22  TYR n 
1 23  ASN n 
1 24  GLN n 
1 25  LEU n 
1 26  GLY n 
1 27  SER n 
1 28  THR n 
1 29  PHE n 
1 30  ILE n 
1 31  VAL n 
1 32  THR n 
1 33  ALA n 
1 34  GLY n 
1 35  ALA n 
1 36  ASP n 
1 37  GLY n 
1 38  ALA n 
1 39  LEU n 
1 40  THR n 
1 41  GLY n 
1 42  THR n 
1 43  TYR n 
1 44  GLU n 
1 45  SER n 
1 46  ALA n 
1 47  VAL n 
1 48  GLY n 
1 49  ASN n 
1 50  ALA n 
1 51  GLU n 
1 52  SER n 
1 53  ARG n 
1 54  TYR n 
1 55  VAL n 
1 56  LEU n 
1 57  THR n 
1 58  GLY n 
1 59  ARG n 
1 60  TYR n 
1 61  ASP n 
1 62  SER n 
1 63  ALA n 
1 64  PRO n 
1 65  ALA n 
1 66  THR n 
1 67  ASP n 
1 68  GLY n 
1 69  SER n 
1 70  GLY n 
1 71  THR n 
1 72  ALA n 
1 73  LEU n 
1 74  GLY n 
1 75  TRP n 
1 76  THR n 
1 77  VAL n 
1 78  ALA n 
1 79  TRP n 
1 80  LYS n 
1 81  ASN n 
1 82  ASN n 
1 83  TYR n 
1 84  ARG n 
1 85  ASN n 
1 86  ALA n 
1 87  HIS n 
1 88  SER n 
1 89  ALA n 
1 90  THR n 
1 91  THR n 
1 92  TRP n 
1 93  SER n 
1 94  GLY n 
1 95  GLN n 
1 96  TYR n 
1 97  VAL n 
1 98  GLY n 
1 99  GLY n 
1 100 ALA n 
1 101 GLN n 
1 102 ALA n 
1 103 ARG n 
1 104 ILE n 
1 105 ASN n 
1 106 THR n 
1 107 GLN n 
1 108 TRP n 
1 109 LEU n 
1 110 LEU n 
1 111 THR n 
1 112 SER n 
1 113 GLY n 
1 114 THR n 
1 115 THR n 
1 116 GLU n 
1 117 ALA n 
1 118 ASN n 
1 119 ALA n 
1 120 TRP n 
1 121 ALA n 
1 122 SER n 
1 123 THR n 
1 124 LEU n 
1 125 VAL n 
1 126 GLY n 
1 127 HIS n 
1 128 ASP n 
1 129 THR n 
1 130 PHE n 
1 131 THR n 
1 132 LYS n 
1 133 VAL n 
1 134 LYS n 
1 135 PRO n 
1 136 SER n 
1 137 ALA n 
1 138 ALA n 
1 139 SER n 
1 140 ILE n 
1 141 ASP n 
1 142 ALA n 
1 143 ALA n 
1 144 LYS n 
1 145 LYS n 
1 146 ALA n 
1 147 GLY n 
1 148 VAL n 
1 149 ASN n 
1 150 ASN n 
1 151 GLY n 
1 152 ASN n 
1 153 PRO n 
1 154 LEU n 
1 155 ASP n 
1 156 ALA n 
1 157 VAL n 
1 158 GLN n 
1 159 GLN n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   159 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 ? 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Streptomyces avidinii' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     1895 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     511693 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
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 
CU  non-polymer         . 'COPPER (II) ION' ? 'Cu 2'            63.546  
GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'    146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'      147.129 
GLY 'peptide linking'   y GLYCINE ? 'C2 H5 N O2'      75.067  
HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1'  156.162 
HOH non-polymer         . WATER ? 'H2 O'            18.015  
ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'     131.173 
LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'     131.173 
LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1'  147.195 
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 
QG7 non-polymer         . 
'N-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide' ? 
'C24 H32 N6 O2 S' 468.615 
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   MET 1   1   ?   ?   ?   A . n 
A 1 2   ALA 2   2   ?   ?   ?   A . n 
A 1 3   SER 3   3   ?   ?   ?   A . n 
A 1 4   MET 4   4   ?   ?   ?   A . n 
A 1 5   THR 5   5   ?   ?   ?   A . n 
A 1 6   GLY 6   6   ?   ?   ?   A . n 
A 1 7   GLY 7   7   ?   ?   ?   A . n 
A 1 8   GLN 8   8   ?   ?   ?   A . n 
A 1 9   GLN 9   9   ?   ?   ?   A . n 
A 1 10  MET 10  10  ?   ?   ?   A . n 
A 1 11  GLY 11  11  11  GLY GLY A . n 
A 1 12  ARG 12  12  12  ARG ARG A . n 
A 1 13  ASP 13  13  13  ASP ASP A . n 
A 1 14  GLU 14  14  14  GLU GLU A . n 
A 1 15  ALA 15  15  15  ALA ALA A . n 
A 1 16  GLY 16  16  16  GLY GLY A . n 
A 1 17  ILE 17  17  17  ILE ILE A . n 
A 1 18  THR 18  18  18  THR THR A . n 
A 1 19  GLY 19  19  19  GLY GLY A . n 
A 1 20  THR 20  20  20  THR THR A . n 
A 1 21  TRP 21  21  21  TRP TRP A . n 
A 1 22  TYR 22  22  22  TYR TYR A . n 
A 1 23  ASN 23  23  23  ASN ASN A . n 
A 1 24  GLN 24  24  24  GLN GLN A . n 
A 1 25  LEU 25  25  25  LEU LEU A . n 
A 1 26  GLY 26  26  26  GLY GLY A . n 
A 1 27  SER 27  27  27  SER SER A . n 
A 1 28  THR 28  28  28  THR THR A . n 
A 1 29  PHE 29  29  29  PHE PHE A . n 
A 1 30  ILE 30  30  30  ILE ILE A . n 
A 1 31  VAL 31  31  31  VAL VAL A . n 
A 1 32  THR 32  32  32  THR THR A . n 
A 1 33  ALA 33  33  33  ALA ALA A . n 
A 1 34  GLY 34  34  34  GLY GLY A . n 
A 1 35  ALA 35  35  35  ALA ALA A . n 
A 1 36  ASP 36  36  36  ASP ASP A . n 
A 1 37  GLY 37  37  37  GLY GLY A . n 
A 1 38  ALA 38  38  38  ALA ALA A . n 
A 1 39  LEU 39  39  39  LEU LEU A . n 
A 1 40  THR 40  40  40  THR THR A . n 
A 1 41  GLY 41  41  41  GLY GLY A . n 
A 1 42  THR 42  42  42  THR THR A . n 
A 1 43  TYR 43  43  43  TYR TYR A . n 
A 1 44  GLU 44  44  44  GLU GLU A . n 
A 1 45  SER 45  45  45  SER SER A . n 
A 1 46  ALA 46  46  46  ALA ALA A . n 
A 1 47  VAL 47  47  47  VAL VAL A . n 
A 1 48  GLY 48  48  48  GLY GLY A . n 
A 1 49  ASN 49  49  49  ASN ASN A . n 
A 1 50  ALA 50  50  50  ALA ALA A . n 
A 1 51  GLU 51  51  51  GLU GLU A . n 
A 1 52  SER 52  52  52  SER SER A . n 
A 1 53  ARG 53  53  53  ARG ARG A . n 
A 1 54  TYR 54  54  54  TYR TYR A . n 
A 1 55  VAL 55  55  55  VAL VAL A . n 
A 1 56  LEU 56  56  56  LEU LEU A . n 
A 1 57  THR 57  57  57  THR THR A . n 
A 1 58  GLY 58  58  58  GLY GLY A . n 
A 1 59  ARG 59  59  59  ARG ARG A . n 
A 1 60  TYR 60  60  60  TYR TYR A . n 
A 1 61  ASP 61  61  61  ASP ASP A . n 
A 1 62  SER 62  62  62  SER SER A . n 
A 1 63  ALA 63  63  63  ALA ALA A . n 
A 1 64  PRO 64  64  64  PRO PRO A . n 
A 1 65  ALA 65  65  65  ALA ALA A . n 
A 1 66  THR 66  66  66  THR THR A . n 
A 1 67  ASP 67  67  67  ASP ASP A . n 
A 1 68  GLY 68  68  68  GLY GLY A . n 
A 1 69  SER 69  69  69  SER SER A . n 
A 1 70  GLY 70  70  70  GLY GLY A . n 
A 1 71  THR 71  71  71  THR THR A . n 
A 1 72  ALA 72  72  72  ALA ALA A . n 
A 1 73  LEU 73  73  73  LEU LEU A . n 
A 1 74  GLY 74  74  74  GLY GLY A . n 
A 1 75  TRP 75  75  75  TRP TRP A . n 
A 1 76  THR 76  76  76  THR THR A . n 
A 1 77  VAL 77  77  77  VAL VAL A . n 
A 1 78  ALA 78  78  78  ALA ALA A . n 
A 1 79  TRP 79  79  79  TRP TRP A . n 
A 1 80  LYS 80  80  80  LYS LYS A . n 
A 1 81  ASN 81  81  81  ASN ASN A . n 
A 1 82  ASN 82  82  82  ASN ASN A . n 
A 1 83  TYR 83  83  83  TYR TYR A . n 
A 1 84  ARG 84  84  84  ARG ARG A . n 
A 1 85  ASN 85  85  85  ASN ASN A . n 
A 1 86  ALA 86  86  86  ALA ALA A . n 
A 1 87  HIS 87  87  87  HIS HIS A . n 
A 1 88  SER 88  88  88  SER SER A . n 
A 1 89  ALA 89  89  89  ALA ALA A . n 
A 1 90  THR 90  90  90  THR THR A . n 
A 1 91  THR 91  91  91  THR THR A . n 
A 1 92  TRP 92  92  92  TRP TRP A . n 
A 1 93  SER 93  93  93  SER SER A . n 
A 1 94  GLY 94  94  94  GLY GLY A . n 
A 1 95  GLN 95  95  95  GLN GLN A . n 
A 1 96  TYR 96  96  96  TYR TYR A . n 
A 1 97  VAL 97  97  97  VAL VAL A . n 
A 1 98  GLY 98  98  98  GLY GLY A . n 
A 1 99  GLY 99  99  99  GLY GLY A . n 
A 1 100 ALA 100 100 100 ALA ALA A . n 
A 1 101 GLN 101 101 101 GLN GLN A . n 
A 1 102 ALA 102 102 102 ALA ALA A . n 
A 1 103 ARG 103 103 103 ARG ARG A . n 
A 1 104 ILE 104 104 104 ILE ILE A . n 
A 1 105 ASN 105 105 105 ASN ASN A . n 
A 1 106 THR 106 106 106 THR THR A . n 
A 1 107 GLN 107 107 107 GLN GLN A . n 
A 1 108 TRP 108 108 108 TRP TRP A . n 
A 1 109 LEU 109 109 109 LEU LEU A . n 
A 1 110 LEU 110 110 110 LEU LEU A . n 
A 1 111 THR 111 111 111 THR THR A . n 
A 1 112 SER 112 112 112 SER SER A . n 
A 1 113 GLY 113 113 113 GLY GLY A . n 
A 1 114 THR 114 114 114 THR THR A . n 
A 1 115 THR 115 115 115 THR THR A . n 
A 1 116 GLU 116 116 116 GLU GLU A . n 
A 1 117 ALA 117 117 117 ALA ALA A . n 
A 1 118 ASN 118 118 118 ASN ASN A . n 
A 1 119 ALA 119 119 119 ALA ALA A . n 
A 1 120 TRP 120 120 120 TRP TRP A . n 
A 1 121 ALA 121 121 121 ALA ALA A . n 
A 1 122 SER 122 122 122 SER SER A . n 
A 1 123 THR 123 123 123 THR THR A . n 
A 1 124 LEU 124 124 124 LEU LEU A . n 
A 1 125 VAL 125 125 125 VAL VAL A . n 
A 1 126 GLY 126 126 126 GLY GLY A . n 
A 1 127 HIS 127 127 127 HIS HIS A . n 
A 1 128 ASP 128 128 128 ASP ASP A . n 
A 1 129 THR 129 129 129 THR THR A . n 
A 1 130 PHE 130 130 130 PHE PHE A . n 
A 1 131 THR 131 131 131 THR THR A . n 
A 1 132 LYS 132 132 132 LYS LYS A . n 
A 1 133 VAL 133 133 133 VAL VAL A . n 
A 1 134 LYS 134 134 134 LYS LYS A . n 
A 1 135 PRO 135 135 ?   ?   ?   A . n 
A 1 136 SER 136 136 ?   ?   ?   A . n 
A 1 137 ALA 137 137 ?   ?   ?   A . n 
A 1 138 ALA 138 138 ?   ?   ?   A . n 
A 1 139 SER 139 139 ?   ?   ?   A . n 
A 1 140 ILE 140 140 ?   ?   ?   A . n 
A 1 141 ASP 141 141 ?   ?   ?   A . n 
A 1 142 ALA 142 142 ?   ?   ?   A . n 
A 1 143 ALA 143 143 ?   ?   ?   A . n 
A 1 144 LYS 144 144 ?   ?   ?   A . n 
A 1 145 LYS 145 145 ?   ?   ?   A . n 
A 1 146 ALA 146 146 ?   ?   ?   A . n 
A 1 147 GLY 147 147 ?   ?   ?   A . n 
A 1 148 VAL 148 148 ?   ?   ?   A . n 
A 1 149 ASN 149 149 ?   ?   ?   A . n 
A 1 150 ASN 150 150 ?   ?   ?   A . n 
A 1 151 GLY 151 151 ?   ?   ?   A . n 
A 1 152 ASN 152 152 ?   ?   ?   A . n 
A 1 153 PRO 153 153 ?   ?   ?   A . n 
A 1 154 LEU 154 154 ?   ?   ?   A . n 
A 1 155 ASP 155 155 ?   ?   ?   A . n 
A 1 156 ALA 156 156 ?   ?   ?   A . n 
A 1 157 VAL 157 157 ?   ?   ?   A . n 
A 1 158 GLN 158 158 ?   ?   ?   A . n 
A 1 159 GLN 159 159 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        QG7 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   QG7 
_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 QG7 1   201 202 QG7 UYE A . 
C 3 CU  1   202 3   CU  CU  A . 
D 3 CU  1   203 4   CU  CU  A . 
E 3 CU  1   204 5   CU  CU  A . 
F 3 CU  1   205 6   CU  CU  A . 
G 4 HOH 1   301 100 HOH HOH A . 
G 4 HOH 2   302 96  HOH HOH A . 
G 4 HOH 3   303 84  HOH HOH A . 
G 4 HOH 4   304 71  HOH HOH A . 
G 4 HOH 5   305 75  HOH HOH A . 
G 4 HOH 6   306 17  HOH HOH A . 
G 4 HOH 7   307 1   HOH HOH A . 
G 4 HOH 8   308 42  HOH HOH A . 
G 4 HOH 9   309 4   HOH HOH A . 
G 4 HOH 10  310 134 HOH HOH A . 
G 4 HOH 11  311 29  HOH HOH A . 
G 4 HOH 12  312 56  HOH HOH A . 
G 4 HOH 13  313 22  HOH HOH A . 
G 4 HOH 14  314 25  HOH HOH A . 
G 4 HOH 15  315 35  HOH HOH A . 
G 4 HOH 16  316 39  HOH HOH A . 
G 4 HOH 17  317 50  HOH HOH A . 
G 4 HOH 18  318 31  HOH HOH A . 
G 4 HOH 19  319 8   HOH HOH A . 
G 4 HOH 20  320 62  HOH HOH A . 
G 4 HOH 21  321 15  HOH HOH A . 
G 4 HOH 22  322 36  HOH HOH A . 
G 4 HOH 23  323 3   HOH HOH A . 
G 4 HOH 24  324 65  HOH HOH A . 
G 4 HOH 25  325 2   HOH HOH A . 
G 4 HOH 26  326 53  HOH HOH A . 
G 4 HOH 27  327 33  HOH HOH A . 
G 4 HOH 28  328 52  HOH HOH A . 
G 4 HOH 29  329 149 HOH HOH A . 
G 4 HOH 30  330 67  HOH HOH A . 
G 4 HOH 31  331 78  HOH HOH A . 
G 4 HOH 32  332 92  HOH HOH A . 
G 4 HOH 33  333 19  HOH HOH A . 
G 4 HOH 34  334 37  HOH HOH A . 
G 4 HOH 35  335 5   HOH HOH A . 
G 4 HOH 36  336 24  HOH HOH A . 
G 4 HOH 37  337 74  HOH HOH A . 
G 4 HOH 38  338 40  HOH HOH A . 
G 4 HOH 39  339 21  HOH HOH A . 
G 4 HOH 40  340 16  HOH HOH A . 
G 4 HOH 41  341 6   HOH HOH A . 
G 4 HOH 42  342 46  HOH HOH A . 
G 4 HOH 43  343 82  HOH HOH A . 
G 4 HOH 44  344 55  HOH HOH A . 
G 4 HOH 45  345 32  HOH HOH A . 
G 4 HOH 46  346 88  HOH HOH A . 
G 4 HOH 47  347 10  HOH HOH A . 
G 4 HOH 48  348 13  HOH HOH A . 
G 4 HOH 49  349 137 HOH HOH A . 
G 4 HOH 50  350 11  HOH HOH A . 
G 4 HOH 51  351 118 HOH HOH A . 
G 4 HOH 52  352 76  HOH HOH A . 
G 4 HOH 53  353 27  HOH HOH A . 
G 4 HOH 54  354 51  HOH HOH A . 
G 4 HOH 55  355 12  HOH HOH A . 
G 4 HOH 56  356 38  HOH HOH A . 
G 4 HOH 57  357 151 HOH HOH A . 
G 4 HOH 58  358 95  HOH HOH A . 
G 4 HOH 59  359 114 HOH HOH A . 
G 4 HOH 60  360 26  HOH HOH A . 
G 4 HOH 61  361 18  HOH HOH A . 
G 4 HOH 62  362 7   HOH HOH A . 
G 4 HOH 63  363 138 HOH HOH A . 
G 4 HOH 64  364 47  HOH HOH A . 
G 4 HOH 65  365 130 HOH HOH A . 
G 4 HOH 66  366 58  HOH HOH A . 
G 4 HOH 67  367 14  HOH HOH A . 
G 4 HOH 68  368 60  HOH HOH A . 
G 4 HOH 69  369 77  HOH HOH A . 
G 4 HOH 70  370 41  HOH HOH A . 
G 4 HOH 71  371 89  HOH HOH A . 
G 4 HOH 72  372 20  HOH HOH A . 
G 4 HOH 73  373 101 HOH HOH A . 
G 4 HOH 74  374 69  HOH HOH A . 
G 4 HOH 75  375 44  HOH HOH A . 
G 4 HOH 76  376 99  HOH HOH A . 
G 4 HOH 77  377 148 HOH HOH A . 
G 4 HOH 78  378 54  HOH HOH A . 
G 4 HOH 79  379 103 HOH HOH A . 
G 4 HOH 80  380 61  HOH HOH A . 
G 4 HOH 81  381 30  HOH HOH A . 
G 4 HOH 82  382 152 HOH HOH A . 
G 4 HOH 83  383 120 HOH HOH A . 
G 4 HOH 84  384 129 HOH HOH A . 
G 4 HOH 85  385 59  HOH HOH A . 
G 4 HOH 86  386 70  HOH HOH A . 
G 4 HOH 87  387 113 HOH HOH A . 
G 4 HOH 88  388 63  HOH HOH A . 
G 4 HOH 89  389 64  HOH HOH A . 
G 4 HOH 90  390 68  HOH HOH A . 
G 4 HOH 91  391 79  HOH HOH A . 
G 4 HOH 92  392 49  HOH HOH A . 
G 4 HOH 93  393 139 HOH HOH A . 
G 4 HOH 94  394 121 HOH HOH A . 
G 4 HOH 95  395 94  HOH HOH A . 
G 4 HOH 96  396 85  HOH HOH A . 
G 4 HOH 97  397 66  HOH HOH A . 
G 4 HOH 98  398 87  HOH HOH A . 
G 4 HOH 99  399 117 HOH HOH A . 
G 4 HOH 100 400 142 HOH HOH A . 
G 4 HOH 101 401 57  HOH HOH A . 
G 4 HOH 102 402 131 HOH HOH A . 
G 4 HOH 103 403 132 HOH HOH A . 
G 4 HOH 104 404 34  HOH HOH A . 
G 4 HOH 105 405 143 HOH HOH A . 
G 4 HOH 106 406 109 HOH HOH A . 
G 4 HOH 107 407 140 HOH HOH A . 
G 4 HOH 108 408 144 HOH HOH A . 
G 4 HOH 109 409 124 HOH HOH A . 
G 4 HOH 110 410 145 HOH HOH A . 
G 4 HOH 111 411 135 HOH HOH A . 
G 4 HOH 112 412 136 HOH HOH A . 
G 4 HOH 113 413 146 HOH HOH A . 
G 4 HOH 114 414 141 HOH HOH A . 
G 4 HOH 115 415 73  HOH HOH A . 
G 4 HOH 116 416 48  HOH HOH A . 
G 4 HOH 117 417 122 HOH HOH A . 
G 4 HOH 118 418 91  HOH HOH A . 
G 4 HOH 119 419 133 HOH HOH A . 
G 4 HOH 120 420 98  HOH HOH A . 
G 4 HOH 121 421 97  HOH HOH A . 
G 4 HOH 122 422 83  HOH HOH A . 
G 4 HOH 123 423 125 HOH HOH A . 
G 4 HOH 124 424 90  HOH HOH A . 
G 4 HOH 125 425 102 HOH HOH A . 
G 4 HOH 126 426 127 HOH HOH A . 
G 4 HOH 127 427 81  HOH HOH A . 
G 4 HOH 128 428 126 HOH HOH A . 
G 4 HOH 129 429 150 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 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? MOSFLM  ? ? ? 7.4.0           1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .               2 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .               3 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? 1.20.1-4487-000 4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9CST 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     57.820 
_cell.length_a_esd                 ? 
_cell.length_b                     57.820 
_cell.length_b_esd                 ? 
_cell.length_c                     184.139 
_cell.length_c_esd                 ? 
_cell.volume                       615604.740 
_cell.volume_esd                   ? 
_cell.Z_PDB                        16 
_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                         9CST 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                98 
_symmetry.space_group_name_Hall            'I 4bw 2bw' 
_symmetry.space_group_name_H-M             'I 41 2 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                   9CST 
_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             2.33 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          47.22 
_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, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              4 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'ammonium sulfate, sodium acetate' 
_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 EIGER2 S 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         2024-03-19 
_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   0.8856 
_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                        'SSRL BEAMLINE BL12-2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.8856 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL12-2 
_diffrn_source.pdbx_synchrotron_site       SSRL 
# 
_reflns.B_iso_Wilson_estimate                          13.62 
_reflns.entry_id                                       9CST 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.13 
_reflns.d_resolution_low                               42.09 
_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                                     58555 
_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                           99.70 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                79.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          60.09 
_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                                0.764 
_reflns.pdbx_Rpim_I_all                                0.08369 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.946 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.13 
_reflns_shell.d_res_low                                     1.172 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.15 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             5764 
_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                               ? 
_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                               3.229 
_reflns_shell.pdbx_Rpim_I_all                               0.3621 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.784 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          99.88 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  3.208 
_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                               20.09 
_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                                 9CST 
_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                            1.13 
_refine.ls_d_res_low                             42.09 
_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                     58555 
_refine.ls_number_reflns_R_free                  5620 
_refine.ls_number_reflns_R_work                  105180 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.69 
_refine.ls_percent_reflns_R_free                 5.07 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1425 
_refine.ls_R_factor_R_free                       0.1604 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1415 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_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             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_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                 15.8117 
_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                            0.1368 
_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.details                          ? 
_refine_hist.d_res_high                       1.13 
_refine_hist.d_res_low                        42.09 
_refine_hist.number_atoms_solvent             129 
_refine_hist.number_atoms_total               1090 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        924 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         37 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
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' ? 0.0143 ? 1018 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.4735 ? 1398 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.1061 ? 155  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0198 ? 176  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 8.1498 ? 159  ? f_dihedral_angle_d ? ? 
# 
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' 1.13 1.14  . . 167 3525 99.84  . . . . 0.3498 . . . . . . . . . . . 0.3300 
'X-RAY DIFFRACTION' 1.14 1.16  . . 174 3582 99.95  . . . . 0.3184 . . . . . . . . . . . 0.3204 
'X-RAY DIFFRACTION' 1.16 1.17  . . 199 3456 99.92  . . . . 0.2931 . . . . . . . . . . . 0.3374 
'X-RAY DIFFRACTION' 1.17 1.19  . . 202 3491 99.92  . . . . 0.2729 . . . . . . . . . . . 0.2562 
'X-RAY DIFFRACTION' 1.19 1.20  . . 170 3525 99.92  . . . . 0.2328 . . . . . . . . . . . 0.2980 
'X-RAY DIFFRACTION' 1.20 1.22  . . 192 3490 99.70  . . . . 0.2422 . . . . . . . . . . . 0.2713 
'X-RAY DIFFRACTION' 1.22 1.24  . . 175 3559 99.87  . . . . 0.2343 . . . . . . . . . . . 0.2407 
'X-RAY DIFFRACTION' 1.24 1.26  . . 191 3510 99.81  . . . . 0.2020 . . . . . . . . . . . 0.2191 
'X-RAY DIFFRACTION' 1.26 1.27  . . 205 3437 99.21  . . . . 0.2166 . . . . . . . . . . . 0.2487 
'X-RAY DIFFRACTION' 1.27 1.30  . . 156 3551 99.62  . . . . 0.1796 . . . . . . . . . . . 0.2120 
'X-RAY DIFFRACTION' 1.30 1.32  . . 210 3401 97.75  . . . . 0.1984 . . . . . . . . . . . 0.2399 
'X-RAY DIFFRACTION' 1.32 1.34  . . 188 3544 100.00 . . . . 0.1879 . . . . . . . . . . . 0.2025 
'X-RAY DIFFRACTION' 1.34 1.37  . . 183 3490 100.00 . . . . 0.1799 . . . . . . . . . . . 0.2087 
'X-RAY DIFFRACTION' 1.37 1.40  . . 216 3506 100.00 . . . . 0.1877 . . . . . . . . . . . 0.2220 
'X-RAY DIFFRACTION' 1.40 1.43  . . 172 3514 100.00 . . . . 0.1797 . . . . . . . . . . . 0.2127 
'X-RAY DIFFRACTION' 1.43 1.46  . . 187 3519 99.95  . . . . 0.1486 . . . . . . . . . . . 0.1692 
'X-RAY DIFFRACTION' 1.46 1.50  . . 193 3482 99.92  . . . . 0.1246 . . . . . . . . . . . 0.1364 
'X-RAY DIFFRACTION' 1.50 1.54  . . 213 3518 99.95  . . . . 0.1074 . . . . . . . . . . . 0.1431 
'X-RAY DIFFRACTION' 1.54 1.58  . . 192 3522 100.00 . . . . 0.0922 . . . . . . . . . . . 0.1161 
'X-RAY DIFFRACTION' 1.58 1.63  . . 180 3504 100.00 . . . . 0.0934 . . . . . . . . . . . 0.1282 
'X-RAY DIFFRACTION' 1.63 1.69  . . 178 3534 100.00 . . . . 0.0994 . . . . . . . . . . . 0.1355 
'X-RAY DIFFRACTION' 1.69 1.76  . . 160 3525 99.30  . . . . 0.1104 . . . . . . . . . . . 0.1335 
'X-RAY DIFFRACTION' 1.76 1.84  . . 156 3517 99.57  . . . . 0.0944 . . . . . . . . . . . 0.1086 
'X-RAY DIFFRACTION' 1.84 1.94  . . 199 3478 98.45  . . . . 0.1129 . . . . . . . . . . . 0.1415 
'X-RAY DIFFRACTION' 1.94 2.06  . . 203 3494 99.92  . . . . 0.1075 . . . . . . . . . . . 0.1164 
'X-RAY DIFFRACTION' 2.06 2.22  . . 173 3515 99.86  . . . . 0.1078 . . . . . . . . . . . 0.1288 
'X-RAY DIFFRACTION' 2.22 2.44  . . 169 3476 98.62  . . . . 0.1304 . . . . . . . . . . . 0.1621 
'X-RAY DIFFRACTION' 2.44 2.79  . . 176 3537 99.97  . . . . 0.1404 . . . . . . . . . . . 0.1484 
'X-RAY DIFFRACTION' 2.79 3.52  . . 209 3487 99.76  . . . . 0.1414 . . . . . . . . . . . 0.1587 
'X-RAY DIFFRACTION' 3.52 42.09 . . 232 3491 99.92  . . . . 0.1524 . . . . . . . . . . . 0.1587 
# 
_struct.entry_id                     9CST 
_struct.title                        'Streptavidin-E101Q-K121A bound to Cu(II)-biotin-ethyl-dipicolylamine cofactor' 
_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        9CST 
_struct_keywords.text            'biotin-streptavidin complex, artificial metalloprotein, 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 3 ? 
D N N 3 ? 
E N N 3 ? 
F N N 3 ? 
G N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    SAV_STRAV 
_struct_ref.pdbx_db_accession          P22629 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;EAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWS
GQYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKPSAASIDAAKKAGVNNGNPLDAVQQ
;
_struct_ref.pdbx_align_begin           38 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9CST 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 14 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 159 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P22629 
_struct_ref_seq.db_align_beg                  38 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  183 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       14 
_struct_ref_seq.pdbx_auth_seq_align_end       159 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9CST MET A 1   ? UNP P22629 ?   ?   'expression tag'      1   1  
1 9CST ALA A 2   ? UNP P22629 ?   ?   'expression tag'      2   2  
1 9CST SER A 3   ? UNP P22629 ?   ?   'expression tag'      3   3  
1 9CST MET A 4   ? UNP P22629 ?   ?   'expression tag'      4   4  
1 9CST THR A 5   ? UNP P22629 ?   ?   'expression tag'      5   5  
1 9CST GLY A 6   ? UNP P22629 ?   ?   'expression tag'      6   6  
1 9CST GLY A 7   ? UNP P22629 ?   ?   'expression tag'      7   7  
1 9CST GLN A 8   ? UNP P22629 ?   ?   'expression tag'      8   8  
1 9CST GLN A 9   ? UNP P22629 ?   ?   'expression tag'      9   9  
1 9CST MET A 10  ? UNP P22629 ?   ?   'expression tag'      10  10 
1 9CST GLY A 11  ? UNP P22629 ?   ?   'expression tag'      11  11 
1 9CST ARG A 12  ? UNP P22629 ?   ?   'expression tag'      12  12 
1 9CST ASP A 13  ? UNP P22629 ?   ?   'expression tag'      13  13 
1 9CST GLN A 101 ? UNP P22629 GLU 125 'engineered mutation' 101 14 
1 9CST ALA A 121 ? UNP P22629 LYS 145 'engineered mutation' 121 15 
# 
_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   tetrameric 
_pdbx_struct_assembly.oligomeric_count     4 
# 
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)' 11710 ? 
1 MORE         -234  ? 
1 'SSA (A^2)'  18090 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2,3,4 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_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' 8_665  -y+1,-x+1,-z 0.0000000000  -1.0000000000 0.0000000000 57.8200000000 -1.0000000000 
0.0000000000  0.0000000000 57.8200000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 
3 'crystal symmetry operation' 10_665 -x+1,-y+1,z  -1.0000000000 0.0000000000  0.0000000000 57.8200000000 0.0000000000  
-1.0000000000 0.0000000000 57.8200000000 0.0000000000 0.0000000000 1.0000000000  0.0000000000 
4 '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 
# 
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 ASP A 13  ? THR A 18  ? ASP A 13  THR A 18  1 ? 6 
HELX_P HELX_P2 AA2 THR A 115 ? ALA A 121 ? THR A 115 ALA A 121 5 ? 7 
# 
_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 HIS 87  NE2 ? ? ? 1_555 F CU  . CU ? ? A HIS 87  A CU  205 1_555 ? ? ? ? ? ? ? 2.638 ? ? 
metalc2 metalc ? ? A HIS 127 NE2 ? ? ? 1_555 E CU  . CU ? ? A HIS 127 A CU  204 1_555 ? ? ? ? ? ? ? 1.876 ? ? 
metalc3 metalc ? ? B QG7 .   N3  ? ? ? 1_555 C CU  . CU ? ? A QG7 201 A CU  202 1_555 ? ? ? ? ? ? ? 1.993 ? ? 
metalc4 metalc ? ? B QG7 .   N4  ? ? ? 1_555 C CU  . CU ? ? A QG7 201 A CU  202 1_555 ? ? ? ? ? ? ? 2.008 ? ? 
metalc5 metalc ? ? B QG7 .   N5  ? ? ? 1_555 C CU  . CU ? ? A QG7 201 A CU  202 1_555 ? ? ? ? ? ? ? 1.846 ? ? 
metalc6 metalc ? ? B QG7 .   N3  ? ? ? 1_555 D CU  . CU ? ? A QG7 201 A CU  203 1_555 ? ? ? ? ? ? ? 1.727 ? ? 
metalc7 metalc ? ? E CU  .   CU  ? ? ? 1_555 G HOH . O  ? ? A CU  204 A HOH 391 1_555 ? ? ? ? ? ? ? 2.472 ? ? 
# 
_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 NE2 ? A HIS 127 ? A HIS 127 ? 1_555 CU ? E CU . ? A CU 204 ? 1_555 O  ? G HOH . ? A HOH 391 ? 1_555 100.3 ? 
2 N3  ? B QG7 .   ? A QG7 201 ? 1_555 CU ? C CU . ? A CU 202 ? 1_555 N4 ? B QG7 . ? A QG7 201 ? 1_555 90.5  ? 
3 N3  ? B QG7 .   ? A QG7 201 ? 1_555 CU ? C CU . ? A CU 202 ? 1_555 N5 ? B QG7 . ? A QG7 201 ? 1_555 85.1  ? 
4 N4  ? B QG7 .   ? A QG7 201 ? 1_555 CU ? C CU . ? A CU 202 ? 1_555 N5 ? B QG7 . ? A QG7 201 ? 1_555 175.2 ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   9 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA1 7 8 ? anti-parallel 
AA1 8 9 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 GLY A 19  ? ASN A 23  ? GLY A 19  ASN A 23  
AA1 2 THR A 28  ? ALA A 33  ? THR A 28  ALA A 33  
AA1 3 ALA A 38  ? GLU A 44  ? ALA A 38  GLU A 44  
AA1 4 TYR A 54  ? TYR A 60  ? TYR A 54  TYR A 60  
AA1 5 THR A 71  ? LYS A 80  ? THR A 71  LYS A 80  
AA1 6 ASN A 85  ? VAL A 97  ? ASN A 85  VAL A 97  
AA1 7 ARG A 103 ? SER A 112 ? ARG A 103 SER A 112 
AA1 8 THR A 123 ? THR A 131 ? THR A 123 THR A 131 
AA1 9 GLY A 19  ? ASN A 23  ? GLY A 19  ASN A 23  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N TRP A 21  ? N TRP A 21  O PHE A 29  ? O PHE A 29  
AA1 2 3 N ILE A 30  ? N ILE A 30  O THR A 42  ? O THR A 42  
AA1 3 4 N LEU A 39  ? N LEU A 39  O GLY A 58  ? O GLY A 58  
AA1 4 5 N THR A 57  ? N THR A 57  O THR A 76  ? O THR A 76  
AA1 5 6 N TRP A 79  ? N TRP A 79  O SER A 88  ? O SER A 88  
AA1 6 7 N VAL A 97  ? N VAL A 97  O ARG A 103 ? O ARG A 103 
AA1 7 8 N ILE A 104 ? N ILE A 104 O PHE A 130 ? O PHE A 130 
AA1 8 9 O THR A 131 ? O THR A 131 N TYR A 22  ? N TYR A 22  
# 
_pdbx_entry_details.entry_id                   9CST 
_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 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 H5  A QG7 201 ? ? CU A CU  203 ? ? 1.18 
2 1 H3  A QG7 201 ? ? CU A CU  203 ? ? 1.19 
3 1 C11 A QG7 201 ? ? CU A CU  203 ? ? 1.44 
4 1 CU  A CU  204 ? ? O  A HOH 382 ? ? 1.47 
5 1 C17 A QG7 201 ? ? CU A CU  203 ? ? 1.65 
6 1 O   A HOH 316 ? ? O  A HOH 405 ? ? 1.83 
7 1 O   A HOH 329 ? ? O  A HOH 377 ? ? 1.91 
8 1 O   A HOH 316 ? ? O  A HOH 349 ? ? 1.97 
9 1 O   A HOH 405 ? ? O  A HOH 421 ? ? 2.06 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    NH2 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    ARG 
_pdbx_validate_symm_contact.auth_seq_id_1     103 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    B 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    OE2 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    GLU 
_pdbx_validate_symm_contact.auth_seq_id_2     116 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   15_555 
_pdbx_validate_symm_contact.dist              2.09 
# 
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 SER A 52  ? ? 60.88   -159.72 
2 1 SER A 52  ? ? 61.40   -159.96 
3 1 GLN A 101 ? ? -115.89 63.72   
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     314 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   G 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1  x,y,z                
2  -y+1/2,x,z+3/4       
3  y+1/2,-x,z+3/4       
4  x+1/2,-y,-z+3/4      
5  -x+1/2,y,-z+3/4      
6  -x,-y,z              
7  y,x,-z               
8  -y,-x,-z             
9  x+1/2,y+1/2,z+1/2    
10 -y+1,x+1/2,z+5/4     
11 y+1,-x+1/2,z+5/4     
12 x+1,-y+1/2,-z+5/4    
13 -x+1,y+1/2,-z+5/4    
14 -x+1/2,-y+1/2,z+1/2  
15 y+1/2,x+1/2,-z+1/2   
16 -y+1/2,-x+1/2,-z+1/2 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 426 ? 6.07 . 
2 1 O ? A HOH 427 ? 6.39 . 
3 1 O ? A HOH 428 ? 6.67 . 
4 1 O ? A HOH 429 ? 7.46 . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A MET 1   ? A MET 1   
2  1 Y 1 A ALA 2   ? A ALA 2   
3  1 Y 1 A SER 3   ? A SER 3   
4  1 Y 1 A MET 4   ? A MET 4   
5  1 Y 1 A THR 5   ? A THR 5   
6  1 Y 1 A GLY 6   ? A GLY 6   
7  1 Y 1 A GLY 7   ? A GLY 7   
8  1 Y 1 A GLN 8   ? A GLN 8   
9  1 Y 1 A GLN 9   ? A GLN 9   
10 1 Y 1 A MET 10  ? A MET 10  
11 1 Y 1 A PRO 135 ? A PRO 135 
12 1 Y 1 A SER 136 ? A SER 136 
13 1 Y 1 A ALA 137 ? A ALA 137 
14 1 Y 1 A ALA 138 ? A ALA 138 
15 1 Y 1 A SER 139 ? A SER 139 
16 1 Y 1 A ILE 140 ? A ILE 140 
17 1 Y 1 A ASP 141 ? A ASP 141 
18 1 Y 1 A ALA 142 ? A ALA 142 
19 1 Y 1 A ALA 143 ? A ALA 143 
20 1 Y 1 A LYS 144 ? A LYS 144 
21 1 Y 1 A LYS 145 ? A LYS 145 
22 1 Y 1 A ALA 146 ? A ALA 146 
23 1 Y 1 A GLY 147 ? A GLY 147 
24 1 Y 1 A VAL 148 ? A VAL 148 
25 1 Y 1 A ASN 149 ? A ASN 149 
26 1 Y 1 A ASN 150 ? A ASN 150 
27 1 Y 1 A GLY 151 ? A GLY 151 
28 1 Y 1 A ASN 152 ? A ASN 152 
29 1 Y 1 A PRO 153 ? A PRO 153 
30 1 Y 1 A LEU 154 ? A LEU 154 
31 1 Y 1 A ASP 155 ? A ASP 155 
32 1 Y 1 A ALA 156 ? A ALA 156 
33 1 Y 1 A VAL 157 ? A VAL 157 
34 1 Y 1 A GLN 158 ? A GLN 158 
35 1 Y 1 A GLN 159 ? A GLN 159 
# 
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  
CU  CU   CU N N 74  
GLN N    N  N N 75  
GLN CA   C  N S 76  
GLN C    C  N N 77  
GLN O    O  N N 78  
GLN CB   C  N N 79  
GLN CG   C  N N 80  
GLN CD   C  N N 81  
GLN OE1  O  N N 82  
GLN NE2  N  N N 83  
GLN OXT  O  N N 84  
GLN H    H  N N 85  
GLN H2   H  N N 86  
GLN HA   H  N N 87  
GLN HB2  H  N N 88  
GLN HB3  H  N N 89  
GLN HG2  H  N N 90  
GLN HG3  H  N N 91  
GLN HE21 H  N N 92  
GLN HE22 H  N N 93  
GLN HXT  H  N N 94  
GLU N    N  N N 95  
GLU CA   C  N S 96  
GLU C    C  N N 97  
GLU O    O  N N 98  
GLU CB   C  N N 99  
GLU CG   C  N N 100 
GLU CD   C  N N 101 
GLU OE1  O  N N 102 
GLU OE2  O  N N 103 
GLU OXT  O  N N 104 
GLU H    H  N N 105 
GLU H2   H  N N 106 
GLU HA   H  N N 107 
GLU HB2  H  N N 108 
GLU HB3  H  N N 109 
GLU HG2  H  N N 110 
GLU HG3  H  N N 111 
GLU HE2  H  N N 112 
GLU HXT  H  N N 113 
GLY N    N  N N 114 
GLY CA   C  N N 115 
GLY C    C  N N 116 
GLY O    O  N N 117 
GLY OXT  O  N N 118 
GLY H    H  N N 119 
GLY H2   H  N N 120 
GLY HA2  H  N N 121 
GLY HA3  H  N N 122 
GLY HXT  H  N N 123 
HIS N    N  N N 124 
HIS CA   C  N S 125 
HIS C    C  N N 126 
HIS O    O  N N 127 
HIS CB   C  N N 128 
HIS CG   C  Y N 129 
HIS ND1  N  Y N 130 
HIS CD2  C  Y N 131 
HIS CE1  C  Y N 132 
HIS NE2  N  Y N 133 
HIS OXT  O  N N 134 
HIS H    H  N N 135 
HIS H2   H  N N 136 
HIS HA   H  N N 137 
HIS HB2  H  N N 138 
HIS HB3  H  N N 139 
HIS HD1  H  N N 140 
HIS HD2  H  N N 141 
HIS HE1  H  N N 142 
HIS HE2  H  N N 143 
HIS HXT  H  N N 144 
HOH O    O  N N 145 
HOH H1   H  N N 146 
HOH H2   H  N N 147 
ILE N    N  N N 148 
ILE CA   C  N S 149 
ILE C    C  N N 150 
ILE O    O  N N 151 
ILE CB   C  N S 152 
ILE CG1  C  N N 153 
ILE CG2  C  N N 154 
ILE CD1  C  N N 155 
ILE OXT  O  N N 156 
ILE H    H  N N 157 
ILE H2   H  N N 158 
ILE HA   H  N N 159 
ILE HB   H  N N 160 
ILE HG12 H  N N 161 
ILE HG13 H  N N 162 
ILE HG21 H  N N 163 
ILE HG22 H  N N 164 
ILE HG23 H  N N 165 
ILE HD11 H  N N 166 
ILE HD12 H  N N 167 
ILE HD13 H  N N 168 
ILE HXT  H  N N 169 
LEU N    N  N N 170 
LEU CA   C  N S 171 
LEU C    C  N N 172 
LEU O    O  N N 173 
LEU CB   C  N N 174 
LEU CG   C  N N 175 
LEU CD1  C  N N 176 
LEU CD2  C  N N 177 
LEU OXT  O  N N 178 
LEU H    H  N N 179 
LEU H2   H  N N 180 
LEU HA   H  N N 181 
LEU HB2  H  N N 182 
LEU HB3  H  N N 183 
LEU HG   H  N N 184 
LEU HD11 H  N N 185 
LEU HD12 H  N N 186 
LEU HD13 H  N N 187 
LEU HD21 H  N N 188 
LEU HD22 H  N N 189 
LEU HD23 H  N N 190 
LEU HXT  H  N N 191 
LYS N    N  N N 192 
LYS CA   C  N S 193 
LYS C    C  N N 194 
LYS O    O  N N 195 
LYS CB   C  N N 196 
LYS CG   C  N N 197 
LYS CD   C  N N 198 
LYS CE   C  N N 199 
LYS NZ   N  N N 200 
LYS OXT  O  N N 201 
LYS H    H  N N 202 
LYS H2   H  N N 203 
LYS HA   H  N N 204 
LYS HB2  H  N N 205 
LYS HB3  H  N N 206 
LYS HG2  H  N N 207 
LYS HG3  H  N N 208 
LYS HD2  H  N N 209 
LYS HD3  H  N N 210 
LYS HE2  H  N N 211 
LYS HE3  H  N N 212 
LYS HZ1  H  N N 213 
LYS HZ2  H  N N 214 
LYS HZ3  H  N N 215 
LYS HXT  H  N N 216 
MET N    N  N N 217 
MET CA   C  N S 218 
MET C    C  N N 219 
MET O    O  N N 220 
MET CB   C  N N 221 
MET CG   C  N N 222 
MET SD   S  N N 223 
MET CE   C  N N 224 
MET OXT  O  N N 225 
MET H    H  N N 226 
MET H2   H  N N 227 
MET HA   H  N N 228 
MET HB2  H  N N 229 
MET HB3  H  N N 230 
MET HG2  H  N N 231 
MET HG3  H  N N 232 
MET HE1  H  N N 233 
MET HE2  H  N N 234 
MET HE3  H  N N 235 
MET HXT  H  N N 236 
PHE N    N  N N 237 
PHE CA   C  N S 238 
PHE C    C  N N 239 
PHE O    O  N N 240 
PHE CB   C  N N 241 
PHE CG   C  Y N 242 
PHE CD1  C  Y N 243 
PHE CD2  C  Y N 244 
PHE CE1  C  Y N 245 
PHE CE2  C  Y N 246 
PHE CZ   C  Y N 247 
PHE OXT  O  N N 248 
PHE H    H  N N 249 
PHE H2   H  N N 250 
PHE HA   H  N N 251 
PHE HB2  H  N N 252 
PHE HB3  H  N N 253 
PHE HD1  H  N N 254 
PHE HD2  H  N N 255 
PHE HE1  H  N N 256 
PHE HE2  H  N N 257 
PHE HZ   H  N N 258 
PHE HXT  H  N N 259 
PRO N    N  N N 260 
PRO CA   C  N S 261 
PRO C    C  N N 262 
PRO O    O  N N 263 
PRO CB   C  N N 264 
PRO CG   C  N N 265 
PRO CD   C  N N 266 
PRO OXT  O  N N 267 
PRO H    H  N N 268 
PRO HA   H  N N 269 
PRO HB2  H  N N 270 
PRO HB3  H  N N 271 
PRO HG2  H  N N 272 
PRO HG3  H  N N 273 
PRO HD2  H  N N 274 
PRO HD3  H  N N 275 
PRO HXT  H  N N 276 
QG7 C10  C  N S 277 
QG7 C15  C  Y N 278 
QG7 C17  C  N N 279 
QG7 C11  C  N N 280 
QG7 C12  C  Y N 281 
QG7 C14  C  Y N 282 
QG7 O2   O  N N 283 
QG7 C9   C  N N 284 
QG7 N1   N  N N 285 
QG7 N2   N  N N 286 
QG7 C8   C  N R 287 
QG7 C7   C  N N 288 
QG7 S1   S  N N 289 
QG7 C6   C  N S 290 
QG7 C5   C  N N 291 
QG7 C4   C  N N 292 
QG7 C3   C  N N 293 
QG7 C2   C  N N 294 
QG7 C1   C  N N 295 
QG7 C24  C  N N 296 
QG7 O1   O  N N 297 
QG7 N6   N  N N 298 
QG7 C23  C  N N 299 
QG7 N3   N  N N 300 
QG7 N4   N  Y N 301 
QG7 C16  C  Y N 302 
QG7 C13  C  Y N 303 
QG7 N5   N  Y N 304 
QG7 C18  C  Y N 305 
QG7 C22  C  Y N 306 
QG7 C21  C  Y N 307 
QG7 C20  C  Y N 308 
QG7 C19  C  Y N 309 
QG7 H1   H  N N 310 
QG7 H2   H  N N 311 
QG7 H3   H  N N 312 
QG7 H4   H  N N 313 
QG7 H5   H  N N 314 
QG7 H6   H  N N 315 
QG7 H7   H  N N 316 
QG7 H8   H  N N 317 
QG7 H9   H  N N 318 
QG7 H10  H  N N 319 
QG7 H11  H  N N 320 
QG7 H12  H  N N 321 
QG7 H13  H  N N 322 
QG7 H14  H  N N 323 
QG7 H15  H  N N 324 
QG7 H16  H  N N 325 
QG7 H17  H  N N 326 
QG7 H18  H  N N 327 
QG7 H19  H  N N 328 
QG7 H20  H  N N 329 
QG7 H21  H  N N 330 
QG7 H22  H  N N 331 
QG7 H23  H  N N 332 
QG7 H24  H  N N 333 
QG7 H25  H  N N 334 
QG7 H26  H  N N 335 
QG7 H28  H  N N 336 
QG7 H29  H  N N 337 
QG7 H30  H  N N 338 
QG7 H31  H  N N 339 
QG7 H32  H  N N 340 
QG7 H33  H  N N 341 
SER N    N  N N 342 
SER CA   C  N S 343 
SER C    C  N N 344 
SER O    O  N N 345 
SER CB   C  N N 346 
SER OG   O  N N 347 
SER OXT  O  N N 348 
SER H    H  N N 349 
SER H2   H  N N 350 
SER HA   H  N N 351 
SER HB2  H  N N 352 
SER HB3  H  N N 353 
SER HG   H  N N 354 
SER HXT  H  N N 355 
THR N    N  N N 356 
THR CA   C  N S 357 
THR C    C  N N 358 
THR O    O  N N 359 
THR CB   C  N R 360 
THR OG1  O  N N 361 
THR CG2  C  N N 362 
THR OXT  O  N N 363 
THR H    H  N N 364 
THR H2   H  N N 365 
THR HA   H  N N 366 
THR HB   H  N N 367 
THR HG1  H  N N 368 
THR HG21 H  N N 369 
THR HG22 H  N N 370 
THR HG23 H  N N 371 
THR HXT  H  N N 372 
TRP N    N  N N 373 
TRP CA   C  N S 374 
TRP C    C  N N 375 
TRP O    O  N N 376 
TRP CB   C  N N 377 
TRP CG   C  Y N 378 
TRP CD1  C  Y N 379 
TRP CD2  C  Y N 380 
TRP NE1  N  Y N 381 
TRP CE2  C  Y N 382 
TRP CE3  C  Y N 383 
TRP CZ2  C  Y N 384 
TRP CZ3  C  Y N 385 
TRP CH2  C  Y N 386 
TRP OXT  O  N N 387 
TRP H    H  N N 388 
TRP H2   H  N N 389 
TRP HA   H  N N 390 
TRP HB2  H  N N 391 
TRP HB3  H  N N 392 
TRP HD1  H  N N 393 
TRP HE1  H  N N 394 
TRP HE3  H  N N 395 
TRP HZ2  H  N N 396 
TRP HZ3  H  N N 397 
TRP HH2  H  N N 398 
TRP HXT  H  N N 399 
TYR N    N  N N 400 
TYR CA   C  N S 401 
TYR C    C  N N 402 
TYR O    O  N N 403 
TYR CB   C  N N 404 
TYR CG   C  Y N 405 
TYR CD1  C  Y N 406 
TYR CD2  C  Y N 407 
TYR CE1  C  Y N 408 
TYR CE2  C  Y N 409 
TYR CZ   C  Y N 410 
TYR OH   O  N N 411 
TYR OXT  O  N N 412 
TYR H    H  N N 413 
TYR H2   H  N N 414 
TYR HA   H  N N 415 
TYR HB2  H  N N 416 
TYR HB3  H  N N 417 
TYR HD1  H  N N 418 
TYR HD2  H  N N 419 
TYR HE1  H  N N 420 
TYR HE2  H  N N 421 
TYR HH   H  N N 422 
TYR HXT  H  N N 423 
VAL N    N  N N 424 
VAL CA   C  N S 425 
VAL C    C  N N 426 
VAL O    O  N N 427 
VAL CB   C  N N 428 
VAL CG1  C  N N 429 
VAL CG2  C  N N 430 
VAL OXT  O  N N 431 
VAL H    H  N N 432 
VAL H2   H  N N 433 
VAL HA   H  N N 434 
VAL HB   H  N N 435 
VAL HG11 H  N N 436 
VAL HG12 H  N N 437 
VAL HG13 H  N N 438 
VAL HG21 H  N N 439 
VAL HG22 H  N N 440 
VAL HG23 H  N N 441 
VAL HXT  H  N N 442 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
GLN N   CA   sing N N 70  
GLN N   H    sing N N 71  
GLN N   H2   sing N N 72  
GLN CA  C    sing N N 73  
GLN CA  CB   sing N N 74  
GLN CA  HA   sing N N 75  
GLN C   O    doub N N 76  
GLN C   OXT  sing N N 77  
GLN CB  CG   sing N N 78  
GLN CB  HB2  sing N N 79  
GLN CB  HB3  sing N N 80  
GLN CG  CD   sing N N 81  
GLN CG  HG2  sing N N 82  
GLN CG  HG3  sing N N 83  
GLN CD  OE1  doub N N 84  
GLN CD  NE2  sing N N 85  
GLN NE2 HE21 sing N N 86  
GLN NE2 HE22 sing N N 87  
GLN OXT HXT  sing N N 88  
GLU N   CA   sing N N 89  
GLU N   H    sing N N 90  
GLU N   H2   sing N N 91  
GLU CA  C    sing N N 92  
GLU CA  CB   sing N N 93  
GLU CA  HA   sing N N 94  
GLU C   O    doub N N 95  
GLU C   OXT  sing N N 96  
GLU CB  CG   sing N N 97  
GLU CB  HB2  sing N N 98  
GLU CB  HB3  sing N N 99  
GLU CG  CD   sing N N 100 
GLU CG  HG2  sing N N 101 
GLU CG  HG3  sing N N 102 
GLU CD  OE1  doub N N 103 
GLU CD  OE2  sing N N 104 
GLU OE2 HE2  sing N N 105 
GLU OXT HXT  sing N N 106 
GLY N   CA   sing N N 107 
GLY N   H    sing N N 108 
GLY N   H2   sing N N 109 
GLY CA  C    sing N N 110 
GLY CA  HA2  sing N N 111 
GLY CA  HA3  sing N N 112 
GLY C   O    doub N N 113 
GLY C   OXT  sing N N 114 
GLY OXT HXT  sing N N 115 
HIS N   CA   sing N N 116 
HIS N   H    sing N N 117 
HIS N   H2   sing N N 118 
HIS CA  C    sing N N 119 
HIS CA  CB   sing N N 120 
HIS CA  HA   sing N N 121 
HIS C   O    doub N N 122 
HIS C   OXT  sing N N 123 
HIS CB  CG   sing N N 124 
HIS CB  HB2  sing N N 125 
HIS CB  HB3  sing N N 126 
HIS CG  ND1  sing Y N 127 
HIS CG  CD2  doub Y N 128 
HIS ND1 CE1  doub Y N 129 
HIS ND1 HD1  sing N N 130 
HIS CD2 NE2  sing Y N 131 
HIS CD2 HD2  sing N N 132 
HIS CE1 NE2  sing Y N 133 
HIS CE1 HE1  sing N N 134 
HIS NE2 HE2  sing N N 135 
HIS OXT HXT  sing N N 136 
HOH O   H1   sing N N 137 
HOH O   H2   sing N N 138 
ILE N   CA   sing N N 139 
ILE N   H    sing N N 140 
ILE N   H2   sing N N 141 
ILE CA  C    sing N N 142 
ILE CA  CB   sing N N 143 
ILE CA  HA   sing N N 144 
ILE C   O    doub N N 145 
ILE C   OXT  sing N N 146 
ILE CB  CG1  sing N N 147 
ILE CB  CG2  sing N N 148 
ILE CB  HB   sing N N 149 
ILE CG1 CD1  sing N N 150 
ILE CG1 HG12 sing N N 151 
ILE CG1 HG13 sing N N 152 
ILE CG2 HG21 sing N N 153 
ILE CG2 HG22 sing N N 154 
ILE CG2 HG23 sing N N 155 
ILE CD1 HD11 sing N N 156 
ILE CD1 HD12 sing N N 157 
ILE CD1 HD13 sing N N 158 
ILE OXT HXT  sing N N 159 
LEU N   CA   sing N N 160 
LEU N   H    sing N N 161 
LEU N   H2   sing N N 162 
LEU CA  C    sing N N 163 
LEU CA  CB   sing N N 164 
LEU CA  HA   sing N N 165 
LEU C   O    doub N N 166 
LEU C   OXT  sing N N 167 
LEU CB  CG   sing N N 168 
LEU CB  HB2  sing N N 169 
LEU CB  HB3  sing N N 170 
LEU CG  CD1  sing N N 171 
LEU CG  CD2  sing N N 172 
LEU CG  HG   sing N N 173 
LEU CD1 HD11 sing N N 174 
LEU CD1 HD12 sing N N 175 
LEU CD1 HD13 sing N N 176 
LEU CD2 HD21 sing N N 177 
LEU CD2 HD22 sing N N 178 
LEU CD2 HD23 sing N N 179 
LEU OXT HXT  sing N N 180 
LYS N   CA   sing N N 181 
LYS N   H    sing N N 182 
LYS N   H2   sing N N 183 
LYS CA  C    sing N N 184 
LYS CA  CB   sing N N 185 
LYS CA  HA   sing N N 186 
LYS C   O    doub N N 187 
LYS C   OXT  sing N N 188 
LYS CB  CG   sing N N 189 
LYS CB  HB2  sing N N 190 
LYS CB  HB3  sing N N 191 
LYS CG  CD   sing N N 192 
LYS CG  HG2  sing N N 193 
LYS CG  HG3  sing N N 194 
LYS CD  CE   sing N N 195 
LYS CD  HD2  sing N N 196 
LYS CD  HD3  sing N N 197 
LYS CE  NZ   sing N N 198 
LYS CE  HE2  sing N N 199 
LYS CE  HE3  sing N N 200 
LYS NZ  HZ1  sing N N 201 
LYS NZ  HZ2  sing N N 202 
LYS NZ  HZ3  sing N N 203 
LYS OXT HXT  sing N N 204 
MET N   CA   sing N N 205 
MET N   H    sing N N 206 
MET N   H2   sing N N 207 
MET CA  C    sing N N 208 
MET CA  CB   sing N N 209 
MET CA  HA   sing N N 210 
MET C   O    doub N N 211 
MET C   OXT  sing N N 212 
MET CB  CG   sing N N 213 
MET CB  HB2  sing N N 214 
MET CB  HB3  sing N N 215 
MET CG  SD   sing N N 216 
MET CG  HG2  sing N N 217 
MET CG  HG3  sing N N 218 
MET SD  CE   sing N N 219 
MET CE  HE1  sing N N 220 
MET CE  HE2  sing N N 221 
MET CE  HE3  sing N N 222 
MET OXT HXT  sing N N 223 
PHE N   CA   sing N N 224 
PHE N   H    sing N N 225 
PHE N   H2   sing N N 226 
PHE CA  C    sing N N 227 
PHE CA  CB   sing N N 228 
PHE CA  HA   sing N N 229 
PHE C   O    doub N N 230 
PHE C   OXT  sing N N 231 
PHE CB  CG   sing N N 232 
PHE CB  HB2  sing N N 233 
PHE CB  HB3  sing N N 234 
PHE CG  CD1  doub Y N 235 
PHE CG  CD2  sing Y N 236 
PHE CD1 CE1  sing Y N 237 
PHE CD1 HD1  sing N N 238 
PHE CD2 CE2  doub Y N 239 
PHE CD2 HD2  sing N N 240 
PHE CE1 CZ   doub Y N 241 
PHE CE1 HE1  sing N N 242 
PHE CE2 CZ   sing Y N 243 
PHE CE2 HE2  sing N N 244 
PHE CZ  HZ   sing N N 245 
PHE OXT HXT  sing N N 246 
PRO N   CA   sing N N 247 
PRO N   CD   sing N N 248 
PRO N   H    sing N N 249 
PRO CA  C    sing N N 250 
PRO CA  CB   sing N N 251 
PRO CA  HA   sing N N 252 
PRO C   O    doub N N 253 
PRO C   OXT  sing N N 254 
PRO CB  CG   sing N N 255 
PRO CB  HB2  sing N N 256 
PRO CB  HB3  sing N N 257 
PRO CG  CD   sing N N 258 
PRO CG  HG2  sing N N 259 
PRO CG  HG3  sing N N 260 
PRO CD  HD2  sing N N 261 
PRO CD  HD3  sing N N 262 
PRO OXT HXT  sing N N 263 
QG7 C22 C21  doub Y N 264 
QG7 C22 N5   sing Y N 265 
QG7 C21 C20  sing Y N 266 
QG7 N5  C18  doub Y N 267 
QG7 C20 C19  doub Y N 268 
QG7 C18 C19  sing Y N 269 
QG7 C18 C17  sing N N 270 
QG7 C11 N3   sing N N 271 
QG7 C11 C12  sing N N 272 
QG7 N3  C17  sing N N 273 
QG7 N3  C23  sing N N 274 
QG7 O1  C1   doub N N 275 
QG7 C24 C23  sing N N 276 
QG7 C24 N6   sing N N 277 
QG7 C1  N6   sing N N 278 
QG7 C1  C2   sing N N 279 
QG7 N4  C12  doub Y N 280 
QG7 N4  C16  sing Y N 281 
QG7 C12 C13  sing Y N 282 
QG7 C2  C3   sing N N 283 
QG7 C16 C15  doub Y N 284 
QG7 C13 C14  doub Y N 285 
QG7 C3  C4   sing N N 286 
QG7 C15 C14  sing Y N 287 
QG7 C4  C5   sing N N 288 
QG7 C5  C6   sing N N 289 
QG7 C6  C10  sing N N 290 
QG7 C6  S1   sing N N 291 
QG7 N2  C10  sing N N 292 
QG7 N2  C9   sing N N 293 
QG7 C10 C8   sing N N 294 
QG7 S1  C7   sing N N 295 
QG7 C9  O2   doub N N 296 
QG7 C9  N1   sing N N 297 
QG7 C8  C7   sing N N 298 
QG7 C8  N1   sing N N 299 
QG7 C10 H1   sing N N 300 
QG7 C15 H2   sing N N 301 
QG7 C17 H3   sing N N 302 
QG7 C17 H4   sing N N 303 
QG7 C11 H5   sing N N 304 
QG7 C11 H6   sing N N 305 
QG7 C14 H7   sing N N 306 
QG7 N1  H8   sing N N 307 
QG7 N2  H9   sing N N 308 
QG7 C8  H10  sing N N 309 
QG7 C7  H11  sing N N 310 
QG7 C7  H12  sing N N 311 
QG7 C6  H13  sing N N 312 
QG7 C5  H14  sing N N 313 
QG7 C5  H15  sing N N 314 
QG7 C4  H16  sing N N 315 
QG7 C4  H17  sing N N 316 
QG7 C3  H18  sing N N 317 
QG7 C3  H19  sing N N 318 
QG7 C2  H20  sing N N 319 
QG7 C2  H21  sing N N 320 
QG7 C24 H22  sing N N 321 
QG7 C24 H23  sing N N 322 
QG7 N6  H24  sing N N 323 
QG7 C23 H25  sing N N 324 
QG7 C23 H26  sing N N 325 
QG7 C16 H28  sing N N 326 
QG7 C13 H29  sing N N 327 
QG7 C22 H30  sing N N 328 
QG7 C21 H31  sing N N 329 
QG7 C20 H32  sing N N 330 
QG7 C19 H33  sing N N 331 
SER N   CA   sing N N 332 
SER N   H    sing N N 333 
SER N   H2   sing N N 334 
SER CA  C    sing N N 335 
SER CA  CB   sing N N 336 
SER CA  HA   sing N N 337 
SER C   O    doub N N 338 
SER C   OXT  sing N N 339 
SER CB  OG   sing N N 340 
SER CB  HB2  sing N N 341 
SER CB  HB3  sing N N 342 
SER OG  HG   sing N N 343 
SER OXT HXT  sing N N 344 
THR N   CA   sing N N 345 
THR N   H    sing N N 346 
THR N   H2   sing N N 347 
THR CA  C    sing N N 348 
THR CA  CB   sing N N 349 
THR CA  HA   sing N N 350 
THR C   O    doub N N 351 
THR C   OXT  sing N N 352 
THR CB  OG1  sing N N 353 
THR CB  CG2  sing N N 354 
THR CB  HB   sing N N 355 
THR OG1 HG1  sing N N 356 
THR CG2 HG21 sing N N 357 
THR CG2 HG22 sing N N 358 
THR CG2 HG23 sing N N 359 
THR OXT HXT  sing N N 360 
TRP N   CA   sing N N 361 
TRP N   H    sing N N 362 
TRP N   H2   sing N N 363 
TRP CA  C    sing N N 364 
TRP CA  CB   sing N N 365 
TRP CA  HA   sing N N 366 
TRP C   O    doub N N 367 
TRP C   OXT  sing N N 368 
TRP CB  CG   sing N N 369 
TRP CB  HB2  sing N N 370 
TRP CB  HB3  sing N N 371 
TRP CG  CD1  doub Y N 372 
TRP CG  CD2  sing Y N 373 
TRP CD1 NE1  sing Y N 374 
TRP CD1 HD1  sing N N 375 
TRP CD2 CE2  doub Y N 376 
TRP CD2 CE3  sing Y N 377 
TRP NE1 CE2  sing Y N 378 
TRP NE1 HE1  sing N N 379 
TRP CE2 CZ2  sing Y N 380 
TRP CE3 CZ3  doub Y N 381 
TRP CE3 HE3  sing N N 382 
TRP CZ2 CH2  doub Y N 383 
TRP CZ2 HZ2  sing N N 384 
TRP CZ3 CH2  sing Y N 385 
TRP CZ3 HZ3  sing N N 386 
TRP CH2 HH2  sing N N 387 
TRP OXT HXT  sing N N 388 
TYR N   CA   sing N N 389 
TYR N   H    sing N N 390 
TYR N   H2   sing N N 391 
TYR CA  C    sing N N 392 
TYR CA  CB   sing N N 393 
TYR CA  HA   sing N N 394 
TYR C   O    doub N N 395 
TYR C   OXT  sing N N 396 
TYR CB  CG   sing N N 397 
TYR CB  HB2  sing N N 398 
TYR CB  HB3  sing N N 399 
TYR CG  CD1  doub Y N 400 
TYR CG  CD2  sing Y N 401 
TYR CD1 CE1  sing Y N 402 
TYR CD1 HD1  sing N N 403 
TYR CD2 CE2  doub Y N 404 
TYR CD2 HD2  sing N N 405 
TYR CE1 CZ   doub Y N 406 
TYR CE1 HE1  sing N N 407 
TYR CE2 CZ   sing Y N 408 
TYR CE2 HE2  sing N N 409 
TYR CZ  OH   sing N N 410 
TYR OH  HH   sing N N 411 
TYR OXT HXT  sing N N 412 
VAL N   CA   sing N N 413 
VAL N   H    sing N N 414 
VAL N   H2   sing N N 415 
VAL CA  C    sing N N 416 
VAL CA  CB   sing N N 417 
VAL CA  HA   sing N N 418 
VAL C   O    doub N N 419 
VAL C   OXT  sing N N 420 
VAL CB  CG1  sing N N 421 
VAL CB  CG2  sing N N 422 
VAL CB  HB   sing N N 423 
VAL CG1 HG11 sing N N 424 
VAL CG1 HG12 sing N N 425 
VAL CG1 HG13 sing N N 426 
VAL CG2 HG21 sing N N 427 
VAL CG2 HG22 sing N N 428 
VAL CG2 HG23 sing N N 429 
VAL OXT HXT  sing N N 430 
# 
_pdbx_audit_support.funding_organization   
'National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           GM120349 
_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   2QCB 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'I 41 2 2' 
_space_group.name_Hall        'I 4bw 2bw' 
_space_group.IT_number        98 
_space_group.crystal_system   tetragonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    9CST 
_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]   0.017295 
_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]   0.017295 
_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]   0.005431 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C  ? ? 3.54356  2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
CU ? ? 23.42449 5.47274 ? ? 2.18335  24.96234 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
H  ? ? 0.51345  0.48472 ? ? 24.73122 6.32584  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N  ? ? 4.01032  2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O  ? ? 4.49882  3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S  ? ? 9.55732  6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N    . GLY A 1 11  ? 3.98733  17.88873 13.37717  1.000 49.93714 ? 11  GLY A N    1 
ATOM   2    C  CA   . GLY A 1 11  ? 4.90515  18.98048 13.08554  1.000 49.40896 ? 11  GLY A CA   1 
ATOM   3    C  C    . GLY A 1 11  ? 4.43942  20.33489 13.60762  1.000 50.34118 ? 11  GLY A C    1 
ATOM   4    O  O    . GLY A 1 11  ? 3.32597  20.78244 13.29546  1.000 48.27036 ? 11  GLY A O    1 
ATOM   5    H  HA2  . GLY A 1 11  ? 5.76576  18.78434 13.48775  1.000 59.29070 ? 11  GLY A HA2  1 
ATOM   6    H  HA3  . GLY A 1 11  ? 5.01464  19.05161 12.12436  1.000 59.29070 ? 11  GLY A HA3  1 
ATOM   7    N  N    . ARG A 1 12  ? 5.29694  21.01967 14.37846  1.000 49.71316 ? 12  ARG A N    1 
ATOM   8    C  CA   . ARG A 1 12  ? 4.88467  22.28620 14.98605  1.000 48.56084 ? 12  ARG A CA   1 
ATOM   9    C  C    . ARG A 1 12  ? 4.55001  23.32624 13.92178  1.000 43.46537 ? 12  ARG A C    1 
ATOM   10   O  O    . ARG A 1 12  ? 3.59565  24.10550 14.05700  1.000 45.54247 ? 12  ARG A O    1 
ATOM   11   C  CB   . ARG A 1 12  ? 6.01870  22.80830 15.85877  1.000 52.05430 ? 12  ARG A CB   1 
ATOM   12   C  CG   . ARG A 1 12  ? 5.78048  24.19039 16.46253  1.000 55.43029 ? 12  ARG A CG   1 
ATOM   13   C  CD   . ARG A 1 12  ? 6.44792  24.29669 17.85456  1.000 58.42780 ? 12  ARG A CD   1 
ATOM   14   N  NE   . ARG A 1 12  ? 6.31283  23.06058 18.62882  1.000 60.80901 ? 12  ARG A NE   1 
ATOM   15   C  CZ   . ARG A 1 12  ? 7.31006  22.25297 18.98478  1.000 60.48725 ? 12  ARG A CZ   1 
ATOM   16   N  NH1  . ARG A 1 12  ? 8.57310  22.58134 18.78647  1.000 59.03588 ? 12  ARG A NH1  1 
ATOM   17   N  NH2  . ARG A 1 12  ? 7.02863  21.09053 19.57461  1.000 60.37087 ? 12  ARG A NH2  1 
ATOM   18   H  H    . ARG A 1 12  ? 6.10192  20.77693 14.55923  1.000 59.65573 ? 12  ARG A H    1 
ATOM   19   H  HA   . ARG A 1 12  ? 4.09558  22.13531 15.52961  1.000 58.27295 ? 12  ARG A HA   1 
ATOM   20   H  HB2  . ARG A 1 12  ? 6.15190  22.18861 16.59303  1.000 62.46510 ? 12  ARG A HB2  1 
ATOM   21   H  HB3  . ARG A 1 12  ? 6.82290  22.86085 15.31895  1.000 62.46510 ? 12  ARG A HB3  1 
ATOM   22   H  HG2  . ARG A 1 12  ? 6.16322  24.86825 15.88381  1.000 66.51629 ? 12  ARG A HG2  1 
ATOM   23   H  HG3  . ARG A 1 12  ? 4.82763  24.34069 16.56448  1.000 66.51629 ? 12  ARG A HG3  1 
ATOM   24   H  HD2  . ARG A 1 12  ? 7.39360  24.48031 17.74110  1.000 70.11330 ? 12  ARG A HD2  1 
ATOM   25   H  HD3  . ARG A 1 12  ? 6.02839  25.01399 18.35493  1.000 70.11330 ? 12  ARG A HD3  1 
ATOM   26   H  HE   . ARG A 1 12  ? 5.51985  22.83674 18.87515  1.000 72.97076 ? 12  ARG A HE   1 
ATOM   27   H  HH11 . ARG A 1 12  ? 8.76918  23.33364 18.41878  1.000 70.84300 ? 12  ARG A HH11 1 
ATOM   28   H  HH12 . ARG A 1 12  ? 9.19991  22.04298 19.02498  1.000 70.84300 ? 12  ARG A HH12 1 
ATOM   29   H  HH21 . ARG A 1 12  ? 6.21049  20.86968 19.72119  1.000 72.44499 ? 12  ARG A HH21 1 
ATOM   30   H  HH22 . ARG A 1 12  ? 7.66527  20.56173 19.80842  1.000 72.44499 ? 12  ARG A HH22 1 
ATOM   31   N  N    . ASP A 1 13  ? 5.33572  23.36001 12.85474  1.000 36.98584 ? 13  ASP A N    1 
ATOM   32   C  CA   . ASP A 1 13  ? 5.06953  24.22721 11.71896  1.000 31.15697 ? 13  ASP A CA   1 
ATOM   33   C  C    . ASP A 1 13  ? 4.61594  23.46965 10.50015  1.000 29.70134 ? 13  ASP A C    1 
ATOM   34   O  O    . ASP A 1 13  ? 4.71531  24.00697 9.40081   1.000 29.78749 ? 13  ASP A O    1 
ATOM   35   C  CB   . ASP A 1 13  ? 6.30798  25.03303 11.39416  1.000 33.38200 ? 13  ASP A CB   1 
ATOM   36   C  CG   . ASP A 1 13  ? 6.89058  25.64150 12.60809  1.000 31.80494 ? 13  ASP A CG   1 
ATOM   37   O  OD1  . ASP A 1 13  ? 6.18193  26.47808 13.24611  1.000 31.10400 ? 13  ASP A OD1  1 
ATOM   38   O  OD2  . ASP A 1 13  ? 8.00194  25.22380 12.92662  1.000 29.07789 ? 13  ASP A OD2  1 
ATOM   39   H  H    . ASP A 1 13  ? 6.04328  22.87961 12.76428  1.000 44.38296 ? 13  ASP A H    1 
ATOM   40   H  HA   . ASP A 1 13  ? 4.35408  24.83568 11.96141  1.000 37.38832 ? 13  ASP A HA   1 
ATOM   41   H  HB2  . ASP A 1 13  ? 6.97361  24.45168 10.99431  1.000 40.05834 ? 13  ASP A HB2  1 
ATOM   42   H  HB3  . ASP A 1 13  ? 6.07544  25.74459 10.77731  1.000 40.05834 ? 13  ASP A HB3  1 
ATOM   43   N  N    . GLU A 1 14  ? 4.05393  22.27411 10.66907  1.000 30.35149 ? 14  GLU A N    1 
ATOM   44   C  CA   . GLU A 1 14  ? 3.54922  21.51991 9.52161   1.000 29.85218 ? 14  GLU A CA   1 
ATOM   45   C  C    . GLU A 1 14  ? 2.58827  22.37463 8.69282   1.000 28.18325 ? 14  GLU A C    1 
ATOM   46   O  O    . GLU A 1 14  ? 2.75777  22.52054 7.47772   1.000 25.13933 ? 14  GLU A O    1 
ATOM   47   C  CB   . GLU A 1 14  ? 2.87224  20.26346 10.04770  1.000 32.20765 ? 14  GLU A CB   1 
ATOM   48   C  CG   . GLU A 1 14  ? 2.12543  19.46903 9.05754   1.000 35.04425 ? 14  GLU A CG   1 
ATOM   49   C  CD   . GLU A 1 14  ? 1.95748  18.03124 9.52975   1.000 35.80421 ? 14  GLU A CD   1 
ATOM   50   O  OE1  . GLU A 1 14  ? 1.98826  17.78233 10.75760  1.000 39.28657 ? 14  GLU A OE1  1 
ATOM   51   O  OE2  . GLU A 1 14  ? 1.64190  17.17515 8.69128   1.000 35.99920 ? 14  GLU A OE2  1 
ATOM   52   H  H    . GLU A 1 14  ? 3.95327  21.88098 11.42730  1.000 36.42173 ? 14  GLU A H    1 
ATOM   53   H  HA   . GLU A 1 14  ? 4.27533  21.25828 8.93407   1.000 35.82257 ? 14  GLU A HA   1 
ATOM   54   H  HB2  . GLU A 1 14  ? 3.55527  19.68550 10.42231  1.000 38.64913 ? 14  GLU A HB2  1 
ATOM   55   H  HB3  . GLU A 1 14  ? 2.24335  20.52474 10.73845  1.000 38.64913 ? 14  GLU A HB3  1 
ATOM   56   H  HG2  . GLU A 1 14  ? 1.24511  19.85599 8.93029   1.000 42.05305 ? 14  GLU A HG2  1 
ATOM   57   H  HG3  . GLU A 1 14  ? 2.60955  19.46235 8.21701   1.000 42.05305 ? 14  GLU A HG3  1 
ATOM   58   N  N    . ALA A 1 15  ? 1.58302  22.97675 9.33733   1.000 27.78418 ? 15  ALA A N    1 
ATOM   59   C  CA   . ALA A 1 15  ? 0.61246  23.77318 8.57845   1.000 29.27984 ? 15  ALA A CA   1 
ATOM   60   C  C    . ALA A 1 15  ? 1.21085  25.07714 8.04775   1.000 27.96658 ? 15  ALA A C    1 
ATOM   61   O  O    . ALA A 1 15  ? 0.85531  25.52194 6.93727   1.000 31.55345 ? 15  ALA A O    1 
ATOM   62   C  CB   . ALA A 1 15  ? -0.63722 24.00482 9.43139   1.000 33.22607 ? 15  ALA A CB   1 
ATOM   63   H  H    . ALA A 1 15  ? 1.44428  22.94165 10.18533  1.000 33.34097 ? 15  ALA A H    1 
ATOM   64   H  HA   . ALA A 1 15  ? 0.33394  23.27696 7.79290   1.000 35.13575 ? 15  ALA A HA   1 
ATOM   65   H  HB1  . ALA A 1 15  ? -1.28079 24.51612 8.91633   1.000 39.87123 ? 15  ALA A HB1  1 
ATOM   66   H  HB2  . ALA A 1 15  ? -1.01643 23.14610 9.67571   1.000 39.87123 ? 15  ALA A HB2  1 
ATOM   67   H  HB3  . ALA A 1 15  ? -0.38794 24.49561 10.23006  1.000 39.87123 ? 15  ALA A HB3  1 
ATOM   68   N  N    . GLY A 1 16  ? 2.13554  25.69277 8.79425   1.000 23.78971 ? 16  GLY A N    1 
ATOM   69   C  CA   . GLY A 1 16  ? 2.75603  26.91758 8.31508   1.000 21.01830 ? 16  GLY A CA   1 
ATOM   70   C  C    . GLY A 1 16  ? 3.61212  26.70707 7.07733   1.000 18.34122 ? 16  GLY A C    1 
ATOM   71   O  O    . GLY A 1 16  ? 3.67076  27.57354 6.20820   1.000 19.71822 ? 16  GLY A O    1 
ATOM   72   H  H    . GLY A 1 16  ? 2.41122  25.42380 9.56318   1.000 28.54760 ? 16  GLY A H    1 
ATOM   73   H  HA2  . GLY A 1 16  ? 2.06365  27.56144 8.09839   1.000 25.22191 ? 16  GLY A HA2  1 
ATOM   74   H  HA3  . GLY A 1 16  ? 3.31981  27.28346 9.01450   1.000 25.22191 ? 16  GLY A HA3  1 
ATOM   75   N  N    . ILE A 1 17  ? 4.29412  25.55797 6.98234   1.000 17.18735 ? 17  ILE A N    1 
ATOM   76   C  CA   . ILE A 1 17  ? 5.18248  25.27903 5.85157   1.000 16.43214 ? 17  ILE A CA   1 
ATOM   77   C  C    . ILE A 1 17  ? 4.39712  24.76888 4.64170   1.000 16.47775 ? 17  ILE A C    1 
ATOM   78   O  O    . ILE A 1 17  ? 4.69703  25.13133 3.50534   1.000 16.93263 ? 17  ILE A O    1 
ATOM   79   C  CB   . ILE A 1 17  ? 6.29860  24.29337 6.23568   1.000 16.71378 ? 17  ILE A CB   1 
ATOM   80   C  CG1  . ILE A 1 17  ? 7.21368  24.94057 7.26176   1.000 18.76229 ? 17  ILE A CG1  1 
ATOM   81   C  CG2  . ILE A 1 17  ? 7.05866  23.78438 4.99771   1.000 16.69878 ? 17  ILE A CG2  1 
ATOM   82   C  CD1  . ILE A 1 17  ? 8.18569  23.99192 7.93732   1.000 20.32114 ? 17  ILE A CD1  1 
ATOM   83   H  H    . ILE A 1 17  ? 4.25895  24.92301 7.56129   1.000 20.62477 ? 17  ILE A H    1 
ATOM   84   H  HA   . ILE A 1 17  ? 5.60330  26.11983 5.61309   1.000 19.71851 ? 17  ILE A HA   1 
ATOM   85   H  HB   . ILE A 1 17  ? 5.89994  23.50766 6.64143   1.000 20.05648 ? 17  ILE A HB   1 
ATOM   86   H  HG12 . ILE A 1 17  ? 7.73673  25.62656 6.81820   1.000 22.51469 ? 17  ILE A HG12 1 
ATOM   87   H  HG13 . ILE A 1 17  ? 6.66502  25.33849 7.95568   1.000 22.51469 ? 17  ILE A HG13 1 
ATOM   88   H  HG21 . ILE A 1 17  ? 7.88646  23.36797 5.28449   1.000 20.03848 ? 17  ILE A HG21 1 
ATOM   89   H  HG22 . ILE A 1 17  ? 6.50650  23.13674 4.53233   1.000 20.03848 ? 17  ILE A HG22 1 
ATOM   90   H  HG23 . ILE A 1 17  ? 7.25082  24.53516 4.41435   1.000 20.03848 ? 17  ILE A HG23 1 
ATOM   91   H  HD11 . ILE A 1 17  ? 8.68693  24.47933 8.60969   1.000 24.38532 ? 17  ILE A HD11 1 
ATOM   92   H  HD12 . ILE A 1 17  ? 7.68647  23.27217 8.35403   1.000 24.38532 ? 17  ILE A HD12 1 
ATOM   93   H  HD13 . ILE A 1 17  ? 8.79074  23.63177 7.27015   1.000 24.38532 ? 17  ILE A HD13 1 
ATOM   94   N  N    . THR A 1 18  ? 3.42119  23.88760 4.84115   1.000 16.54600 ? 18  THR A N    1 
ATOM   95   C  CA   . THR A 1 18  ? 2.70920  23.30650 3.70335   1.000 16.53109 ? 18  THR A CA   1 
ATOM   96   C  C    . THR A 1 18  ? 2.02977  24.38260 2.87214   1.000 17.30588 ? 18  THR A C    1 
ATOM   97   O  O    . THR A 1 18  ? 1.30909  25.22341 3.41239   1.000 19.71086 ? 18  THR A O    1 
ATOM   98   C  CB   . THR A 1 18  ? 1.66296  22.31473 4.22561   1.000 17.55763 ? 18  THR A CB   1 
ATOM   99   O  OG1  . THR A 1 18  ? 2.34587  21.21554 4.83221   1.000 18.07441 ? 18  THR A OG1  1 
ATOM   100  C  CG2  . THR A 1 18  ? 0.76783  21.82471 3.13168   1.000 19.59200 ? 18  THR A CG2  1 
ATOM   101  H  H    . THR A 1 18  ? 3.15508  23.61282 5.61140   1.000 19.85515 ? 18  THR A H    1 
ATOM   102  H  HA   . THR A 1 18  ? 3.33992  22.84394 3.12965   1.000 19.83725 ? 18  THR A HA   1 
ATOM   103  H  HB   . THR A 1 18  ? 1.09177  22.75346 4.87535   1.000 21.06910 ? 18  THR A HB   1 
ATOM   104  H  HG1  . THR A 1 18  ? 2.86618  21.49491 5.42956   1.000 21.68924 ? 18  THR A HG1  1 
ATOM   105  H  HG21 . THR A 1 18  ? 0.27173  21.04723 3.43219   1.000 23.51034 ? 18  THR A HG21 1 
ATOM   106  H  HG22 . THR A 1 18  ? 0.14053  22.52033 2.87968   1.000 23.51034 ? 18  THR A HG22 1 
ATOM   107  H  HG23 . THR A 1 18  ? 1.29572  21.58056 2.35539   1.000 23.51034 ? 18  THR A HG23 1 
ATOM   108  N  N    . GLY A 1 19  ? 2.18938  24.30364 1.56460   1.000 16.54971 ? 19  GLY A N    1 
ATOM   109  C  CA   . GLY A 1 19  ? 1.55353  25.22211 0.66933   1.000 17.21284 ? 19  GLY A CA   1 
ATOM   110  C  C    . GLY A 1 19  ? 2.43097  25.62745 -0.47660  1.000 15.84101 ? 19  GLY A C    1 
ATOM   111  O  O    . GLY A 1 19  ? 3.44338  25.01166 -0.76118  1.000 17.14648 ? 19  GLY A O    1 
ATOM   112  H  H    . GLY A 1 19  ? 2.67336  23.71078 1.17233   1.000 19.85960 ? 19  GLY A H    1 
ATOM   113  H  HA2  . GLY A 1 19  ? 0.75304  24.81163 0.30653   1.000 20.65536 ? 19  GLY A HA2  1 
ATOM   114  H  HA3  . GLY A 1 19  ? 1.30457  26.02266 1.15721   1.000 20.65536 ? 19  GLY A HA3  1 
ATOM   115  N  N    . THR A 1 20  ? 2.01824  26.70091 -1.12627  1.000 16.79212 ? 20  THR A N    1 
ATOM   116  C  CA   . THR A 1 20  ? 2.69539  27.27514 -2.26708  1.000 15.71278 ? 20  THR A CA   1 
ATOM   117  C  C    . THR A 1 20  ? 3.47900  28.49702 -1.84231  1.000 18.13222 ? 20  THR A C    1 
ATOM   118  O  O    . THR A 1 20  ? 2.93959  29.38518 -1.17247  1.000 19.33888 ? 20  THR A O    1 
ATOM   119  C  CB   . THR A 1 20  ? 1.69623  27.64038 -3.35081  1.000 17.02345 ? 20  THR A CB   1 
ATOM   120  O  OG1  . THR A 1 20  ? 0.95169  26.47453 -3.74112  1.000 19.81035 ? 20  THR A OG1  1 
ATOM   121  C  CG2  . THR A 1 20  ? 2.34867  28.20818 -4.54248  1.000 18.37477 ? 20  THR A CG2  1 
ATOM   122  H  H    . THR A 1 20  ? 1.30872  27.13678 -0.91130  1.000 20.15049 ? 20  THR A H    1 
ATOM   123  H  HA   . THR A 1 20  ? 3.32238  26.62939 -2.62873  1.000 18.85528 ? 20  THR A HA   1 
ATOM   124  H  HB   . THR A 1 20  ? 1.09939  28.31580 -2.99234  1.000 20.42809 ? 20  THR A HB   1 
ATOM   125  H  HG1  . THR A 1 20  ? 1.45967  25.92242 -4.11892  1.000 23.77236 ? 20  THR A HG1  1 
ATOM   126  H  HG21 . THR A 1 20  ? 1.69770  28.32859 -5.25145  1.000 22.04967 ? 20  THR A HG21 1 
ATOM   127  H  HG22 . THR A 1 20  ? 2.74229  29.06818 -4.32714  1.000 22.04967 ? 20  THR A HG22 1 
ATOM   128  H  HG23 . THR A 1 20  ? 3.04703  27.61157 -4.85433  1.000 22.04967 ? 20  THR A HG23 1 
ATOM   129  N  N    . TRP A 1 21  ? 4.74188  28.54195 -2.23981  1.000 15.69882 ? 21  TRP A N    1 
ATOM   130  C  CA   . TRP A 1 21  ? 5.63864  29.63045 -1.94508  1.000 14.65296 ? 21  TRP A CA   1 
ATOM   131  C  C    . TRP A 1 21  ? 6.22607  30.15449 -3.24921  1.000 14.17610 ? 21  TRP A C    1 
ATOM   132  O  O    . TRP A 1 21  ? 6.37037  29.41836 -4.23854  1.000 14.93814 ? 21  TRP A O    1 
ATOM   133  C  CB   . TRP A 1 21  ? 6.77743  29.12179 -1.05680  1.000 15.57329 ? 21  TRP A CB   1 
ATOM   134  C  CG   . TRP A 1 21  ? 6.33702  28.66401 0.31949   1.000 14.55441 ? 21  TRP A CG   1 
ATOM   135  C  CD1  . TRP A 1 21  ? 5.80986  27.44941 0.66939   1.000 15.45396 ? 21  TRP A CD1  1 
ATOM   136  C  CD2  . TRP A 1 21  ? 6.34860  29.43503 1.51784   1.000 14.26144 ? 21  TRP A CD2  1 
ATOM   137  N  NE1  . TRP A 1 21  ? 5.55328  27.40026 1.99692   1.000 16.21995 ? 21  TRP A NE1  1 
ATOM   138  C  CE2  . TRP A 1 21  ? 5.87741  28.60076 2.54866   1.000 15.77459 ? 21  TRP A CE2  1 
ATOM   139  C  CE3  . TRP A 1 21  ? 6.78930  30.72652 1.84320   1.000 15.10323 ? 21  TRP A CE3  1 
ATOM   140  C  CZ2  . TRP A 1 21  ? 5.78913  29.02395 3.86420   1.000 16.51703 ? 21  TRP A CZ2  1 
ATOM   141  C  CZ3  . TRP A 1 21  ? 6.72286  31.13680 3.16093   1.000 16.65573 ? 21  TRP A CZ3  1 
ATOM   142  C  CH2  . TRP A 1 21  ? 6.21512  30.28899 4.15042   1.000 18.22248 ? 21  TRP A CH2  1 
ATOM   143  H  H    . TRP A 1 21  ? 5.11392  27.92052 -2.70351  1.000 18.83853 ? 21  TRP A H    1 
ATOM   144  H  HA   . TRP A 1 21  ? 5.16797  30.35525 -1.50459  1.000 17.58350 ? 21  TRP A HA   1 
ATOM   145  H  HB2  . TRP A 1 21  ? 7.19992  28.36725 -1.49619  1.000 18.68789 ? 21  TRP A HB2  1 
ATOM   146  H  HB3  . TRP A 1 21  ? 7.42028  29.83814 -0.93643  1.000 18.68789 ? 21  TRP A HB3  1 
ATOM   147  H  HD1  . TRP A 1 21  ? 5.64985  26.75247 0.07477   1.000 18.54470 ? 21  TRP A HD1  1 
ATOM   148  H  HE1  . TRP A 1 21  ? 5.23756  26.72236 2.42162   1.000 19.46388 ? 21  TRP A HE1  1 
ATOM   149  H  HE3  . TRP A 1 21  ? 7.11945  31.29497 1.18535   1.000 18.12383 ? 21  TRP A HE3  1 
ATOM   150  H  HZ2  . TRP A 1 21  ? 5.45205  28.46690 4.52826   1.000 19.82038 ? 21  TRP A HZ2  1 
ATOM   151  H  HZ3  . TRP A 1 21  ? 7.01946  31.98723 3.39268   1.000 19.98683 ? 21  TRP A HZ3  1 
ATOM   152  H  HH2  . TRP A 1 21  ? 6.16635  30.59525 5.02719   1.000 21.86693 ? 21  TRP A HH2  1 
ATOM   153  N  N    . TYR A 1 22  ? 6.67617  31.40931 -3.19920  1.000 15.55270 ? 22  TYR A N    1 
ATOM   154  C  CA   . TYR A 1 22  ? 7.25326  32.05339 -4.35248  1.000 14.39344 ? 22  TYR A CA   1 
ATOM   155  C  C    . TYR A 1 22  ? 8.53216  32.76857 -3.94943  1.000 14.85918 ? 22  TYR A C    1 
ATOM   156  O  O    . TYR A 1 22  ? 8.57848  33.36629 -2.87298  1.000 15.28864 ? 22  TYR A O    1 
ATOM   157  C  CB   . TYR A 1 22  ? 6.27282  33.11019 -4.83462  1.000 16.41903 ? 22  TYR A CB   1 
ATOM   158  C  CG   . TYR A 1 22  ? 4.83338  32.59284 -5.06432  1.000 16.12799 ? 22  TYR A CG   1 
ATOM   159  C  CD1  . TYR A 1 22  ? 4.51030  31.95101 -6.23456  1.000 19.00927 ? 22  TYR A CD1  1 
ATOM   160  C  CD2  . TYR A 1 22  ? 3.83292  32.67560 -4.06508  1.000 17.57961 ? 22  TYR A CD2  1 
ATOM   161  C  CE1  . TYR A 1 22  ? 3.21041  31.49767 -6.49373  1.000 18.11566 ? 22  TYR A CE1  1 
ATOM   162  C  CE2  . TYR A 1 22  ? 2.57021  32.18046 -4.24665  1.000 17.20255 ? 22  TYR A CE2  1 
ATOM   163  C  CZ   . TYR A 1 22  ? 2.25154  31.60846 -5.46543  1.000 17.80181 ? 22  TYR A CZ   1 
ATOM   164  O  OH   . TYR A 1 22  ? 0.96828  31.12768 -5.71550  1.000 18.22562 ? 22  TYR A OH   1 
ATOM   165  H  H    . TYR A 1 22  ? 6.65276  31.90352 -2.49577  1.000 18.66319 ? 22  TYR A H    1 
ATOM   166  H  HA   . TYR A 1 22  ? 7.46163  31.40525 -5.04341  1.000 17.27207 ? 22  TYR A HA   1 
ATOM   167  H  HB2  . TYR A 1 22  ? 6.22794  33.81585 -4.17060  1.000 19.70279 ? 22  TYR A HB2  1 
ATOM   168  H  HB3  . TYR A 1 22  ? 6.59356  33.46760 -5.67740  1.000 19.70279 ? 22  TYR A HB3  1 
ATOM   169  H  HD1  . TYR A 1 22  ? 5.17276  31.81350 -6.87263  1.000 22.81107 ? 22  TYR A HD1  1 
ATOM   170  H  HD2  . TYR A 1 22  ? 4.04207  33.08178 -3.25504  1.000 21.09548 ? 22  TYR A HD2  1 
ATOM   171  H  HE1  . TYR A 1 22  ? 2.98623  31.13419 -7.31989  1.000 21.73873 ? 22  TYR A HE1  1 
ATOM   172  H  HE2  . TYR A 1 22  ? 1.93936  32.22746 -3.56495  1.000 20.64301 ? 22  TYR A HE2  1 
ATOM   173  H  HH   . TYR A 1 22  ? 0.45249  31.34644 -5.08963  1.000 21.87069 ? 22  TYR A HH   1 
ATOM   174  N  N    . ASN A 1 23  ? 9.58682  32.71576 -4.78592  1.000 14.11563 ? 23  ASN A N    1 
ATOM   175  C  CA   . ASN A 1 23  ? 10.79282 33.47064 -4.45863  1.000 13.31644 ? 23  ASN A CA   1 
ATOM   176  C  C    . ASN A 1 23  ? 10.88601 34.74016 -5.28500  1.000 14.53853 ? 23  ASN A C    1 
ATOM   177  O  O    . ASN A 1 23  ? 10.01403 35.08579 -6.09457  1.000 15.57589 ? 23  ASN A O    1 
ATOM   178  C  CB   . ASN A 1 23  ? 12.03617 32.59381 -4.50398  1.000 13.26010 ? 23  ASN A CB   1 
ATOM   179  C  CG   . ASN A 1 23  ? 12.48071 32.21435 -5.91279  1.000 12.88412 ? 23  ASN A CG   1 
ATOM   180  O  OD1  . ASN A 1 23  ? 11.99055 32.75608 -6.91987  1.000 13.17665 ? 23  ASN A OD1  1 
ATOM   181  N  ND2  . ASN A 1 23  ? 13.43499 31.31166 -6.02120  1.000 12.93162 ? 23  ASN A ND2  1 
ATOM   182  H  H    . ASN A 1 23  ? 9.61741  32.26495 -5.51765  1.000 16.93870 ? 23  ASN A H    1 
ATOM   183  H  HA   . ASN A 1 23  ? 10.72637 33.76799 -3.53773  1.000 15.97967 ? 23  ASN A HA   1 
ATOM   184  H  HB2  . ASN A 1 23  ? 12.76840 33.07085 -4.08306  1.000 15.91206 ? 23  ASN A HB2  1 
ATOM   185  H  HB3  . ASN A 1 23  ? 11.85472 31.77208 -4.02155  1.000 15.91206 ? 23  ASN A HB3  1 
ATOM   186  H  HD21 . ASN A 1 23  ? 13.71308 31.07115 -6.79864  1.000 15.51789 ? 23  ASN A HD21 1 
ATOM   187  H  HD22 . ASN A 1 23  ? 13.77955 30.96319 -5.31448  1.000 15.51789 ? 23  ASN A HD22 1 
ATOM   188  N  N    . GLN A 1 24  ? 12.00291 35.44392 -5.06679  1.000 14.17218 ? 24  GLN A N    1 
ATOM   189  C  CA   . GLN A 1 24  ? 12.25969 36.74584 -5.67064  1.000 14.98974 ? 24  GLN A CA   1 
ATOM   190  C  C    . GLN A 1 24  ? 12.48029 36.67321 -7.17159  1.000 15.90238 ? 24  GLN A C    1 
ATOM   191  O  O    . GLN A 1 24  ? 12.38872 37.69737 -7.86372  1.000 18.63150 ? 24  GLN A O    1 
ATOM   192  C  CB   . GLN A 1 24  ? 13.42793 37.42515 -4.97010  1.000 15.05586 ? 24  GLN A CB   1 
ATOM   193  C  CG   . GLN A 1 24  ? 14.81408 36.87061 -5.30332  1.000 14.56150 ? 24  GLN A CG   1 
ATOM   194  C  CD   . GLN A 1 24  ? 15.13437 35.49303 -4.77212  1.000 14.43423 ? 24  GLN A CD   1 
ATOM   195  O  OE1  . GLN A 1 24  ? 14.47538 34.95569 -3.87152  1.000 14.65886 ? 24  GLN A OE1  1 
ATOM   196  N  NE2  . GLN A 1 24  ? 16.18444 34.89837 -5.36401  1.000 15.30276 ? 24  GLN A NE2  1 
ATOM   197  H  H    . GLN A 1 24  ? 12.64345 35.17861 -4.55795  1.000 17.00656 ? 24  GLN A H    1 
ATOM   198  H  HA   . GLN A 1 24  ? 11.48065 37.30841 -5.53832  1.000 17.98764 ? 24  GLN A HA   1 
ATOM   199  H  HB2  . GLN A 1 24  ? 13.42643 38.36340 -5.21624  1.000 18.06698 ? 24  GLN A HB2  1 
ATOM   200  H  HB3  . GLN A 1 24  ? 13.30366 37.33318 -4.01250  1.000 18.06698 ? 24  GLN A HB3  1 
ATOM   201  H  HG2  . GLN A 1 24  ? 14.89830 36.82925 -6.26877  1.000 17.47375 ? 24  GLN A HG2  1 
ATOM   202  H  HG3  . GLN A 1 24  ? 15.47730 37.47696 -4.93811  1.000 17.47375 ? 24  GLN A HG3  1 
ATOM   203  H  HE21 . GLN A 1 24  ? 16.61170 35.30431 -5.99032  1.000 18.36326 ? 24  GLN A HE21 1 
ATOM   204  H  HE22 . GLN A 1 24  ? 16.42906 34.11195 -5.11641  1.000 18.36326 ? 24  GLN A HE22 1 
ATOM   205  N  N    . LEU A 1 25  ? 12.74193 35.48937 -7.70343  1.000 15.16165 ? 25  LEU A N    1 
ATOM   206  C  CA   . LEU A 1 25  ? 12.89023 35.26959 -9.13986  1.000 16.45770 ? 25  LEU A CA   1 
ATOM   207  C  C    . LEU A 1 25  ? 11.55977 34.98393 -9.81642  1.000 18.20893 ? 25  LEU A C    1 
ATOM   208  O  O    . LEU A 1 25  ? 11.51458 34.91640 -11.05076 1.000 21.75016 ? 25  LEU A O    1 
ATOM   209  C  CB   . LEU A 1 25  ? 13.87502 34.11264 -9.41824  1.000 16.91356 ? 25  LEU A CB   1 
ATOM   210  C  CG   . LEU A 1 25  ? 15.28226 34.36360 -8.94147  1.000 17.25596 ? 25  LEU A CG   1 
ATOM   211  C  CD1  . LEU A 1 25  ? 16.07826 33.07065 -8.96024  1.000 18.85121 ? 25  LEU A CD1  1 
ATOM   212  C  CD2  . LEU A 1 25  ? 15.96169 35.38465 -9.82425  1.000 21.37765 ? 25  LEU A CD2  1 
ATOM   213  H  H    . LEU A 1 25  ? 12.84211 34.77127 -7.24094  1.000 18.19393 ? 25  LEU A H    1 
ATOM   214  H  HA   . LEU A 1 25  ? 13.27212 36.06572 -9.54140  1.000 19.74918 ? 25  LEU A HA   1 
ATOM   215  H  HB2  . LEU A 1 25  ? 13.55028 33.31635 -8.96950  1.000 20.29621 ? 25  LEU A HB2  1 
ATOM   216  H  HB3  . LEU A 1 25  ? 13.91156 33.96224 -10.37581 1.000 20.29621 ? 25  LEU A HB3  1 
ATOM   217  H  HG   . LEU A 1 25  ? 15.25210 34.70444 -8.03383  1.000 20.70709 ? 25  LEU A HG   1 
ATOM   218  H  HD11 . LEU A 1 25  ? 16.99515 33.26058 -8.70696  1.000 22.62140 ? 25  LEU A HD11 1 
ATOM   219  H  HD12 . LEU A 1 25  ? 15.68341 32.44753 -8.33039  1.000 22.62140 ? 25  LEU A HD12 1 
ATOM   220  H  HD13 . LEU A 1 25  ? 16.05289 32.69714 -9.85509  1.000 22.62140 ? 25  LEU A HD13 1 
ATOM   221  H  HD21 . LEU A 1 25  ? 16.86764 35.52369 -9.50674  1.000 25.65313 ? 25  LEU A HD21 1 
ATOM   222  H  HD22 . LEU A 1 25  ? 15.97783 35.05323 -10.73573 1.000 25.65313 ? 25  LEU A HD22 1 
ATOM   223  H  HD23 . LEU A 1 25  ? 15.46555 36.21718 -9.78374  1.000 25.65313 ? 25  LEU A HD23 1 
ATOM   224  N  N    . GLY A 1 26  ? 10.50541 34.73796 -9.03840  1.000 17.80700 ? 26  GLY A N    1 
ATOM   225  C  CA   . GLY A 1 26  ? 9.25167  34.26452 -9.57882  1.000 19.57965 ? 26  GLY A CA   1 
ATOM   226  C  C    . GLY A 1 26  ? 9.11869  32.76096 -9.67478  1.000 18.00442 ? 26  GLY A C    1 
ATOM   227  O  O    . GLY A 1 26  ? 8.15648  32.28305 -10.27156 1.000 19.83243 ? 26  GLY A O    1 
ATOM   228  H  H    . GLY A 1 26  ? 10.49984 34.84157 -8.18468  1.000 21.36834 ? 26  GLY A H    1 
ATOM   229  H  HA2  . GLY A 1 26  ? 8.53065  34.58860 -9.01669  1.000 23.49552 ? 26  GLY A HA2  1 
ATOM   230  H  HA3  . GLY A 1 26  ? 9.14330  34.62728 -10.47189 1.000 23.49552 ? 26  GLY A HA3  1 
ATOM   231  N  N    . SER A 1 27  ? 10.04893 32.00436 -9.09487  1.000 14.57122 ? 27  SER A N    1 
ATOM   232  C  CA   . SER A 1 27  ? 9.89168  30.56532 -9.03534  1.000 13.78979 ? 27  SER A CA   1 
ATOM   233  C  C    . SER A 1 27  ? 8.83661  30.14347 -8.00440  1.000 13.46049 ? 27  SER A C    1 
ATOM   234  O  O    . SER A 1 27  ? 8.53605  30.87005 -7.05806  1.000 15.64587 ? 27  SER A O    1 
ATOM   235  C  CB   . SER A 1 27  ? 11.21810 29.94738 -8.62549  1.000 13.45983 ? 27  SER A CB   1 
ATOM   236  O  OG   . SER A 1 27  ? 12.19140 30.31160 -9.62819  1.000 13.79374 ? 27  SER A OG   1 
ATOM   237  H  H    . SER A 1 27  ? 10.77051 32.30219 -8.73400  1.000 17.48541 ? 27  SER A H    1 
ATOM   238  H  HA   . SER A 1 27  ? 9.60872  30.24342 -9.90552  1.000 16.54770 ? 27  SER A HA   1 
ATOM   239  H  HB2  . SER A 1 27  ? 11.48995 30.29383 -7.76121  1.000 16.15175 ? 27  SER A HB2  1 
ATOM   240  H  HB3  . SER A 1 27  ? 11.13308 28.98200 -8.58411  1.000 16.15175 ? 27  SER A HB3  1 
ATOM   241  H  HG   . SER A 1 27  ? 12.91566 29.91113 -9.48440  1.000 16.55243 ? 27  SER A HG   1 
ATOM   242  N  N    . THR A 1 28  ? 8.25136  28.96283 -8.24329  1.000 14.11442 ? 28  THR A N    1 
ATOM   243  C  CA   . THR A 1 28  ? 7.14822  28.41079 -7.45762  1.000 14.60943 ? 28  THR A CA   1 
ATOM   244  C  C    . THR A 1 28  ? 7.58563  27.12801 -6.77649  1.000 14.17860 ? 28  THR A C    1 
ATOM   245  O  O    . THR A 1 28  ? 7.98569  26.17255 -7.45414  1.000 14.88155 ? 28  THR A O    1 
ATOM   246  C  CB   . THR A 1 28  ? 5.91117  28.12971 -8.34315  1.000 15.99567 ? 28  THR A CB   1 
ATOM   247  O  OG1  . THR A 1 28  ? 5.57771  29.30504 -9.05382  1.000 19.80099 ? 28  THR A OG1  1 
ATOM   248  C  CG2  . THR A 1 28  ? 4.72391  27.72207 -7.49850  1.000 18.24136 ? 28  THR A CG2  1 
ATOM   249  H  H    . THR A 1 28  ? 8.48953  28.44251 -8.88528  1.000 16.93725 ? 28  THR A H    1 
ATOM   250  H  HA   . THR A 1 28  ? 6.91408  29.05685 -6.77302  1.000 17.53126 ? 28  THR A HA   1 
ATOM   251  H  HB   . THR A 1 28  ? 6.11261  27.40706 -8.95805  1.000 19.19475 ? 28  THR A HB   1 
ATOM   252  H  HG1  . THR A 1 28  ? 6.14705  29.44889 -9.65445  1.000 23.76114 ? 28  THR A HG1  1 
ATOM   253  H  HG21 . THR A 1 28  ? 3.92353  27.68847 -8.04546  1.000 21.88957 ? 28  THR A HG21 1 
ATOM   254  H  HG22 . THR A 1 28  ? 4.87746  26.84614 -7.11111  1.000 21.88957 ? 28  THR A HG22 1 
ATOM   255  H  HG23 . THR A 1 28  ? 4.58973  28.36346 -6.78329  1.000 21.88957 ? 28  THR A HG23 1 
ATOM   256  N  N    . PHE A 1 29  ? 7.47642  27.11397 -5.45915  1.000 13.63940 ? 29  PHE A N    1 
ATOM   257  C  CA   . PHE A 1 29  ? 7.86627  26.01682 -4.57504  1.000 13.78941 ? 29  PHE A CA   1 
ATOM   258  C  C    . PHE A 1 29  ? 6.56846  25.50387 -3.93258  1.000 14.45520 ? 29  PHE A C    1 
ATOM   259  O  O    . PHE A 1 29  ? 5.96927  26.21820 -3.13632  1.000 15.71694 ? 29  PHE A O    1 
ATOM   260  C  CB   . PHE A 1 29  ? 8.88729  26.56561 -3.56420  1.000 13.65908 ? 29  PHE A CB   1 
ATOM   261  C  CG   . PHE A 1 29  ? 9.20025  25.70562 -2.39733  1.000 14.40875 ? 29  PHE A CG   1 
ATOM   262  C  CD1  . PHE A 1 29  ? 9.48071  24.36572 -2.52232  1.000 15.07513 ? 29  PHE A CD1  1 
ATOM   263  C  CD2  . PHE A 1 29  ? 9.32275  26.28966 -1.14345  1.000 15.81070 ? 29  PHE A CD2  1 
ATOM   264  C  CE1  . PHE A 1 29  ? 9.86950  23.59002 -1.43423  1.000 14.69912 ? 29  PHE A CE1  1 
ATOM   265  C  CE2  . PHE A 1 29  ? 9.70225  25.50297 -0.06551  1.000 15.54640 ? 29  PHE A CE2  1 
ATOM   266  C  CZ   . PHE A 1 29  ? 9.97663  24.14587 -0.21279  1.000 14.58388 ? 29  PHE A CZ   1 
ATOM   267  H  H    . PHE A 1 29  ? 7.15529  27.77712 -5.01563  1.000 16.36723 ? 29  PHE A H    1 
ATOM   268  H  HA   . PHE A 1 29  ? 8.27386  25.26682 -5.03577  1.000 16.54724 ? 29  PHE A HA   1 
ATOM   269  H  HB2  . PHE A 1 29  ? 9.72174  26.71986 -4.03411  1.000 16.39085 ? 29  PHE A HB2  1 
ATOM   270  H  HB3  . PHE A 1 29  ? 8.54363  27.40272 -3.21486  1.000 16.39085 ? 29  PHE A HB3  1 
ATOM   271  H  HD1  . PHE A 1 29  ? 9.40851  23.96573 -3.35880  1.000 18.09010 ? 29  PHE A HD1  1 
ATOM   272  H  HD2  . PHE A 1 29  ? 9.15257  27.19661 -1.02774  1.000 18.97278 ? 29  PHE A HD2  1 
ATOM   273  H  HE1  . PHE A 1 29  ? 10.05557 22.68635 -1.55106  1.000 17.63889 ? 29  PHE A HE1  1 
ATOM   274  H  HE2  . PHE A 1 29  ? 9.77516  25.89167 0.77621   1.000 18.65563 ? 29  PHE A HE2  1 
ATOM   275  H  HZ   . PHE A 1 29  ? 10.22957 23.63221 0.52007   1.000 17.50061 ? 29  PHE A HZ   1 
ATOM   276  N  N    . ILE A 1 30  ? 6.13633  24.29882 -4.30222  1.000 14.12366 ? 30  ILE A N    1 
ATOM   277  C  CA   . ILE A 1 30  ? 4.93225  23.68195 -3.78794  1.000 14.87911 ? 30  ILE A CA   1 
ATOM   278  C  C    . ILE A 1 30  ? 5.35433  22.54662 -2.88224  1.000 14.60477 ? 30  ILE A C    1 
ATOM   279  O  O    . ILE A 1 30  ? 6.06480  21.63797 -3.31395  1.000 16.57258 ? 30  ILE A O    1 
ATOM   280  C  CB   . ILE A 1 30  ? 4.08234  23.17575 -4.95774  1.000 16.57275 ? 30  ILE A CB   1 
ATOM   281  C  CG1  . ILE A 1 30  ? 3.56076  24.39609 -5.75855  1.000 19.10950 ? 30  ILE A CG1  1 
ATOM   282  C  CG2  . ILE A 1 30  ? 2.94574  22.30364 -4.45158  1.000 20.24287 ? 30  ILE A CG2  1 
ATOM   283  C  CD1  . ILE A 1 30  ? 2.72035  24.08435 -6.97322  1.000 21.47465 ? 30  ILE A CD1  1 
ATOM   284  H  H    . ILE A 1 30  ? 6.54668  23.80485 -4.87425  1.000 16.94834 ? 30  ILE A H    1 
ATOM   285  H  HA   . ILE A 1 30  ? 4.41515  24.30790 -3.25719  1.000 17.85488 ? 30  ILE A HA   1 
ATOM   286  H  HB   . ILE A 1 30  ? 4.62276  22.62493 -5.54549  1.000 19.88725 ? 30  ILE A HB   1 
ATOM   287  H  HG12 . ILE A 1 30  ? 3.01626  24.93700 -5.16540  1.000 22.93135 ? 30  ILE A HG12 1 
ATOM   288  H  HG13 . ILE A 1 30  ? 4.32645  24.90714 -6.06424  1.000 22.93135 ? 30  ILE A HG13 1 
ATOM   289  H  HG21 . ILE A 1 30  ? 2.37671  22.06134 -5.19885  1.000 24.29139 ? 30  ILE A HG21 1 
ATOM   290  H  HG22 . ILE A 1 30  ? 3.31725  21.50464 -4.04603  1.000 24.29139 ? 30  ILE A HG22 1 
ATOM   291  H  HG23 . ILE A 1 30  ? 2.43455  22.80116 -3.79427  1.000 24.29139 ? 30  ILE A HG23 1 
ATOM   292  H  HD11 . ILE A 1 30  ? 2.57399  24.90194 -7.47426  1.000 25.76953 ? 30  ILE A HD11 1 
ATOM   293  H  HD12 . ILE A 1 30  ? 3.18914  23.43817 -7.52421  1.000 25.76953 ? 30  ILE A HD12 1 
ATOM   294  H  HD13 . ILE A 1 30  ? 1.87050  23.71732 -6.68350  1.000 25.76953 ? 30  ILE A HD13 1 
ATOM   295  N  N    . VAL A 1 31  ? 5.00120  22.62350 -1.60438  1.000 14.81828 ? 31  VAL A N    1 
ATOM   296  C  CA   . VAL A 1 31  ? 5.52999  21.67315 -0.62726  1.000 14.69739 ? 31  VAL A CA   1 
ATOM   297  C  C    . VAL A 1 31  ? 4.45940  21.18297 0.32817   1.000 15.78288 ? 31  VAL A C    1 
ATOM   298  O  O    . VAL A 1 31  ? 3.58530  21.93654 0.76142   1.000 16.25922 ? 31  VAL A O    1 
ATOM   299  C  CB   . VAL A 1 31  ? 6.73534  22.29167 0.11294   1.000 14.49515 ? 31  VAL A CB   1 
ATOM   300  C  CG1  . VAL A 1 31  ? 6.30572  23.43994 1.06254   1.000 16.28912 ? 31  VAL A CG1  1 
ATOM   301  C  CG2  . VAL A 1 31  ? 7.54993  21.26305 0.86108   1.000 16.38914 ? 31  VAL A CG2  1 
ATOM   302  H  H    . VAL A 1 31  ? 4.46250  23.21047 -1.28055  1.000 17.78188 ? 31  VAL A H    1 
ATOM   303  H  HA   . VAL A 1 31  ? 5.81138  20.87047 -1.09353  1.000 17.63682 ? 31  VAL A HA   1 
ATOM   304  H  HB   . VAL A 1 31  ? 7.30947  22.66864 -0.57201  1.000 17.39413 ? 31  VAL A HB   1 
ATOM   305  H  HG11 . VAL A 1 31  ? 7.09924  23.88328 1.40118   1.000 19.54689 ? 31  VAL A HG11 1 
ATOM   306  H  HG12 . VAL A 1 31  ? 5.75977  24.07108 0.56808   1.000 19.54689 ? 31  VAL A HG12 1 
ATOM   307  H  HG13 . VAL A 1 31  ? 5.79568  23.06696 1.79851   1.000 19.54689 ? 31  VAL A HG13 1 
ATOM   308  H  HG21 . VAL A 1 31  ? 8.31991  21.69854 1.25903   1.000 19.66691 ? 31  VAL A HG21 1 
ATOM   309  H  HG22 . VAL A 1 31  ? 6.99889  20.86712 1.55426   1.000 19.66691 ? 31  VAL A HG22 1 
ATOM   310  H  HG23 . VAL A 1 31  ? 7.84193  20.57827 0.23921   1.000 19.66691 ? 31  VAL A HG23 1 
ATOM   311  N  N    . THR A 1 32  ? 4.58159  19.93772 0.73662   1.000 16.11537 ? 32  THR A N    1 
ATOM   312  C  CA   . THR A 1 32  ? 3.84101  19.37204 1.85457   1.000 16.57734 ? 32  THR A CA   1 
ATOM   313  C  C    . THR A 1 32  ? 4.82520  18.95979 2.92601   1.000 15.41724 ? 32  THR A C    1 
ATOM   314  O  O    . THR A 1 32  ? 5.75677  18.20874 2.65635   1.000 16.20672 ? 32  THR A O    1 
ATOM   315  C  CB   . THR A 1 32  ? 2.99354  18.18140 1.41427   1.000 19.04750 ? 32  THR A CB   1 
ATOM   316  O  OG1  . THR A 1 32  ? 2.06447  18.60537 0.40289   1.000 21.70329 ? 32  THR A OG1  1 
ATOM   317  C  CG2  . THR A 1 32  ? 2.22114  17.58959 2.58501   1.000 21.96716 ? 32  THR A CG2  1 
ATOM   318  H  H    . THR A 1 32  ? 5.11157  19.36995 0.36735   1.000 19.33838 ? 32  THR A H    1 
ATOM   319  H  HA   . THR A 1 32  ? 3.24138  20.03849 2.22494   1.000 19.89275 ? 32  THR A HA   1 
ATOM   320  H  HB   . THR A 1 32  ? 3.57647  17.49110 1.06130   1.000 22.85695 ? 32  THR A HB   1 
ATOM   321  H  HG1  . THR A 1 32  ? 2.47512  18.98719 -0.22256  1.000 26.04389 ? 32  THR A HG1  1 
ATOM   322  H  HG21 . THR A 1 32  ? 1.63808  16.87995 2.27300   1.000 26.36054 ? 32  THR A HG21 1 
ATOM   323  H  HG22 . THR A 1 32  ? 2.83785  17.22553 3.23925   1.000 26.36054 ? 32  THR A HG22 1 
ATOM   324  H  HG23 . THR A 1 32  ? 1.68250  18.27638 3.00820   1.000 26.36054 ? 32  THR A HG23 1 
ATOM   325  N  N    . ALA A 1 33  ? 4.57279  19.43119 4.15469   1.000 15.84828 ? 33  ALA A N    1 
ATOM   326  C  CA   . ALA A 1 33  ? 5.35682  19.04800 5.31913   1.000 16.37028 ? 33  ALA A CA   1 
ATOM   327  C  C    . ALA A 1 33  ? 4.62426  17.92173 6.02868   1.000 18.34343 ? 33  ALA A C    1 
ATOM   328  O  O    . ALA A 1 33  ? 3.47445  18.09621 6.43935   1.000 22.29681 ? 33  ALA A O    1 
ATOM   329  C  CB   . ALA A 1 33  ? 5.53745  20.23553 6.24909   1.000 17.36662 ? 33  ALA A CB   1 
ATOM   330  H  H    . ALA A 1 33  ? 3.93907  19.98415 4.33424   1.000 19.01788 ? 33  ALA A H    1 
ATOM   331  H  HA   . ALA A 1 33  ? 6.23413  18.73466 5.04889   1.000 19.64428 ? 33  ALA A HA   1 
ATOM   332  H  HB1  . ALA A 1 33  ? 6.11760  19.97711 6.98226   1.000 20.83990 ? 33  ALA A HB1  1 
ATOM   333  H  HB2  . ALA A 1 33  ? 5.93706  20.96712 5.75311   1.000 20.83990 ? 33  ALA A HB2  1 
ATOM   334  H  HB3  . ALA A 1 33  ? 4.67034  20.50297 6.59186   1.000 20.83990 ? 33  ALA A HB3  1 
ATOM   335  N  N    . GLY A 1 34  ? 5.27216  16.79052 6.17779   1.000 17.58028 ? 34  GLY A N    1 
ATOM   336  C  CA   . GLY A 1 34  ? 4.68375  15.67346 6.89501   1.000 19.48645 ? 34  GLY A CA   1 
ATOM   337  C  C    . GLY A 1 34  ? 4.97483  15.71554 8.39230   1.000 18.41695 ? 34  GLY A C    1 
ATOM   338  O  O    . GLY A 1 34  ? 5.91260  16.33763 8.84966   1.000 19.61713 ? 34  GLY A O    1 
ATOM   339  H  H    . GLY A 1 34  ? 6.06139  16.63696 5.87259   1.000 21.09628 ? 34  GLY A H    1 
ATOM   340  H  HA2  . GLY A 1 34  ? 3.72173  15.68540 6.77146   1.000 23.38369 ? 34  GLY A HA2  1 
ATOM   341  H  HA3  . GLY A 1 34  ? 5.03754  14.84326 6.53933   1.000 23.38369 ? 34  GLY A HA3  1 
ATOM   342  N  N    . ALA A 1 35  ? 4.15249  15.00546 9.13853   1.000 21.12151 ? 35  ALA A N    1 
ATOM   343  C  CA   . ALA A 1 35  ? 4.29764  14.98194 10.58876  1.000 24.37763 ? 35  ALA A CA   1 
ATOM   344  C  C    . ALA A 1 35  ? 5.63225  14.40468 11.02724  1.000 27.11556 ? 35  ALA A C    1 
ATOM   345  O  O    . ALA A 1 35  ? 6.08229  14.70972 12.13053  1.000 32.05264 ? 35  ALA A O    1 
ATOM   346  C  CB   . ALA A 1 35  ? 3.17545  14.15233 11.20054  1.000 25.75046 ? 35  ALA A CB   1 
ATOM   347  H  H    . ALA A 1 35  ? 3.50333  14.52871 8.83705   1.000 25.34576 ? 35  ALA A H    1 
ATOM   348  H  HA   . ALA A 1 35  ? 4.23642  15.89187 10.91919  1.000 29.25310 ? 35  ALA A HA   1 
ATOM   349  H  HB1  . ALA A 1 35  ? 3.28071  14.14095 12.16475  1.000 30.90050 ? 35  ALA A HB1  1 
ATOM   350  H  HB2  . ALA A 1 35  ? 2.32328  14.55167 10.96551  1.000 30.90050 ? 35  ALA A HB2  1 
ATOM   351  H  HB3  . ALA A 1 35  ? 3.22464  13.24855 10.85175  1.000 30.90050 ? 35  ALA A HB3  1 
ATOM   352  N  N    . ASP A 1 36  ? 6.26642  13.59972 10.17620  1.000 25.12240 ? 36  ASP A N    1 
ATOM   353  C  CA   . ASP A 1 36  ? 7.50862  12.88440 10.41855  1.000 27.78064 ? 36  ASP A CA   1 
ATOM   354  C  C    . ASP A 1 36  ? 8.75876  13.67349 10.03764  1.000 23.53480 ? 36  ASP A C    1 
ATOM   355  O  O    . ASP A 1 36  ? 9.85312  13.09903 10.08892  1.000 26.50385 ? 36  ASP A O    1 
ATOM   356  C  CB   . ASP A 1 36  ? 7.47455  11.57078 9.56399   1.000 29.57750 ? 36  ASP A CB   1 
ATOM   357  C  CG   . ASP A 1 36  ? 7.41278  11.83488 8.00484   1.000 33.37777 ? 36  ASP A CG   1 
ATOM   358  O  OD1  . ASP A 1 36  ? 7.03207  12.97668 7.59872   1.000 27.99737 ? 36  ASP A OD1  1 
ATOM   359  O  OD2  . ASP A 1 36  ? 7.69839  10.88041 7.19750   1.000 37.31876 ? 36  ASP A OD2  1 
ATOM   360  H  H    . ASP A 1 36  ? 5.96835  13.44079 9.38531   1.000 30.14683 ? 36  ASP A H    1 
ATOM   361  H  HA   . ASP A 1 36  ? 7.57773  12.67844 11.36391  1.000 33.33671 ? 36  ASP A HA   1 
ATOM   362  H  HB2  . ASP A 1 36  ? 8.27692  11.05721 9.74661   1.000 35.49295 ? 36  ASP A HB2  1 
ATOM   363  H  HB3  . ASP A 1 36  ? 6.68901  11.05744 9.80956   1.000 35.49295 ? 36  ASP A HB3  1 
ATOM   364  N  N    . GLY A 1 37  ? 8.63190  14.93510 9.61879   1.000 18.68889 ? 37  GLY A N    1 
ATOM   365  C  CA   . GLY A 1 37  ? 9.76590  15.69756 9.16867   1.000 15.96489 ? 37  GLY A CA   1 
ATOM   366  C  C    . GLY A 1 37  ? 10.00893 15.72110 7.67777   1.000 14.51984 ? 37  GLY A C    1 
ATOM   367  O  O    . GLY A 1 37  ? 10.97077 16.35574 7.24427   1.000 14.54824 ? 37  GLY A O    1 
ATOM   368  H  H    . GLY A 1 37  ? 7.88679  15.36362 9.59075   1.000 22.42661 ? 37  GLY A H    1 
ATOM   369  H  HA2  . GLY A 1 37  ? 9.64935  16.61622 9.45742   1.000 19.15782 ? 37  GLY A HA2  1 
ATOM   370  H  HA3  . GLY A 1 37  ? 10.56249 15.33400 9.58601   1.000 19.15782 ? 37  GLY A HA3  1 
ATOM   371  N  N    . ALA A 1 38  ? 9.19149  15.06283 6.88047   1.000 15.29457 ? 38  ALA A N    1 
ATOM   372  C  CA   . ALA A 1 38  ? 9.41236  15.01843 5.44098   1.000 15.44207 ? 38  ALA A CA   1 
ATOM   373  C  C    . ALA A 1 38  ? 8.91617  16.27841 4.76009   1.000 14.29057 ? 38  ALA A C    1 
ATOM   374  O  O    . ALA A 1 38  ? 7.89878  16.86062 5.14531   1.000 16.15870 ? 38  ALA A O    1 
ATOM   375  C  CB   . ALA A 1 38  ? 8.62285  13.85032 4.84223   1.000 18.86789 ? 38  ALA A CB   1 
ATOM   376  H  H    . ALA A 1 38  ? 8.49689  14.62994 7.14457   1.000 18.35343 ? 38  ALA A H    1 
ATOM   377  H  HA   . ALA A 1 38  ? 10.36372 14.92139 5.27847   1.000 18.53043 ? 38  ALA A HA   1 
ATOM   378  H  HB1  . ALA A 1 38  ? 8.80420  13.80142 3.89059   1.000 22.64142 ? 38  ALA A HB1  1 
ATOM   379  H  HB2  . ALA A 1 38  ? 8.89994  13.02735 5.27449   1.000 22.64142 ? 38  ALA A HB2  1 
ATOM   380  H  HB3  . ALA A 1 38  ? 7.67608  13.99971 4.99129   1.000 22.64142 ? 38  ALA A HB3  1 
ATOM   381  N  N    . LEU A 1 39  ? 9.61737  16.64840 3.69111   1.000 13.88133 ? 39  LEU A N    1 
ATOM   382  C  CA   . LEU A 1 39  ? 9.13574  17.63305 2.72134   1.000 13.87807 ? 39  LEU A CA   1 
ATOM   383  C  C    . LEU A 1 39  ? 9.00611  16.93689 1.37916   1.000 13.42439 ? 39  LEU A C    1 
ATOM   384  O  O    . LEU A 1 39  ? 9.93033  16.25243 0.93566   1.000 13.63320 ? 39  LEU A O    1 
ATOM   385  C  CB   . LEU A 1 39  ? 10.09404 18.82641 2.55120   1.000 13.28110 ? 39  LEU A CB   1 
ATOM   386  C  CG   . LEU A 1 39  ? 10.34727 19.63118 3.82775   1.000 14.10321 ? 39  LEU A CG   1 
ATOM   387  C  CD1  . LEU A 1 39  ? 11.38073 20.70575 3.48738   1.000 14.29518 ? 39  LEU A CD1  1 
ATOM   388  C  CD2  . LEU A 1 39  ? 9.10527  20.24156 4.36435   1.000 14.53542 ? 39  LEU A CD2  1 
ATOM   389  H  H    . LEU A 1 39  ? 10.39533 16.33542 3.50028   1.000 16.65754 ? 39  LEU A H    1 
ATOM   390  H  HA   . LEU A 1 39  ? 8.28143  17.97534 3.02775   1.000 16.65363 ? 39  LEU A HA   1 
ATOM   391  H  HB2  . LEU A 1 39  ? 10.95017 18.49142 2.24179   1.000 15.93726 ? 39  LEU A HB2  1 
ATOM   392  H  HB3  . LEU A 1 39  ? 9.71734  19.43177 1.89353   1.000 15.93726 ? 39  LEU A HB3  1 
ATOM   393  H  HG   . LEU A 1 39  ? 10.67515 19.04906 4.53098   1.000 16.92380 ? 39  LEU A HG   1 
ATOM   394  H  HD11 . LEU A 1 39  ? 11.59741 21.20174 4.29233   1.000 17.15417 ? 39  LEU A HD11 1 
ATOM   395  H  HD12 . LEU A 1 39  ? 12.17796 20.27774 3.13790   1.000 17.15417 ? 39  LEU A HD12 1 
ATOM   396  H  HD13 . LEU A 1 39  ? 11.00707 21.30348 2.82105   1.000 17.15417 ? 39  LEU A HD13 1 
ATOM   397  H  HD21 . LEU A 1 39  ? 9.31038  20.69483 5.19704   1.000 17.44245 ? 39  LEU A HD21 1 
ATOM   398  H  HD22 . LEU A 1 39  ? 8.76097  20.87736 3.71774   1.000 17.44245 ? 39  LEU A HD22 1 
ATOM   399  H  HD23 . LEU A 1 39  ? 8.45169  19.54208 4.52078   1.000 17.44245 ? 39  LEU A HD23 1 
ATOM   400  N  N    . THR A 1 40  ? 7.88455  17.13290 0.70208   1.000 13.76173 ? 40  THR A N    1 
ATOM   401  C  CA   . THR A 1 40  ? 7.66191  16.54563 -0.61189  1.000 14.36080 ? 40  THR A CA   1 
ATOM   402  C  C    . THR A 1 40  ? 6.94449  17.59613 -1.44862  1.000 14.54365 ? 40  THR A C    1 
ATOM   403  O  O    . THR A 1 40  ? 6.11776  18.34613 -0.93385  1.000 19.02937 ? 40  THR A O    1 
ATOM   404  C  CB   . THR A 1 40  ? 6.77981  15.28567 -0.52059  1.000 16.54118 ? 40  THR A CB   1 
ATOM   405  O  OG1  A THR A 1 40  ? 5.50428  15.60322 -0.05128  0.499 19.05063 ? 40  THR A OG1  1 
ATOM   406  O  OG1  B THR A 1 40  ? 7.26917  14.50902 0.58624   0.501 18.32065 ? 40  THR A OG1  1 
ATOM   407  C  CG2  A THR A 1 40  ? 7.34516  14.26391 0.36345   0.499 19.16772 ? 40  THR A CG2  1 
ATOM   408  C  CG2  B THR A 1 40  ? 6.72956  14.50561 -1.80339  0.501 18.14767 ? 40  THR A CG2  1 
ATOM   409  H  H    . THR A 1 40  ? 7.22710  17.60915 0.98587   1.000 16.51402 ? 40  THR A H    1 
ATOM   410  H  HA   . THR A 1 40  ? 8.50212  16.29747 -1.02826  1.000 17.23291 ? 40  THR A HA   1 
ATOM   411  H  HB   A THR A 1 40  ? 6.72624  14.91802 -1.41662  0.499 19.84936 ? 40  THR A HB   1 
ATOM   412  H  HB   B THR A 1 40  ? 5.85177  15.52492 -0.37090  0.501 19.84936 ? 40  THR A HB   1 
ATOM   413  H  HG1  A THR A 1 40  ? 5.55576  15.93438 0.71896   0.499 22.86070 ? 40  THR A HG1  1 
ATOM   414  H  HG1  B THR A 1 40  ? 7.11167  14.90751 1.30873   0.501 21.98473 ? 40  THR A HG1  1 
ATOM   415  H  HG21 A THR A 1 40  ? 6.66279  13.93499 0.96932   0.499 23.00121 ? 40  THR A HG21 1 
ATOM   416  H  HG21 B THR A 1 40  ? 6.20445  13.69927 -1.68099  0.501 21.77715 ? 40  THR A HG21 1 
ATOM   417  H  HG22 A THR A 1 40  ? 7.68434  13.52197 -0.16133  0.499 23.00121 ? 40  THR A HG22 1 
ATOM   418  H  HG22 B THR A 1 40  ? 6.32409  15.04225 -2.50233  0.501 21.77715 ? 40  THR A HG22 1 
ATOM   419  H  HG23 A THR A 1 40  ? 8.07255  14.64043 0.88310   0.499 23.00121 ? 40  THR A HG23 1 
ATOM   420  H  HG23 B THR A 1 40  ? 7.62683  14.25848 -2.07677  0.501 21.77715 ? 40  THR A HG23 1 
ATOM   421  N  N    . GLY A 1 41  ? 7.19880  17.64509 -2.75108  1.000 14.43647 ? 41  GLY A N    1 
ATOM   422  C  CA   . GLY A 1 41  ? 6.43675  18.55706 -3.61037  1.000 14.50207 ? 41  GLY A CA   1 
ATOM   423  C  C    . GLY A 1 41  ? 7.13438  18.74986 -4.95082  1.000 13.76744 ? 41  GLY A C    1 
ATOM   424  O  O    . GLY A 1 41  ? 7.76168  17.83150 -5.47523  1.000 13.69921 ? 41  GLY A O    1 
ATOM   425  H  H    . GLY A 1 41  ? 7.79264  17.17343 -3.15666  1.000 17.32371 ? 41  GLY A H    1 
ATOM   426  H  HA2  . GLY A 1 41  ? 5.55137  18.19410 -3.76931  1.000 17.40243 ? 41  GLY A HA2  1 
ATOM   427  H  HA3  . GLY A 1 41  ? 6.35093  19.42051 -3.17678  1.000 17.40243 ? 41  GLY A HA3  1 
ATOM   428  N  N    . THR A 1 42  ? 6.93269  19.93735 -5.51229  1.000 13.25778 ? 42  THR A N    1 
ATOM   429  C  CA   . THR A 1 42  ? 7.43789  20.26620 -6.83551  1.000 13.79049 ? 42  THR A CA   1 
ATOM   430  C  C    . THR A 1 42  ? 8.01516  21.66364 -6.82873  1.000 13.34186 ? 42  THR A C    1 
ATOM   431  O  O    . THR A 1 42  ? 7.61699  22.52416 -6.03510  1.000 14.42355 ? 42  THR A O    1 
ATOM   432  C  CB   . THR A 1 42  ? 6.35457  20.17697 -7.91660  1.000 15.26975 ? 42  THR A CB   1 
ATOM   433  O  OG1  . THR A 1 42  ? 5.34892  21.14406 -7.65925  1.000 16.58081 ? 42  THR A OG1  1 
ATOM   434  C  CG2  . THR A 1 42  ? 5.74925  18.81377 -8.00448  1.000 16.75029 ? 42  THR A CG2  1 
ATOM   435  H  H    . THR A 1 42  ? 6.49850  20.57880 -5.13862  1.000 15.90929 ? 42  THR A H    1 
ATOM   436  H  HA   . THR A 1 42  ? 8.14257  19.63583 -7.05220  1.000 16.54853 ? 42  THR A HA   1 
ATOM   437  H  HB   . THR A 1 42  ? 6.76241  20.35232 -8.77905  1.000 18.32365 ? 42  THR A HB   1 
ATOM   438  H  HG1  . THR A 1 42  ? 4.61855  20.89420 -7.99051  1.000 19.89691 ? 42  THR A HG1  1 
ATOM   439  H  HG21 . THR A 1 42  ? 5.14287  18.76812 -8.76020  1.000 20.10030 ? 42  THR A HG21 1 
ATOM   440  H  HG22 . THR A 1 42  ? 6.44563  18.14830 -8.11899  1.000 20.10030 ? 42  THR A HG22 1 
ATOM   441  H  HG23 . THR A 1 42  ? 5.25604  18.61682 -7.19278  1.000 20.10030 ? 42  THR A HG23 1 
ATOM   442  N  N    . TYR A 1 43  ? 8.92481  21.90108 -7.76810  1.000 13.24315 ? 43  TYR A N    1 
ATOM   443  C  CA   . TYR A 1 43  ? 9.58469  23.17837 -7.90939  1.000 13.15179 ? 43  TYR A CA   1 
ATOM   444  C  C    . TYR A 1 43  ? 9.51128  23.53921 -9.39292  1.000 12.89524 ? 43  TYR A C    1 
ATOM   445  O  O    . TYR A 1 43  ? 9.76095  22.69458 -10.27386 1.000 13.77012 ? 43  TYR A O    1 
ATOM   446  C  CB   . TYR A 1 43  ? 11.05773 23.10427 -7.46448  1.000 13.45815 ? 43  TYR A CB   1 
ATOM   447  C  CG   . TYR A 1 43  ? 11.66738 24.46601 -7.14041  1.000 12.36787 ? 43  TYR A CG   1 
ATOM   448  C  CD1  . TYR A 1 43  ? 12.20756 25.26792 -8.13676  1.000 12.27612 ? 43  TYR A CD1  1 
ATOM   449  C  CD2  . TYR A 1 43  ? 11.68070 24.94920 -5.84426  1.000 12.26105 ? 43  TYR A CD2  1 
ATOM   450  C  CE1  . TYR A 1 43  ? 12.71866 26.50435 -7.85553  1.000 12.33654 ? 43  TYR A CE1  1 
ATOM   451  C  CE2  . TYR A 1 43  ? 12.22499 26.16614 -5.53698  1.000 11.91254 ? 43  TYR A CE2  1 
ATOM   452  C  CZ   . TYR A 1 43  ? 12.74716 26.96311 -6.53748  1.000 11.91712 ? 43  TYR A CZ   1 
ATOM   453  O  OH   . TYR A 1 43  ? 13.24906 28.15696 -6.17204  1.000 12.50419 ? 43  TYR A OH   1 
ATOM   454  H  H    . TYR A 1 43  ? 9.17820  21.31791 -8.34716  1.000 15.89173 ? 43  TYR A H    1 
ATOM   455  H  HA   . TYR A 1 43  ? 9.15490  23.86055 -7.37013  1.000 15.78210 ? 43  TYR A HA   1 
ATOM   456  H  HB2  . TYR A 1 43  ? 11.11599 22.55558 -6.66671  1.000 16.14973 ? 43  TYR A HB2  1 
ATOM   457  H  HB3  . TYR A 1 43  ? 11.58036 22.70755 -8.17888  1.000 16.14973 ? 43  TYR A HB3  1 
ATOM   458  H  HD1  . TYR A 1 43  ? 12.22202 24.95766 -9.01336  1.000 14.73129 ? 43  TYR A HD1  1 
ATOM   459  H  HD2  . TYR A 1 43  ? 11.31027 24.43374 -5.16456  1.000 14.71320 ? 43  TYR A HD2  1 
ATOM   460  H  HE1  . TYR A 1 43  ? 13.04704 27.03930 -8.54174  1.000 14.80379 ? 43  TYR A HE1  1 
ATOM   461  H  HE2  . TYR A 1 43  ? 12.24353 26.45718 -4.65389  1.000 14.29500 ? 43  TYR A HE2  1 
ATOM   462  H  HH   . TYR A 1 43  ? 13.64519 28.51307 -6.82155  1.000 15.00498 ? 43  TYR A HH   1 
ATOM   463  N  N    . GLU A 1 44  ? 9.24051  24.80726 -9.65569  1.000 13.37758 ? 44  GLU A N    1 
ATOM   464  C  CA   . GLU A 1 44  ? 9.22927  25.35112 -11.00975 1.000 14.18892 ? 44  GLU A CA   1 
ATOM   465  C  C    . GLU A 1 44  ? 10.11986 26.58504 -10.97026 1.000 13.22010 ? 44  GLU A C    1 
ATOM   466  O  O    . GLU A 1 44  ? 9.82494  27.54522 -10.24869 1.000 14.08078 ? 44  GLU A O    1 
ATOM   467  C  CB   . GLU A 1 44  ? 7.80738  25.71591 -11.42911 1.000 16.14351 ? 44  GLU A CB   1 
ATOM   468  C  CG   . GLU A 1 44  ? 7.71878  26.27526 -12.78784 1.000 19.92056 ? 44  GLU A CG   1 
ATOM   469  C  CD   . GLU A 1 44  ? 6.31104  26.44704 -13.32246 1.000 26.41373 ? 44  GLU A CD   1 
ATOM   470  O  OE1  . GLU A 1 44  ? 5.30255  26.11910 -12.62455 1.000 28.80526 ? 44  GLU A OE1  1 
ATOM   471  O  OE2  . GLU A 1 44  ? 6.21040  26.93117 -14.49462 1.000 30.77019 ? 44  GLU A OE2  1 
ATOM   472  H  H    . GLU A 1 44  ? 9.05467  25.39075 -9.05186  1.000 16.05304 ? 44  GLU A H    1 
ATOM   473  H  HA   . GLU A 1 44  ? 9.57349  24.71622 -11.65729 1.000 17.02665 ? 44  GLU A HA   1 
ATOM   474  H  HB2  . GLU A 1 44  ? 7.25857  24.91658 -11.40084 1.000 19.37216 ? 44  GLU A HB2  1 
ATOM   475  H  HB3  . GLU A 1 44  ? 7.46004  26.37881 -10.81202 1.000 19.37216 ? 44  GLU A HB3  1 
ATOM   476  H  HG2  . GLU A 1 44  ? 8.13743  27.15026 -12.78748 1.000 23.90462 ? 44  GLU A HG2  1 
ATOM   477  H  HG3  . GLU A 1 44  ? 8.18908  25.68273 -13.39499 1.000 23.90462 ? 44  GLU A HG3  1 
ATOM   478  N  N    . SER A 1 45  ? 11.22259 26.56508 -11.71175 1.000 13.66009 ? 45  SER A N    1 
ATOM   479  C  CA   . SER A 1 45  ? 12.14849 27.68022 -11.72559 1.000 12.73274 ? 45  SER A CA   1 
ATOM   480  C  C    . SER A 1 45  ? 11.80039 28.64395 -12.84035 1.000 14.87767 ? 45  SER A C    1 
ATOM   481  O  O    . SER A 1 45  ? 11.60466 28.23691 -13.99102 1.000 16.31521 ? 45  SER A O    1 
ATOM   482  C  CB   . SER A 1 45  ? 13.57629 27.21084 -11.94593 1.000 13.22834 ? 45  SER A CB   1 
ATOM   483  O  OG   . SER A 1 45  ? 14.42749 28.33221 -11.98056 1.000 12.98043 ? 45  SER A OG   1 
ATOM   484  H  H    . SER A 1 45  ? 11.45436 25.90956 -12.21789 1.000 16.39206 ? 45  SER A H    1 
ATOM   485  H  HA   . SER A 1 45  ? 12.08086 28.12928 -10.86847 1.000 15.27923 ? 45  SER A HA   1 
ATOM   486  H  HB2  . SER A 1 45  ? 13.84047 26.62708 -11.21769 1.000 15.87395 ? 45  SER A HB2  1 
ATOM   487  H  HB3  . SER A 1 45  ? 13.63357 26.73558 -12.78958 1.000 15.87395 ? 45  SER A HB3  1 
ATOM   488  H  HG   . SER A 1 45  ? 14.89343 28.31775 -12.67934 1.000 15.57646 ? 45  SER A HG   1 
ATOM   489  N  N    . ALA A 1 46  ? 11.76091 29.91518 -12.51463 1.000 14.31542 ? 46  ALA A N    1 
ATOM   490  C  CA   . ALA A 1 46  ? 11.54088 30.94600 -13.51710 1.000 15.76902 ? 46  ALA A CA   1 
ATOM   491  C  C    . ALA A 1 46  ? 12.77147 31.24142 -14.35131 1.000 15.81027 ? 46  ALA A C    1 
ATOM   492  O  O    . ALA A 1 46  ? 12.66316 31.98815 -15.33369 1.000 18.40166 ? 46  ALA A O    1 
ATOM   493  C  CB   . ALA A 1 46  ? 11.09102 32.23105 -12.87539 1.000 18.19443 ? 46  ALA A CB   1 
ATOM   494  H  H    . ALA A 1 46  ? 11.85884 30.21594 -11.71491 1.000 17.17844 ? 46  ALA A H    1 
ATOM   495  H  HA   . ALA A 1 46  ? 10.83426 30.63236 -14.10295 1.000 18.92277 ? 46  ALA A HA   1 
ATOM   496  H  HB1  . ALA A 1 46  ? 10.97803 32.90511 -13.56371 1.000 21.83326 ? 46  ALA A HB1  1 
ATOM   497  H  HB2  . ALA A 1 46  ? 10.24813 32.07857 -12.42021 1.000 21.83326 ? 46  ALA A HB2  1 
ATOM   498  H  HB3  . ALA A 1 46  ? 11.76374 32.51833 -12.23835 1.000 21.83326 ? 46  ALA A HB3  1 
ATOM   499  N  N    . VAL A 1 47  ? 13.93657 30.72617 -13.95985 1.000 14.15150 ? 47  VAL A N    1 
ATOM   500  C  CA   . VAL A 1 47  ? 15.19841 31.00327 -14.63770 1.000 14.06943 ? 47  VAL A CA   1 
ATOM   501  C  C    . VAL A 1 47  ? 15.99058 29.72103 -14.87198 1.000 13.66695 ? 47  VAL A C    1 
ATOM   502  O  O    . VAL A 1 47  ? 15.73907 28.67418 -14.27546 1.000 14.19739 ? 47  VAL A O    1 
ATOM   503  C  CB   . VAL A 1 47  ? 16.06383 31.99971 -13.82478 1.000 14.48797 ? 47  VAL A CB   1 
ATOM   504  C  CG1  . VAL A 1 47  ? 15.35425 33.31704 -13.60725 1.000 15.29935 ? 47  VAL A CG1  1 
ATOM   505  C  CG2  . VAL A 1 47  ? 16.53052 31.37048 -12.47615 1.000 14.35058 ? 47  VAL A CG2  1 
ATOM   506  H  H    . VAL A 1 47  ? 14.02197 30.19914 -13.28564 1.000 16.98175 ? 47  VAL A H    1 
ATOM   507  H  HA   . VAL A 1 47  ? 14.99213 31.36941 -15.51194 1.000 16.88326 ? 47  VAL A HA   1 
ATOM   508  H  HB   . VAL A 1 47  ? 16.85827 32.19438 -14.34618 1.000 17.38551 ? 47  VAL A HB   1 
ATOM   509  H  HG11 . VAL A 1 47  ? 15.96799 33.94105 -13.18911 1.000 18.35917 ? 47  VAL A HG11 1 
ATOM   510  H  HG12 . VAL A 1 47  ? 15.06282 33.66415 -14.46485 1.000 18.35917 ? 47  VAL A HG12 1 
ATOM   511  H  HG13 . VAL A 1 47  ? 14.58733 33.17134 -13.03148 1.000 18.35917 ? 47  VAL A HG13 1 
ATOM   512  H  HG21 . VAL A 1 47  ? 17.10080 32.00374 -12.01282 1.000 17.22064 ? 47  VAL A HG21 1 
ATOM   513  H  HG22 . VAL A 1 47  ? 15.75103 31.16974 -11.93485 1.000 17.22064 ? 47  VAL A HG22 1 
ATOM   514  H  HG23 . VAL A 1 47  ? 17.02321 30.55576 -12.66155 1.000 17.22064 ? 47  VAL A HG23 1 
ATOM   515  N  N    . GLY A 1 48  ? 16.97567 29.82803 -15.74400 1.000 13.70844 ? 48  GLY A N    1 
ATOM   516  C  CA   . GLY A 1 48  ? 17.87953 28.75046 -16.00297 1.000 14.84913 ? 48  GLY A CA   1 
ATOM   517  C  C    . GLY A 1 48  ? 17.31174 27.71569 -16.95032 1.000 14.39459 ? 48  GLY A C    1 
ATOM   518  O  O    . GLY A 1 48  ? 16.32919 27.92950 -17.66853 1.000 15.92121 ? 48  GLY A O    1 
ATOM   519  H  H    . GLY A 1 48  ? 17.13834 30.53531 -16.20540 1.000 16.45007 ? 48  GLY A H    1 
ATOM   520  H  HA2  . GLY A 1 48  ? 18.69362 29.10460 -16.39380 1.000 17.81890 ? 48  GLY A HA2  1 
ATOM   521  H  HA3  . GLY A 1 48  ? 18.09664 28.30900 -15.16698 1.000 17.81890 ? 48  GLY A HA3  1 
ATOM   522  N  N    . ASN A 1 49  ? 18.01480 26.60024 -17.01971 1.000 14.05757 ? 49  ASN A N    1 
ATOM   523  C  CA   . ASN A 1 49  ? 17.69223 25.53755 -17.97591 1.000 14.15065 ? 49  ASN A CA   1 
ATOM   524  C  C    . ASN A 1 49  ? 16.64452 24.61916 -17.34378 1.000 14.37905 ? 49  ASN A C    1 
ATOM   525  O  O    . ASN A 1 49  ? 16.95691 23.54378 -16.79854 1.000 14.95284 ? 49  ASN A O    1 
ATOM   526  C  CB   . ASN A 1 49  ? 18.96054 24.77988 -18.31235 1.000 16.50300 ? 49  ASN A CB   1 
ATOM   527  C  CG   . ASN A 1 49  ? 18.73147 23.75293 -19.38387 1.000 17.80497 ? 49  ASN A CG   1 
ATOM   528  O  OD1  . ASN A 1 49  ? 17.68323 23.70344 -19.95491 1.000 20.83628 ? 49  ASN A OD1  1 
ATOM   529  N  ND2  . ASN A 1 49  ? 19.67017 22.87914 -19.59022 1.000 22.03100 ? 49  ASN A ND2  1 
ATOM   530  H  H    . ASN A 1 49  ? 18.69321 26.42550 -16.52088 1.000 16.86903 ? 49  ASN A H    1 
ATOM   531  H  HA   . ASN A 1 49  ? 17.31347 25.91762 -18.78398 1.000 16.98072 ? 49  ASN A HA   1 
ATOM   532  H  HB2  . ASN A 1 49  ? 19.63144 25.40475 -18.62910 1.000 19.80355 ? 49  ASN A HB2  1 
ATOM   533  H  HB3  . ASN A 1 49  ? 19.28046 24.32393 -17.51821 1.000 19.80355 ? 49  ASN A HB3  1 
ATOM   534  H  HD21 . ASN A 1 49  ? 19.57149 22.27704 -20.19630 1.000 26.43714 ? 49  ASN A HD21 1 
ATOM   535  H  HD22 . ASN A 1 49  ? 20.39035 22.90273 -19.12077 1.000 26.43714 ? 49  ASN A HD22 1 
ATOM   536  N  N    . ALA A 1 50  ? 15.38886 25.10094 -17.35955 1.000 15.41653 ? 50  ALA A N    1 
ATOM   537  C  CA   . ALA A 1 50  ? 14.31250 24.49703 -16.59502 1.000 15.55744 ? 50  ALA A CA   1 
ATOM   538  C  C    . ALA A 1 50  ? 13.02007 24.84051 -17.27101 1.000 15.38390 ? 50  ALA A C    1 
ATOM   539  O  O    . ALA A 1 50  ? 12.82312 25.96843 -17.71762 1.000 17.48246 ? 50  ALA A O    1 
ATOM   540  C  CB   . ALA A 1 50  ? 14.29571 25.03725 -15.15044 1.000 16.12258 ? 50  ALA A CB   1 
ATOM   541  H  H    . ALA A 1 50  ? 15.14325 25.78736 -17.81573 1.000 18.49979 ? 50  ALA A H    1 
ATOM   542  H  HA   . ALA A 1 50  ? 14.41613 23.53297 -16.56742 1.000 18.66888 ? 50  ALA A HA   1 
ATOM   543  H  HB1  . ALA A 1 50  ? 13.41203 24.90343 -14.77349 1.000 19.34705 ? 50  ALA A HB1  1 
ATOM   544  H  HB2  . ALA A 1 50  ? 14.95528 24.55686 -14.62595 1.000 19.34705 ? 50  ALA A HB2  1 
ATOM   545  H  HB3  . ALA A 1 50  ? 14.50952 25.98329 -15.16456 1.000 19.34705 ? 50  ALA A HB3  1 
ATOM   546  N  N    . GLU A 1 51  ? 12.13245 23.86200 -17.31148 1.000 15.49383 ? 51  GLU A N    1 
ATOM   547  C  CA   . GLU A 1 51  ? 10.76237 24.12331 -17.74665 1.000 16.70870 ? 51  GLU A CA   1 
ATOM   548  C  C    . GLU A 1 51  ? 9.82052  23.22291 -16.95679 1.000 15.68296 ? 51  GLU A C    1 
ATOM   549  O  O    . GLU A 1 51  ? 10.14786 22.07168 -16.69536 1.000 16.70919 ? 51  GLU A O    1 
ATOM   550  C  CB   . GLU A 1 51  ? 10.54397 24.00120 -19.22734 1.000 22.84808 ? 51  GLU A CB   1 
ATOM   551  C  CG   . GLU A 1 51  ? 10.34126 22.67928 -19.73526 1.000 27.02989 ? 51  GLU A CG   1 
ATOM   552  C  CD   . GLU A 1 51  ? 10.16578 22.62792 -21.27722 1.000 26.38627 ? 51  GLU A CD   1 
ATOM   553  O  OE1  . GLU A 1 51  ? 11.16265 22.64548 -21.96651 1.000 28.00130 ? 51  GLU A OE1  1 
ATOM   554  O  OE2  . GLU A 1 51  ? 9.03831  22.52349 -21.78079 1.000 29.16316 ? 51  GLU A OE2  1 
ATOM   555  H  H    . GLU A 1 51  ? 12.29254 23.04518 -17.09521 1.000 18.59254 ? 51  GLU A H    1 
ATOM   556  H  HA   . GLU A 1 51  ? 10.54875 25.04709 -17.54199 1.000 20.05039 ? 51  GLU A HA   1 
ATOM   557  H  HB2  . GLU A 1 51  ? 9.75717  24.51887 -19.45944 1.000 27.41764 ? 51  GLU A HB2  1 
ATOM   558  H  HB3  . GLU A 1 51  ? 11.32350 24.36249 -19.67757 1.000 27.41764 ? 51  GLU A HB3  1 
ATOM   559  H  HG2  . GLU A 1 51  ? 11.11023 22.13434 -19.50588 1.000 32.43581 ? 51  GLU A HG2  1 
ATOM   560  H  HG3  . GLU A 1 51  ? 9.54016  22.30869 -19.33301 1.000 32.43581 ? 51  GLU A HG3  1 
ATOM   561  N  N    . SER A 1 52  ? 8.66516  23.76292 -16.60504 1.000 15.59290 ? 52  SER A N    1 
ATOM   562  C  CA   A SER A 1 52  ? 7.63240  23.04308 -15.86860 0.611 16.95592 ? 52  SER A CA   1 
ATOM   563  C  CA   B SER A 1 52  ? 7.62516  23.03751 -15.87428 0.389 17.09408 ? 52  SER A CA   1 
ATOM   564  C  C    . SER A 1 52  ? 8.12715  22.57411 -14.50217 1.000 15.12907 ? 52  SER A C    1 
ATOM   565  O  O    . SER A 1 52  ? 9.04938  23.15012 -13.93722 1.000 17.21233 ? 52  SER A O    1 
ATOM   566  C  CB   A SER A 1 52  ? 7.06928  21.88948 -16.69245 0.611 21.17900 ? 52  SER A CB   1 
ATOM   567  C  CB   B SER A 1 52  ? 7.03044  21.90580 -16.73354 0.389 21.88634 ? 52  SER A CB   1 
ATOM   568  O  OG   A SER A 1 52  ? 5.80840  21.55034 -16.10963 0.611 23.91771 ? 52  SER A OG   1 
ATOM   569  O  OG   B SER A 1 52  ? 6.49942  22.36672 -17.97881 0.389 24.22979 ? 52  SER A OG   1 
ATOM   570  H  H    A SER A 1 52  ? 8.44377  24.57399 -16.78597 0.611 18.71143 ? 52  SER A H    1 
ATOM   571  H  H    B SER A 1 52  ? 8.44596  24.57566 -16.78112 0.389 18.71143 ? 52  SER A H    1 
ATOM   572  H  HA   A SER A 1 52  ? 6.89882  23.65505 -15.70051 0.611 20.34705 ? 52  SER A HA   1 
ATOM   573  H  HA   B SER A 1 52  ? 6.88350  23.63446 -15.68857 0.389 20.51285 ? 52  SER A HA   1 
ATOM   574  H  HB2  A SER A 1 52  ? 6.94605  22.16752 -17.61354 0.611 25.41474 ? 52  SER A HB2  1 
ATOM   575  H  HB2  B SER A 1 52  ? 7.73093  21.26089 -16.91875 0.389 26.26356 ? 52  SER A HB2  1 
ATOM   576  H  HB3  A SER A 1 52  ? 7.66947  21.12848 -16.65309 0.611 25.41474 ? 52  SER A HB3  1 
ATOM   577  H  HB3  B SER A 1 52  ? 6.31506  21.48386 -16.23245 0.389 26.26356 ? 52  SER A HB3  1 
ATOM   578  H  HG   A SER A 1 52  ? 5.55088  20.80393 -16.39626 0.611 28.70119 ? 52  SER A HG   1 
ATOM   579  H  HG   B SER A 1 52  ? 7.10635  22.38964 -18.55908 0.389 29.07570 ? 52  SER A HG   1 
ATOM   580  N  N    . ARG A 1 53  ? 7.47924  21.59624 -13.91493 1.000 15.72008 ? 53  ARG A N    1 
ATOM   581  C  CA   . ARG A 1 53  ? 7.74291  21.19141 -12.54962 1.000 13.86177 ? 53  ARG A CA   1 
ATOM   582  C  C    . ARG A 1 53  ? 8.75801  20.07634 -12.46728 1.000 13.46231 ? 53  ARG A C    1 
ATOM   583  O  O    . ARG A 1 53  ? 8.83908  19.19971 -13.32600 1.000 14.82357 ? 53  ARG A O    1 
ATOM   584  C  CB   . ARG A 1 53  ? 6.43313  20.73692 -11.91264 1.000 16.54564 ? 53  ARG A CB   1 
ATOM   585  C  CG   . ARG A 1 53  ? 5.50412  21.88283 -11.58434 1.000 18.46450 ? 53  ARG A CG   1 
ATOM   586  C  CD   . ARG A 1 53  ? 4.21408  21.40376 -11.10164 1.000 24.57578 ? 53  ARG A CD   1 
ATOM   587  N  NE   A ARG A 1 53  ? 3.28735  22.45459 -10.69711 0.382 27.67500 ? 53  ARG A NE   1 
ATOM   588  N  NE   B ARG A 1 53  ? 3.39482  21.14002 -12.25437 0.618 26.18032 ? 53  ARG A NE   1 
ATOM   589  C  CZ   A ARG A 1 53  ? 2.00895  22.24385 -10.40092 0.382 28.05197 ? 53  ARG A CZ   1 
ATOM   590  C  CZ   B ARG A 1 53  ? 2.98989  22.09341 -13.08912 0.618 34.00681 ? 53  ARG A CZ   1 
ATOM   591  N  NH1  A ARG A 1 53  ? 1.43732  21.07061 -10.62087 0.382 27.00158 ? 53  ARG A NH1  1 
ATOM   592  N  NH1  B ARG A 1 53  ? 3.12160  23.38223 -12.79211 0.618 37.10053 ? 53  ARG A NH1  1 
ATOM   593  N  NH2  A ARG A 1 53  ? 1.29738  23.22039 -9.83941  0.382 29.03465 ? 53  ARG A NH2  1 
ATOM   594  N  NH2  B ARG A 1 53  ? 2.43843  21.75215 -14.24090 0.618 37.09748 ? 53  ARG A NH2  1 
ATOM   595  H  H    . ARG A 1 53  ? 6.86148  21.13435 -14.29524 1.000 18.86404 ? 53  ARG A H    1 
ATOM   596  H  HA   . ARG A 1 53  ? 8.11558  21.94065 -12.05906 1.000 16.63407 ? 53  ARG A HA   1 
ATOM   597  H  HB2  . ARG A 1 53  ? 5.97258  20.14583 -12.52860 1.000 19.85471 ? 53  ARG A HB2  1 
ATOM   598  H  HB3  . ARG A 1 53  ? 6.63136  20.26705 -11.08752 1.000 19.85471 ? 53  ARG A HB3  1 
ATOM   599  H  HG2  . ARG A 1 53  ? 5.90377  22.43219 -10.89197 1.000 22.15735 ? 53  ARG A HG2  1 
ATOM   600  H  HG3  . ARG A 1 53  ? 5.35319  22.41288 -12.38257 1.000 22.15735 ? 53  ARG A HG3  1 
ATOM   601  H  HD2  A ARG A 1 53  ? 3.78822  20.89624 -11.81013 0.382 29.49089 ? 53  ARG A HD2  1 
ATOM   602  H  HD2  B ARG A 1 53  ? 4.32765  20.58559 -10.59311 0.618 29.49089 ? 53  ARG A HD2  1 
ATOM   603  H  HD3  A ARG A 1 53  ? 4.36463  20.83496 -10.33047 0.382 29.49089 ? 53  ARG A HD3  1 
ATOM   604  H  HD3  B ARG A 1 53  ? 3.78826  22.07983 -10.55163 0.618 29.49089 ? 53  ARG A HD3  1 
ATOM   605  H  HE   A ARG A 1 53  ? 3.58617  23.25945 -10.64717 0.382 33.20994 ? 53  ARG A HE   1 
ATOM   606  H  HE   B ARG A 1 53  ? 3.15588  20.32887 -12.41101 0.618 31.41633 ? 53  ARG A HE   1 
ATOM   607  H  HH11 A ARG A 1 53  ? 0.60882  20.95211 -10.42302 0.382 32.40185 ? 53  ARG A HH11 1 
ATOM   608  H  HH11 B ARG A 1 53  ? 2.85247  23.98117 -13.34748 0.618 44.52058 ? 53  ARG A HH11 1 
ATOM   609  H  HH12 A ARG A 1 53  ? 1.89438  20.42674 -10.96164 0.382 32.40185 ? 53  ARG A HH12 1 
ATOM   610  H  HH12 B ARG A 1 53  ? 3.47596  23.61720 -12.04457 0.618 44.52058 ? 53  ARG A HH12 1 
ATOM   611  H  HH21 A ARG A 1 53  ? 0.46961  23.09196 -9.64472  0.382 34.84153 ? 53  ARG A HH21 1 
ATOM   612  H  HH21 B ARG A 1 53  ? 2.34482  20.92161 -14.44347 0.618 44.51693 ? 53  ARG A HH21 1 
ATOM   613  H  HH22 A ARG A 1 53  ? 1.66586  23.97913 -9.67168  0.382 34.84153 ? 53  ARG A HH22 1 
ATOM   614  H  HH22 B ARG A 1 53  ? 2.17326  22.36066 -14.78771 0.618 44.51693 ? 53  ARG A HH22 1 
ATOM   615  N  N    . TYR A 1 54  ? 9.50907  20.10575 -11.35048 1.000 13.13270 ? 54  TYR A N    1 
ATOM   616  C  CA   . TYR A 1 54  ? 10.47852 19.08257 -10.99608 1.000 13.47940 ? 54  TYR A CA   1 
ATOM   617  C  C    . TYR A 1 54  ? 10.14433 18.55352 -9.60730  1.000 13.23569 ? 54  TYR A C    1 
ATOM   618  O  O    . TYR A 1 54  ? 9.72050  19.30230 -8.73367  1.000 13.73486 ? 54  TYR A O    1 
ATOM   619  C  CB   . TYR A 1 54  ? 11.92242 19.70184 -10.98881 1.000 13.06703 ? 54  TYR A CB   1 
ATOM   620  C  CG   . TYR A 1 54  ? 12.35420 20.17682 -12.33829 1.000 12.53994 ? 54  TYR A CG   1 
ATOM   621  C  CD1  . TYR A 1 54  ? 11.91360 21.38809 -12.84203 1.000 12.94764 ? 54  TYR A CD1  1 
ATOM   622  C  CD2  . TYR A 1 54  ? 13.17431 19.38363 -13.15052 1.000 13.26318 ? 54  TYR A CD2  1 
ATOM   623  C  CE1  . TYR A 1 54  ? 12.27813 21.81896 -14.11808 1.000 12.80880 ? 54  TYR A CE1  1 
ATOM   624  C  CE2  . TYR A 1 54  ? 13.51575 19.82771 -14.43943 1.000 13.18555 ? 54  TYR A CE2  1 
ATOM   625  C  CZ   . TYR A 1 54  ? 13.04775 21.02881 -14.93416 1.000 12.95123 ? 54  TYR A CZ   1 
ATOM   626  O  OH   . TYR A 1 54  ? 13.38822 21.45146 -16.18743 1.000 13.88810 ? 54  TYR A OH   1 
ATOM   627  H  H    . TYR A 1 54  ? 9.46445  20.73709 -10.76822 1.000 15.75919 ? 54  TYR A H    1 
ATOM   628  H  HA   . TYR A 1 54  ? 10.45392 18.34383 -11.62422 1.000 16.17522 ? 54  TYR A HA   1 
ATOM   629  H  HB2  . TYR A 1 54  ? 11.93765 20.46031 -10.38434 1.000 15.68038 ? 54  TYR A HB2  1 
ATOM   630  H  HB3  . TYR A 1 54  ? 12.55354 19.02791 -10.69146 1.000 15.68038 ? 54  TYR A HB3  1 
ATOM   631  H  HD1  . TYR A 1 54  ? 11.36340 21.92579 -12.31948 1.000 15.53712 ? 54  TYR A HD1  1 
ATOM   632  H  HD2  . TYR A 1 54  ? 13.49142 18.56696 -12.83843 1.000 15.91577 ? 54  TYR A HD2  1 
ATOM   633  H  HE1  . TYR A 1 54  ? 11.99587 22.65232 -14.41930 1.000 15.37051 ? 54  TYR A HE1  1 
ATOM   634  H  HE2  . TYR A 1 54  ? 14.06873 19.30132 -14.97048 1.000 15.82261 ? 54  TYR A HE2  1 
ATOM   635  H  HH   . TYR A 1 54  ? 13.74764 20.82377 -16.61454 1.000 16.66566 ? 54  TYR A HH   1 
ATOM   636  N  N    . VAL A 1 55  ? 10.42514 17.27989 -9.39053  1.000 13.20119 ? 55  VAL A N    1 
ATOM   637  C  CA   . VAL A 1 55  ? 10.22070 16.66377 -8.08049  1.000 13.30277 ? 55  VAL A CA   1 
ATOM   638  C  C    . VAL A 1 55  ? 11.19910 17.26276 -7.08907  1.000 12.40143 ? 55  VAL A C    1 
ATOM   639  O  O    . VAL A 1 55  ? 12.36235 17.47227 -7.39843  1.000 13.46593 ? 55  VAL A O    1 
ATOM   640  C  CB   . VAL A 1 55  ? 10.41017 15.13823 -8.17573  1.000 14.66970 ? 55  VAL A CB   1 
ATOM   641  C  CG1  . VAL A 1 55  ? 10.38349 14.48641 -6.84271  1.000 14.70942 ? 55  VAL A CG1  1 
ATOM   642  C  CG2  . VAL A 1 55  ? 9.30203  14.55007 -9.09455  1.000 16.32471 ? 55  VAL A CG2  1 
ATOM   643  H  H    . VAL A 1 55  ? 10.73729 16.74259 -9.98507  1.000 15.84138 ? 55  VAL A H    1 
ATOM   644  H  HA   . VAL A 1 55  ? 9.31638  16.84454 -7.77977  1.000 15.96327 ? 55  VAL A HA   1 
ATOM   645  H  HB   . VAL A 1 55  ? 11.28430 14.95428 -8.55383  1.000 17.60359 ? 55  VAL A HB   1 
ATOM   646  H  HG11 . VAL A 1 55  ? 10.39048 13.52376 -6.96170  1.000 17.65126 ? 55  VAL A HG11 1 
ATOM   647  H  HG12 . VAL A 1 55  ? 11.16555 14.76327 -6.34009  1.000 17.65126 ? 55  VAL A HG12 1 
ATOM   648  H  HG13 . VAL A 1 55  ? 9.57741  14.75610 -6.37538  1.000 17.65126 ? 55  VAL A HG13 1 
ATOM   649  H  HG21 . VAL A 1 55  ? 9.46390  13.60156 -9.21708  1.000 19.58959 ? 55  VAL A HG21 1 
ATOM   650  H  HG22 . VAL A 1 55  ? 8.43830  14.68672 -8.67478  1.000 19.58959 ? 55  VAL A HG22 1 
ATOM   651  H  HG23 . VAL A 1 55  ? 9.32876  15.00361 -9.95157  1.000 19.58959 ? 55  VAL A HG23 1 
ATOM   652  N  N    . LEU A 1 56  ? 10.73820 17.49781 -5.87328  1.000 12.82494 ? 56  LEU A N    1 
ATOM   653  C  CA   . LEU A 1 56  ? 11.62905 17.81981 -4.77324  1.000 13.63042 ? 56  LEU A CA   1 
ATOM   654  C  C    . LEU A 1 56  ? 11.31440 16.95013 -3.57091  1.000 13.54927 ? 56  LEU A C    1 
ATOM   655  O  O    . LEU A 1 56  ? 10.16361 16.49395 -3.35604  1.000 14.31656 ? 56  LEU A O    1 
ATOM   656  C  CB   . LEU A 1 56  ? 11.55280 19.26909 -4.33989  1.000 15.46629 ? 56  LEU A CB   1 
ATOM   657  C  CG   . LEU A 1 56  ? 10.29693 19.74225 -3.62945  1.000 14.91386 ? 56  LEU A CG   1 
ATOM   658  C  CD1  . LEU A 1 56  ? 10.37939 19.60321 -2.06995  1.000 14.57798 ? 56  LEU A CD1  1 
ATOM   659  C  CD2  . LEU A 1 56  ? 9.94546  21.16266 -4.02625  1.000 15.59837 ? 56  LEU A CD2  1 
ATOM   660  H  H    . LEU A 1 56  ? 9.90576  17.47658 -5.65834  1.000 15.38987 ? 56  LEU A H    1 
ATOM   661  H  HA   . LEU A 1 56  ? 12.53321 17.64174 -5.07605  1.000 16.35645 ? 56  LEU A HA   1 
ATOM   662  H  HB2  . LEU A 1 56  ? 12.29260 19.43363 -3.73448  1.000 18.55949 ? 56  LEU A HB2  1 
ATOM   663  H  HB3  . LEU A 1 56  ? 11.64567 19.81811 -5.13415  1.000 18.55949 ? 56  LEU A HB3  1 
ATOM   664  H  HG   . LEU A 1 56  ? 9.57754  19.15749 -3.91482  1.000 17.89658 ? 56  LEU A HG   1 
ATOM   665  H  HD11 . LEU A 1 56  ? 9.55914  19.94251 -1.67883  1.000 17.49352 ? 56  LEU A HD11 1 
ATOM   666  H  HD12 . LEU A 1 56  ? 10.49212 18.66717 -1.84187  1.000 17.49352 ? 56  LEU A HD12 1 
ATOM   667  H  HD13 . LEU A 1 56  ? 11.13674 20.11594 -1.74679  1.000 17.49352 ? 56  LEU A HD13 1 
ATOM   668  H  HD21 . LEU A 1 56  ? 9.09166  21.39885 -3.63110  1.000 18.71799 ? 56  LEU A HD21 1 
ATOM   669  H  HD22 . LEU A 1 56  ? 10.63668 21.76122 -3.70247  1.000 18.71799 ? 56  LEU A HD22 1 
ATOM   670  H  HD23 . LEU A 1 56  ? 9.88840  21.21551 -4.99312  1.000 18.71799 ? 56  LEU A HD23 1 
ATOM   671  N  N    . THR A 1 57  ? 12.35210 16.76010 -2.75510  1.000 12.94048 ? 57  THR A N    1 
ATOM   672  C  CA   . THR A 1 57  ? 12.22160 16.10534 -1.46319  1.000 13.00264 ? 57  THR A CA   1 
ATOM   673  C  C    . THR A 1 57  ? 13.17844 16.74832 -0.48391  1.000 12.09801 ? 57  THR A C    1 
ATOM   674  O  O    . THR A 1 57  ? 14.22653 17.26333 -0.88651  1.000 11.93646 ? 57  THR A O    1 
ATOM   675  C  CB   . THR A 1 57  ? 12.47210 14.62571 -1.54870  1.000 15.01948 ? 57  THR A CB   1 
ATOM   676  O  OG1  . THR A 1 57  ? 12.17219 14.03313 -0.33180  1.000 18.69638 ? 57  THR A OG1  1 
ATOM   677  C  CG2  . THR A 1 57  ? 13.82849 14.27219 -1.93267  1.000 14.61471 ? 57  THR A CG2  1 
ATOM   678  H  H    . THR A 1 57  ? 13.15566 17.00803 -2.93517  1.000 15.52852 ? 57  THR A H    1 
ATOM   679  H  HA   . THR A 1 57  ? 11.31920 16.22728 -1.12899  1.000 15.60311 ? 57  THR A HA   1 
ATOM   680  H  HB   . THR A 1 57  ? 11.89963 14.28166 -2.25212  1.000 18.02332 ? 57  THR A HB   1 
ATOM   681  H  HG1  . THR A 1 57  ? 12.10919 13.20074 -0.42537  1.000 22.43560 ? 57  THR A HG1  1 
ATOM   682  H  HG21 . THR A 1 57  ? 13.90036 13.31206 -2.05050  1.000 17.53759 ? 57  THR A HG21 1 
ATOM   683  H  HG22 . THR A 1 57  ? 14.06213 14.71001 -2.76611  1.000 17.53759 ? 57  THR A HG22 1 
ATOM   684  H  HG23 . THR A 1 57  ? 14.45185 14.55241 -1.24434  1.000 17.53759 ? 57  THR A HG23 1 
ATOM   685  N  N    . GLY A 1 58  ? 12.79543 16.75917 0.78832   1.000 12.38157 ? 58  GLY A N    1 
ATOM   686  C  CA   . GLY A 1 58  ? 13.67283 17.31304 1.79802   1.000 12.09327 ? 58  GLY A CA   1 
ATOM   687  C  C    . GLY A 1 58  ? 13.20533 16.94807 3.19265   1.000 11.61616 ? 58  GLY A C    1 
ATOM   688  O  O    . GLY A 1 58  ? 12.41413 16.02621 3.38076   1.000 12.45167 ? 58  GLY A O    1 
ATOM   689  H  H    . GLY A 1 58  ? 12.04618 16.45682 1.08295   1.000 14.85783 ? 58  GLY A H    1 
ATOM   690  H  HA2  . GLY A 1 58  ? 14.57138 16.96993 1.67238   1.000 14.51187 ? 58  GLY A HA2  1 
ATOM   691  H  HA3  . GLY A 1 58  ? 13.69009 18.27972 1.71972   1.000 14.51187 ? 58  GLY A HA3  1 
ATOM   692  N  N    . ARG A 1 59  ? 13.70281 17.69046 4.17117   1.000 11.74758 ? 59  ARG A N    1 
ATOM   693  C  CA   . ARG A 1 59  ? 13.45819 17.44476 5.59393   1.000 12.00584 ? 59  ARG A CA   1 
ATOM   694  C  C    . ARG A 1 59  ? 13.32914 18.77404 6.32195   1.000 12.25123 ? 59  ARG A C    1 
ATOM   695  O  O    . ARG A 1 59  ? 13.95554 19.76750 5.93680   1.000 12.96754 ? 59  ARG A O    1 
ATOM   696  C  CB   . ARG A 1 59  ? 14.59889 16.64694 6.23549   1.000 12.52530 ? 59  ARG A CB   1 
ATOM   697  C  CG   . ARG A 1 59  ? 14.90930 15.29941 5.62462   1.000 13.51249 ? 59  ARG A CG   1 
ATOM   698  C  CD   . ARG A 1 59  ? 13.83997 14.26177 5.86922   1.000 14.20005 ? 59  ARG A CD   1 
ATOM   699  N  NE   . ARG A 1 59  ? 13.76396 13.94578 7.29472   1.000 14.08001 ? 59  ARG A NE   1 
ATOM   700  C  CZ   . ARG A 1 59  ? 12.74996 13.31571 7.86853   1.000 14.83434 ? 59  ARG A CZ   1 
ATOM   701  N  NH1  . ARG A 1 59  ? 11.75100 12.85267 7.14909   1.000 16.17489 ? 59  ARG A NH1  1 
ATOM   702  N  NH2  . ARG A 1 59  ? 12.73984 13.16828 9.20668   1.000 16.00074 ? 59  ARG A NH2  1 
ATOM   703  H  H    . ARG A 1 59  ? 14.20779 18.37329 4.03574   1.000 14.09704 ? 59  ARG A H    1 
ATOM   704  H  HA   . ARG A 1 59  ? 12.63022 16.94842 5.68887   1.000 14.40695 ? 59  ARG A HA   1 
ATOM   705  H  HB2  . ARG A 1 59  ? 15.40805 17.17862 6.17648   1.000 15.03031 ? 59  ARG A HB2  1 
ATOM   706  H  HB3  . ARG A 1 59  ? 14.37119 16.49144 7.16547   1.000 15.03031 ? 59  ARG A HB3  1 
ATOM   707  H  HG2  . ARG A 1 59  ? 15.00451 15.40523 4.66512   1.000 16.21494 ? 59  ARG A HG2  1 
ATOM   708  H  HG3  . ARG A 1 59  ? 15.73694 14.96637 6.00540   1.000 16.21494 ? 59  ARG A HG3  1 
ATOM   709  H  HD2  . ARG A 1 59  ? 12.97989 14.60491 5.58041   1.000 17.04000 ? 59  ARG A HD2  1 
ATOM   710  H  HD3  . ARG A 1 59  ? 14.05427 13.45092 5.38189   1.000 17.04000 ? 59  ARG A HD3  1 
ATOM   711  H  HE   . ARG A 1 59  ? 14.42185 14.18509 7.79422   1.000 16.89596 ? 59  ARG A HE   1 
ATOM   712  H  HH11 . ARG A 1 59  ? 11.75103 12.95745 6.29550   1.000 19.40981 ? 59  ARG A HH11 1 
ATOM   713  H  HH12 . ARG A 1 59  ? 11.09779 12.44513 7.53227   1.000 19.40981 ? 59  ARG A HH12 1 
ATOM   714  H  HH21 . ARG A 1 59  ? 13.38688 13.48155 9.67870   1.000 19.20084 ? 59  ARG A HH21 1 
ATOM   715  H  HH22 . ARG A 1 59  ? 12.08634 12.76084 9.58946   1.000 19.20084 ? 59  ARG A HH22 1 
ATOM   716  N  N    . TYR A 1 60  ? 12.58183 18.77562 7.41454   1.000 12.61588 ? 60  TYR A N    1 
ATOM   717  C  CA   . TYR A 1 60  ? 12.49716 19.93204 8.28999   1.000 12.36148 ? 60  TYR A CA   1 
ATOM   718  C  C    . TYR A 1 60  ? 12.49381 19.44676 9.73297   1.000 13.10958 ? 60  TYR A C    1 
ATOM   719  O  O    . TYR A 1 60  ? 12.12657 18.31617 10.01351  1.000 14.22185 ? 60  TYR A O    1 
ATOM   720  C  CB   . TYR A 1 60  ? 11.27305 20.86153 7.98414   1.000 13.40448 ? 60  TYR A CB   1 
ATOM   721  C  CG   . TYR A 1 60  ? 9.94929  20.30853 8.44056   1.000 14.45432 ? 60  TYR A CG   1 
ATOM   722  C  CD1  . TYR A 1 60  ? 9.32882  19.23455 7.80545   1.000 15.64522 ? 60  TYR A CD1  1 
ATOM   723  C  CD2  . TYR A 1 60  ? 9.30150  20.86585 9.52670   1.000 14.35430 ? 60  TYR A CD2  1 
ATOM   724  C  CE1  . TYR A 1 60  ? 8.13070  18.68951 8.26899   1.000 15.56555 ? 60  TYR A CE1  1 
ATOM   725  C  CE2  . TYR A 1 60  ? 8.09234  20.35058 9.99408   1.000 17.41636 ? 60  TYR A CE2  1 
ATOM   726  C  CZ   . TYR A 1 60  ? 7.50964  19.26677 9.35329   1.000 17.05575 ? 60  TYR A CZ   1 
ATOM   727  O  OH   . TYR A 1 60  ? 6.31982  18.76520 9.85249   1.000 19.26661 ? 60  TYR A OH   1 
ATOM   728  H  H    . TYR A 1 60  ? 12.10659 18.10766 7.67450   1.000 15.13900 ? 60  TYR A H    1 
ATOM   729  H  HA   . TYR A 1 60  ? 13.28163 20.48733 8.15902   1.000 14.83373 ? 60  TYR A HA   1 
ATOM   730  H  HB2  . TYR A 1 60  ? 11.40812 21.71033 8.43380   1.000 16.08533 ? 60  TYR A HB2  1 
ATOM   731  H  HB3  . TYR A 1 60  ? 11.21975 20.99880 7.02538   1.000 16.08533 ? 60  TYR A HB3  1 
ATOM   732  H  HD1  . TYR A 1 60  ? 9.72606  18.86916 7.04810   1.000 18.77421 ? 60  TYR A HD1  1 
ATOM   733  H  HD2  . TYR A 1 60  ? 9.67958  21.59971 9.95494   1.000 17.22510 ? 60  TYR A HD2  1 
ATOM   734  H  HE1  . TYR A 1 60  ? 7.75732  17.94713 7.85142   1.000 18.67860 ? 60  TYR A HE1  1 
ATOM   735  H  HE2  . TYR A 1 60  ? 7.67773  20.73276 10.73363  1.000 20.89958 ? 60  TYR A HE2  1 
ATOM   736  H  HH   . TYR A 1 60  ? 6.02206  18.16929 9.34079   1.000 23.11988 ? 60  TYR A HH   1 
ATOM   737  N  N    . ASP A 1 61  ? 12.85979 20.34740 10.63875  1.000 13.14872 ? 61  ASP A N    1 
ATOM   738  C  CA   . ASP A 1 61  ? 12.77802 20.12005 12.07993  1.000 14.23143 ? 61  ASP A CA   1 
ATOM   739  C  C    . ASP A 1 61  ? 11.32394 20.16778 12.50936  1.000 14.50676 ? 61  ASP A C    1 
ATOM   740  O  O    . ASP A 1 61  ? 10.71467 21.24713 12.55386  1.000 15.02110 ? 61  ASP A O    1 
ATOM   741  C  CB   . ASP A 1 61  ? 13.57807 21.19155 12.81109  1.000 14.03710 ? 61  ASP A CB   1 
ATOM   742  C  CG   . ASP A 1 61  ? 13.57498 21.02316 14.32587  1.000 14.30541 ? 61  ASP A CG   1 
ATOM   743  O  OD1  . ASP A 1 61  ? 12.92907 20.08074 14.85540  1.000 15.32449 ? 61  ASP A OD1  1 
ATOM   744  O  OD2  . ASP A 1 61  ? 14.20761 21.89786 14.98124  1.000 14.84788 ? 61  ASP A OD2  1 
ATOM   745  H  H    . ASP A 1 61  ? 13.16935 21.12457 10.43928  1.000 15.77841 ? 61  ASP A H    1 
ATOM   746  H  HA   . ASP A 1 61  ? 13.14393 19.24766 12.29428  1.000 17.07767 ? 61  ASP A HA   1 
ATOM   747  H  HB2  . ASP A 1 61  ? 14.49946 21.15475 12.51010  1.000 16.84447 ? 61  ASP A HB2  1 
ATOM   748  H  HB3  . ASP A 1 61  ? 13.19719 22.06024 12.60810  1.000 16.84447 ? 61  ASP A HB3  1 
ATOM   749  N  N    . SER A 1 62  ? 10.75008 19.01823 12.84515  1.000 15.10471 ? 62  SER A N    1 
ATOM   750  C  CA   . SER A 1 62  ? 9.34655  18.94075 13.21674  1.000 16.69336 ? 62  SER A CA   1 
ATOM   751  C  C    . SER A 1 62  ? 9.09920  19.24355 14.68783  1.000 17.85689 ? 62  SER A C    1 
ATOM   752  O  O    . SER A 1 62  ? 7.95359  19.19255 15.12685  1.000 23.00000 ? 62  SER A O    1 
ATOM   753  C  CB   . SER A 1 62  ? 8.80421  17.57761 12.83155  1.000 18.70571 ? 62  SER A CB   1 
ATOM   754  O  OG   . SER A 1 62  ? 9.55716  16.57220 13.43259  1.000 22.45102 ? 62  SER A OG   1 
ATOM   755  H  H    . SER A 1 62  ? 11.15904 18.26195 12.86498  1.000 18.12560 ? 62  SER A H    1 
ATOM   756  H  HA   . SER A 1 62  ? 8.83992  19.60260 12.72056  1.000 20.03197 ? 62  SER A HA   1 
ATOM   757  H  HB2  . SER A 1 62  ? 7.88347  17.50607 13.12821  1.000 22.44680 ? 62  SER A HB2  1 
ATOM   758  H  HB3  . SER A 1 62  ? 8.85103  17.47726 11.86789  1.000 22.44680 ? 62  SER A HB3  1 
ATOM   759  H  HG   . SER A 1 62  ? 9.41950  15.83965 13.04526  1.000 26.94117 ? 62  SER A HG   1 
ATOM   760  N  N    . ALA A 1 63  ? 10.13301 19.59440 15.45478  1.000 17.49369 ? 63  ALA A N    1 
ATOM   761  C  CA   . ALA A 1 63  ? 9.95980  19.99920 16.85151  1.000 18.83970 ? 63  ALA A CA   1 
ATOM   762  C  C    . ALA A 1 63  ? 10.93300 21.11901 17.15096  1.000 18.66062 ? 63  ALA A C    1 
ATOM   763  O  O    . ALA A 1 63  ? 11.88991 20.94952 17.91170  1.000 19.94600 ? 63  ALA A O    1 
ATOM   764  C  CB   . ALA A 1 63  ? 10.12915 18.80533 17.79352  1.000 22.42591 ? 63  ALA A CB   1 
ATOM   765  H  H    . ALA A 1 63  ? 10.95001 19.60591 15.18651  1.000 20.99237 ? 63  ALA A H    1 
ATOM   766  H  HA   . ALA A 1 63  ? 9.06340  20.34493 16.98503  1.000 22.60759 ? 63  ALA A HA   1 
ATOM   767  H  HB1  . ALA A 1 63  ? 10.09441 19.11929 18.71065  1.000 26.91104 ? 63  ALA A HB1  1 
ATOM   768  H  HB2  . ALA A 1 63  ? 9.41186  18.17232 17.63319  1.000 26.91104 ? 63  ALA A HB2  1 
ATOM   769  H  HB3  . ALA A 1 63  ? 10.98604 18.38518 17.61996  1.000 26.91104 ? 63  ALA A HB3  1 
ATOM   770  N  N    . PRO A 1 64  ? 10.70283 22.28558 16.56558  1.000 19.58016 ? 64  PRO A N    1 
ATOM   771  C  CA   . PRO A 1 64  ? 11.65457 23.38742 16.68881  1.000 20.22583 ? 64  PRO A CA   1 
ATOM   772  C  C    . PRO A 1 64  ? 11.67338 23.96593 18.09108  1.000 21.56761 ? 64  PRO A C    1 
ATOM   773  O  O    . PRO A 1 64  ? 10.85034 23.68958 18.95663  1.000 23.25325 ? 64  PRO A O    1 
ATOM   774  C  CB   . PRO A 1 64  ? 11.14559 24.38991 15.65224  1.000 23.73787 ? 64  PRO A CB   1 
ATOM   775  C  CG   . PRO A 1 64  ? 9.69261  24.12366 15.60466  1.000 24.29301 ? 64  PRO A CG   1 
ATOM   776  C  CD   . PRO A 1 64  ? 9.57976  22.64700 15.68214  1.000 22.58866 ? 64  PRO A CD   1 
ATOM   777  H  HA   . PRO A 1 64  ? 12.55358 23.10464 16.45923  1.000 24.27094 ? 64  PRO A HA   1 
ATOM   778  H  HB2  . PRO A 1 64  ? 11.32902 25.29706 15.94264  1.000 28.48539 ? 64  PRO A HB2  1 
ATOM   779  H  HB3  . PRO A 1 64  ? 11.56294 24.22613 14.79207  1.000 28.48539 ? 64  PRO A HB3  1 
ATOM   780  H  HG2  . PRO A 1 64  ? 9.25262  24.54636 16.35874  1.000 29.15156 ? 64  PRO A HG2  1 
ATOM   781  H  HG3  . PRO A 1 64  ? 9.32072  24.45799 14.77350  1.000 29.15156 ? 64  PRO A HG3  1 
ATOM   782  H  HD2  . PRO A 1 64  ? 8.73160  22.38275 16.07164  1.000 27.10634 ? 64  PRO A HD2  1 
ATOM   783  H  HD3  . PRO A 1 64  ? 9.68246  22.24368 14.80596  1.000 27.10634 ? 64  PRO A HD3  1 
ATOM   784  N  N    . ALA A 1 65  ? 12.68281 24.76239 18.32293  1.000 21.92347 ? 65  ALA A N    1 
ATOM   785  C  CA   . ALA A 1 65  ? 12.75774 25.44323 19.60332  1.000 24.54765 ? 65  ALA A CA   1 
ATOM   786  C  C    . ALA A 1 65  ? 11.57793 26.40034 19.77478  1.000 25.09278 ? 65  ALA A C    1 
ATOM   787  O  O    . ALA A 1 65  ? 10.97365 26.85127 18.79732  1.000 27.22876 ? 65  ALA A O    1 
ATOM   788  C  CB   . ALA A 1 65  ? 14.09565 26.15578 19.68022  1.000 25.11818 ? 65  ALA A CB   1 
ATOM   789  H  H    . ALA A 1 65  ? 13.32529 24.92729 17.77556  1.000 26.30811 ? 65  ALA A H    1 
ATOM   790  H  HA   . ALA A 1 65  ? 12.70191 24.82115 20.34548  1.000 29.45712 ? 65  ALA A HA   1 
ATOM   791  H  HB1  . ALA A 1 65  ? 14.17202 26.59193 20.54326  1.000 30.14177 ? 65  ALA A HB1  1 
ATOM   792  H  HB2  . ALA A 1 65  ? 14.80678 25.50459 19.57460  1.000 30.14177 ? 65  ALA A HB2  1 
ATOM   793  H  HB3  . ALA A 1 65  ? 14.14328 26.81558 18.97079  1.000 30.14177 ? 65  ALA A HB3  1 
ATOM   794  N  N    . THR A 1 66  ? 11.25230 26.71547 21.03072  1.000 30.51293 ? 66  THR A N    1 
ATOM   795  C  CA   . THR A 1 66  ? 10.12778 27.58842 21.36098  1.000 33.77767 ? 66  THR A CA   1 
ATOM   796  C  C    . THR A 1 66  ? 10.59464 28.95754 21.82764  1.000 35.43340 ? 66  THR A C    1 
ATOM   797  O  O    . THR A 1 66  ? 9.85673  29.67763 22.48526  1.000 37.71490 ? 66  THR A O    1 
ATOM   798  C  CB   . THR A 1 66  ? 9.23852  26.92221 22.40832  1.000 38.09662 ? 66  THR A CB   1 
ATOM   799  O  OG1  . THR A 1 66  ? 10.02397 26.60729 23.56894  1.000 41.13495 ? 66  THR A OG1  1 
ATOM   800  C  CG2  . THR A 1 66  ? 8.61537  25.65547 21.82461  1.000 39.17851 ? 66  THR A CG2  1 
ATOM   801  H  H    . THR A 1 66  ? 11.67763 26.42909 21.72115  1.000 36.61546 ? 66  THR A H    1 
ATOM   802  H  HA   . THR A 1 66  ? 9.58664  27.72478 20.56759  1.000 40.53315 ? 66  THR A HA   1 
ATOM   803  H  HB   . THR A 1 66  ? 8.51979  27.51716 22.67358  1.000 45.71589 ? 66  THR A HB   1 
ATOM   804  H  HG1  . THR A 1 66  ? 10.32152 25.82393 23.51057  1.000 49.36189 ? 66  THR A HG1  1 
ATOM   805  H  HG21 . THR A 1 66  ? 7.91140  25.33258 22.40861  1.000 47.01415 ? 66  THR A HG21 1 
ATOM   806  H  HG22 . THR A 1 66  ? 8.23812  25.84353 20.95098  1.000 47.01415 ? 66  THR A HG22 1 
ATOM   807  H  HG23 . THR A 1 66  ? 9.29060  24.96501 21.73392  1.000 47.01415 ? 66  THR A HG23 1 
ATOM   808  N  N    . ASP A 1 67  ? 11.81178 29.33154 21.50358  1.000 32.70815 ? 67  ASP A N    1 
ATOM   809  C  CA   . ASP A 1 67  ? 12.42750 30.54193 21.99116  1.000 33.08326 ? 67  ASP A CA   1 
ATOM   810  C  C    . ASP A 1 67  ? 12.40634 31.65452 20.95617  1.000 33.33436 ? 67  ASP A C    1 
ATOM   811  O  O    . ASP A 1 67  ? 13.13156 32.64485 21.11752  1.000 37.11785 ? 67  ASP A O    1 
ATOM   812  C  CB   . ASP A 1 67  ? 13.85673 30.20439 22.42589  1.000 33.57116 ? 67  ASP A CB   1 
ATOM   813  C  CG   . ASP A 1 67  ? 14.72660 29.73744 21.26926  1.000 34.03051 ? 67  ASP A CG   1 
ATOM   814  O  OD1  . ASP A 1 67  ? 14.23708 29.63628 20.12214  1.000 30.33224 ? 67  ASP A OD1  1 
ATOM   815  O  OD2  . ASP A 1 67  ? 15.90833 29.40863 21.50768  1.000 38.32248 ? 67  ASP A OD2  1 
ATOM   816  H  H    . ASP A 1 67  ? 12.32345 28.88084 20.97949  1.000 39.24973 ? 67  ASP A H    1 
ATOM   817  H  HA   . ASP A 1 67  ? 11.94968 30.88234 22.76363  1.000 39.69986 ? 67  ASP A HA   1 
ATOM   818  H  HB2  . ASP A 1 67  ? 14.26615 30.99589 22.80904  1.000 40.28534 ? 67  ASP A HB2  1 
ATOM   819  H  HB3  . ASP A 1 67  ? 13.82732 29.49374 23.08545  1.000 40.28534 ? 67  ASP A HB3  1 
ATOM   820  N  N    . GLY A 1 68  ? 11.59688 31.52092 19.89613  1.000 29.77733 ? 68  GLY A N    1 
ATOM   821  C  CA   . GLY A 1 68  ? 11.53219 32.55094 18.88258  1.000 28.04372 ? 68  GLY A CA   1 
ATOM   822  C  C    . GLY A 1 68  ? 12.40359 32.26444 17.67725  1.000 25.44473 ? 68  GLY A C    1 
ATOM   823  O  O    . GLY A 1 68  ? 12.40092 33.03435 16.70233  1.000 27.91339 ? 68  GLY A O    1 
ATOM   824  H  H    . GLY A 1 68  ? 11.08499 30.84465 19.75394  1.000 35.73275 ? 68  GLY A H    1 
ATOM   825  H  HA2  . GLY A 1 68  ? 10.61523 32.63838 18.57854  1.000 33.65241 ? 68  GLY A HA2  1 
ATOM   826  H  HA3  . GLY A 1 68  ? 11.81847 33.39334 19.26898  1.000 33.65241 ? 68  GLY A HA3  1 
ATOM   827  N  N    . SER A 1 69  ? 13.14906 31.18180 17.72195  1.000 20.08809 ? 69  SER A N    1 
ATOM   828  C  CA   . SER A 1 69  ? 13.99845 30.80962 16.61352  1.000 17.74961 ? 69  SER A CA   1 
ATOM   829  C  C    . SER A 1 69  ? 13.16761 30.27735 15.44675  1.000 17.37473 ? 69  SER A C    1 
ATOM   830  O  O    . SER A 1 69  ? 12.06308 29.75834 15.62017  1.000 18.76378 ? 69  SER A O    1 
ATOM   831  C  CB   . SER A 1 69  ? 14.97020 29.69384 17.04868  1.000 21.17423 ? 69  SER A CB   1 
ATOM   832  O  OG   . SER A 1 69  ? 15.85709 30.17537 18.04759  1.000 26.27537 ? 69  SER A OG   1 
ATOM   833  H  H    . SER A 1 69  ? 13.18222 30.63970 18.38875  1.000 24.10565 ? 69  SER A H    1 
ATOM   834  H  HA   . SER A 1 69  ? 14.49562 31.59038 16.32345  1.000 21.29948 ? 69  SER A HA   1 
ATOM   835  H  HB2  . SER A 1 69  ? 14.46068 28.95045 17.40739  1.000 25.40902 ? 69  SER A HB2  1 
ATOM   836  H  HB3  . SER A 1 69  ? 15.48506 29.40284 16.27982  1.000 25.40902 ? 69  SER A HB3  1 
ATOM   837  H  HG   . SER A 1 69  ? 16.39049 29.56773 18.27531  1.000 31.53039 ? 69  SER A HG   1 
ATOM   838  N  N    . GLY A 1 70  ? 13.75507 30.35987 14.24813  1.000 15.46982 ? 70  GLY A N    1 
ATOM   839  C  CA   . GLY A 1 70  ? 13.19279 29.77092 13.06930  1.000 15.09514 ? 70  GLY A CA   1 
ATOM   840  C  C    . GLY A 1 70  ? 13.25706 28.26252 13.09727  1.000 14.23836 ? 70  GLY A C    1 
ATOM   841  O  O    . GLY A 1 70  ? 13.86457 27.64679 13.97683  1.000 15.08168 ? 70  GLY A O    1 
ATOM   842  H  H    . GLY A 1 70  ? 14.49949 30.76608 14.10521  1.000 18.56373 ? 70  GLY A H    1 
ATOM   843  H  HA2  . GLY A 1 70  ? 12.26326 30.03635 12.98916  1.000 18.11412 ? 70  GLY A HA2  1 
ATOM   844  H  HA3  . GLY A 1 70  ? 13.67882 30.08371 12.29031  1.000 18.11412 ? 70  GLY A HA3  1 
ATOM   845  N  N    . THR A 1 71  ? 12.66534 27.65791 12.05563  1.000 14.59669 ? 71  THR A N    1 
ATOM   846  C  CA   . THR A 1 71  ? 12.59849 26.21071 11.88996  1.000 13.96872 ? 71  THR A CA   1 
ATOM   847  C  C    . THR A 1 71  ? 13.53511 25.81374 10.74792  1.000 12.31402 ? 71  THR A C    1 
ATOM   848  O  O    . THR A 1 71  ? 13.28328 26.16639 9.59745   1.000 13.37160 ? 71  THR A O    1 
ATOM   849  C  CB   . THR A 1 71  ? 11.17054 25.79212 11.57286  1.000 14.72438 ? 71  THR A CB   1 
ATOM   850  O  OG1  . THR A 1 71  ? 10.38618 26.19615 12.69576  1.000 17.58419 ? 71  THR A OG1  1 
ATOM   851  C  CG2  . THR A 1 71  ? 11.01878 24.29287 11.35735  1.000 16.75394 ? 71  THR A CG2  1 
ATOM   852  H  H    . THR A 1 71  ? 12.28481 28.08610 11.41419  1.000 17.51597 ? 71  THR A H    1 
ATOM   853  H  HA   . THR A 1 71  ? 12.88908 25.76250 12.69963  1.000 16.76242 ? 71  THR A HA   1 
ATOM   854  H  HB   . THR A 1 71  ? 10.87657 26.20030 10.74348  1.000 17.66921 ? 71  THR A HB   1 
ATOM   855  H  HG1  . THR A 1 71  ? 9.57195  26.05841 12.54195  1.000 21.10097 ? 71  THR A HG1  1 
ATOM   856  H  HG21 . THR A 1 71  ? 10.07892 24.05345 11.34140  1.000 20.10467 ? 71  THR A HG21 1 
ATOM   857  H  HG22 . THR A 1 71  ? 11.42334 24.03631 10.51390  1.000 20.10467 ? 71  THR A HG22 1 
ATOM   858  H  HG23 . THR A 1 71  ? 11.45484 23.80860 12.07584  1.000 20.10467 ? 71  THR A HG23 1 
ATOM   859  N  N    . ALA A 1 72  ? 14.56962 25.04290 11.04361  1.000 12.22793 ? 72  ALA A N    1 
ATOM   860  C  CA   . ALA A 1 72  ? 15.51919 24.63715 10.02039  1.000 11.70175 ? 72  ALA A CA   1 
ATOM   861  C  C    . ALA A 1 72  ? 14.90262 23.63256 9.05703   1.000 11.83927 ? 72  ALA A C    1 
ATOM   862  O  O    . ALA A 1 72  ? 14.10605 22.75949 9.43074   1.000 12.82555 ? 72  ALA A O    1 
ATOM   863  C  CB   . ALA A 1 72  ? 16.72009 24.01635 10.70192  1.000 12.38599 ? 72  ALA A CB   1 
ATOM   864  H  H    . ALA A 1 72  ? 14.74514 24.74063 11.82937  1.000 14.67346 ? 72  ALA A H    1 
ATOM   865  H  HA   . ALA A 1 72  ? 15.79477 25.40626 9.49750   1.000 14.04204 ? 72  ALA A HA   1 
ATOM   866  H  HB1  . ALA A 1 72  ? 17.40336 23.83793 10.03694  1.000 14.86313 ? 72  ALA A HB1  1 
ATOM   867  H  HB2  . ALA A 1 72  ? 17.05990 24.63450 11.36774  1.000 14.86313 ? 72  ALA A HB2  1 
ATOM   868  H  HB3  . ALA A 1 72  ? 16.44849 23.18812 11.12757  1.000 14.86313 ? 72  ALA A HB3  1 
ATOM   869  N  N    . LEU A 1 73  ? 15.31309 23.71640 7.80527   1.000 11.30795 ? 73  LEU A N    1 
ATOM   870  C  CA   A LEU A 1 73  ? 14.80894 22.84611 6.74680   0.597 11.58598 ? 73  LEU A CA   1 
ATOM   871  C  CA   B LEU A 1 73  ? 14.81946 22.83996 6.75184   0.403 11.92897 ? 73  LEU A CA   1 
ATOM   872  C  C    . LEU A 1 73  ? 15.76841 22.85512 5.55787   1.000 10.91898 ? 73  LEU A C    1 
ATOM   873  O  O    . LEU A 1 73  ? 16.61939 23.74182 5.41295   1.000 12.23302 ? 73  LEU A O    1 
ATOM   874  C  CB   A LEU A 1 73  ? 13.35740 23.19978 6.38347   0.597 13.07561 ? 73  LEU A CB   1 
ATOM   875  C  CB   B LEU A 1 73  ? 13.41696 23.25121 6.31622   0.403 13.62330 ? 73  LEU A CB   1 
ATOM   876  C  CG   A LEU A 1 73  ? 13.09258 24.30710 5.34742   0.597 13.99199 ? 73  LEU A CG   1 
ATOM   877  C  CG   B LEU A 1 73  ? 13.24975 24.70834 5.88783   0.403 14.10990 ? 73  LEU A CG   1 
ATOM   878  C  CD1  A LEU A 1 73  ? 11.58642 24.38600 5.04999   0.597 15.99418 ? 73  LEU A CD1  1 
ATOM   879  C  CD1  B LEU A 1 73  ? 13.81965 25.01822 4.54059   0.403 16.22046 ? 73  LEU A CD1  1 
ATOM   880  C  CD2  A LEU A 1 73  ? 13.64988 25.63975 5.78867   0.597 14.41418 ? 73  LEU A CD2  1 
ATOM   881  C  CD2  B LEU A 1 73  ? 11.75781 25.07311 5.92990   0.403 14.18759 ? 73  LEU A CD2  1 
ATOM   882  H  H    A LEU A 1 73  ? 15.89888 24.28279 7.53023   0.597 13.56948 ? 73  LEU A H    1 
ATOM   883  H  H    B LEU A 1 73  ? 15.89347 24.28764 7.52879   0.403 13.56948 ? 73  LEU A H    1 
ATOM   884  H  HA   A LEU A 1 73  ? 14.80733 21.92710 7.05716   0.597 13.90313 ? 73  LEU A HA   1 
ATOM   885  H  HA   B LEU A 1 73  ? 14.80490 21.93405 7.09827   0.403 14.31471 ? 73  LEU A HA   1 
ATOM   886  H  HB2  A LEU A 1 73  ? 12.94107 22.39530 6.03651   0.597 15.69068 ? 73  LEU A HB2  1 
ATOM   887  H  HB2  B LEU A 1 73  ? 13.16038 22.69857 5.56146   0.403 16.34791 ? 73  LEU A HB2  1 
ATOM   888  H  HB3  A LEU A 1 73  ? 12.91348 23.47736 7.20004   0.597 15.69068 ? 73  LEU A HB3  1 
ATOM   889  H  HB3  B LEU A 1 73  ? 12.81253 23.09906 7.05946   0.403 16.34791 ? 73  LEU A HB3  1 
ATOM   890  H  HG   A LEU A 1 73  ? 13.55509 24.08802 4.52341   0.597 16.79033 ? 73  LEU A HG   1 
ATOM   891  H  HG   B LEU A 1 73  ? 13.75485 25.25492 6.50995   0.403 16.93182 ? 73  LEU A HG   1 
ATOM   892  H  HD11 A LEU A 1 73  ? 11.42677 25.10289 4.41637   0.597 19.19296 ? 73  LEU A HD11 1 
ATOM   893  H  HD11 B LEU A 1 73  ? 13.45526 25.86181 4.22998   0.403 19.46450 ? 73  LEU A HD11 1 
ATOM   894  H  HD12 A LEU A 1 73  ? 11.29408 23.54099 4.67397   0.597 19.19296 ? 73  LEU A HD12 1 
ATOM   895  H  HD12 B LEU A 1 73  ? 14.78488 25.08145 4.61294   0.403 19.46450 ? 73  LEU A HD12 1 
ATOM   896  H  HD13 A LEU A 1 73  ? 11.11017 24.56275 5.87634   0.597 19.19296 ? 73  LEU A HD13 1 
ATOM   897  H  HD13 B LEU A 1 73  ? 13.57990 24.30774 3.92525   0.403 19.46450 ? 73  LEU A HD13 1 
ATOM   898  H  HD21 A LEU A 1 73  ? 13.43618 26.30862 5.11946   0.597 17.29697 ? 73  LEU A HD21 1 
ATOM   899  H  HD21 B LEU A 1 73  ? 11.65927 26.02107 5.74945   0.403 17.02506 ? 73  LEU A HD21 1 
ATOM   900  H  HD22 A LEU A 1 73  ? 13.25093 25.88306 6.63870   0.597 17.29697 ? 73  LEU A HD22 1 
ATOM   901  H  HD22 B LEU A 1 73  ? 11.28753 24.55750 5.25620   0.403 17.02506 ? 73  LEU A HD22 1 
ATOM   902  H  HD23 A LEU A 1 73  ? 14.61211 25.56350 5.88464   0.597 17.29697 ? 73  LEU A HD23 1 
ATOM   903  H  HD23 B LEU A 1 73  ? 11.40669 24.86568 6.81001   0.403 17.02506 ? 73  LEU A HD23 1 
ATOM   904  N  N    . GLY A 1 74  ? 15.57061 21.90167 4.66531   1.000 10.66224 ? 74  GLY A N    1 
ATOM   905  C  CA   . GLY A 1 74  ? 16.28516 21.87816 3.40549   1.000 10.95088 ? 74  GLY A CA   1 
ATOM   906  C  C    . GLY A 1 74  ? 15.58825 20.97879 2.41020   1.000 10.18050 ? 74  GLY A C    1 
ATOM   907  O  O    . GLY A 1 74  ? 14.81230 20.09464 2.79488   1.000 11.43407 ? 74  GLY A O    1 
ATOM   908  H  H    . GLY A 1 74  ? 15.02062 21.24837 4.76684   1.000 12.79464 ? 74  GLY A H    1 
ATOM   909  H  HA2  . GLY A 1 74  ? 16.33048 22.77460 3.03773   1.000 13.14100 ? 74  GLY A HA2  1 
ATOM   910  H  HA3  . GLY A 1 74  ? 17.18655 21.54859 3.54616   1.000 13.14100 ? 74  GLY A HA3  1 
ATOM   911  N  N    . TRP A 1 75  ? 15.88082 21.18776 1.12251   1.000 10.20627 ? 75  TRP A N    1 
ATOM   912  C  CA   . TRP A 1 75  ? 15.32877 20.31742 0.10030   1.000 10.99963 ? 75  TRP A CA   1 
ATOM   913  C  C    . TRP A 1 75  ? 16.23670 20.29480 -1.12681  1.000 10.35337 ? 75  TRP A C    1 
ATOM   914  O  O    . TRP A 1 75  ? 17.08769 21.16971 -1.30523  1.000 10.95958 ? 75  TRP A O    1 
ATOM   915  C  CB   . TRP A 1 75  ? 13.86966 20.65771 -0.26328  1.000 11.41110 ? 75  TRP A CB   1 
ATOM   916  C  CG   . TRP A 1 75  ? 13.72131 21.95159 -0.99585  1.000 12.00866 ? 75  TRP A CG   1 
ATOM   917  C  CD1  . TRP A 1 75  ? 13.67689 22.13691 -2.35165  1.000 12.52351 ? 75  TRP A CD1  1 
ATOM   918  C  CD2  . TRP A 1 75  ? 13.52228 23.24715 -0.39960  1.000 11.70159 ? 75  TRP A CD2  1 
ATOM   919  N  NE1  . TRP A 1 75  ? 13.45877 23.46743 -2.64423  1.000 13.52124 ? 75  TRP A NE1  1 
ATOM   920  C  CE2  . TRP A 1 75  ? 13.39826 24.17051 -1.46021  1.000 12.40461 ? 75  TRP A CE2  1 
ATOM   921  C  CE3  . TRP A 1 75  ? 13.45777 23.72783 0.91553   1.000 12.89915 ? 75  TRP A CE3  1 
ATOM   922  C  CZ2  . TRP A 1 75  ? 13.22094 25.54231 -1.21874  1.000 13.34214 ? 75  TRP A CZ2  1 
ATOM   923  C  CZ3  . TRP A 1 75  ? 13.29570 25.07906 1.12738   1.000 14.41372 ? 75  TRP A CZ3  1 
ATOM   924  C  CH2  . TRP A 1 75  ? 13.15468 25.97497 0.05645   1.000 13.96605 ? 75  TRP A CH2  1 
ATOM   925  H  H    . TRP A 1 75  ? 16.38785 21.81711 0.82852   1.000 12.24747 ? 75  TRP A H    1 
ATOM   926  H  HA   . TRP A 1 75  ? 15.31969 19.41408 0.45356   1.000 13.19950 ? 75  TRP A HA   1 
ATOM   927  H  HB2  . TRP A 1 75  ? 13.51655 19.95397 -0.82982  1.000 13.69327 ? 75  TRP A HB2  1 
ATOM   928  H  HB3  . TRP A 1 75  ? 13.35005 20.71813 0.55357   1.000 13.69327 ? 75  TRP A HB3  1 
ATOM   929  H  HD1  . TRP A 1 75  ? 13.77903 21.46295 -2.98429  1.000 15.02816 ? 75  TRP A HD1  1 
ATOM   930  H  HE1  . TRP A 1 75  ? 13.37476 23.80164 -3.43216  1.000 16.22544 ? 75  TRP A HE1  1 
ATOM   931  H  HE3  . TRP A 1 75  ? 13.52350 23.14240 1.63515   1.000 15.47893 ? 75  TRP A HE3  1 
ATOM   932  H  HZ2  . TRP A 1 75  ? 13.15044 26.14197 -1.92608  1.000 16.01052 ? 75  TRP A HZ2  1 
ATOM   933  H  HZ3  . TRP A 1 75  ? 13.27938 25.40457 1.99841   1.000 17.29642 ? 75  TRP A HZ3  1 
ATOM   934  H  HH2  . TRP A 1 75  ? 13.01382 26.87801 0.22844   1.000 16.75920 ? 75  TRP A HH2  1 
ATOM   935  N  N    . THR A 1 76  ? 16.01573 19.29606 -1.99118  1.000 10.74788 ? 76  THR A N    1 
ATOM   936  C  CA   . THR A 1 76  ? 16.77577 19.09231 -3.21727  1.000 10.28980 ? 76  THR A CA   1 
ATOM   937  C  C    . THR A 1 76  ? 15.83004 19.00042 -4.39869  1.000 10.57773 ? 76  THR A C    1 
ATOM   938  O  O    . THR A 1 76  ? 14.80589 18.31009 -4.32585  1.000 11.69856 ? 76  THR A O    1 
ATOM   939  C  CB   . THR A 1 76  ? 17.60010 17.78934 -3.12276  1.000 11.05125 ? 76  THR A CB   1 
ATOM   940  O  OG1  . THR A 1 76  ? 18.45478 17.79901 -1.99715  1.000 11.12190 ? 76  THR A OG1  1 
ATOM   941  C  CG2  . THR A 1 76  ? 18.47092 17.56025 -4.38426  1.000 11.74139 ? 76  THR A CG2  1 
ATOM   942  H  H    . THR A 1 76  ? 15.40392 18.70222 -1.87875  1.000 12.89741 ? 76  THR A H    1 
ATOM   943  H  HA   . THR A 1 76  ? 17.37134 19.84364 -3.36461  1.000 12.34770 ? 76  THR A HA   1 
ATOM   944  H  HB   . THR A 1 76  ? 16.96435 17.06110 -3.04280  1.000 13.26144 ? 76  THR A HB   1 
ATOM   945  H  HG1  . THR A 1 76  ? 18.00693 17.68696 -1.29539  1.000 13.34623 ? 76  THR A HG1  1 
ATOM   946  H  HG21 . THR A 1 76  ? 19.00092 16.75461 -4.27970  1.000 14.08962 ? 76  THR A HG21 1 
ATOM   947  H  HG22 . THR A 1 76  ? 17.90425 17.46505 -5.16575  1.000 14.08962 ? 76  THR A HG22 1 
ATOM   948  H  HG23 . THR A 1 76  ? 19.06678 18.31399 -4.51742  1.000 14.08962 ? 76  THR A HG23 1 
ATOM   949  N  N    . VAL A 1 77  ? 16.26649 19.55996 -5.52551  1.000 11.05672 ? 77  VAL A N    1 
ATOM   950  C  CA   . VAL A 1 77  ? 15.72322 19.31191 -6.85297  1.000 10.88204 ? 77  VAL A CA   1 
ATOM   951  C  C    . VAL A 1 77  ? 16.86332 18.82618 -7.73668  1.000 11.37781 ? 77  VAL A C    1 
ATOM   952  O  O    . VAL A 1 77  ? 17.88862 19.50507 -7.83965  1.000 12.19822 ? 77  VAL A O    1 
ATOM   953  C  CB   . VAL A 1 77  ? 15.14838 20.59066 -7.48254  1.000 11.62965 ? 77  VAL A CB   1 
ATOM   954  C  CG1  . VAL A 1 77  ? 14.79285 20.40654 -8.96797  1.000 13.25362 ? 77  VAL A CG1  1 
ATOM   955  C  CG2  . VAL A 1 77  ? 13.91640 21.07872 -6.67326  1.000 12.31474 ? 77  VAL A CG2  1 
ATOM   956  H  H    . VAL A 1 77  ? 16.91752 20.12158 -5.54416  1.000 13.26801 ? 77  VAL A H    1 
ATOM   957  H  HA   . VAL A 1 77  ? 15.02982 18.63722 -6.78302  1.000 13.05840 ? 77  VAL A HA   1 
ATOM   958  H  HB   . VAL A 1 77  ? 15.83643 21.27354 -7.44866  1.000 13.95553 ? 77  VAL A HB   1 
ATOM   959  H  HG11 . VAL A 1 77  ? 14.38979 21.22402 -9.29990  1.000 15.90429 ? 77  VAL A HG11 1 
ATOM   960  H  HG12 . VAL A 1 77  ? 15.60288 20.21171 -9.46476  1.000 15.90429 ? 77  VAL A HG12 1 
ATOM   961  H  HG13 . VAL A 1 77  ? 14.16695 19.67051 -9.05400  1.000 15.90429 ? 77  VAL A HG13 1 
ATOM   962  H  HG21 . VAL A 1 77  ? 13.71914 21.99566 -6.92065  1.000 14.77763 ? 77  VAL A HG21 1 
ATOM   963  H  HG22 . VAL A 1 77  ? 13.15795 20.51012 -6.87903  1.000 14.77763 ? 77  VAL A HG22 1 
ATOM   964  H  HG23 . VAL A 1 77  ? 14.12041 21.02818 -5.72630  1.000 14.77763 ? 77  VAL A HG23 1 
ATOM   965  N  N    . ALA A 1 78  ? 16.68314 17.68889 -8.41279  1.000 11.17677 ? 78  ALA A N    1 
ATOM   966  C  CA   . ALA A 1 78  ? 17.51668 17.32953 -9.55280  1.000 11.68474 ? 78  ALA A CA   1 
ATOM   967  C  C    . ALA A 1 78  ? 16.80122 17.78239 -10.82685 1.000 11.67598 ? 78  ALA A C    1 
ATOM   968  O  O    . ALA A 1 78  ? 15.60438 17.51234 -11.00553 1.000 12.49794 ? 78  ALA A O    1 
ATOM   969  C  CB   . ALA A 1 78  ? 17.79699 15.83082 -9.64098  1.000 12.92386 ? 78  ALA A CB   1 
ATOM   970  H  H    . ALA A 1 78  ? 16.07819 17.10713 -8.22521  1.000 13.41207 ? 78  ALA A H    1 
ATOM   971  H  HA   . ALA A 1 78  ? 18.37410 17.77367 -9.46069  1.000 14.02164 ? 78  ALA A HA   1 
ATOM   972  H  HB1  . ALA A 1 78  ? 18.32386 15.65433 -10.43607 1.000 15.50858 ? 78  ALA A HB1  1 
ATOM   973  H  HB2  . ALA A 1 78  ? 18.28737 15.55425 -8.85109  1.000 15.50858 ? 78  ALA A HB2  1 
ATOM   974  H  HB3  . ALA A 1 78  ? 16.95363 15.35419 -9.69050  1.000 15.50858 ? 78  ALA A HB3  1 
ATOM   975  N  N    . TRP A 1 79  ? 17.52557 18.48949 -11.69316 1.000 11.54956 ? 79  TRP A N    1 
ATOM   976  C  CA   . TRP A 1 79  ? 16.90639 19.21436 -12.80401 1.000 11.55103 ? 79  TRP A CA   1 
ATOM   977  C  C    . TRP A 1 79  ? 16.65428 18.34164 -14.03415 1.000 12.54710 ? 79  TRP A C    1 
ATOM   978  O  O    . TRP A 1 79  ? 16.97136 18.71996 -15.17047 1.000 12.60667 ? 79  TRP A O    1 
ATOM   979  C  CB   . TRP A 1 79  ? 17.74355 20.44524 -13.13369 1.000 12.07782 ? 79  TRP A CB   1 
ATOM   980  C  CG   . TRP A 1 79  ? 17.76999 21.41040 -11.97121 1.000 11.92243 ? 79  TRP A CG   1 
ATOM   981  C  CD1  . TRP A 1 79  ? 18.81925 21.66997 -11.11816 1.000 11.54161 ? 79  TRP A CD1  1 
ATOM   982  C  CD2  . TRP A 1 79  ? 16.68652 22.25899 -11.53202 1.000 11.50266 ? 79  TRP A CD2  1 
ATOM   983  N  NE1  . TRP A 1 79  ? 18.44091 22.58441 -10.17389 1.000 11.68836 ? 79  TRP A NE1  1 
ATOM   984  C  CE2  . TRP A 1 79  ? 17.14893 22.97953 -10.40897 1.000 11.52291 ? 79  TRP A CE2  1 
ATOM   985  C  CE3  . TRP A 1 79  ? 15.36466 22.48296 -11.99091 1.000 12.84278 ? 79  TRP A CE3  1 
ATOM   986  C  CZ2  . TRP A 1 79  ? 16.35619 23.88583 -9.75416  1.000 12.18199 ? 79  TRP A CZ2  1 
ATOM   987  C  CZ3  . TRP A 1 79  ? 14.56407 23.40369 -11.33098 1.000 12.86964 ? 79  TRP A CZ3  1 
ATOM   988  C  CH2  . TRP A 1 79  ? 15.07014 24.08298 -10.20514 1.000 12.12634 ? 79  TRP A CH2  1 
ATOM   989  H  H    . TRP A 1 79  ? 18.38150 18.56627 -11.66008 1.000 13.85942 ? 79  TRP A H    1 
ATOM   990  H  HA   . TRP A 1 79  ? 16.02305 19.50602 -12.52917 1.000 13.86118 ? 79  TRP A HA   1 
ATOM   991  H  HB2  . TRP A 1 79  ? 18.65407 20.17321 -13.32828 1.000 14.49334 ? 79  TRP A HB2  1 
ATOM   992  H  HB3  . TRP A 1 79  ? 17.36157 20.89881 -13.90133 1.000 14.49334 ? 79  TRP A HB3  1 
ATOM   993  H  HD1  . TRP A 1 79  ? 19.66184 21.28055 -11.17561 1.000 13.84988 ? 79  TRP A HD1  1 
ATOM   994  H  HE1  . TRP A 1 79  ? 18.93716 22.86806 -9.53133  1.000 14.02598 ? 79  TRP A HE1  1 
ATOM   995  H  HE3  . TRP A 1 79  ? 15.03739 22.01765 -12.72663 1.000 15.41128 ? 79  TRP A HE3  1 
ATOM   996  H  HZ2  . TRP A 1 79  ? 16.67993 24.35754 -9.02096  1.000 14.61833 ? 79  TRP A HZ2  1 
ATOM   997  H  HZ3  . TRP A 1 79  ? 13.69942 23.57140 -11.62956 1.000 15.44352 ? 79  TRP A HZ3  1 
ATOM   998  H  HH2  . TRP A 1 79  ? 14.51992 24.68161 -9.75369  1.000 14.55155 ? 79  TRP A HH2  1 
ATOM   999  N  N    . LYS A 1 80  ? 16.02186 17.19792 -13.78518 1.000 12.90132 ? 80  LYS A N    1 
ATOM   1000 C  CA   . LYS A 1 80  ? 15.55136 16.28722 -14.82222 1.000 13.07567 ? 80  LYS A CA   1 
ATOM   1001 C  C    . LYS A 1 80  ? 14.05171 16.10454 -14.63186 1.000 13.33278 ? 80  LYS A C    1 
ATOM   1002 O  O    . LYS A 1 80  ? 13.57452 15.81583 -13.52972 1.000 13.25101 ? 80  LYS A O    1 
ATOM   1003 C  CB   . LYS A 1 80  ? 16.24218 14.92631 -14.68716 1.000 13.97334 ? 80  LYS A CB   1 
ATOM   1004 C  CG   . LYS A 1 80  ? 15.67987 13.84445 -15.60533 1.000 15.24686 ? 80  LYS A CG   1 
ATOM   1005 C  CD   . LYS A 1 80  ? 16.38313 12.51072 -15.40925 1.000 19.47490 ? 80  LYS A CD   1 
ATOM   1006 C  CE   . LYS A 1 80  ? 15.74482 11.38365 -16.18169 1.000 22.71253 ? 80  LYS A CE   1 
ATOM   1007 N  NZ   . LYS A 1 80  ? 14.39247 11.04444 -15.63175 1.000 25.57965 ? 80  LYS A NZ   1 
ATOM   1008 H  H    . LYS A 1 80  ? 15.84738 16.91785 -12.99100 1.000 15.48153 ? 80  LYS A H    1 
ATOM   1009 H  HA   . LYS A 1 80  ? 15.73187 16.64972 -15.70365 1.000 15.69075 ? 80  LYS A HA   1 
ATOM   1010 H  HB2  . LYS A 1 80  ? 17.18239 15.03347 -14.90031 1.000 16.76795 ? 80  LYS A HB2  1 
ATOM   1011 H  HB3  . LYS A 1 80  ? 16.14234 14.61739 -13.77310 1.000 16.76795 ? 80  LYS A HB3  1 
ATOM   1012 H  HG2  . LYS A 1 80  ? 14.73707 13.72088 -15.41361 1.000 18.29618 ? 80  LYS A HG2  1 
ATOM   1013 H  HG3  . LYS A 1 80  ? 15.79776 14.11619 -16.52900 1.000 18.29618 ? 80  LYS A HG3  1 
ATOM   1014 H  HD2  . LYS A 1 80  ? 17.30252 12.59273 -15.70743 1.000 23.36983 ? 80  LYS A HD2  1 
ATOM   1015 H  HD3  . LYS A 1 80  ? 16.35918 12.27754 -14.46800 1.000 23.36983 ? 80  LYS A HD3  1 
ATOM   1016 H  HE2  . LYS A 1 80  ? 15.64045 11.64768 -17.10921 1.000 27.25498 ? 80  LYS A HE2  1 
ATOM   1017 H  HE3  . LYS A 1 80  ? 16.30585 10.59458 -16.12249 1.000 27.25498 ? 80  LYS A HE3  1 
ATOM   1018 H  HZ1  . LYS A 1 80  ? 14.04799 10.35394 -16.07517 1.000 30.69553 ? 80  LYS A HZ1  1 
ATOM   1019 H  HZ2  . LYS A 1 80  ? 14.45906 10.83039 -14.77044 1.000 30.69553 ? 80  LYS A HZ2  1 
ATOM   1020 H  HZ3  . LYS A 1 80  ? 13.84639 11.74233 -15.71454 1.000 30.69553 ? 80  LYS A HZ3  1 
ATOM   1021 N  N    . ASN A 1 81  ? 13.30539 16.26926 -15.71769 1.000 13.64416 ? 81  ASN A N    1 
ATOM   1022 C  CA   . ASN A 1 81  ? 11.89527 15.94100 -15.76951 1.000 13.75757 ? 81  ASN A CA   1 
ATOM   1023 C  C    . ASN A 1 81  ? 11.59295 15.42262 -17.17720 1.000 15.28194 ? 81  ASN A C    1 
ATOM   1024 O  O    . ASN A 1 81  ? 12.51204 15.04322 -17.91659 1.000 16.11304 ? 81  ASN A O    1 
ATOM   1025 C  CB   . ASN A 1 81  ? 11.00896 17.11459 -15.33894 1.000 14.35357 ? 81  ASN A CB   1 
ATOM   1026 C  CG   . ASN A 1 81  ? 11.04328 18.28879 -16.28870 1.000 14.51689 ? 81  ASN A CG   1 
ATOM   1027 O  OD1  . ASN A 1 81  ? 11.58556 18.22296 -17.40094 1.000 15.23324 ? 81  ASN A OD1  1 
ATOM   1028 N  ND2  . ASN A 1 81  ? 10.41963 19.38579 -15.85925 1.000 15.09501 ? 81  ASN A ND2  1 
ATOM   1029 H  H    . ASN A 1 81  ? 13.60710 16.58056 -16.46043 1.000 16.37293 ? 81  ASN A H    1 
ATOM   1030 H  HA   . ASN A 1 81  ? 11.71997 15.22819 -15.13541 1.000 16.50903 ? 81  ASN A HA   1 
ATOM   1031 H  HB2  . ASN A 1 81  ? 10.09062 16.80734 -15.28282 1.000 17.22423 ? 81  ASN A HB2  1 
ATOM   1032 H  HB3  . ASN A 1 81  ? 11.30742 17.42843 -14.47099 1.000 17.22423 ? 81  ASN A HB3  1 
ATOM   1033 H  HD21 . ASN A 1 81  ? 10.40147 20.09069 -16.35157 1.000 18.11396 ? 81  ASN A HD21 1 
ATOM   1034 H  HD22 . ASN A 1 81  ? 10.03542 19.38866 -15.08985 1.000 18.11396 ? 81  ASN A HD22 1 
ATOM   1035 N  N    . ASN A 1 82  ? 10.30833 15.31525 -17.51940 1.000 15.89511 ? 82  ASN A N    1 
ATOM   1036 C  CA   . ASN A 1 82  ? 9.99451  14.74852 -18.82907 1.000 17.87485 ? 82  ASN A CA   1 
ATOM   1037 C  C    . ASN A 1 82  ? 10.33041 15.65961 -19.99251 1.000 17.13204 ? 82  ASN A C    1 
ATOM   1038 O  O    . ASN A 1 82  ? 10.28816 15.21466 -21.15037 1.000 21.80166 ? 82  ASN A O    1 
ATOM   1039 C  CB   . ASN A 1 82  ? 8.53971  14.29498 -18.87769 1.000 23.18233 ? 82  ASN A CB   1 
ATOM   1040 C  CG   . ASN A 1 82  ? 8.31255  13.11476 -18.02059 1.000 31.44476 ? 82  ASN A CG   1 
ATOM   1041 O  OD1  . ASN A 1 82  ? 9.15557  12.19606 -17.98595 1.000 34.00927 ? 82  ASN A OD1  1 
ATOM   1042 N  ND2  . ASN A 1 82  ? 7.10197  13.01151 -17.47769 1.000 37.41755 ? 82  ASN A ND2  1 
ATOM   1043 H  H    . ASN A 1 82  ? 9.63682  15.55086 -17.03653 1.000 19.07408 ? 82  ASN A H    1 
ATOM   1044 H  HA   . ASN A 1 82  ? 10.53913 13.95520 -18.95134 1.000 21.44977 ? 82  ASN A HA   1 
ATOM   1045 H  HB2  . ASN A 1 82  ? 7.96870  15.01399 -18.56485 1.000 27.81874 ? 82  ASN A HB2  1 
ATOM   1046 H  HB3  . ASN A 1 82  ? 8.30719  14.05947 -19.78949 1.000 27.81874 ? 82  ASN A HB3  1 
ATOM   1047 H  HD21 . ASN A 1 82  ? 6.50742  13.61261 -17.63511 1.000 44.90101 ? 82  ASN A HD21 1 
ATOM   1048 H  HD22 . ASN A 1 82  ? 6.91419  12.34368 -16.96942 1.000 44.90101 ? 82  ASN A HD22 1 
ATOM   1049 N  N    . TYR A 1 83  ? 10.64442 16.91103 -19.72553 1.000 16.38227 ? 83  TYR A N    1 
ATOM   1050 C  CA   . TYR A 1 83  ? 10.92138 17.88826 -20.76840 1.000 16.76134 ? 83  TYR A CA   1 
ATOM   1051 C  C    . TYR A 1 83  ? 12.40305 18.14684 -21.01022 1.000 16.13661 ? 83  TYR A C    1 
ATOM   1052 O  O    . TYR A 1 83  ? 12.81436 18.38518 -22.15572 1.000 17.73067 ? 83  TYR A O    1 
ATOM   1053 C  CB   . TYR A 1 83  ? 10.22223 19.21413 -20.40991 1.000 17.39180 ? 83  TYR A CB   1 
ATOM   1054 C  CG   . TYR A 1 83  ? 8.74444  19.08905 -20.25298 1.000 18.62048 ? 83  TYR A CG   1 
ATOM   1055 C  CD1  . TYR A 1 83  ? 7.94039  19.04275 -21.36340 1.000 23.66952 ? 83  TYR A CD1  1 
ATOM   1056 C  CD2  . TYR A 1 83  ? 8.16317  18.99553 -19.01885 1.000 21.09305 ? 83  TYR A CD2  1 
ATOM   1057 C  CE1  . TYR A 1 83  ? 6.62136  18.91430 -21.23677 1.000 28.23579 ? 83  TYR A CE1  1 
ATOM   1058 C  CE2  . TYR A 1 83  ? 6.83991  18.80653 -18.88130 1.000 25.73154 ? 83  TYR A CE2  1 
ATOM   1059 C  CZ   . TYR A 1 83  ? 6.05018  18.81255 -19.99877 1.000 28.71913 ? 83  TYR A CZ   1 
ATOM   1060 O  OH   . TYR A 1 83  ? 4.67744  18.70548 -19.90808 1.000 33.37644 ? 83  TYR A OH   1 
ATOM   1061 H  H    . TYR A 1 83  ? 10.70611 17.23052 -18.92946 1.000 19.65867 ? 83  TYR A H    1 
ATOM   1062 H  HA   . TYR A 1 83  ? 10.56368 17.55518 -21.60626 1.000 20.11355 ? 83  TYR A HA   1 
ATOM   1063 H  HB2  . TYR A 1 83  ? 10.58285 19.54011 -19.57051 1.000 20.87010 ? 83  TYR A HB2  1 
ATOM   1064 H  HB3  . TYR A 1 83  ? 10.39189 19.85728 -21.11594 1.000 20.87010 ? 83  TYR A HB3  1 
ATOM   1065 H  HD1  . TYR A 1 83  ? 8.31936  19.10151 -22.21065 1.000 28.40337 ? 83  TYR A HD1  1 
ATOM   1066 H  HD2  . TYR A 1 83  ? 8.69473  19.06416 -18.25883 1.000 25.31161 ? 83  TYR A HD2  1 
ATOM   1067 H  HE1  . TYR A 1 83  ? 6.08457  18.89362 -21.99593 1.000 33.88290 ? 83  TYR A HE1  1 
ATOM   1068 H  HE2  . TYR A 1 83  ? 6.46670  18.67373 -18.03989 1.000 30.87779 ? 83  TYR A HE2  1 
ATOM   1069 H  HH   . TYR A 1 83  ? 4.44251  18.69783 -19.10164 1.000 40.05168 ? 83  TYR A HH   1 
ATOM   1070 N  N    . ARG A 1 84  ? 13.21039 18.16081 -19.94463 1.000 16.51935 ? 84  ARG A N    1 
ATOM   1071 C  CA   . ARG A 1 84  ? 14.56580 18.65698 -20.02334 1.000 16.76279 ? 84  ARG A CA   1 
ATOM   1072 C  C    . ARG A 1 84  ? 15.39991 17.88365 -19.01227 1.000 16.01845 ? 84  ARG A C    1 
ATOM   1073 O  O    . ARG A 1 84  ? 14.88517 17.41622 -17.99465 1.000 16.28511 ? 84  ARG A O    1 
ATOM   1074 C  CB   . ARG A 1 84  ? 14.61810 20.15979 -19.65598 1.000 21.01446 ? 84  ARG A CB   1 
ATOM   1075 C  CG   . ARG A 1 84  ? 14.00788 21.05945 -20.67204 1.000 22.93152 ? 84  ARG A CG   1 
ATOM   1076 C  CD   . ARG A 1 84  ? 14.55133 22.42008 -20.38454 1.000 25.56752 ? 84  ARG A CD   1 
ATOM   1077 N  NE   . ARG A 1 84  ? 13.79314 23.32607 -21.22291 1.000 24.64344 ? 84  ARG A NE   1 
ATOM   1078 C  CZ   . ARG A 1 84  ? 14.03530 24.60062 -21.26736 1.000 24.65697 ? 84  ARG A CZ   1 
ATOM   1079 N  NH1  . ARG A 1 84  ? 15.15020 25.08226 -20.74664 1.000 23.96558 ? 84  ARG A NH1  1 
ATOM   1080 N  NH2  . ARG A 1 84  ? 13.17986 25.38807 -21.90478 1.000 26.08747 ? 84  ARG A NH2  1 
ATOM   1081 H  H    . ARG A 1 84  ? 12.98474 17.88355 -19.16244 1.000 19.82316 ? 84  ARG A H    1 
ATOM   1082 H  HA   . ARG A 1 84  ? 14.91781 18.52587 -20.91765 1.000 20.11530 ? 84  ARG A HA   1 
ATOM   1083 H  HB2  . ARG A 1 84  ? 14.14062 20.29164 -18.82200 1.000 25.21730 ? 84  ARG A HB2  1 
ATOM   1084 H  HB3  . ARG A 1 84  ? 15.54641 20.42108 -19.55167 1.000 25.21730 ? 84  ARG A HB3  1 
ATOM   1085 H  HG2  . ARG A 1 84  ? 14.26080 20.78680 -21.56791 1.000 27.51777 ? 84  ARG A HG2  1 
ATOM   1086 H  HG3  . ARG A 1 84  ? 13.04157 21.06669 -20.58784 1.000 27.51777 ? 84  ARG A HG3  1 
ATOM   1087 H  HD2  . ARG A 1 84  ? 14.42416 22.65051 -19.45093 1.000 30.68097 ? 84  ARG A HD2  1 
ATOM   1088 H  HD3  . ARG A 1 84  ? 15.49273 22.46929 -20.61314 1.000 30.68097 ? 84  ARG A HD3  1 
ATOM   1089 H  HE   . ARG A 1 84  ? 13.15919 23.00778 -21.70913 1.000 29.57208 ? 84  ARG A HE   1 
ATOM   1090 H  HH11 . ARG A 1 84  ? 15.71690 24.55107 -20.37745 1.000 28.75864 ? 84  ARG A HH11 1 
ATOM   1091 H  HH12 . ARG A 1 84  ? 15.30910 25.92691 -20.77692 1.000 28.75864 ? 84  ARG A HH12 1 
ATOM   1092 H  HH21 . ARG A 1 84  ? 12.48181 25.05177 -22.27791 1.000 31.30492 ? 84  ARG A HH21 1 
ATOM   1093 H  HH22 . ARG A 1 84  ? 13.32308 26.23510 -21.94507 1.000 31.30492 ? 84  ARG A HH22 1 
ATOM   1094 N  N    . ASN A 1 85  ? 16.70542 17.87838 -19.23183 1.000 15.35455 ? 85  ASN A N    1 
ATOM   1095 C  CA   . ASN A 1 85  ? 17.62460 17.41000 -18.20056 1.000 14.65760 ? 85  ASN A CA   1 
ATOM   1096 C  C    . ASN A 1 85  ? 18.85623 18.31002 -18.23402 1.000 14.76908 ? 85  ASN A C    1 
ATOM   1097 O  O    . ASN A 1 85  ? 19.65502 18.23973 -19.19312 1.000 16.61382 ? 85  ASN A O    1 
ATOM   1098 C  CB   . ASN A 1 85  ? 18.01827 15.94978 -18.42879 1.000 14.83886 ? 85  ASN A CB   1 
ATOM   1099 C  CG   . ASN A 1 85  ? 18.80398 15.40085 -17.26047 1.000 14.89216 ? 85  ASN A CG   1 
ATOM   1100 O  OD1  . ASN A 1 85  ? 19.23786 16.14489 -16.37052 1.000 14.58968 ? 85  ASN A OD1  1 
ATOM   1101 N  ND2  . ASN A 1 85  ? 19.01642 14.11628 -17.25225 1.000 16.41474 ? 85  ASN A ND2  1 
ATOM   1102 H  H    . ASN A 1 85  ? 17.08105 18.13771 -19.96070 1.000 18.42541 ? 85  ASN A H    1 
ATOM   1103 H  HA   . ASN A 1 85  ? 17.20257 17.48310 -17.33025 1.000 17.58907 ? 85  ASN A HA   1 
ATOM   1104 H  HB2  . ASN A 1 85  ? 17.21680 15.41413 -18.53670 1.000 17.80657 ? 85  ASN A HB2  1 
ATOM   1105 H  HB3  . ASN A 1 85  ? 18.56937 15.88627 -19.22450 1.000 17.80657 ? 85  ASN A HB3  1 
ATOM   1106 H  HD21 . ASN A 1 85  ? 19.45883 13.75771 -16.60780 1.000 19.69764 ? 85  ASN A HD21 1 
ATOM   1107 H  HD22 . ASN A 1 85  ? 18.71432 13.62638 -17.89126 1.000 19.69764 ? 85  ASN A HD22 1 
ATOM   1108 N  N    . ALA A 1 86  ? 19.01510 19.13942 -17.18796 1.000 13.82179 ? 86  ALA A N    1 
ATOM   1109 C  CA   . ALA A 1 86  ? 20.12524 20.05964 -17.10049 1.000 13.76659 ? 86  ALA A CA   1 
ATOM   1110 C  C    . ALA A 1 86  ? 21.29752 19.48608 -16.33041 1.000 13.43435 ? 86  ALA A C    1 
ATOM   1111 O  O    . ALA A 1 86  ? 22.19205 20.22284 -15.95585 1.000 15.53845 ? 86  ALA A O    1 
ATOM   1112 C  CB   . ALA A 1 86  ? 19.65757 21.32147 -16.42923 1.000 15.55692 ? 86  ALA A CB   1 
ATOM   1113 H  H    . ALA A 1 86  ? 18.47871 19.17644 -16.51676 1.000 16.58610 ? 86  ALA A H    1 
ATOM   1114 H  HA   . ALA A 1 86  ? 20.43491 20.27250 -17.99475 1.000 16.51985 ? 86  ALA A HA   1 
ATOM   1115 H  HB1  . ALA A 1 86  ? 20.37972 21.96905 -16.43594 1.000 18.66826 ? 86  ALA A HB1  1 
ATOM   1116 H  HB2  . ALA A 1 86  ? 18.89398 21.67250 -16.91360 1.000 18.66826 ? 86  ALA A HB2  1 
ATOM   1117 H  HB3  . ALA A 1 86  ? 19.40438 21.11780 -15.51528 1.000 18.66826 ? 86  ALA A HB3  1 
ATOM   1118 N  N    . HIS A 1 87  ? 21.29458 18.20628 -16.06372 1.000 12.77935 ? 87  HIS A N    1 
ATOM   1119 C  CA   . HIS A 1 87  ? 22.43020 17.49074 -15.45896 1.000 13.41028 ? 87  HIS A CA   1 
ATOM   1120 C  C    . HIS A 1 87  ? 22.99662 18.26496 -14.26974 1.000 12.30947 ? 87  HIS A C    1 
ATOM   1121 O  O    . HIS A 1 87  ? 24.18491 18.60737 -14.20845 1.000 13.09576 ? 87  HIS A O    1 
ATOM   1122 C  CB   . HIS A 1 87  ? 23.51229 17.17998 -16.47128 1.000 14.26571 ? 87  HIS A CB   1 
ATOM   1123 C  CG   . HIS A 1 87  ? 23.02606 16.34352 -17.62578 1.000 15.26994 ? 87  HIS A CG   1 
ATOM   1124 N  ND1  . HIS A 1 87  ? 22.31375 15.16946 -17.47675 1.000 15.55216 ? 87  HIS A ND1  1 
ATOM   1125 C  CD2  . HIS A 1 87  ? 23.10461 16.56242 -18.96235 1.000 16.23875 ? 87  HIS A CD2  1 
ATOM   1126 C  CE1  . HIS A 1 87  ? 21.98352 14.69761 -18.67201 1.000 15.86333 ? 87  HIS A CE1  1 
ATOM   1127 N  NE2  . HIS A 1 87  ? 22.46538 15.51872 -19.60061 1.000 16.83662 ? 87  HIS A NE2  1 
ATOM   1128 H  H    . HIS A 1 87  ? 20.62456 17.69166 -16.22447 1.000 15.33517 ? 87  HIS A H    1 
ATOM   1129 H  HA   . HIS A 1 87  ? 22.09247 16.64306 -15.12992 1.000 16.09229 ? 87  HIS A HA   1 
ATOM   1130 H  HB2  . HIS A 1 87  ? 23.85436 18.01354 -16.83054 1.000 17.11879 ? 87  HIS A HB2  1 
ATOM   1131 H  HB3  . HIS A 1 87  ? 24.22463 16.69216 -16.02911 1.000 17.11879 ? 87  HIS A HB3  1 
ATOM   1132 H  HD2  . HIS A 1 87  ? 23.51610 17.28705 -19.37525 1.000 19.48644 ? 87  HIS A HD2  1 
ATOM   1133 H  HE1  . HIS A 1 87  ? 21.49636 13.92206 -18.83352 1.000 19.03595 ? 87  HIS A HE1  1 
ATOM   1134 N  N    . SER A 1 88  ? 22.11508 18.52061 -13.30978 1.000 12.20887 ? 88  SER A N    1 
ATOM   1135 C  CA   . SER A 1 88  ? 22.45954 19.37977 -12.18689 1.000 11.46568 ? 88  SER A CA   1 
ATOM   1136 C  C    . SER A 1 88  ? 21.42779 19.17587 -11.08045 1.000 11.29472 ? 88  SER A C    1 
ATOM   1137 O  O    . SER A 1 88  ? 20.33462 18.62206 -11.30377 1.000 11.78716 ? 88  SER A O    1 
ATOM   1138 C  CB   . SER A 1 88  ? 22.57081 20.85101 -12.59753 1.000 12.18966 ? 88  SER A CB   1 
ATOM   1139 O  OG   . SER A 1 88  ? 21.42468 21.31084 -13.28430 1.000 13.94858 ? 88  SER A OG   1 
ATOM   1140 H  H    . SER A 1 88  ? 21.31383 18.20905 -13.28683 1.000 14.65059 ? 88  SER A H    1 
ATOM   1141 H  HA   . SER A 1 88  ? 23.32472 19.11735 -11.83547 1.000 13.75876 ? 88  SER A HA   1 
ATOM   1142 H  HB2  . SER A 1 88  ? 22.68710 21.38695 -11.79744 1.000 14.62754 ? 88  SER A HB2  1 
ATOM   1143 H  HB3  . SER A 1 88  ? 23.34049 20.95187 -13.17918 1.000 14.62754 ? 88  SER A HB3  1 
ATOM   1144 H  HG   . SER A 1 88  ? 21.43506 21.03480 -14.07758 1.000 16.73825 ? 88  SER A HG   1 
ATOM   1145 N  N    . ALA A 1 89  ? 21.80213 19.62393 -9.87973  1.000 10.95981 ? 89  ALA A N    1 
ATOM   1146 C  CA   . ALA A 1 89  ? 20.91517 19.53260 -8.72652  1.000 10.32078 ? 89  ALA A CA   1 
ATOM   1147 C  C    . ALA A 1 89  ? 21.13605 20.74584 -7.86507  1.000 10.41285 ? 89  ALA A C    1 
ATOM   1148 O  O    . ALA A 1 89  ? 22.28474 21.15423 -7.65819  1.000 11.01528 ? 89  ALA A O    1 
ATOM   1149 C  CB   . ALA A 1 89  ? 21.18649 18.26820 -7.89451  1.000 12.17340 ? 89  ALA A CB   1 
ATOM   1150 H  H    . ALA A 1 89  ? 22.56492 19.98389 -9.71188  1.000 13.15171 ? 89  ALA A H    1 
ATOM   1151 H  HA   . ALA A 1 89  ? 19.99259 19.50618 -9.02494  1.000 12.38488 ? 89  ALA A HA   1 
ATOM   1152 H  HB1  . ALA A 1 89  ? 20.53022 18.21187 -7.18244  1.000 14.60802 ? 89  ALA A HB1  1 
ATOM   1153 H  HB2  . ALA A 1 89  ? 21.11753 17.49053 -8.47017  1.000 14.60802 ? 89  ALA A HB2  1 
ATOM   1154 H  HB3  . ALA A 1 89  ? 22.07887 18.32317 -7.51830  1.000 14.60802 ? 89  ALA A HB3  1 
ATOM   1155 N  N    . THR A 1 90  ? 20.05089 21.31748 -7.36457  1.000 10.24540 ? 90  THR A N    1 
ATOM   1156 C  CA   . THR A 1 90  ? 20.12978 22.38074 -6.35630  1.000 10.09598 ? 90  THR A CA   1 
ATOM   1157 C  C    . THR A 1 90  ? 19.65426 21.89176 -5.01087  1.000 9.82888  ? 90  THR A C    1 
ATOM   1158 O  O    . THR A 1 90  ? 18.62537 21.22195 -4.92822  1.000 10.55832 ? 90  THR A O    1 
ATOM   1159 C  CB   . THR A 1 90  ? 19.28697 23.57906 -6.77317  1.000 9.77787  ? 90  THR A CB   1 
ATOM   1160 O  OG1  . THR A 1 90  ? 19.77741 23.99564 -8.04820  1.000 10.51577 ? 90  THR A OG1  1 
ATOM   1161 C  CG2  . THR A 1 90  ? 19.40751 24.71269 -5.77234  1.000 10.78400 ? 90  THR A CG2  1 
ATOM   1162 H  H    . THR A 1 90  ? 19.24794 21.10899 -7.59131  1.000 12.29443 ? 90  THR A H    1 
ATOM   1163 H  HA   . THR A 1 90  ? 21.05683 22.65104 -6.26460  1.000 12.11513 ? 90  THR A HA   1 
ATOM   1164 H  HB   . THR A 1 90  ? 18.34539 23.34978 -6.81509  1.000 11.73339 ? 90  THR A HB   1 
ATOM   1165 H  HG1  . THR A 1 90  ? 19.42504 24.72613 -8.26688  1.000 12.61887 ? 90  THR A HG1  1 
ATOM   1166 H  HG21 . THR A 1 90  ? 18.86661 25.46576 -6.05733  1.000 12.94074 ? 90  THR A HG21 1 
ATOM   1167 H  HG22 . THR A 1 90  ? 19.10280 24.41860 -4.89967  1.000 12.94074 ? 90  THR A HG22 1 
ATOM   1168 H  HG23 . THR A 1 90  ? 20.33220 24.99747 -5.70341  1.000 12.94074 ? 90  THR A HG23 1 
ATOM   1169 N  N    . THR A 1 91  ? 20.37743 22.26743 -3.94761  1.000 9.79587  ? 91  THR A N    1 
ATOM   1170 C  CA   . THR A 1 91  ? 19.91039 22.10431 -2.59008  1.000 9.91352  ? 91  THR A CA   1 
ATOM   1171 C  C    . THR A 1 91  ? 19.70302 23.46319 -1.96096  1.000 9.89207  ? 91  THR A C    1 
ATOM   1172 O  O    . THR A 1 91  ? 20.59766 24.29913 -2.03594  1.000 11.18092 ? 91  THR A O    1 
ATOM   1173 C  CB   . THR A 1 91  ? 20.86200 21.27146 -1.72153  1.000 10.62205 ? 91  THR A CB   1 
ATOM   1174 O  OG1  . THR A 1 91  ? 22.13149 21.89325 -1.59432  1.000 11.24970 ? 91  THR A OG1  1 
ATOM   1175 C  CG2  . THR A 1 91  ? 21.06250 19.87954 -2.28177  1.000 11.56497 ? 91  THR A CG2  1 
ATOM   1176 H  H    . THR A 1 91  ? 21.15729 22.62584 -4.00210  1.000 11.75500 ? 91  THR A H    1 
ATOM   1177 H  HA   . THR A 1 91  ? 19.06411 21.63140 -2.62273  1.000 11.89617 ? 91  THR A HA   1 
ATOM   1178 H  HB   . THR A 1 91  ? 20.45417 21.19889 -0.84443  1.000 12.74640 ? 91  THR A HB   1 
ATOM   1179 H  HG1  . THR A 1 91  ? 22.70014 21.33407 -1.33058  1.000 13.49959 ? 91  THR A HG1  1 
ATOM   1180 H  HG21 . THR A 1 91  ? 21.78539 19.43411 -1.81281  1.000 13.87791 ? 91  THR A HG21 1 
ATOM   1181 H  HG22 . THR A 1 91  ? 20.25076 19.35919 -2.17588  1.000 13.87791 ? 91  THR A HG22 1 
ATOM   1182 H  HG23 . THR A 1 91  ? 21.28318 19.93017 -3.22498  1.000 13.87791 ? 91  THR A HG23 1 
ATOM   1183 N  N    . TRP A 1 92  ? 18.57251 23.66103 -1.31714  1.000 9.92541  ? 92  TRP A N    1 
ATOM   1184 C  CA   . TRP A 1 92  ? 18.27534 24.85004 -0.52703  1.000 9.58408  ? 92  TRP A CA   1 
ATOM   1185 C  C    . TRP A 1 92  ? 18.34348 24.45606 0.94022   1.000 10.14162 ? 92  TRP A C    1 
ATOM   1186 O  O    . TRP A 1 92  ? 17.72233 23.47023 1.35213   1.000 10.65337 ? 92  TRP A O    1 
ATOM   1187 C  CB   . TRP A 1 92  ? 16.87728 25.37896 -0.82047  1.000 10.57552 ? 92  TRP A CB   1 
ATOM   1188 C  CG   . TRP A 1 92  ? 16.66406 26.00493 -2.15636  1.000 10.33486 ? 92  TRP A CG   1 
ATOM   1189 C  CD1  . TRP A 1 92  ? 16.59130 27.33012 -2.43976  1.000 10.62075 ? 92  TRP A CD1  1 
ATOM   1190 C  CD2  . TRP A 1 92  ? 16.39497 25.32517 -3.40428  1.000 10.21959 ? 92  TRP A CD2  1 
ATOM   1191 N  NE1  . TRP A 1 92  ? 16.29684 27.55512 -3.76408  1.000 11.05388 ? 92  TRP A NE1  1 
ATOM   1192 C  CE2  . TRP A 1 92  ? 16.16793 26.31938 -4.37929  1.000 11.13704 ? 92  TRP A CE2  1 
ATOM   1193 C  CE3  . TRP A 1 92  ? 16.30466 23.98475 -3.79172  1.000 11.50661 ? 92  TRP A CE3  1 
ATOM   1194 C  CZ2  . TRP A 1 92  ? 15.84790 26.00849 -5.70702  1.000 11.72670 ? 92  TRP A CZ2  1 
ATOM   1195 C  CZ3  . TRP A 1 92  ? 15.98878 23.67076 -5.10363  1.000 11.60713 ? 92  TRP A CZ3  1 
ATOM   1196 C  CH2  . TRP A 1 92  ? 15.75180 24.68396 -6.02390  1.000 12.09735 ? 92  TRP A CH2  1 
ATOM   1197 H  H    . TRP A 1 92  ? 17.92479 23.09528 -1.31910  1.000 11.91044 ? 92  TRP A H    1 
ATOM   1198 H  HA   . TRP A 1 92  ? 18.91845 25.54751 -0.72915  1.000 11.50085 ? 92  TRP A HA   1 
ATOM   1199 H  HB2  . TRP A 1 92  ? 16.25531 24.63772 -0.75253  1.000 12.69057 ? 92  TRP A HB2  1 
ATOM   1200 H  HB3  . TRP A 1 92  ? 16.66505 26.05217 -0.15515  1.000 12.69057 ? 92  TRP A HB3  1 
ATOM   1201 H  HD1  . TRP A 1 92  ? 16.72452 28.00485 -1.81374  1.000 12.74485 ? 92  TRP A HD1  1 
ATOM   1202 H  HE1  . TRP A 1 92  ? 16.20871 28.32265 -4.14189  1.000 13.26460 ? 92  TRP A HE1  1 
ATOM   1203 H  HE3  . TRP A 1 92  ? 16.45578 23.30776 -3.17226  1.000 13.80788 ? 92  TRP A HE3  1 
ATOM   1204 H  HZ2  . TRP A 1 92  ? 15.70753 26.67279 -6.34256  1.000 14.07199 ? 92  TRP A HZ2  1 
ATOM   1205 H  HZ3  . TRP A 1 92  ? 15.93535 22.78084 -5.36839  1.000 13.92850 ? 92  TRP A HZ3  1 
ATOM   1206 H  HH2  . TRP A 1 92  ? 15.51768 24.45006 -6.89303  1.000 14.51676 ? 92  TRP A HH2  1 
ATOM   1207 N  N    . SER A 1 93  ? 19.06743 25.23856 1.72713   1.000 10.37685 ? 93  SER A N    1 
ATOM   1208 C  CA   . SER A 1 93  ? 19.20741 25.05615 3.16200   1.000 10.18982 ? 93  SER A CA   1 
ATOM   1209 C  C    . SER A 1 93  ? 18.76448 26.35390 3.81020   1.000 10.95279 ? 93  SER A C    1 
ATOM   1210 O  O    . SER A 1 93  ? 19.22689 27.42248 3.40518   1.000 10.91555 ? 93  SER A O    1 
ATOM   1211 C  CB   . SER A 1 93  ? 20.68212 24.75004 3.44578   1.000 11.14993 ? 93  SER A CB   1 
ATOM   1212 O  OG   . SER A 1 93  ? 20.86315 24.53102 4.84304   1.000 12.41984 ? 93  SER A OG   1 
ATOM   1213 H  H    . SER A 1 93  ? 19.50945 25.91680 1.43695   1.000 12.45217 ? 93  SER A H    1 
ATOM   1214 H  HA   . SER A 1 93  ? 18.66293 24.33998 3.52469   1.000 12.22774 ? 93  SER A HA   1 
ATOM   1215 H  HB2  . SER A 1 93  ? 20.94381 23.95268 2.95933   1.000 13.37987 ? 93  SER A HB2  1 
ATOM   1216 H  HB3  . SER A 1 93  ? 21.22588 25.50291 3.16578   1.000 13.37987 ? 93  SER A HB3  1 
ATOM   1217 H  HG   . SER A 1 93  ? 21.56027 24.08148 4.97544   1.000 14.90376 ? 93  SER A HG   1 
ATOM   1218 N  N    . GLY A 1 94  ? 17.87384 26.30807 4.79814   1.000 11.08014 ? 94  GLY A N    1 
ATOM   1219 C  CA   . GLY A 1 94  ? 17.36077 27.56081 5.32640   1.000 11.02930 ? 94  GLY A CA   1 
ATOM   1220 C  C    . GLY A 1 94  ? 16.53657 27.38917 6.56464   1.000 11.48285 ? 94  GLY A C    1 
ATOM   1221 O  O    . GLY A 1 94  ? 16.62702 26.38293 7.28368   1.000 12.06829 ? 94  GLY A O    1 
ATOM   1222 H  H    . GLY A 1 94  ? 17.56512 25.59306 5.16290   1.000 13.29611 ? 94  GLY A H    1 
ATOM   1223 H  HA2  . GLY A 1 94  ? 18.10564 28.14474 5.53878   1.000 13.23510 ? 94  GLY A HA2  1 
ATOM   1224 H  HA3  . GLY A 1 94  ? 16.80767 27.98670 4.65291   1.000 13.23510 ? 94  GLY A HA3  1 
ATOM   1225 N  N    . GLN A 1 95  ? 15.75695 28.43185 6.84701   1.000 12.25134 ? 95  GLN A N    1 
ATOM   1226 C  CA   . GLN A 1 95  ? 14.86325 28.38700 7.98817   1.000 12.41751 ? 95  GLN A CA   1 
ATOM   1227 C  C    . GLN A 1 95  ? 13.55470 29.06697 7.63605   1.000 12.51219 ? 95  GLN A C    1 
ATOM   1228 O  O    . GLN A 1 95  ? 13.51179 30.07168 6.91082   1.000 13.46947 ? 95  GLN A O    1 
ATOM   1229 C  CB   . GLN A 1 95  ? 15.45515 28.91149 9.26162   1.000 15.53533 ? 95  GLN A CB   1 
ATOM   1230 C  CG   . GLN A 1 95  ? 15.89496 30.33095 9.23134   1.000 15.97233 ? 95  GLN A CG   1 
ATOM   1231 C  CD   . GLN A 1 95  ? 16.56496 30.71610 10.59412  1.000 15.37580 ? 95  GLN A CD   1 
ATOM   1232 O  OE1  . GLN A 1 95  ? 16.05664 30.38690 11.67301  1.000 15.02293 ? 95  GLN A OE1  1 
ATOM   1233 N  NE2  . GLN A 1 95  ? 17.65141 31.49130 10.54439  1.000 16.61876 ? 95  GLN A NE2  1 
ATOM   1234 H  H    . GLN A 1 95  ? 15.73244 29.16328 6.39534   1.000 14.70155 ? 95  GLN A H    1 
ATOM   1235 H  HA   . GLN A 1 95  ? 14.66434 27.45745 8.18120   1.000 14.90096 ? 95  GLN A HA   1 
ATOM   1236 H  HB2  . GLN A 1 95  ? 14.78914 28.83143 9.96228   1.000 18.64234 ? 95  GLN A HB2  1 
ATOM   1237 H  HB3  . GLN A 1 95  ? 16.23252 28.37392 9.47983   1.000 18.64234 ? 95  GLN A HB3  1 
ATOM   1238 H  HG2  . GLN A 1 95  ? 16.54216 30.45688 8.51988   1.000 19.16674 ? 95  GLN A HG2  1 
ATOM   1239 H  HG3  . GLN A 1 95  ? 15.12795 30.90718 9.08791   1.000 19.16674 ? 95  GLN A HG3  1 
ATOM   1240 H  HE21 . GLN A 1 95  ? 17.95516 31.75773 9.78521   1.000 19.94246 ? 95  GLN A HE21 1 
ATOM   1241 H  HE22 . GLN A 1 95  ? 18.04723 31.72403 11.27155  1.000 19.94246 ? 95  GLN A HE22 1 
ATOM   1242 N  N    . TYR A 1 96  ? 12.47641 28.45735 8.12748   1.000 13.35314 ? 96  TYR A N    1 
ATOM   1243 C  CA   . TYR A 1 96  ? 11.12762 29.01583 8.08276   1.000 12.63429 ? 96  TYR A CA   1 
ATOM   1244 C  C    . TYR A 1 96  ? 10.93525 29.91527 9.28578   1.000 14.17812 ? 96  TYR A C    1 
ATOM   1245 O  O    . TYR A 1 96  ? 11.19315 29.51796 10.43455  1.000 14.82232 ? 96  TYR A O    1 
ATOM   1246 C  CB   . TYR A 1 96  ? 10.11996 27.87755 8.07649   1.000 14.52484 ? 96  TYR A CB   1 
ATOM   1247 C  CG   . TYR A 1 96  ? 8.72391  28.24187 8.44303   1.000 14.63644 ? 96  TYR A CG   1 
ATOM   1248 C  CD1  . TYR A 1 96  ? 7.82639  28.70391 7.46884   1.000 16.27784 ? 96  TYR A CD1  1 
ATOM   1249 C  CD2  . TYR A 1 96  ? 8.26028  28.07280 9.73984   1.000 17.92957 ? 96  TYR A CD2  1 
ATOM   1250 C  CE1  . TYR A 1 96  ? 6.51687  29.02358 7.82477   1.000 18.75764 ? 96  TYR A CE1  1 
ATOM   1251 C  CE2  . TYR A 1 96  ? 6.97970  28.41649 10.07447  1.000 19.96036 ? 96  TYR A CE2  1 
ATOM   1252 C  CZ   . TYR A 1 96  ? 6.12397  28.89585 9.13766   1.000 20.36337 ? 96  TYR A CZ   1 
ATOM   1253 O  OH   . TYR A 1 96  ? 4.81800  29.20635 9.49980   1.000 25.12897 ? 96  TYR A OH   1 
ATOM   1254 H  H    . TYR A 1 96  ? 12.50210 27.68645 8.50783   1.000 16.02371 ? 96  TYR A H    1 
ATOM   1255 H  HA   . TYR A 1 96  ? 10.98861 29.55001 7.28512   1.000 15.16109 ? 96  TYR A HA   1 
ATOM   1256 H  HB2  . TYR A 1 96  ? 10.09288 27.50128 7.18285   1.000 17.42975 ? 96  TYR A HB2  1 
ATOM   1257 H  HB3  . TYR A 1 96  ? 10.41689 27.20603 8.71035   1.000 17.42975 ? 96  TYR A HB3  1 
ATOM   1258 H  HD1  . TYR A 1 96  ? 8.10470  28.79690 6.58634   1.000 19.53335 ? 96  TYR A HD1  1 
ATOM   1259 H  HD2  . TYR A 1 96  ? 8.82669  27.72187 10.38862  1.000 21.51544 ? 96  TYR A HD2  1 
ATOM   1260 H  HE1  . TYR A 1 96  ? 5.91459  29.32029 7.18125   1.000 22.50911 ? 96  TYR A HE1  1 
ATOM   1261 H  HE2  . TYR A 1 96  ? 6.69248  28.32053 10.95379  1.000 23.95238 ? 96  TYR A HE2  1 
ATOM   1262 H  HH   . TYR A 1 96  ? 4.71665  29.10165 10.32707  1.000 30.15471 ? 96  TYR A HH   1 
ATOM   1263 N  N    . VAL A 1 97  ? 10.39287 31.08315 9.00203   1.000 15.12985 ? 97  VAL A N    1 
ATOM   1264 C  CA   . VAL A 1 97  ? 10.06345 32.08637 10.00469  1.000 17.41594 ? 97  VAL A CA   1 
ATOM   1265 C  C    . VAL A 1 97  ? 8.57771  32.39425 9.84627   1.000 18.67291 ? 97  VAL A C    1 
ATOM   1266 O  O    . VAL A 1 97  ? 8.15495  32.96042 8.84101   1.000 21.03445 ? 97  VAL A O    1 
ATOM   1267 C  CB   . VAL A 1 97  ? 10.91247 33.35358 9.79782   1.000 19.99368 ? 97  VAL A CB   1 
ATOM   1268 C  CG1  . VAL A 1 97  ? 10.62749 34.36446 10.88694  1.000 24.73754 ? 97  VAL A CG1  1 
ATOM   1269 C  CG2  . VAL A 1 97  ? 12.40763 33.02293 9.71728   1.000 23.21751 ? 97  VAL A CG2  1 
ATOM   1270 H  H    . VAL A 1 97  ? 10.19654 31.33156 8.20243   1.000 18.15577 ? 97  VAL A H    1 
ATOM   1271 H  HA   . VAL A 1 97  ? 10.21294 31.74187 10.89904  1.000 20.89907 ? 97  VAL A HA   1 
ATOM   1272 H  HB   . VAL A 1 97  ? 10.66748 33.75206 8.94806   1.000 23.99236 ? 97  VAL A HB   1 
ATOM   1273 H  HG11 . VAL A 1 97  ? 11.20569 35.13341 10.76324  1.000 29.68500 ? 97  VAL A HG11 1 
ATOM   1274 H  HG12 . VAL A 1 97  ? 9.69824  34.63673 10.82980  1.000 29.68500 ? 97  VAL A HG12 1 
ATOM   1275 H  HG13 . VAL A 1 97  ? 10.80011 33.95621 11.74975  1.000 29.68500 ? 97  VAL A HG13 1 
ATOM   1276 H  HG21 . VAL A 1 97  ? 12.90800 33.84703 9.61056   1.000 27.86095 ? 97  VAL A HG21 1 
ATOM   1277 H  HG22 . VAL A 1 97  ? 12.67675 32.57610 10.53509  1.000 27.86095 ? 97  VAL A HG22 1 
ATOM   1278 H  HG23 . VAL A 1 97  ? 12.56192 32.44139 8.95642   1.000 27.86095 ? 97  VAL A HG23 1 
ATOM   1279 N  N    . GLY A 1 98  ? 7.78097  32.01511 10.82372  1.000 22.11086 ? 98  GLY A N    1 
ATOM   1280 C  CA   . GLY A 1 98  ? 6.34520  32.18894 10.74708  1.000 26.64964 ? 98  GLY A CA   1 
ATOM   1281 C  C    . GLY A 1 98  ? 5.91634  33.61220 11.04450  1.000 31.32635 ? 98  GLY A C    1 
ATOM   1282 O  O    . GLY A 1 98  ? 6.70835  34.46713 11.43250  1.000 32.58767 ? 98  GLY A O    1 
ATOM   1283 H  H    . GLY A 1 98  ? 8.05016  31.64880 11.55376  1.000 26.53298 ? 98  GLY A H    1 
ATOM   1284 H  HA2  . GLY A 1 98  ? 6.04161  31.95878 9.85503   1.000 31.97951 ? 98  GLY A HA2  1 
ATOM   1285 H  HA3  . GLY A 1 98  ? 5.91642  31.60068 11.38818  1.000 31.97951 ? 98  GLY A HA3  1 
ATOM   1286 N  N    . GLY A 1 99  ? 4.61831  33.85248 10.89086  1.000 34.90946 ? 99  GLY A N    1 
ATOM   1287 C  CA   . GLY A 1 99  ? 4.01771  35.13150 11.20517  1.000 37.25663 ? 99  GLY A CA   1 
ATOM   1288 C  C    . GLY A 1 99  ? 3.24558  35.68476 10.03163  1.000 36.76978 ? 99  GLY A C    1 
ATOM   1289 O  O    . GLY A 1 99  ? 3.11933  35.06257 8.97594   1.000 37.29382 ? 99  GLY A O    1 
ATOM   1290 H  H    . GLY A 1 99  ? 4.05576  33.27154 10.59820  1.000 41.89130 ? 99  GLY A H    1 
ATOM   1291 H  HA2  . GLY A 1 99  ? 3.41011  35.02942 11.95437  1.000 44.70791 ? 99  GLY A HA2  1 
ATOM   1292 H  HA3  . GLY A 1 99  ? 4.71139  35.76558 11.44525  1.000 44.70791 ? 99  GLY A HA3  1 
ATOM   1293 N  N    . ALA A 1 100 ? 2.73254  36.89273 10.22304  1.000 38.44859 ? 100 ALA A N    1 
ATOM   1294 C  CA   . ALA A 1 100 ? 1.85034  37.47470 9.22386   1.000 39.25628 ? 100 ALA A CA   1 
ATOM   1295 C  C    . ALA A 1 100 ? 2.55801  37.64373 7.90167   1.000 40.93535 ? 100 ALA A C    1 
ATOM   1296 O  O    . ALA A 1 100 ? 1.92395  37.61434 6.83242   1.000 44.32800 ? 100 ALA A O    1 
ATOM   1297 C  CB   . ALA A 1 100 ? 1.37276  38.81630 9.76098   1.000 40.75472 ? 100 ALA A CB   1 
ATOM   1298 H  H    . ALA A 1 100 ? 2.87672  37.38820 10.91102  1.000 46.13826 ? 100 ALA A H    1 
ATOM   1299 H  HA   . ALA A 1 100 ? 1.08364  36.90256 9.06343   1.000 47.10748 ? 100 ALA A HA   1 
ATOM   1300 H  HB1  . ALA A 1 100 ? 0.75577  39.20983 9.12431   1.000 48.90561 ? 100 ALA A HB1  1 
ATOM   1301 H  HB2  . ALA A 1 100 ? 0.92632  38.67550 10.61055  1.000 48.90561 ? 100 ALA A HB2  1 
ATOM   1302 H  HB3  . ALA A 1 100 ? 2.13891  39.39867 9.88244   1.000 48.90561 ? 100 ALA A HB3  1 
ATOM   1303 N  N    . GLN A 1 101 ? 3.86877  37.81280 7.95765   1.000 35.94887 ? 101 GLN A N    1 
ATOM   1304 C  CA   . GLN A 1 101 ? 4.68899  37.90873 6.77242   1.000 36.41701 ? 101 GLN A CA   1 
ATOM   1305 C  C    . GLN A 1 101 ? 5.61934  36.69289 6.80593   1.000 31.06877 ? 101 GLN A C    1 
ATOM   1306 O  O    . GLN A 1 101 ? 6.84044  36.84404 6.93613   1.000 31.42222 ? 101 GLN A O    1 
ATOM   1307 C  CB   . GLN A 1 101 ? 5.49907  39.20692 6.83265   1.000 42.43918 ? 101 GLN A CB   1 
ATOM   1308 C  CG   . GLN A 1 101 ? 4.66839  40.48108 7.09930   1.000 49.66707 ? 101 GLN A CG   1 
ATOM   1309 C  CD   . GLN A 1 101 ? 3.45973  40.55076 6.18525   1.000 53.87343 ? 101 GLN A CD   1 
ATOM   1310 O  OE1  . GLN A 1 101 ? 3.58651  40.39850 4.95150   1.000 55.88632 ? 101 GLN A OE1  1 
ATOM   1311 N  NE2  . GLN A 1 101 ? 2.26952  40.77688 6.77996   1.000 54.09283 ? 101 GLN A NE2  1 
ATOM   1312 H  H    . GLN A 1 101 ? 4.31498  37.87613 8.69011   1.000 43.13859 ? 101 GLN A H    1 
ATOM   1313 H  HA   . GLN A 1 101 ? 4.17295  37.92409 5.95123   1.000 43.70036 ? 101 GLN A HA   1 
ATOM   1314 H  HB2  . GLN A 1 101 ? 6.15073  39.12951 7.54696   1.000 50.92696 ? 101 GLN A HB2  1 
ATOM   1315 H  HB3  . GLN A 1 101 ? 5.95105  39.32668 5.98278   1.000 50.92696 ? 101 GLN A HB3  1 
ATOM   1316 H  HG2  . GLN A 1 101 ? 4.35764  40.47629 8.01816   1.000 59.60043 ? 101 GLN A HG2  1 
ATOM   1317 H  HG3  . GLN A 1 101 ? 5.21889  41.26355 6.93934   1.000 59.60043 ? 101 GLN A HG3  1 
ATOM   1318 H  HE21 . GLN A 1 101 ? 2.22664  40.87271 7.63352   1.000 64.91134 ? 101 GLN A HE21 1 
ATOM   1319 H  HE22 . GLN A 1 101 ? 1.55396  40.82514 6.30535   1.000 64.91134 ? 101 GLN A HE22 1 
ATOM   1320 N  N    . ALA A 1 102 ? 5.07481  35.47736 6.72890   1.000 25.97805 ? 102 ALA A N    1 
ATOM   1321 C  CA   . ALA A 1 102 ? 5.93014  34.30577 6.83748   1.000 20.79958 ? 102 ALA A CA   1 
ATOM   1322 C  C    . ALA A 1 102 ? 6.94315  34.28737 5.71710   1.000 18.74265 ? 102 ALA A C    1 
ATOM   1323 O  O    . ALA A 1 102 ? 6.67692  34.71369 4.58727   1.000 19.81942 ? 102 ALA A O    1 
ATOM   1324 C  CB   . ALA A 1 102 ? 5.08932  33.04307 6.76340   1.000 23.58870 ? 102 ALA A CB   1 
ATOM   1325 H  H    . ALA A 1 102 ? 4.23803  35.31317 6.61739   1.000 31.17361 ? 102 ALA A H    1 
ATOM   1326 H  HA   . ALA A 1 102 ? 6.39922  34.32674 7.68626   1.000 24.95944 ? 102 ALA A HA   1 
ATOM   1327 H  HB1  . ALA A 1 102 ? 5.66536  32.27241 6.88653   1.000 28.30639 ? 102 ALA A HB1  1 
ATOM   1328 H  HB2  . ALA A 1 102 ? 4.41786  33.06929 7.46293   1.000 28.30639 ? 102 ALA A HB2  1 
ATOM   1329 H  HB3  . ALA A 1 102 ? 4.66028  32.99988 5.89452   1.000 28.30639 ? 102 ALA A HB3  1 
ATOM   1330 N  N    . ARG A 1 103 ? 8.07445  33.68678 6.00725   1.000 16.33378 ? 103 ARG A N    1 
ATOM   1331 C  CA   A ARG A 1 103 ? 9.16096  33.62450 5.04649   0.503 16.78579 ? 103 ARG A CA   1 
ATOM   1332 C  CA   B ARG A 1 103 ? 9.08199  33.55504 4.97987   0.497 15.21227 ? 103 ARG A CA   1 
ATOM   1333 C  C    . ARG A 1 103 ? 9.89624  32.30213 5.19571   1.000 14.69122 ? 103 ARG A C    1 
ATOM   1334 O  O    . ARG A 1 103 ? 9.99816  31.76208 6.29689   1.000 16.90444 ? 103 ARG A O    1 
ATOM   1335 C  CB   A ARG A 1 103 ? 10.18305 34.78048 5.24976   0.503 24.31029 ? 103 ARG A CB   1 
ATOM   1336 C  CB   B ARG A 1 103 ? 10.08388 34.71634 4.96790   0.497 21.03851 ? 103 ARG A CB   1 
ATOM   1337 C  CG   A ARG A 1 103 ? 10.00302 35.66437 6.47526   0.503 30.58522 ? 103 ARG A CG   1 
ATOM   1338 C  CG   B ARG A 1 103 ? 10.73849 34.96115 6.26485   0.497 23.31498 ? 103 ARG A CG   1 
ATOM   1339 C  CD   A ARG A 1 103 ? 10.14421 37.16534 6.12329   0.503 33.24859 ? 103 ARG A CD   1 
ATOM   1340 C  CD   B ARG A 1 103 ? 11.31990 36.42020 6.36635   0.497 26.64675 ? 103 ARG A CD   1 
ATOM   1341 N  NE   A ARG A 1 103 ? 8.93531  37.65063 5.47088   0.503 36.08416 ? 103 ARG A NE   1 
ATOM   1342 N  NE   B ARG A 1 103 ? 12.21589 36.58634 7.50944   0.497 27.85780 ? 103 ARG A NE   1 
ATOM   1343 C  CZ   A ARG A 1 103 ? 8.82970  37.94429 4.18185   0.503 34.16062 ? 103 ARG A CZ   1 
ATOM   1344 C  CZ   B ARG A 1 103 ? 13.31524 37.32610 7.49670   0.497 30.97619 ? 103 ARG A CZ   1 
ATOM   1345 N  NH1  A ARG A 1 103 ? 9.89674  38.03640 3.39960   0.503 31.28412 ? 103 ARG A NH1  1 
ATOM   1346 N  NH1  B ARG A 1 103 ? 13.60722 38.12806 6.48144   0.497 35.17946 ? 103 ARG A NH1  1 
ATOM   1347 N  NH2  A ARG A 1 103 ? 7.62097  38.11998 3.66045   0.503 32.97066 ? 103 ARG A NH2  1 
ATOM   1348 N  NH2  B ARG A 1 103 ? 14.17869 37.20984 8.49235   0.497 35.18522 ? 103 ARG A NH2  1 
ATOM   1349 H  H    A ARG A 1 103 ? 8.24344  33.30330 6.75824   0.503 19.60048 ? 103 ARG A H    1 
ATOM   1350 H  H    B ARG A 1 103 ? 8.27919  33.35431 6.77350   0.497 19.60048 ? 103 ARG A H    1 
ATOM   1351 H  HA   A ARG A 1 103 ? 8.78253  33.68199 4.15521   0.503 20.14289 ? 103 ARG A HA   1 
ATOM   1352 H  HA   B ARG A 1 103 ? 8.59884  33.51104 4.13991   0.497 18.25467 ? 103 ARG A HA   1 
ATOM   1353 H  HB2  A ARG A 1 103 ? 11.06776 34.38799 5.31416   0.503 29.17229 ? 103 ARG A HB2  1 
ATOM   1354 H  HB2  B ARG A 1 103 ? 10.77848 34.52018 4.31987   0.497 25.24616 ? 103 ARG A HB2  1 
ATOM   1355 H  HB3  A ARG A 1 103 ? 10.13354 35.36162 4.47469   0.503 29.17229 ? 103 ARG A HB3  1 
ATOM   1356 H  HB3  B ARG A 1 103 ? 9.61539  35.52771 4.71673   0.497 25.24616 ? 103 ARG A HB3  1 
ATOM   1357 H  HG2  A ARG A 1 103 ? 9.11857  35.52102 6.84687   0.503 36.70221 ? 103 ARG A HG2  1 
ATOM   1358 H  HG2  B ARG A 1 103 ? 10.09041 34.84340 6.97691   0.497 27.97792 ? 103 ARG A HG2  1 
ATOM   1359 H  HG3  A ARG A 1 103 ? 10.67962 35.44141 7.13360   0.503 36.70221 ? 103 ARG A HG3  1 
ATOM   1360 H  HG3  B ARG A 1 103 ? 11.47098 34.33506 6.37605   0.497 27.97792 ? 103 ARG A HG3  1 
ATOM   1361 H  HD2  A ARG A 1 103 ? 10.28504 37.67776 6.93477   0.503 39.89826 ? 103 ARG A HD2  1 
ATOM   1362 H  HD2  B ARG A 1 103 ? 11.82086 36.61904 5.55988   0.497 31.97605 ? 103 ARG A HD2  1 
ATOM   1363 H  HD3  A ARG A 1 103 ? 10.89288 37.28859 5.51897   0.503 39.89826 ? 103 ARG A HD3  1 
ATOM   1364 H  HD3  B ARG A 1 103 ? 10.58688 37.04781 6.46479   0.497 31.97605 ? 103 ARG A HD3  1 
ATOM   1365 H  HE   A ARG A 1 103 ? 8.23553  37.75480 5.95981   0.503 43.30094 ? 103 ARG A HE   1 
ATOM   1366 H  HE   B ARG A 1 103 ? 12.01622 36.17669 8.23877   0.497 33.42930 ? 103 ARG A HE   1 
ATOM   1367 H  HH11 A ARG A 1 103 ? 10.68155 37.90444 3.72556   0.503 37.54089 ? 103 ARG A HH11 1 
ATOM   1368 H  HH11 B ARG A 1 103 ? 13.07637 38.17828 5.80670   0.497 42.21529 ? 103 ARG A HH11 1 
ATOM   1369 H  HH12 A ARG A 1 103 ? 9.80383  38.22809 2.56640   0.503 37.54089 ? 103 ARG A HH12 1 
ATOM   1370 H  HH12 B ARG A 1 103 ? 14.32739 38.59783 6.49788   0.497 42.21529 ? 103 ARG A HH12 1 
ATOM   1371 H  HH21 A ARG A 1 103 ? 6.92309  38.04289 4.15707   0.503 39.56473 ? 103 ARG A HH21 1 
ATOM   1372 H  HH21 B ARG A 1 103 ? 14.02239 36.66025 9.13510   0.497 42.22220 ? 103 ARG A HH21 1 
ATOM   1373 H  HH22 A ARG A 1 103 ? 7.53612  38.31084 2.82620   0.503 39.56473 ? 103 ARG A HH22 1 
ATOM   1374 H  HH22 B ARG A 1 103 ? 14.89626 37.68384 8.49679   0.497 42.22220 ? 103 ARG A HH22 1 
ATOM   1375 N  N    . ILE A 1 104 ? 10.48239 31.84130 4.10097   1.000 13.78261 ? 104 ILE A N    1 
ATOM   1376 C  CA   . ILE A 1 104 ? 11.51993 30.81026 4.15383   1.000 13.47047 ? 104 ILE A CA   1 
ATOM   1377 C  C    . ILE A 1 104 ? 12.78054 31.44903 3.56204   1.000 13.28334 ? 104 ILE A C    1 
ATOM   1378 O  O    . ILE A 1 104 ? 12.82045 31.78995 2.36545   1.000 14.26791 ? 104 ILE A O    1 
ATOM   1379 C  CB   . ILE A 1 104 ? 11.14618 29.50836 3.43603   1.000 13.83344 ? 104 ILE A CB   1 
ATOM   1380 C  CG1  . ILE A 1 104 ? 9.88757  28.88931 4.02163   1.000 15.24216 ? 104 ILE A CG1  1 
ATOM   1381 C  CG2  . ILE A 1 104 ? 12.31354 28.53349 3.53153   1.000 15.28349 ? 104 ILE A CG2  1 
ATOM   1382 C  CD1  . ILE A 1 104 ? 9.32545  27.72884 3.20892   1.000 17.04343 ? 104 ILE A CD1  1 
ATOM   1383 H  H    . ILE A 1 104 ? 10.29692 32.11062 3.30557   1.000 16.53908 ? 104 ILE A H    1 
ATOM   1384 H  HA   . ILE A 1 104 ? 11.68228 30.56790 5.07893   1.000 16.16452 ? 104 ILE A HA   1 
ATOM   1385 H  HB   . ILE A 1 104 ? 10.96107 29.71219 2.50593   1.000 16.60007 ? 104 ILE A HB   1 
ATOM   1386 H  HG12 . ILE A 1 104 ? 10.09031 28.55557 4.90956   1.000 18.29054 ? 104 ILE A HG12 1 
ATOM   1387 H  HG13 . ILE A 1 104 ? 9.20083  29.57245 4.07278   1.000 18.29054 ? 104 ILE A HG13 1 
ATOM   1388 H  HG21 . ILE A 1 104 ? 12.10274 27.73723 3.01925   1.000 18.34013 ? 104 ILE A HG21 1 
ATOM   1389 H  HG22 . ILE A 1 104 ? 13.10885 28.95700 3.17231   1.000 18.34013 ? 104 ILE A HG22 1 
ATOM   1390 H  HG23 . ILE A 1 104 ? 12.45479 28.30018 4.46239   1.000 18.34013 ? 104 ILE A HG23 1 
ATOM   1391 H  HD11 . ILE A 1 104 ? 8.48051  27.45185 3.59656   1.000 20.45206 ? 104 ILE A HD11 1 
ATOM   1392 H  HD12 . ILE A 1 104 ? 9.18971  28.02065 2.29386   1.000 20.45206 ? 104 ILE A HD12 1 
ATOM   1393 H  HD13 . ILE A 1 104 ? 9.95672  26.99270 3.23116   1.000 20.45206 ? 104 ILE A HD13 1 
ATOM   1394 N  N    . ASN A 1 105 ? 13.80507 31.63451 4.40015   1.000 12.60513 ? 105 ASN A N    1 
ATOM   1395 C  CA   . ASN A 1 105 ? 15.03157 32.27695 3.97210   1.000 11.56168 ? 105 ASN A CA   1 
ATOM   1396 C  C    . ASN A 1 105 ? 16.07224 31.19689 3.73280   1.000 11.77817 ? 105 ASN A C    1 
ATOM   1397 O  O    . ASN A 1 105 ? 16.32420 30.39442 4.63325   1.000 12.75610 ? 105 ASN A O    1 
ATOM   1398 C  CB   . ASN A 1 105 ? 15.52680 33.20962 5.06969   1.000 13.58977 ? 105 ASN A CB   1 
ATOM   1399 C  CG   . ASN A 1 105 ? 14.58931 34.34362 5.27447   1.000 17.99745 ? 105 ASN A CG   1 
ATOM   1400 O  OD1  . ASN A 1 105 ? 14.09037 34.94158 4.31328   1.000 22.10706 ? 105 ASN A OD1  1 
ATOM   1401 N  ND2  . ASN A 1 105 ? 14.31508 34.64569 6.52550   1.000 22.21719 ? 105 ASN A ND2  1 
ATOM   1402 H  H    . ASN A 1 105 ? 13.80464 31.39200 5.22525   1.000 15.12610 ? 105 ASN A H    1 
ATOM   1403 H  HA   . ASN A 1 105 ? 14.88434 32.77647 3.15375   1.000 13.87396 ? 105 ASN A HA   1 
ATOM   1404 H  HB2  . ASN A 1 105 ? 15.59893 32.71735 5.90238   1.000 16.30767 ? 105 ASN A HB2  1 
ATOM   1405 H  HB3  . ASN A 1 105 ? 16.39270 33.56891 4.82063   1.000 16.30767 ? 105 ASN A HB3  1 
ATOM   1406 H  HD21 . ASN A 1 105 ? 14.67266 34.19528 7.16492   1.000 26.66058 ? 105 ASN A HD21 1 
ATOM   1407 H  HD22 . ASN A 1 105 ? 13.77826 35.29351 6.70369   1.000 26.66058 ? 105 ASN A HD22 1 
ATOM   1408 N  N    . THR A 1 106 ? 16.63402 31.15995 2.52914   1.000 10.84341 ? 106 THR A N    1 
ATOM   1409 C  CA   . THR A 1 106 ? 17.53454 30.08086 2.14352   1.000 10.19963 ? 106 THR A CA   1 
ATOM   1410 C  C    . THR A 1 106 ? 18.83055 30.57000 1.53924   1.000 10.69419 ? 106 THR A C    1 
ATOM   1411 O  O    . THR A 1 106 ? 18.93107 31.67172 0.96225   1.000 11.15638 ? 106 THR A O    1 
ATOM   1412 C  CB   . THR A 1 106 ? 16.88269 29.14036 1.11317   1.000 10.98952 ? 106 THR A CB   1 
ATOM   1413 O  OG1  . THR A 1 106 ? 16.78270 29.78774 -0.15817  1.000 11.65285 ? 106 THR A OG1  1 
ATOM   1414 C  CG2  . THR A 1 106 ? 15.53249 28.61643 1.56623   1.000 12.15882 ? 106 THR A CG2  1 
ATOM   1415 H  H    . THR A 1 106 ? 16.50813 31.75078 1.91703   1.000 13.01204 ? 106 THR A H    1 
ATOM   1416 H  HA   . THR A 1 106 ? 17.75226 29.61321 2.96498   1.000 12.23951 ? 106 THR A HA   1 
ATOM   1417 H  HB   . THR A 1 106 ? 17.45030 28.35948 1.01852   1.000 13.18737 ? 106 THR A HB   1 
ATOM   1418 H  HG1  . THR A 1 106 ? 16.29721 29.33560 -0.67341  1.000 13.98337 ? 106 THR A HG1  1 
ATOM   1419 H  HG21 . THR A 1 106 ? 15.17026 28.01232 0.89934   1.000 14.59053 ? 106 THR A HG21 1 
ATOM   1420 H  HG22 . THR A 1 106 ? 15.62643 28.13914 2.40544   1.000 14.59053 ? 106 THR A HG22 1 
ATOM   1421 H  HG23 . THR A 1 106 ? 14.91523 29.35420 1.69107   1.000 14.59053 ? 106 THR A HG23 1 
ATOM   1422 N  N    . GLN A 1 107 ? 19.82586 29.67784 1.59919   1.000 9.72084  ? 107 GLN A N    1 
ATOM   1423 C  CA   . GLN A 1 107 ? 20.98261 29.70792 0.72586   1.000 10.28453 ? 107 GLN A CA   1 
ATOM   1424 C  C    . GLN A 1 107 ? 20.96230 28.40395 -0.05145  1.000 9.70771  ? 107 GLN A C    1 
ATOM   1425 O  O    . GLN A 1 107 ? 20.38244 27.42457 0.40867   1.000 11.22029 ? 107 GLN A O    1 
ATOM   1426 C  CB   . GLN A 1 107 ? 22.25196 29.90628 1.55604   1.000 13.14775 ? 107 GLN A CB   1 
ATOM   1427 C  CG   . GLN A 1 107 ? 22.19024 31.37472 2.19571   1.000 15.83682 ? 107 GLN A CG   1 
ATOM   1428 C  CD   . GLN A 1 107 ? 23.43866 31.79815 2.87914   1.000 15.48387 ? 107 GLN A CD   1 
ATOM   1429 O  OE1  . GLN A 1 107 ? 24.36597 32.30155 2.33167   1.000 18.47100 ? 107 GLN A OE1  1 
ATOM   1430 N  NE2  . GLN A 1 107 ? 23.51912 31.43687 4.19662   1.000 14.31563 ? 107 GLN A NE2  1 
ATOM   1431 H  H    . GLN A 1 107 ? 19.84553 29.02653 2.16044   1.000 11.66495 ? 107 GLN A H    1 
ATOM   1432 H  HA   . GLN A 1 107 ? 20.97678 30.43406 0.08276   1.000 12.34139 ? 107 GLN A HA   1 
ATOM   1433 H  HB2  . GLN A 1 107 ? 22.29386 29.24744 2.26673   1.000 15.77725 ? 107 GLN A HB2  1 
ATOM   1434 H  HB3  . GLN A 1 107 ? 23.03677 29.83460 0.99051   1.000 15.77725 ? 107 GLN A HB3  1 
ATOM   1435 H  HG2  . GLN A 1 107 ? 22.01231 32.01379 1.48802   1.000 19.00413 ? 107 GLN A HG2  1 
ATOM   1436 H  HG3  . GLN A 1 107 ? 21.47527 31.39757 2.85083   1.000 19.00413 ? 107 GLN A HG3  1 
ATOM   1437 H  HE21 . GLN A 1 107 ? 22.87549 30.99938 4.56261   1.000 17.17871 ? 107 GLN A HE21 1 
ATOM   1438 H  HE22 . GLN A 1 107 ? 24.21331 31.64732 4.65858   1.000 17.17871 ? 107 GLN A HE22 1 
ATOM   1439 N  N    . TRP A 1 108 ? 21.56327 28.39083 -1.23339  1.000 9.57376  ? 108 TRP A N    1 
ATOM   1440 C  CA   . TRP A 1 108 ? 21.48565 27.22190 -2.09039  1.000 9.67511  ? 108 TRP A CA   1 
ATOM   1441 C  C    . TRP A 1 108 ? 22.80529 26.94932 -2.77207  1.000 9.59184  ? 108 TRP A C    1 
ATOM   1442 O  O    . TRP A 1 108 ? 23.64073 27.83954 -2.96471  1.000 9.50183  ? 108 TRP A O    1 
ATOM   1443 C  CB   . TRP A 1 108 ? 20.34734 27.31713 -3.12395  1.000 9.94595  ? 108 TRP A CB   1 
ATOM   1444 C  CG   . TRP A 1 108 ? 20.29114 28.52335 -3.99983  1.000 9.55901  ? 108 TRP A CG   1 
ATOM   1445 C  CD1  . TRP A 1 108 ? 19.44150 29.57850 -3.86137  1.000 10.60851 ? 108 TRP A CD1  1 
ATOM   1446 C  CD2  . TRP A 1 108 ? 21.10332 28.81783 -5.14743  1.000 9.76658  ? 108 TRP A CD2  1 
ATOM   1447 N  NE1  . TRP A 1 108 ? 19.64618 30.46723 -4.86024  1.000 10.46082 ? 108 TRP A NE1  1 
ATOM   1448 C  CE2  . TRP A 1 108 ? 20.64731 30.04280 -5.67334  1.000 10.26973 ? 108 TRP A CE2  1 
ATOM   1449 C  CE3  . TRP A 1 108 ? 22.12759 28.13219 -5.81455  1.000 10.51035 ? 108 TRP A CE3  1 
ATOM   1450 C  CZ2  . TRP A 1 108 ? 21.20227 30.62648 -6.80948  1.000 10.86792 ? 108 TRP A CZ2  1 
ATOM   1451 C  CZ3  . TRP A 1 108 ? 22.68127 28.71830 -6.94667  1.000 10.78283 ? 108 TRP A CZ3  1 
ATOM   1452 C  CH2  . TRP A 1 108 ? 22.19861 29.94123 -7.45244  1.000 11.37688 ? 108 TRP A CH2  1 
ATOM   1453 H  H    . TRP A 1 108 ? 22.01899 29.04412 -1.55761  1.000 11.48846 ? 108 TRP A H    1 
ATOM   1454 H  HA   . TRP A 1 108 ? 21.30669 26.45811 -1.51987  1.000 11.61008 ? 108 TRP A HA   1 
ATOM   1455 H  HB2  . TRP A 1 108 ? 20.41931 26.55002 -3.71324  1.000 11.93509 ? 108 TRP A HB2  1 
ATOM   1456 H  HB3  . TRP A 1 108 ? 19.50693 27.28644 -2.64055  1.000 11.93509 ? 108 TRP A HB3  1 
ATOM   1457 H  HD1  . TRP A 1 108 ? 18.81415 29.67381 -3.18148  1.000 12.73016 ? 108 TRP A HD1  1 
ATOM   1458 H  HE1  . TRP A 1 108 ? 19.20471 31.19773 -4.96544  1.000 12.55293 ? 108 TRP A HE1  1 
ATOM   1459 H  HE3  . TRP A 1 108 ? 22.42863 27.30738 -5.50800  1.000 12.61237 ? 108 TRP A HE3  1 
ATOM   1460 H  HZ2  . TRP A 1 108 ? 20.90696 31.45174 -7.12035  1.000 13.04145 ? 108 TRP A HZ2  1 
ATOM   1461 H  HZ3  . TRP A 1 108 ? 23.38612 28.29362 -7.37995  1.000 12.93934 ? 108 TRP A HZ3  1 
ATOM   1462 H  HH2  . TRP A 1 108 ? 22.56206 30.28857 -8.23485  1.000 13.65220 ? 108 TRP A HH2  1 
ATOM   1463 N  N    . LEU A 1 109 ? 23.00044 25.68556 -3.14841  1.000 9.76513  ? 109 LEU A N    1 
ATOM   1464 C  CA   . LEU A 1 109 ? 24.14653 25.18527 -3.89244  1.000 9.49505  ? 109 LEU A CA   1 
ATOM   1465 C  C    . LEU A 1 109 ? 23.62358 24.42941 -5.09532  1.000 9.39647  ? 109 LEU A C    1 
ATOM   1466 O  O    . LEU A 1 109 ? 22.86104 23.44719 -4.94983  1.000 10.72998 ? 109 LEU A O    1 
ATOM   1467 C  CB   . LEU A 1 109 ? 24.97519 24.23674 -3.06821  1.000 9.92222  ? 109 LEU A CB   1 
ATOM   1468 C  CG   . LEU A 1 109 ? 25.66318 24.74881 -1.83060  1.000 10.24567 ? 109 LEU A CG   1 
ATOM   1469 C  CD1  . LEU A 1 109 ? 26.26879 23.61532 -1.00488  1.000 12.07036 ? 109 LEU A CD1  1 
ATOM   1470 C  CD2  . LEU A 1 109 ? 26.72256 25.72632 -2.17470  1.000 11.97285 ? 109 LEU A CD2  1 
ATOM   1471 H  H    . LEU A 1 109 ? 22.44066 25.05761 -2.96978  1.000 11.71810 ? 109 LEU A H    1 
ATOM   1472 H  HA   . LEU A 1 109 ? 24.69488 25.93682 -4.16699  1.000 11.39400 ? 109 LEU A HA   1 
ATOM   1473 H  HB2  . LEU A 1 109 ? 24.39145 23.51805 -2.77901  1.000 11.90661 ? 109 LEU A HB2  1 
ATOM   1474 H  HB3  . LEU A 1 109 ? 25.67292 23.88620 -3.64371  1.000 11.90661 ? 109 LEU A HB3  1 
ATOM   1475 H  HG   . LEU A 1 109 ? 24.98982 25.19028 -1.28968  1.000 12.29475 ? 109 LEU A HG   1 
ATOM   1476 H  HD11 . LEU A 1 109 ? 26.69757 23.99065 -0.21991  1.000 14.48438 ? 109 LEU A HD11 1 
ATOM   1477 H  HD12 . LEU A 1 109 ? 25.56206 23.00736 -0.73689  1.000 14.48438 ? 109 LEU A HD12 1 
ATOM   1478 H  HD13 . LEU A 1 109 ? 26.92235 23.14493 -1.54571  1.000 14.48438 ? 109 LEU A HD13 1 
ATOM   1479 H  HD21 . LEU A 1 109 ? 27.06357 26.12307 -1.35788  1.000 14.36736 ? 109 LEU A HD21 1 
ATOM   1480 H  HD22 . LEU A 1 109 ? 27.43706 25.26615 -2.64229  1.000 14.36736 ? 109 LEU A HD22 1 
ATOM   1481 H  HD23 . LEU A 1 109 ? 26.34430 26.41465 -2.74393  1.000 14.36736 ? 109 LEU A HD23 1 
ATOM   1482 N  N    . LEU A 1 110 ? 24.05190 24.83832 -6.26904  1.000 9.71830  ? 110 LEU A N    1 
ATOM   1483 C  CA   A LEU A 1 110 ? 23.64477 24.23498 -7.55151  0.603 9.96165  ? 110 LEU A CA   1 
ATOM   1484 C  CA   B LEU A 1 110 ? 23.64710 24.21375 -7.53232  0.397 9.82012  ? 110 LEU A CA   1 
ATOM   1485 C  C    . LEU A 1 110 ? 24.88171 23.55974 -8.12776  1.000 10.50577 ? 110 LEU A C    1 
ATOM   1486 O  O    . LEU A 1 110 ? 25.78955 24.23503 -8.62739  1.000 10.83599 ? 110 LEU A O    1 
ATOM   1487 C  CB   A LEU A 1 110 ? 23.11454 25.32060 -8.46474  0.603 12.33192 ? 110 LEU A CB   1 
ATOM   1488 C  CB   B LEU A 1 110 ? 23.04991 25.22551 -8.48910  0.397 9.22823  ? 110 LEU A CB   1 
ATOM   1489 C  CG   A LEU A 1 110 ? 22.93022 25.08911 -9.95215  0.603 10.87742 ? 110 LEU A CG   1 
ATOM   1490 C  CG   B LEU A 1 110 ? 22.51816 24.66204 -9.80898  0.397 11.25709 ? 110 LEU A CG   1 
ATOM   1491 C  CD1  A LEU A 1 110 ? 22.20506 23.76778 -10.21295 0.603 11.75586 ? 110 LEU A CD1  1 
ATOM   1492 C  CD1  B LEU A 1 110 ? 21.57450 25.66856 -10.48506 0.397 12.90563 ? 110 LEU A CD1  1 
ATOM   1493 C  CD2  A LEU A 1 110 ? 22.15167 26.26655 -10.50066 0.603 11.39508 ? 110 LEU A CD2  1 
ATOM   1494 C  CD2  B LEU A 1 110 ? 23.62191 24.22935 -10.77918 0.397 13.90914 ? 110 LEU A CD2  1 
ATOM   1495 H  H    A LEU A 1 110 ? 24.60314 25.49087 -6.36861  0.603 11.66191 ? 110 LEU A H    1 
ATOM   1496 H  H    B LEU A 1 110 ? 24.59557 25.49631 -6.37419  0.397 11.66191 ? 110 LEU A H    1 
ATOM   1497 H  HA   A LEU A 1 110 ? 22.95331 23.56473 -7.43515  0.603 11.95393 ? 110 LEU A HA   1 
ATOM   1498 H  HA   B LEU A 1 110 ? 22.97285 23.53774 -7.36114  0.397 11.78409 ? 110 LEU A HA   1 
ATOM   1499 H  HB2  A LEU A 1 110 ? 22.23941 25.56774 -8.12714  0.603 14.79825 ? 110 LEU A HB2  1 
ATOM   1500 H  HB2  B LEU A 1 110 ? 22.30796 25.66315 -8.04315  0.397 11.07382 ? 110 LEU A HB2  1 
ATOM   1501 H  HB3  A LEU A 1 110 ? 23.72346 26.07189 -8.38950  0.603 14.79825 ? 110 LEU A HB3  1 
ATOM   1502 H  HB3  B LEU A 1 110 ? 23.73514 25.87591 -8.70896  0.397 11.07382 ? 110 LEU A HB3  1 
ATOM   1503 H  HG   A LEU A 1 110 ? 23.78547 25.02203 -10.40486 0.603 13.05285 ? 110 LEU A HG   1 
ATOM   1504 H  HG   B LEU A 1 110 ? 22.02357 23.85677 -9.59033  0.397 13.50846 ? 110 LEU A HG   1 
ATOM   1505 H  HD11 A LEU A 1 110 ? 22.09462 23.65162 -11.16961 0.603 14.10698 ? 110 LEU A HD11 1 
ATOM   1506 H  HD11 B LEU A 1 110 ? 21.26283 25.29480 -11.32414 0.397 15.48670 ? 110 LEU A HD11 1 
ATOM   1507 H  HD12 A LEU A 1 110 ? 22.73423 23.04020 -9.85031  0.603 14.10698 ? 110 LEU A HD12 1 
ATOM   1508 H  HD12 B LEU A 1 110 ? 20.82093 25.83822 -9.89833  0.397 15.48670 ? 110 LEU A HD12 1 
ATOM   1509 H  HD13 A LEU A 1 110 ? 21.33719 23.79312 -9.78044  0.603 14.10698 ? 110 LEU A HD13 1 
ATOM   1510 H  HD13 B LEU A 1 110 ? 22.05787 26.49330 -10.64958 0.397 15.48670 ? 110 LEU A HD13 1 
ATOM   1511 H  HD21 A LEU A 1 110 ? 21.97170 26.11532 -11.44174 0.603 13.67404 ? 110 LEU A HD21 1 
ATOM   1512 H  HD21 B LEU A 1 110 ? 23.24938 24.16380 -11.67239 0.397 16.69092 ? 110 LEU A HD21 1 
ATOM   1513 H  HD22 A LEU A 1 110 ? 21.31703 26.34793 -10.01317 0.603 13.67404 ? 110 LEU A HD22 1 
ATOM   1514 H  HD22 B LEU A 1 110 ? 24.33201 24.88999 -10.76461 0.397 16.69092 ? 110 LEU A HD22 1 
ATOM   1515 H  HD23 A LEU A 1 110 ? 22.67924 27.07301 -10.39020 0.603 13.67404 ? 110 LEU A HD23 1 
ATOM   1516 H  HD23 B LEU A 1 110 ? 23.96694 23.36667 -10.50055 0.397 16.69092 ? 110 LEU A HD23 1 
ATOM   1517 N  N    . THR A 1 111 ? 24.93758 22.23144 -8.08300  1.000 10.54264 ? 111 THR A N    1 
ATOM   1518 C  CA   . THR A 1 111 ? 26.05208 21.48653 -8.63707  1.000 10.17347 ? 111 THR A CA   1 
ATOM   1519 C  C    . THR A 1 111 ? 25.66023 20.88726 -9.96070  1.000 10.82921 ? 111 THR A C    1 
ATOM   1520 O  O    . THR A 1 111 ? 24.62827 20.21647 -10.06825 1.000 11.50404 ? 111 THR A O    1 
ATOM   1521 C  CB   . THR A 1 111 ? 26.54087 20.37465 -7.68795  1.000 11.66782 ? 111 THR A CB   1 
ATOM   1522 O  OG1  . THR A 1 111 ? 26.85036 20.92657 -6.41440  1.000 11.64612 ? 111 THR A OG1  1 
ATOM   1523 C  CG2  . THR A 1 111 ? 27.81280 19.75996 -8.23147  1.000 12.51310 ? 111 THR A CG2  1 
ATOM   1524 H  H    . THR A 1 111 ? 24.32964 21.73599 -7.73009  1.000 12.65111 ? 111 THR A H    1 
ATOM   1525 H  HA   . THR A 1 111 ? 26.78781 22.10350 -8.77473  1.000 12.20811 ? 111 THR A HA   1 
ATOM   1526 H  HB   . THR A 1 111 ? 25.84786 19.70102 -7.60511  1.000 14.00133 ? 111 THR A HB   1 
ATOM   1527 H  HG1  . THR A 1 111 ? 27.31302 20.38369 -5.97076  1.000 13.97529 ? 111 THR A HG1  1 
ATOM   1528 H  HG21 . THR A 1 111 ? 28.21489 19.18374 -7.56274  1.000 15.01567 ? 111 THR A HG21 1 
ATOM   1529 H  HG22 . THR A 1 111 ? 27.61555 19.23427 -9.02245  1.000 15.01567 ? 111 THR A HG22 1 
ATOM   1530 H  HG23 . THR A 1 111 ? 28.44431 20.45767 -8.46661  1.000 15.01567 ? 111 THR A HG23 1 
ATOM   1531 N  N    . SER A 1 112 ? 26.50619 21.09404 -10.96592 1.000 11.02271 ? 112 SER A N    1 
ATOM   1532 C  CA   . SER A 1 112 ? 26.36476 20.45011 -12.27020 1.000 11.91220 ? 112 SER A CA   1 
ATOM   1533 C  C    . SER A 1 112 ? 27.32506 19.27607 -12.39270 1.000 12.91299 ? 112 SER A C    1 
ATOM   1534 O  O    . SER A 1 112 ? 28.43751 19.31142 -11.85944 1.000 15.03169 ? 112 SER A O    1 
ATOM   1535 C  CB   . SER A 1 112 ? 26.66664 21.45197 -13.35528 1.000 14.46680 ? 112 SER A CB   1 
ATOM   1536 O  OG   . SER A 1 112 ? 25.70869 22.47627 -13.39180 1.000 16.00212 ? 112 SER A OG   1 
ATOM   1537 H  H    . SER A 1 112 ? 27.18764 21.61630 -10.91621 1.000 13.22719 ? 112 SER A H    1 
ATOM   1538 H  HA   . SER A 1 112 ? 25.46190 20.11214 -12.37752 1.000 14.29458 ? 112 SER A HA   1 
ATOM   1539 H  HB2  . SER A 1 112 ? 27.53759 21.84393 -13.18582 1.000 17.36010 ? 112 SER A HB2  1 
ATOM   1540 H  HB3  . SER A 1 112 ? 26.66921 20.99524 -14.21102 1.000 17.36010 ? 112 SER A HB3  1 
ATOM   1541 H  HG   . SER A 1 112 ? 25.81245 22.99020 -12.73553 1.000 19.20249 ? 112 SER A HG   1 
ATOM   1542 N  N    . GLY A 1 113 ? 26.88486 18.23867 -13.09998 1.000 13.26343 ? 113 GLY A N    1 
ATOM   1543 C  CA   . GLY A 1 113 ? 27.81284 17.18375 -13.44290 1.000 13.57171 ? 113 GLY A CA   1 
ATOM   1544 C  C    . GLY A 1 113 ? 28.84611 17.73348 -14.42195 1.000 15.39687 ? 113 GLY A C    1 
ATOM   1545 O  O    . GLY A 1 113 ? 28.50257 18.35552 -15.43742 1.000 18.53904 ? 113 GLY A O    1 
ATOM   1546 H  H    . GLY A 1 113 ? 26.07939 18.13077 -13.38137 1.000 15.91606 ? 113 GLY A H    1 
ATOM   1547 H  HA2  . GLY A 1 113 ? 28.26501 16.86353 -12.64672 1.000 16.28600 ? 113 GLY A HA2  1 
ATOM   1548 H  HA3  . GLY A 1 113 ? 27.34113 16.44430 -13.85716 1.000 16.28600 ? 113 GLY A HA3  1 
ATOM   1549 N  N    . THR A 1 114 ? 30.11318 17.48744 -14.13747 1.000 14.35602 ? 114 THR A N    1 
ATOM   1550 C  CA   . THR A 1 114 ? 31.20610 18.02386 -14.93148 1.000 15.22039 ? 114 THR A CA   1 
ATOM   1551 C  C    . THR A 1 114 ? 32.23605 16.92300 -15.15015 1.000 16.10179 ? 114 THR A C    1 
ATOM   1552 O  O    . THR A 1 114 ? 32.28374 15.93086 -14.42403 1.000 16.64366 ? 114 THR A O    1 
ATOM   1553 C  CB   . THR A 1 114 ? 31.92433 19.20443 -14.26723 1.000 15.25950 ? 114 THR A CB   1 
ATOM   1554 O  OG1  . THR A 1 114 ? 32.66221 18.75860 -13.10854 1.000 15.42392 ? 114 THR A OG1  1 
ATOM   1555 C  CG2  . THR A 1 114 ? 30.98889 20.29674 -13.86790 1.000 16.73650 ? 114 THR A CG2  1 
ATOM   1556 H  H    . THR A 1 114 ? 30.37202 17.00261 -13.47600 1.000 17.22717 ? 114 THR A H    1 
ATOM   1557 H  HA   . THR A 1 114 ? 30.82628 18.32310 -15.77237 1.000 18.26441 ? 114 THR A HA   1 
ATOM   1558 H  HB   . THR A 1 114 ? 32.53677 19.57702 -14.92068 1.000 18.31134 ? 114 THR A HB   1 
ATOM   1559 H  HG1  . THR A 1 114 ? 33.35229 18.34452 -13.34923 1.000 18.50865 ? 114 THR A HG1  1 
ATOM   1560 H  HG21 . THR A 1 114 ? 31.49093 21.08477 -13.60739 1.000 20.08375 ? 114 THR A HG21 1 
ATOM   1561 H  HG22 . THR A 1 114 ? 30.40849 20.52465 -14.61094 1.000 20.08375 ? 114 THR A HG22 1 
ATOM   1562 H  HG23 . THR A 1 114 ? 30.44345 20.00920 -13.11910 1.000 20.08375 ? 114 THR A HG23 1 
ATOM   1563 N  N    . THR A 1 115 ? 33.14952 17.17342 -16.07132 1.000 16.54565 ? 115 THR A N    1 
ATOM   1564 C  CA   . THR A 1 115 ? 34.34623 16.35781 -16.11171 1.000 18.23678 ? 115 THR A CA   1 
ATOM   1565 C  C    . THR A 1 115 ? 35.22795 16.71085 -14.90475 1.000 17.86483 ? 115 THR A C    1 
ATOM   1566 O  O    . THR A 1 115 ? 35.05160 17.72793 -14.23974 1.000 17.35695 ? 115 THR A O    1 
ATOM   1567 C  CB   . THR A 1 115 ? 35.15886 16.60948 -17.37998 1.000 22.74052 ? 115 THR A CB   1 
ATOM   1568 O  OG1  . THR A 1 115 ? 35.55112 17.97735 -17.32842 1.000 24.72230 ? 115 THR A OG1  1 
ATOM   1569 C  CG2  . THR A 1 115 ? 34.33857 16.34959 -18.62942 1.000 26.34172 ? 115 THR A CG2  1 
ATOM   1570 H  H    . THR A 1 115 ? 33.10116 17.79195 -16.66687 1.000 19.85473 ? 115 THR A H    1 
ATOM   1571 H  HA   . THR A 1 115 ? 34.08607 15.42348 -16.09617 1.000 21.88409 ? 115 THR A HA   1 
ATOM   1572 H  HB   . THR A 1 115 ? 35.92490 16.01687 -17.43372 1.000 27.28857 ? 115 THR A HB   1 
ATOM   1573 H  HG1  . THR A 1 115 ? 35.99474 18.17504 -18.01379 1.000 29.66671 ? 115 THR A HG1  1 
ATOM   1574 H  HG21 . THR A 1 115 ? 34.89111 16.46290 -19.41857 1.000 31.61001 ? 115 THR A HG21 1 
ATOM   1575 H  HG22 . THR A 1 115 ? 33.99112 15.44405 -18.61578 1.000 31.61001 ? 115 THR A HG22 1 
ATOM   1576 H  HG23 . THR A 1 115 ? 33.59533 16.97131 -18.67362 1.000 31.61001 ? 115 THR A HG23 1 
ATOM   1577 N  N    . GLU A 1 116 ? 36.22279 15.86996 -14.63617 1.000 20.31377 ? 116 GLU A N    1 
ATOM   1578 C  CA   . GLU A 1 116 ? 37.13242 16.15853 -13.53536 1.000 22.08115 ? 116 GLU A CA   1 
ATOM   1579 C  C    . GLU A 1 116 ? 37.87970 17.45779 -13.75587 1.000 20.44264 ? 116 GLU A C    1 
ATOM   1580 O  O    . GLU A 1 116 ? 38.08160 18.22390 -12.81562 1.000 21.00625 ? 116 GLU A O    1 
ATOM   1581 C  CB   . GLU A 1 116 ? 38.12666 15.01904 -13.39482 1.000 28.02066 ? 116 GLU A CB   1 
ATOM   1582 C  CG   . GLU A 1 116 ? 37.48681 13.91151 -12.59526 1.000 35.47133 ? 116 GLU A CG   1 
ATOM   1583 C  CD   . GLU A 1 116 ? 37.04933 14.43330 -11.20193 1.000 42.53261 ? 116 GLU A CD   1 
ATOM   1584 O  OE1  . GLU A 1 116 ? 35.81722 14.57734 -10.91331 1.000 45.25513 ? 116 GLU A OE1  1 
ATOM   1585 O  OE2  . GLU A 1 116 ? 37.93701 14.74407 -10.36521 1.000 46.69963 ? 116 GLU A OE2  1 
ATOM   1586 H  H    . GLU A 1 116 ? 36.38858 15.14352 -15.06560 1.000 24.37647 ? 116 GLU A H    1 
ATOM   1587 H  HA   . GLU A 1 116 ? 36.61637 16.23981 -12.71805 1.000 26.49733 ? 116 GLU A HA   1 
ATOM   1588 H  HB2  . GLU A 1 116 ? 38.36656 14.67941 -14.27118 1.000 33.62473 ? 116 GLU A HB2  1 
ATOM   1589 H  HB3  . GLU A 1 116 ? 38.92011 15.32780 -12.93006 1.000 33.62473 ? 116 GLU A HB3  1 
ATOM   1590 H  HG2  . GLU A 1 116 ? 36.70304 13.58367 -13.06337 1.000 42.56554 ? 116 GLU A HG2  1 
ATOM   1591 H  HG3  . GLU A 1 116 ? 38.12406 13.19098 -12.47014 1.000 42.56554 ? 116 GLU A HG3  1 
ATOM   1592 N  N    . ALA A 1 117 ? 38.25728 17.74843 -14.99784 1.000 22.23766 ? 117 ALA A N    1 
ATOM   1593 C  CA   . ALA A 1 117 ? 39.02572 18.94995 -15.28352 1.000 23.44850 ? 117 ALA A CA   1 
ATOM   1594 C  C    . ALA A 1 117 ? 38.20813 20.20931 -15.00803 1.000 21.45020 ? 117 ALA A C    1 
ATOM   1595 O  O    . ALA A 1 117 ? 38.77839 21.27761 -14.73727 1.000 23.84383 ? 117 ALA A O    1 
ATOM   1596 C  CB   . ALA A 1 117 ? 39.47653 18.91335 -16.73944 1.000 26.66513 ? 117 ALA A CB   1 
ATOM   1597 H  H    . ALA A 1 117 ? 38.08145 17.26768 -15.68889 1.000 26.68514 ? 117 ALA A H    1 
ATOM   1598 H  HA   . ALA A 1 117 ? 39.81257 18.97969 -14.71706 1.000 28.13815 ? 117 ALA A HA   1 
ATOM   1599 H  HB1  . ALA A 1 117 ? 39.96672 19.72629 -16.93878 1.000 31.99810 ? 117 ALA A HB1  1 
ATOM   1600 H  HB2  . ALA A 1 117 ? 40.04799 18.14114 -16.87377 1.000 31.99810 ? 117 ALA A HB2  1 
ATOM   1601 H  HB3  . ALA A 1 117 ? 38.69503 18.84986 -17.31052 1.000 31.99810 ? 117 ALA A HB3  1 
ATOM   1602 N  N    . ASN A 1 118 ? 36.89074 20.13352 -15.09723 1.000 18.89264 ? 118 ASN A N    1 
ATOM   1603 C  CA   . ASN A 1 118 ? 36.02665 21.28540 -14.88409 1.000 17.78859 ? 118 ASN A CA   1 
ATOM   1604 C  C    . ASN A 1 118 ? 35.36617 21.29218 -13.50940 1.000 15.43342 ? 118 ASN A C    1 
ATOM   1605 O  O    . ASN A 1 118 ? 34.53569 22.15258 -13.24611 1.000 14.47168 ? 118 ASN A O    1 
ATOM   1606 C  CB   . ASN A 1 118 ? 34.96879 21.34047 -15.99000 1.000 20.62961 ? 118 ASN A CB   1 
ATOM   1607 C  CG   . ASN A 1 118 ? 35.56273 21.60679 -17.33291 1.000 25.22038 ? 118 ASN A CG   1 
ATOM   1608 O  OD1  . ASN A 1 118 ? 36.55841 22.31126 -17.47155 1.000 28.69754 ? 118 ASN A OD1  1 
ATOM   1609 N  ND2  . ASN A 1 118 ? 34.97609 21.00425 -18.32279 1.000 28.52543 ? 118 ASN A ND2  1 
ATOM   1610 H  H    . ASN A 1 118 ? 36.46303 19.41116 -15.28394 1.000 22.67112 ? 118 ASN A H    1 
ATOM   1611 H  HA   . ASN A 1 118 ? 36.55651 22.09585 -14.94178 1.000 21.34625 ? 118 ASN A HA   1 
ATOM   1612 H  HB2  . ASN A 1 118 ? 34.50556 20.48911 -16.02880 1.000 24.75547 ? 118 ASN A HB2  1 
ATOM   1613 H  HB3  . ASN A 1 118 ? 34.33963 22.05178 -15.79228 1.000 24.75547 ? 118 ASN A HB3  1 
ATOM   1614 H  HD21 . ASN A 1 118 ? 35.26619 21.11287 -19.12506 1.000 34.23046 ? 118 ASN A HD21 1 
ATOM   1615 H  HD22 . ASN A 1 118 ? 34.29757 20.49666 -18.17592 1.000 34.23046 ? 118 ASN A HD22 1 
ATOM   1616 N  N    . ALA A 1 119 ? 35.70183 20.33230 -12.65292 1.000 14.47952 ? 119 ALA A N    1 
ATOM   1617 C  CA   . ALA A 1 119 ? 34.96947 20.16613 -11.38515 1.000 13.71267 ? 119 ALA A CA   1 
ATOM   1618 C  C    . ALA A 1 119 ? 35.14922 21.35979 -10.46765 1.000 12.42003 ? 119 ALA A C    1 
ATOM   1619 O  O    . ALA A 1 119 ? 34.29445 21.62487 -9.61836  1.000 13.82570 ? 119 ALA A O    1 
ATOM   1620 C  CB   . ALA A 1 119 ? 35.38972 18.86970 -10.71908 1.000 16.53870 ? 119 ALA A CB   1 
ATOM   1621 H  H    . ALA A 1 119 ? 36.33945 19.76775 -12.77262 1.000 17.37537 ? 119 ALA A H    1 
ATOM   1622 H  HA   . ALA A 1 119 ? 34.01908 20.10055 -11.56777 1.000 16.45515 ? 119 ALA A HA   1 
ATOM   1623 H  HB1  . ALA A 1 119 ? 34.92937 18.78759 -9.86924  1.000 19.84638 ? 119 ALA A HB1  1 
ATOM   1624 H  HB2  . ALA A 1 119 ? 35.15334 18.12694 -11.29644 1.000 19.84638 ? 119 ALA A HB2  1 
ATOM   1625 H  HB3  . ALA A 1 119 ? 36.34893 18.88486 -10.57557 1.000 19.84638 ? 119 ALA A HB3  1 
ATOM   1626 N  N    . TRP A 1 120 ? 36.28153 22.06146 -10.56725 1.000 13.44856 ? 120 TRP A N    1 
ATOM   1627 C  CA   . TRP A 1 120 ? 36.48931 23.26110 -9.73946  1.000 12.99482 ? 120 TRP A CA   1 
ATOM   1628 C  C    . TRP A 1 120 ? 35.39955 24.30074 -9.94798  1.000 12.33614 ? 120 TRP A C    1 
ATOM   1629 O  O    . TRP A 1 120 ? 35.12540 25.11065 -9.03921  1.000 13.54605 ? 120 TRP A O    1 
ATOM   1630 C  CB   . TRP A 1 120 ? 37.85008 23.92589 -10.01408 1.000 14.33126 ? 120 TRP A CB   1 
ATOM   1631 C  CG   . TRP A 1 120 ? 37.99006 24.48841 -11.39642 1.000 13.67819 ? 120 TRP A CG   1 
ATOM   1632 C  CD1  . TRP A 1 120 ? 38.39374 23.82389 -12.52935 1.000 14.96043 ? 120 TRP A CD1  1 
ATOM   1633 C  CD2  . TRP A 1 120 ? 37.67366 25.81582 -11.78238 1.000 13.43719 ? 120 TRP A CD2  1 
ATOM   1634 N  NE1  . TRP A 1 120 ? 38.33002 24.68931 -13.58433 1.000 15.61906 ? 120 TRP A NE1  1 
ATOM   1635 C  CE2  . TRP A 1 120 ? 37.89472 25.91074 -13.16166 1.000 15.85202 ? 120 TRP A CE2  1 
ATOM   1636 C  CE3  . TRP A 1 120 ? 37.22405 26.94643 -11.08609 1.000 14.88475 ? 120 TRP A CE3  1 
ATOM   1637 C  CZ2  . TRP A 1 120 ? 37.71023 27.09684 -13.87050 1.000 17.20996 ? 120 TRP A CZ2  1 
ATOM   1638 C  CZ3  . TRP A 1 120 ? 36.99792 28.11081 -11.81447 1.000 15.81028 ? 120 TRP A CZ3  1 
ATOM   1639 C  CH2  . TRP A 1 120 ? 37.28320 28.17239 -13.17847 1.000 17.14248 ? 120 TRP A CH2  1 
ATOM   1640 H  H    . TRP A 1 120 ? 36.93424 21.87176 -11.09411 1.000 16.13822 ? 120 TRP A H    1 
ATOM   1641 H  HA   . TRP A 1 120 ? 36.47935 22.95825 -8.81800  1.000 15.59372 ? 120 TRP A HA   1 
ATOM   1642 H  HB2  . TRP A 1 120 ? 37.97177 24.65496 -9.38595  1.000 17.19746 ? 120 TRP A HB2  1 
ATOM   1643 H  HB3  . TRP A 1 120 ? 38.54886 23.26401 -9.89355  1.000 17.19746 ? 120 TRP A HB3  1 
ATOM   1644 H  HD1  . TRP A 1 120 ? 38.66456 22.93517 -12.57087 1.000 17.95246 ? 120 TRP A HD1  1 
ATOM   1645 H  HE1  . TRP A 1 120 ? 38.53448 24.49272 -14.39621 1.000 18.74282 ? 120 TRP A HE1  1 
ATOM   1646 H  HE3  . TRP A 1 120 ? 37.08151 26.91939 -10.16747 1.000 17.86165 ? 120 TRP A HE3  1 
ATOM   1647 H  HZ2  . TRP A 1 120 ? 37.87517 27.14440 -14.78452 1.000 20.65189 ? 120 TRP A HZ2  1 
ATOM   1648 H  HZ3  . TRP A 1 120 ? 36.65125 28.85935 -11.38504 1.000 18.97228 ? 120 TRP A HZ3  1 
ATOM   1649 H  HH2  . TRP A 1 120 ? 37.17541 28.98112 -13.62484 1.000 20.57092 ? 120 TRP A HH2  1 
ATOM   1650 N  N    . ALA A 1 121 ? 34.74042 24.28382 -11.13157 1.000 12.20708 ? 121 ALA A N    1 
ATOM   1651 C  CA   . ALA A 1 121 ? 33.70865 25.24779 -11.50139 1.000 12.58028 ? 121 ALA A CA   1 
ATOM   1652 C  C    . ALA A 1 121 ? 32.33109 24.59121 -11.55485 1.000 12.07095 ? 121 ALA A C    1 
ATOM   1653 O  O    . ALA A 1 121 ? 31.43518 25.11310 -12.20685 1.000 14.09576 ? 121 ALA A O    1 
ATOM   1654 C  CB   . ALA A 1 121 ? 34.06554 25.86657 -12.85387 1.000 14.34069 ? 121 ALA A CB   1 
ATOM   1655 H  H    . ALA A 1 121 ? 34.88763 23.70056 -11.74617 1.000 14.64844 ? 121 ALA A H    1 
ATOM   1656 H  HA   . ALA A 1 121 ? 33.66593 25.95599 -10.83993 1.000 15.09629 ? 121 ALA A HA   1 
ATOM   1657 H  HB1  . ALA A 1 121 ? 33.41213 26.54987 -13.07081 1.000 17.20877 ? 121 ALA A HB1  1 
ATOM   1658 H  HB2  . ALA A 1 121 ? 34.95002 26.26076 -12.79727 1.000 17.20877 ? 121 ALA A HB2  1 
ATOM   1659 H  HB3  . ALA A 1 121 ? 34.05552 25.17236 -13.53127 1.000 17.20877 ? 121 ALA A HB3  1 
ATOM   1660 N  N    . SER A 1 122 ? 32.12246 23.54015 -10.77565 1.000 11.65482 ? 122 SER A N    1 
ATOM   1661 C  CA   . SER A 1 122 ? 30.87091 22.80397 -10.83243 1.000 12.20777 ? 122 SER A CA   1 
ATOM   1662 C  C    . SER A 1 122 ? 29.73725 23.41345 -10.04040 1.000 11.62367 ? 122 SER A C    1 
ATOM   1663 O  O    . SER A 1 122 ? 28.60943 22.95858 -10.22343 1.000 12.20714 ? 122 SER A O    1 
ATOM   1664 C  CB   . SER A 1 122 ? 31.09115 21.38335 -10.28373 1.000 13.79118 ? 122 SER A CB   1 
ATOM   1665 O  OG   . SER A 1 122 ? 31.41135 21.44991 -8.88900  1.000 15.26684 ? 122 SER A OG   1 
ATOM   1666 H  H    . SER A 1 122 ? 32.68925 23.23348 -10.20618 1.000 13.98573 ? 122 SER A H    1 
ATOM   1667 H  HA   . SER A 1 122 ? 30.60194 22.78113 -11.76412 1.000 14.64928 ? 122 SER A HA   1 
ATOM   1668 H  HB2  . SER A 1 122 ? 30.27999 20.86476 -10.40197 1.000 16.54937 ? 122 SER A HB2  1 
ATOM   1669 H  HB3  . SER A 1 122 ? 31.82469 20.96542 -10.76140 1.000 16.54937 ? 122 SER A HB3  1 
ATOM   1670 H  HG   . SER A 1 122 ? 32.14497 21.84460 -8.78117  1.000 18.32015 ? 122 SER A HG   1 
ATOM   1671 N  N    . THR A 1 123 ? 29.98155 24.30937 -9.08896  1.000 10.73501 ? 123 THR A N    1 
ATOM   1672 C  CA   . THR A 1 123 ? 28.97316 24.66028 -8.09447  1.000 11.12147 ? 123 THR A CA   1 
ATOM   1673 C  C    . THR A 1 123 ? 28.71725 26.15065 -7.98975  1.000 10.24317 ? 123 THR A C    1 
ATOM   1674 O  O    . THR A 1 123 ? 29.62146 26.91312 -7.64931  1.000 11.33242 ? 123 THR A O    1 
ATOM   1675 C  CB   . THR A 1 123 ? 29.37563 24.15911 -6.70345  1.000 10.83937 ? 123 THR A CB   1 
ATOM   1676 O  OG1  . THR A 1 123 ? 29.78225 22.77906 -6.77929  1.000 12.72225 ? 123 THR A OG1  1 
ATOM   1677 C  CG2  . THR A 1 123 ? 28.22491 24.21964 -5.73425  1.000 11.51329 ? 123 THR A CG2  1 
ATOM   1678 H  H    . THR A 1 123 ? 30.72687 24.72886 -8.99885  1.000 12.88196 ? 123 THR A H    1 
ATOM   1679 H  HA   . THR A 1 123 ? 28.15132 24.25213 -8.40894  1.000 13.34571 ? 123 THR A HA   1 
ATOM   1680 H  HB   . THR A 1 123 ? 30.09656 24.72417 -6.38426  1.000 13.00719 ? 123 THR A HB   1 
ATOM   1681 H  HG1  . THR A 1 123 ? 30.48310 22.71080 -7.23728  1.000 15.26665 ? 123 THR A HG1  1 
ATOM   1682 H  HG21 . THR A 1 123 ? 28.48566 23.83029 -4.88495  1.000 13.81589 ? 123 THR A HG21 1 
ATOM   1683 H  HG22 . THR A 1 123 ? 27.96084 25.14179 -5.58997  1.000 13.81589 ? 123 THR A HG22 1 
ATOM   1684 H  HG23 . THR A 1 123 ? 27.46762 23.72686 -6.08720  1.000 13.81589 ? 123 THR A HG23 1 
ATOM   1685 N  N    . LEU A 1 124 ? 27.49929 26.55220 -8.25465  1.000 10.33429 ? 124 LEU A N    1 
ATOM   1686 C  CA   . LEU A 1 124 ? 27.01661 27.89779 -8.01061  1.000 10.34659 ? 124 LEU A CA   1 
ATOM   1687 C  C    . LEU A 1 124 ? 26.41581 27.99399 -6.61409  1.000 10.21854 ? 124 LEU A C    1 
ATOM   1688 O  O    . LEU A 1 124 ? 25.84153 27.02321 -6.09927  1.000 10.56028 ? 124 LEU A O    1 
ATOM   1689 C  CB   . LEU A 1 124 ? 25.94137 28.27892 -9.03083  1.000 12.29858 ? 124 LEU A CB   1 
ATOM   1690 C  CG   . LEU A 1 124 ? 26.40707 28.40330 -10.46097 1.000 13.46363 ? 124 LEU A CG   1 
ATOM   1691 C  CD1  . LEU A 1 124 ? 25.24139 28.38564 -11.46246 1.000 17.14955 ? 124 LEU A CD1  1 
ATOM   1692 C  CD2  . LEU A 1 124 ? 27.20675 29.68757 -10.66658 1.000 14.80119 ? 124 LEU A CD2  1 
ATOM   1693 H  H    . LEU A 1 124 ? 26.89662 26.04139 -8.59444  1.000 12.40110 ? 124 LEU A H    1 
ATOM   1694 H  HA   . LEU A 1 124 ? 27.75702 28.51987 -8.08618  1.000 12.41585 ? 124 LEU A HA   1 
ATOM   1695 H  HB2  . LEU A 1 124 ? 25.25013 27.59870 -9.01116  1.000 14.75824 ? 124 LEU A HB2  1 
ATOM   1696 H  HB3  . LEU A 1 124 ? 25.56975 29.13710 -8.77329  1.000 14.75824 ? 124 LEU A HB3  1 
ATOM   1697 H  HG   . LEU A 1 124 ? 26.97049 27.63365 -10.63728 1.000 16.15631 ? 124 LEU A HG   1 
ATOM   1698 H  HD11 . LEU A 1 124 ? 25.59557 28.47614 -12.36094 1.000 20.57940 ? 124 LEU A HD11 1 
ATOM   1699 H  HD12 . LEU A 1 124 ? 24.76502 27.54492 -11.37782 1.000 20.57940 ? 124 LEU A HD12 1 
ATOM   1700 H  HD13 . LEU A 1 124 ? 24.64500 29.12498 -11.26598 1.000 20.57940 ? 124 LEU A HD13 1 
ATOM   1701 H  HD21 . LEU A 1 124 ? 27.45440 29.75909 -11.60170 1.000 17.76137 ? 124 LEU A HD21 1 
ATOM   1702 H  HD22 . LEU A 1 124 ? 26.65817 30.44554 -10.41078 1.000 17.76137 ? 124 LEU A HD22 1 
ATOM   1703 H  HD23 . LEU A 1 124 ? 28.00388 29.65498 -10.11485 1.000 17.76137 ? 124 LEU A HD23 1 
ATOM   1704 N  N    . VAL A 1 125 ? 26.52025 29.15624 -6.02387  1.000 10.60026 ? 125 VAL A N    1 
ATOM   1705 C  CA   . VAL A 1 125 ? 25.91364 29.46779 -4.72649  1.000 10.08610 ? 125 VAL A CA   1 
ATOM   1706 C  C    . VAL A 1 125 ? 25.05881 30.71544 -4.84275  1.000 9.85850  ? 125 VAL A C    1 
ATOM   1707 O  O    . VAL A 1 125 ? 25.42652 31.67553 -5.52984  1.000 10.93474 ? 125 VAL A O    1 
ATOM   1708 C  CB   . VAL A 1 125 ? 26.99839 29.60330 -3.61495  1.000 10.70463 ? 125 VAL A CB   1 
ATOM   1709 C  CG1  . VAL A 1 125 ? 27.96856 30.74839 -3.88355  1.000 12.36214 ? 125 VAL A CG1  1 
ATOM   1710 C  CG2  . VAL A 1 125 ? 26.34794 29.75908 -2.21163  1.000 11.29138 ? 125 VAL A CG2  1 
ATOM   1711 H  H    . VAL A 1 125 ? 26.95371 29.81959 -6.35806  1.000 12.72026 ? 125 VAL A H    1 
ATOM   1712 H  HA   . VAL A 1 125 ? 25.31106 28.75125 -4.47280  1.000 12.10326 ? 125 VAL A HA   1 
ATOM   1713 H  HB   . VAL A 1 125 ? 27.51654 28.78334 -3.62429  1.000 12.84550 ? 125 VAL A HB   1 
ATOM   1714 H  HG11 . VAL A 1 125 ? 28.69977 30.69841 -3.24815  1.000 14.83451 ? 125 VAL A HG11 1 
ATOM   1715 H  HG12 . VAL A 1 125 ? 28.31003 30.66745 -4.78785  1.000 14.83451 ? 125 VAL A HG12 1 
ATOM   1716 H  HG13 . VAL A 1 125 ? 27.49873 31.59086 -3.78157  1.000 14.83451 ? 125 VAL A HG13 1 
ATOM   1717 H  HG21 . VAL A 1 125 ? 27.03732 29.68156 -1.53366  1.000 13.54960 ? 125 VAL A HG21 1 
ATOM   1718 H  HG22 . VAL A 1 125 ? 25.92449 30.62992 -2.15474  1.000 13.54960 ? 125 VAL A HG22 1 
ATOM   1719 H  HG23 . VAL A 1 125 ? 25.68561 29.06071 -2.09126  1.000 13.54960 ? 125 VAL A HG23 1 
ATOM   1720 N  N    . GLY A 1 126 ? 23.96969 30.73040 -4.09764  1.000 9.91913  ? 126 GLY A N    1 
ATOM   1721 C  CA   . GLY A 1 126 ? 23.12498 31.89058 -4.05383  1.000 10.62964 ? 126 GLY A CA   1 
ATOM   1722 C  C    . GLY A 1 126 ? 22.17174 31.84809 -2.88782  1.000 9.68861  ? 126 GLY A C    1 
ATOM   1723 O  O    . GLY A 1 126 ? 22.33003 31.05551 -1.94903  1.000 10.88386 ? 126 GLY A O    1 
ATOM   1724 H  H    . GLY A 1 126 ? 23.70195 30.07579 -3.60836  1.000 11.90290 ? 126 GLY A H    1 
ATOM   1725 H  HA2  . GLY A 1 126 ? 23.67319 32.68680 -3.97381  1.000 12.75551 ? 126 GLY A HA2  1 
ATOM   1726 H  HA3  . GLY A 1 126 ? 22.60722 31.94460 -4.87231  1.000 12.75551 ? 126 GLY A HA3  1 
ATOM   1727 N  N    . HIS A 1 127 ? 21.17567 32.73851 -2.92401  1.000 10.39795 ? 127 HIS A N    1 
ATOM   1728 C  CA   . HIS A 1 127 ? 20.25084 32.88159 -1.79108  1.000 11.36890 ? 127 HIS A CA   1 
ATOM   1729 C  C    . HIS A 1 127 ? 18.88045 33.24552 -2.36078  1.000 10.79048 ? 127 HIS A C    1 
ATOM   1730 O  O    . HIS A 1 127 ? 18.77226 34.15046 -3.19218  1.000 12.67887 ? 127 HIS A O    1 
ATOM   1731 C  CB   . HIS A 1 127 ? 20.74500 33.91963 -0.77895  1.000 12.39565 ? 127 HIS A CB   1 
ATOM   1732 C  CG   . HIS A 1 127 ? 21.22796 35.17570 -1.39509  1.000 12.89742 ? 127 HIS A CG   1 
ATOM   1733 N  ND1  . HIS A 1 127 ? 20.44911 36.30773 -1.48374  1.000 16.85580 ? 127 HIS A ND1  1 
ATOM   1734 C  CD2  . HIS A 1 127 ? 22.41562 35.48551 -1.96506  1.000 13.31569 ? 127 HIS A CD2  1 
ATOM   1735 C  CE1  . HIS A 1 127 ? 21.14216 37.25842 -2.08908  1.000 17.73511 ? 127 HIS A CE1  1 
ATOM   1736 N  NE2  . HIS A 1 127 ? 22.30799 36.76723 -2.44888  1.000 18.91772 ? 127 HIS A NE2  1 
ATOM   1737 H  H    . HIS A 1 127 ? 21.01531 33.26549 -3.58444  1.000 12.47749 ? 127 HIS A H    1 
ATOM   1738 H  HA   . HIS A 1 127 ? 20.17125 32.04479 -1.30700  1.000 13.64263 ? 127 HIS A HA   1 
ATOM   1739 H  HB2  . HIS A 1 127 ? 20.01415 34.14520 -0.18239  1.000 14.87473 ? 127 HIS A HB2  1 
ATOM   1740 H  HB3  . HIS A 1 127 ? 21.47942 33.53690 -0.27392  1.000 14.87473 ? 127 HIS A HB3  1 
ATOM   1741 H  HD2  . HIS A 1 127 ? 23.16328 34.93508 -2.01911  1.000 15.97877 ? 127 HIS A HD2  1 
ATOM   1742 H  HE1  . HIS A 1 127 ? 20.85277 38.12997 -2.23590  1.000 21.28208 ? 127 HIS A HE1  1 
ATOM   1743 N  N    . ASP A 1 128 ? 17.85709 32.54184 -1.88369  1.000 10.40780 ? 128 ASP A N    1 
ATOM   1744 C  CA   . ASP A 1 128 ? 16.45883 32.81751 -2.26476  1.000 11.17897 ? 128 ASP A CA   1 
ATOM   1745 C  C    . ASP A 1 128 ? 15.62834 33.03584 -1.00448  1.000 11.01464 ? 128 ASP A C    1 
ATOM   1746 O  O    . ASP A 1 128 ? 15.76444 32.33265 -0.00184  1.000 12.23741 ? 128 ASP A O    1 
ATOM   1747 C  CB   . ASP A 1 128 ? 15.84279 31.61911 -2.99745  1.000 11.66652 ? 128 ASP A CB   1 
ATOM   1748 C  CG   . ASP A 1 128 ? 16.41412 31.32317 -4.36981  1.000 11.10913 ? 128 ASP A CG   1 
ATOM   1749 O  OD1  . ASP A 1 128 ? 17.13615 32.16717 -4.94100  1.000 11.91552 ? 128 ASP A OD1  1 
ATOM   1750 O  OD2  . ASP A 1 128 ? 16.06971 30.22247 -4.89534  1.000 11.96058 ? 128 ASP A OD2  1 
ATOM   1751 H  H    . ASP A 1 128 ? 17.94093 31.88932 -1.32981  1.000 12.48930 ? 128 ASP A H    1 
ATOM   1752 H  HA   . ASP A 1 128 ? 16.43662 33.60721 -2.82759  1.000 13.41471 ? 128 ASP A HA   1 
ATOM   1753 H  HB2  . ASP A 1 128 ? 15.97727 30.82739 -2.45340  1.000 13.99977 ? 128 ASP A HB2  1 
ATOM   1754 H  HB3  . ASP A 1 128 ? 14.89410 31.78632 -3.11112  1.000 13.99977 ? 128 ASP A HB3  1 
ATOM   1755 N  N    . THR A 1 129 ? 14.72547 33.99764 -1.07380  1.000 12.06525 ? 129 THR A N    1 
ATOM   1756 C  CA   A THR A 1 129 ? 13.73982 34.22981 -0.03179  0.659 13.79544 ? 129 THR A CA   1 
ATOM   1757 C  CA   B THR A 1 129 ? 13.74123 34.22183 -0.03283  0.341 13.34897 ? 129 THR A CA   1 
ATOM   1758 C  C    . THR A 1 129 ? 12.36896 33.89075 -0.60490  1.000 13.04781 ? 129 THR A C    1 
ATOM   1759 O  O    . THR A 1 129 ? 11.99688 34.37448 -1.67820  1.000 13.89197 ? 129 THR A O    1 
ATOM   1760 C  CB   A THR A 1 129 ? 13.72624 35.65135 0.49504   0.659 18.48563 ? 129 THR A CB   1 
ATOM   1761 C  CB   B THR A 1 129 ? 13.84220 35.63700 0.52264   0.341 16.78798 ? 129 THR A CB   1 
ATOM   1762 O  OG1  A THR A 1 129 ? 15.02663 36.03797 0.90617   0.659 20.83012 ? 129 THR A OG1  1 
ATOM   1763 O  OG1  B THR A 1 129 ? 12.73991 35.90345 1.39793   0.341 19.75112 ? 129 THR A OG1  1 
ATOM   1764 C  CG2  A THR A 1 129 ? 12.86336 35.73930 1.74576   0.659 19.29421 ? 129 THR A CG2  1 
ATOM   1765 C  CG2  B THR A 1 129 ? 13.81635 36.64751 -0.55231  0.341 17.62848 ? 129 THR A CG2  1 
ATOM   1766 H  H    A THR A 1 129 ? 14.66122 34.54533 -1.73373  0.659 14.47825 ? 129 THR A H    1 
ATOM   1767 H  H    B THR A 1 129 ? 14.66181 34.54765 -1.73186  0.341 14.47825 ? 129 THR A H    1 
ATOM   1768 H  HA   A THR A 1 129 ? 13.95446 33.66055 0.72370   0.659 16.55448 ? 129 THR A HA   1 
ATOM   1769 H  HA   B THR A 1 129 ? 13.88418 33.63513 0.72629   0.341 16.01871 ? 129 THR A HA   1 
ATOM   1770 H  HB   A THR A 1 129 ? 13.39154 36.22830 -0.20923  0.659 22.18270 ? 129 THR A HB   1 
ATOM   1771 H  HB   B THR A 1 129 ? 14.68282 35.70844 1.00135   0.341 20.14552 ? 129 THR A HB   1 
ATOM   1772 H  HG1  A THR A 1 129 ? 15.53977 36.07173 0.24198   0.659 24.99609 ? 129 THR A HG1  1 
ATOM   1773 H  HG1  B THR A 1 129 ? 12.76044 36.70442 1.65016   0.341 23.70129 ? 129 THR A HG1  1 
ATOM   1774 H  HG21 A THR A 1 129 ? 13.19405 36.44086 2.32830   0.659 23.15300 ? 129 THR A HG21 1 
ATOM   1775 H  HG21 B THR A 1 129 ? 13.82892 37.53892 -0.17004  0.341 21.15413 ? 129 THR A HG21 1 
ATOM   1776 H  HG22 A THR A 1 129 ? 11.94578 35.93861 1.50243   0.659 23.15300 ? 129 THR A HG22 1 
ATOM   1777 H  HG22 B THR A 1 129 ? 14.59046 36.54047 -1.12695  0.341 21.15413 ? 129 THR A HG22 1 
ATOM   1778 H  HG23 A THR A 1 129 ? 12.88602 34.89593 2.22442   0.659 23.15300 ? 129 THR A HG23 1 
ATOM   1779 H  HG23 B THR A 1 129 ? 13.01225 36.54473 -1.08500  0.341 21.15413 ? 129 THR A HG23 1 
ATOM   1780 N  N    . PHE A 1 130 ? 11.63515 33.03409 0.10484   1.000 13.04426 ? 130 PHE A N    1 
ATOM   1781 C  CA   . PHE A 1 130 ? 10.30408 32.60270 -0.31459  1.000 13.07333 ? 130 PHE A CA   1 
ATOM   1782 C  C    . PHE A 1 130 ? 9.24673  33.24417 0.58485   1.000 13.60337 ? 130 PHE A C    1 
ATOM   1783 O  O    . PHE A 1 130 ? 9.41134  33.33209 1.82215   1.000 14.96960 ? 130 PHE A O    1 
ATOM   1784 C  CB   . PHE A 1 130 ? 10.21567 31.07216 -0.19299  1.000 13.05352 ? 130 PHE A CB   1 
ATOM   1785 C  CG   . PHE A 1 130 ? 11.12727 30.33727 -1.14425  1.000 12.43688 ? 130 PHE A CG   1 
ATOM   1786 C  CD1  . PHE A 1 130 ? 12.44087 30.06396 -0.80224  1.000 12.29427 ? 130 PHE A CD1  1 
ATOM   1787 C  CD2  . PHE A 1 130 ? 10.68018 29.90737 -2.39802  1.000 12.82484 ? 130 PHE A CD2  1 
ATOM   1788 C  CE1  . PHE A 1 130 ? 13.26452 29.40132 -1.67240  1.000 11.95788 ? 130 PHE A CE1  1 
ATOM   1789 C  CE2  . PHE A 1 130 ? 11.53454 29.25777 -3.27942  1.000 13.33382 ? 130 PHE A CE2  1 
ATOM   1790 C  CZ   . PHE A 1 130 ? 12.82085 28.99256 -2.88670  1.000 12.44058 ? 130 PHE A CZ   1 
ATOM   1791 H  H    . PHE A 1 130 ? 11.89283 32.68323 0.84652   1.000 15.65306 ? 130 PHE A H    1 
ATOM   1792 H  HA   . PHE A 1 130 ? 10.12633 32.87392 -1.22879  1.000 15.68794 ? 130 PHE A HA   1 
ATOM   1793 H  HB2  . PHE A 1 130 ? 10.46013 30.81576 0.71001   1.000 15.66416 ? 130 PHE A HB2  1 
ATOM   1794 H  HB3  . PHE A 1 130 ? 9.30517  30.79576 -0.38136  1.000 15.66416 ? 130 PHE A HB3  1 
ATOM   1795 H  HD1  . PHE A 1 130 ? 12.76673 30.33298 0.02622   1.000 14.75307 ? 130 PHE A HD1  1 
ATOM   1796 H  HD2  . PHE A 1 130 ? 9.79659  30.05898 -2.64535  1.000 15.38976 ? 130 PHE A HD2  1 
ATOM   1797 H  HE1  . PHE A 1 130 ? 14.14447 29.22842 -1.42603  1.000 14.34940 ? 130 PHE A HE1  1 
ATOM   1798 H  HE2  . PHE A 1 130 ? 11.23813 29.00622 -4.12426  1.000 16.00053 ? 130 PHE A HE2  1 
ATOM   1799 H  HZ   . PHE A 1 130 ? 13.39222 28.52981 -3.45617  1.000 14.92864 ? 130 PHE A HZ   1 
ATOM   1800 N  N    . THR A 1 131 ? 8.15687  33.66667 -0.04838  1.000 14.31719 ? 131 THR A N    1 
ATOM   1801 C  CA   . THR A 1 131 ? 7.02775  34.22628 0.65113   1.000 15.68571 ? 131 THR A CA   1 
ATOM   1802 C  C    . THR A 1 131 ? 5.76869  33.54504 0.14735   1.000 16.32230 ? 131 THR A C    1 
ATOM   1803 O  O    . THR A 1 131 ? 5.75163  32.91390 -0.90076  1.000 16.74865 ? 131 THR A O    1 
ATOM   1804 C  CB   . THR A 1 131 ? 6.97484  35.73452 0.46638   1.000 20.31782 ? 131 THR A CB   1 
ATOM   1805 O  OG1  . THR A 1 131 ? 6.78559  36.04165 -0.92398  1.000 27.55724 ? 131 THR A OG1  1 
ATOM   1806 C  CG2  . THR A 1 131 ? 8.15515  36.40779 1.01185   1.000 23.11549 ? 131 THR A CG2  1 
ATOM   1807 H  H    . THR A 1 131 ? 8.05463  33.63491 -0.90169  1.000 17.18057 ? 131 THR A H    1 
ATOM   1808 H  HA   . THR A 1 131 ? 7.08946  34.05670 1.60419   1.000 18.82280 ? 131 THR A HA   1 
ATOM   1809 H  HB   . THR A 1 131 ? 6.22344  36.08824 0.96756   1.000 24.38134 ? 131 THR A HB   1 
ATOM   1810 H  HG1  . THR A 1 131 ? 6.62829  36.86138 -1.01830  1.000 33.06863 ? 131 THR A HG1  1 
ATOM   1811 H  HG21 . THR A 1 131 ? 8.06771  37.36807 0.90634   1.000 27.73853 ? 131 THR A HG21 1 
ATOM   1812 H  HG22 . THR A 1 131 ? 8.24820  36.20192 1.95517   1.000 27.73853 ? 131 THR A HG22 1 
ATOM   1813 H  HG23 . THR A 1 131 ? 8.95183  36.11104 0.54479   1.000 27.73853 ? 131 THR A HG23 1 
ATOM   1814 N  N    . LYS A 1 132 ? 4.68174  33.71768 0.89206   1.000 18.05582 ? 132 LYS A N    1 
ATOM   1815 C  CA   . LYS A 1 132 ? 3.39604  33.12412 0.53453   1.000 18.65995 ? 132 LYS A CA   1 
ATOM   1816 C  C    . LYS A 1 132 ? 2.67182  33.94540 -0.51763  1.000 21.86036 ? 132 LYS A C    1 
ATOM   1817 O  O    . LYS A 1 132 ? 1.69058  33.45915 -1.05603  1.000 21.96931 ? 132 LYS A O    1 
ATOM   1818 C  CB   . LYS A 1 132 ? 2.49044  32.99441 1.77032   1.000 21.21065 ? 132 LYS A CB   1 
ATOM   1819 C  CG   . LYS A 1 132 ? 2.97272  32.04062 2.79326   1.000 24.94413 ? 132 LYS A CG   1 
ATOM   1820 C  CD   . LYS A 1 132 ? 2.90982  30.65013 2.31261   1.000 28.81335 ? 132 LYS A CD   1 
ATOM   1821 C  CE   . LYS A 1 132 ? 1.48678  30.19450 2.05917   1.000 31.94568 ? 132 LYS A CE   1 
ATOM   1822 N  NZ   . LYS A 1 132 ? 1.50145  28.81548 1.46708   1.000 32.04640 ? 132 LYS A NZ   1 
ATOM   1823 H  H    . LYS A 1 132 ? 4.66121  34.17917 1.61746   1.000 21.66693 ? 132 LYS A H    1 
ATOM   1824 H  HA   . LYS A 1 132 ? 3.55236  32.22948 0.19381   1.000 22.39189 ? 132 LYS A HA   1 
ATOM   1825 H  HB2  . LYS A 1 132 ? 2.41936  33.86464 2.19287   1.000 25.45272 ? 132 LYS A HB2  1 
ATOM   1826 H  HB3  . LYS A 1 132 ? 1.61491  32.69384 1.48048   1.000 25.45272 ? 132 LYS A HB3  1 
ATOM   1827 H  HG2  . LYS A 1 132 ? 3.89515  32.24511 3.01282   1.000 29.93290 ? 132 LYS A HG2  1 
ATOM   1828 H  HG3  . LYS A 1 132 ? 2.41890  32.11367 3.58626   1.000 29.93290 ? 132 LYS A HG3  1 
ATOM   1829 H  HD2  . LYS A 1 132 ? 3.40238  30.57838 1.48006   1.000 34.57597 ? 132 LYS A HD2  1 
ATOM   1830 H  HD3  . LYS A 1 132 ? 3.29974  30.06444 2.98031   1.000 34.57597 ? 132 LYS A HD3  1 
ATOM   1831 H  HE2  . LYS A 1 132 ? 0.99495  30.17173 2.89492   1.000 38.33477 ? 132 LYS A HE2  1 
ATOM   1832 H  HE3  . LYS A 1 132 ? 1.05403  30.79879 1.43591   1.000 38.33477 ? 132 LYS A HE3  1 
ATOM   1833 H  HZ1  . LYS A 1 132 ? 0.79579  28.35421 1.75233   1.000 38.45562 ? 132 LYS A HZ1  1 
ATOM   1834 H  HZ2  . LYS A 1 132 ? 1.47417  28.86525 0.57889   1.000 38.45562 ? 132 LYS A HZ2  1 
ATOM   1835 H  HZ3  . LYS A 1 132 ? 2.24333  28.38789 1.70975   1.000 38.45562 ? 132 LYS A HZ3  1 
ATOM   1836 N  N    . VAL A 1 133 ? 3.13206  35.16522 -0.84121  1.000 24.75840 ? 133 VAL A N    1 
ATOM   1837 C  CA   . VAL A 1 133 ? 2.54479  36.03648 -1.86626  1.000 29.90681 ? 133 VAL A CA   1 
ATOM   1838 C  C    . VAL A 1 133 ? 3.60460  36.27300 -2.95001  1.000 28.54016 ? 133 VAL A C    1 
ATOM   1839 O  O    . VAL A 1 133 ? 4.79516  36.37566 -2.64360  1.000 33.20918 ? 133 VAL A O    1 
ATOM   1840 C  CB   . VAL A 1 133 ? 2.10677  37.36490 -1.21600  1.000 37.71622 ? 133 VAL A CB   1 
ATOM   1841 C  CG1  . VAL A 1 133 ? 1.42138  37.10621 0.10656   1.000 40.12500 ? 133 VAL A CG1  1 
ATOM   1842 C  CG2  . VAL A 1 133 ? 3.29685  38.27123 -0.98411  1.000 40.46056 ? 133 VAL A CG2  1 
ATOM   1843 H  H    . VAL A 1 133 ? 3.81533  35.52345 -0.46118  1.000 29.71003 ? 133 VAL A H    1 
ATOM   1844 H  HA   . VAL A 1 133 ? 1.77845  35.61787 -2.28862  1.000 35.88812 ? 133 VAL A HA   1 
ATOM   1845 H  HB   . VAL A 1 133 ? 1.48780  37.80453 -1.81974  1.000 45.25941 ? 133 VAL A HB   1 
ATOM   1846 H  HG11 . VAL A 1 133 ? 1.14761  37.95346 0.49142   1.000 48.14994 ? 133 VAL A HG11 1 
ATOM   1847 H  HG12 . VAL A 1 133 ? 0.64464  36.54523 -0.04469  1.000 48.14994 ? 133 VAL A HG12 1 
ATOM   1848 H  HG13 . VAL A 1 133 ? 2.04240  36.65783 0.70170   1.000 48.14994 ? 133 VAL A HG13 1 
ATOM   1849 H  HG21 . VAL A 1 133 ? 2.99288  39.08968 -0.56146  1.000 48.55262 ? 133 VAL A HG21 1 
ATOM   1850 H  HG22 . VAL A 1 133 ? 3.93182  37.81753 -0.40803  1.000 48.55262 ? 133 VAL A HG22 1 
ATOM   1851 H  HG23 . VAL A 1 133 ? 3.71067  38.47371 -1.83772  1.000 48.55262 ? 133 VAL A HG23 1 
ATOM   1852 N  N    . LYS A 1 134 ? 3.18297  36.29322 -4.21468  1.000 37.20842 ? 134 LYS A N    1 
ATOM   1853 C  CA   . LYS A 1 134 ? 3.97270  36.76149 -5.38903  1.000 44.58663 ? 134 LYS A CA   1 
ATOM   1854 C  C    . LYS A 1 134 ? 4.10232  35.63600 -6.40750  1.000 46.79470 ? 134 LYS A C    1 
ATOM   1855 O  O    . LYS A 1 134 ? 3.21694  35.40263 -7.22989  1.000 48.64370 ? 134 LYS A O    1 
ATOM   1856 C  CB   . LYS A 1 134 ? 5.37036  37.29725 -5.06583  1.000 47.91582 ? 134 LYS A CB   1 
ATOM   1857 C  CG   . LYS A 1 134 ? 6.11455  37.80692 -6.29680  1.000 46.63311 ? 134 LYS A CG   1 
ATOM   1858 C  CD   . LYS A 1 134 ? 7.32156  36.88443 -6.61636  1.000 47.77454 ? 134 LYS A CD   1 
ATOM   1859 C  CE   . LYS A 1 134 ? 8.54033  37.65983 -7.16442  1.000 49.74843 ? 134 LYS A CE   1 
ATOM   1860 N  NZ   . LYS A 1 134 ? 8.33631  38.26737 -8.53469  1.000 51.54275 ? 134 LYS A NZ   1 
ATOM   1861 H  H    . LYS A 1 134 ? 2.39871  36.02806 -4.44755  1.000 44.65005 ? 134 LYS A H    1 
ATOM   1862 H  HA   . LYS A 1 134 ? 3.48842  37.51896 -5.75319  1.000 53.50390 ? 134 LYS A HA   1 
ATOM   1863 H  HB2  . LYS A 1 134 ? 5.28789  38.03371 -4.43996  1.000 57.49893 ? 134 LYS A HB2  1 
ATOM   1864 H  HB3  . LYS A 1 134 ? 5.89706  36.58437 -4.67176  1.000 57.49893 ? 134 LYS A HB3  1 
ATOM   1865 H  HG2  . LYS A 1 134 ? 5.51670  37.81086 -7.06064  1.000 55.95968 ? 134 LYS A HG2  1 
ATOM   1866 H  HG3  . LYS A 1 134 ? 6.44528  38.70336 -6.12973  1.000 55.95968 ? 134 LYS A HG3  1 
ATOM   1867 H  HD2  . LYS A 1 134 ? 7.59627  36.43047 -5.80435  1.000 57.32940 ? 134 LYS A HD2  1 
ATOM   1868 H  HD3  . LYS A 1 134 ? 7.05465  36.23489 -7.28550  1.000 57.32940 ? 134 LYS A HD3  1 
ATOM   1869 H  HE2  . LYS A 1 134 ? 8.74717  38.38333 -6.55233  1.000 59.69807 ? 134 LYS A HE2  1 
ATOM   1870 H  HE3  . LYS A 1 134 ? 9.29281  37.05068 -7.22443  1.000 59.69807 ? 134 LYS A HE3  1 
ATOM   1871 H  HZ1  . LYS A 1 134 ? 9.07467  38.69233 -8.79225  1.000 61.85124 ? 134 LYS A HZ1  1 
ATOM   1872 H  HZ2  . LYS A 1 134 ? 8.14935  37.62897 -9.12595  1.000 61.85124 ? 134 LYS A HZ2  1 
ATOM   1873 H  HZ3  . LYS A 1 134 ? 7.66177  38.84756 -8.51306  1.000 61.85124 ? 134 LYS A HZ3  1 
HETATM 1874 C  C10  . QG7 B 2 .   ? 17.59200 29.19469 -9.69309  0.964 11.58175 ? 201 QG7 A C10  1 
HETATM 1875 C  C15  . QG7 B 2 .   ? 21.27903 29.38849 -18.12224 0.835 34.92583 ? 201 QG7 A C15  1 
HETATM 1876 C  C17  . QG7 B 2 .   ? 25.22965 25.47739 -15.08714 1.000 36.21374 ? 201 QG7 A C17  1 
HETATM 1877 C  C11  . QG7 B 2 .   ? 24.23506 27.64954 -15.73247 1.000 36.84654 ? 201 QG7 A C11  1 
HETATM 1878 C  C12  . QG7 B 2 .   ? 23.17466 28.29160 -16.55452 0.982 37.09355 ? 201 QG7 A C12  1 
HETATM 1879 C  C14  . QG7 B 2 .   ? 21.75793 30.09640 -16.99215 1.000 34.77318 ? 201 QG7 A C14  1 
HETATM 1880 O  O2   . QG7 B 2 .   ? 14.40164 29.54601 -8.24062  0.996 11.94676 ? 201 QG7 A O2   1 
HETATM 1881 C  C9   . QG7 B 2 .   ? 15.64143 29.45010 -8.49437  0.946 10.96236 ? 201 QG7 A C9   1 
HETATM 1882 N  N1   . QG7 B 2 .   ? 16.60814 29.61881 -7.59943  1.000 11.75620 ? 201 QG7 A N1   1 
HETATM 1883 N  N2   . QG7 B 2 .   ? 16.13054 29.21526 -9.71191  1.000 11.69650 ? 201 QG7 A N2   1 
HETATM 1884 C  C8   . QG7 B 2 .   ? 17.93933 29.46669 -8.19208  1.000 10.88193 ? 201 QG7 A C8   1 
HETATM 1885 C  C7   . QG7 B 2 .   ? 18.63498 28.24491 -7.59574  1.000 11.25448 ? 201 QG7 A C7   1 
HETATM 1886 S  S1   . QG7 B 2 .   ? 18.08138 26.84011 -8.60489  0.978 11.12000 ? 201 QG7 A S1   1 
HETATM 1887 C  C6   . QG7 B 2 .   ? 18.21581 27.88309 -10.07895 1.000 11.18804 ? 201 QG7 A C6   1 
HETATM 1888 C  C5   . QG7 B 2 .   ? 17.64413 27.23237 -11.35768 1.000 11.73524 ? 201 QG7 A C5   1 
HETATM 1889 C  C4   . QG7 B 2 .   ? 18.51323 26.11726 -11.91870 0.998 12.05166 ? 201 QG7 A C4   1 
HETATM 1890 C  C3   . QG7 B 2 .   ? 17.84288 25.42042 -13.11601 0.993 12.55370 ? 201 QG7 A C3   1 
HETATM 1891 C  C2   . QG7 B 2 .   ? 18.72470 24.37512 -13.74233 0.975 14.13642 ? 201 QG7 A C2   1 
HETATM 1892 C  C1   . QG7 B 2 .   ? 19.94840 24.91963 -14.36780 0.994 14.41099 ? 201 QG7 A C1   1 
HETATM 1893 C  C24  . QG7 B 2 .   ? 22.38094 24.52848 -14.86373 0.981 22.39498 ? 201 QG7 A C24  1 
HETATM 1894 O  O1   . QG7 B 2 .   ? 19.98729 25.95415 -15.05288 0.921 14.61140 ? 201 QG7 A O1   1 
HETATM 1895 N  N6   . QG7 B 2 .   ? 21.11486 24.17009 -14.17968 0.923 15.43937 ? 201 QG7 A N6   1 
HETATM 1896 C  C23  . QG7 B 2 .   ? 23.06588 25.87805 -14.60751 0.582 25.79660 ? 201 QG7 A C23  1 
HETATM 1897 N  N3   . QG7 B 2 .   ? 24.05552 26.17899 -15.64437 0.914 33.44425 ? 201 QG7 A N3   1 
HETATM 1898 N  N4   . QG7 B 2 .   ? 22.73470 27.66824 -17.67026 0.934 38.97151 ? 201 QG7 A N4   1 
HETATM 1899 C  C16  . QG7 B 2 .   ? 21.79335 28.12358 -18.47523 0.503 36.88890 ? 201 QG7 A C16  1 
HETATM 1900 C  C13  . QG7 B 2 .   ? 22.75015 29.57429 -16.15098 0.911 35.63678 ? 201 QG7 A C13  1 
HETATM 1901 N  N5   . QG7 B 2 .   ? 25.34306 24.84355 -17.46489 1.000 36.01930 ? 201 QG7 A N5   1 
HETATM 1902 C  C18  . QG7 B 2 .   ? 25.88265 24.74610 -16.20338 0.872 35.97821 ? 201 QG7 A C18  1 
HETATM 1903 C  C22  . QG7 B 2 .   ? 26.05754 24.11247 -18.30700 0.876 37.66834 ? 201 QG7 A C22  1 
HETATM 1904 C  C21  . QG7 B 2 .   ? 27.20927 23.34961 -17.97539 0.553 39.91986 ? 201 QG7 A C21  1 
HETATM 1905 C  C20  . QG7 B 2 .   ? 27.73254 23.25060 -16.68113 0.876 39.84310 ? 201 QG7 A C20  1 
HETATM 1906 C  C19  . QG7 B 2 .   ? 27.02237 24.01129 -15.76409 0.886 36.69786 ? 201 QG7 A C19  1 
HETATM 1907 H  H1   . QG7 B 2 .   ? 17.97259 29.91355 -10.41719 0.882 13.89805 ? 201 QG7 A H1   1 
HETATM 1908 H  H2   . QG7 B 2 .   ? 20.49369 29.83195 -18.73435 0.980 41.91095 ? 201 QG7 A H2   1 
HETATM 1909 H  H3   . QG7 B 2 .   ? 25.92618 26.20318 -14.66742 1.000 43.45643 ? 201 QG7 A H3   1 
HETATM 1910 H  H4   . QG7 B 2 .   ? 24.90639 24.76898 -14.32440 1.000 43.45643 ? 201 QG7 A H4   1 
HETATM 1911 H  H5   . QG7 B 2 .   ? 25.20223 27.85309 -16.19446 1.000 44.21580 ? 201 QG7 A H5   1 
HETATM 1912 H  H6   . QG7 B 2 .   ? 24.19076 28.06465 -14.72450 1.000 44.21580 ? 201 QG7 A H6   1 
HETATM 1913 H  H7   . QG7 B 2 .   ? 21.34134 31.07877 -16.76965 1.000 41.72777 ? 201 QG7 A H7   1 
HETATM 1914 H  H8   . QG7 B 2 .   ? 16.44462 29.82746 -6.62485  0.891 14.10739 ? 201 QG7 A H8   1 
HETATM 1915 H  H9   . QG7 B 2 .   ? 15.56633 29.07086 -10.53708 0.712 14.03575 ? 201 QG7 A H9   1 
HETATM 1916 H  H10  . QG7 B 2 .   ? 18.60030 30.31826 -8.03071  1.000 13.05826 ? 201 QG7 A H10  1 
HETATM 1917 H  H11  . QG7 B 2 .   ? 19.71815 28.35454 -7.64892  1.000 13.50533 ? 201 QG7 A H11  1 
HETATM 1918 H  H12  . QG7 B 2 .   ? 18.34650 28.10820 -6.55353  1.000 13.50533 ? 201 QG7 A H12  1 
HETATM 1919 H  H13  . QG7 B 2 .   ? 19.25468 28.03420 -10.37223 1.000 13.42560 ? 201 QG7 A H13  1 
HETATM 1920 H  H14  . QG7 B 2 .   ? 16.67904 26.79639 -11.09956 0.885 14.08223 ? 201 QG7 A H14  1 
HETATM 1921 H  H15  . QG7 B 2 .   ? 17.57788 28.00976 -12.11885 0.841 14.08223 ? 201 QG7 A H15  1 
HETATM 1922 H  H16  . QG7 B 2 .   ? 18.64994 25.37357 -11.13363 0.829 14.46194 ? 201 QG7 A H16  1 
HETATM 1923 H  H17  . QG7 B 2 .   ? 19.44324 26.56382 -12.27051 0.982 14.46194 ? 201 QG7 A H17  1 
HETATM 1924 H  H18  . QG7 B 2 .   ? 17.62611 26.17695 -13.87018 1.000 15.06439 ? 201 QG7 A H18  1 
HETATM 1925 H  H19  . QG7 B 2 .   ? 16.93734 24.93000 -12.75882 0.723 15.06439 ? 201 QG7 A H19  1 
HETATM 1926 H  H20  . QG7 B 2 .   ? 19.01649 23.66023 -12.97299 1.000 16.96365 ? 201 QG7 A H20  1 
HETATM 1927 H  H21  . QG7 B 2 .   ? 18.15078 23.84722 -14.50393 0.786 16.96365 ? 201 QG7 A H21  1 
HETATM 1928 H  H22  . QG7 B 2 .   ? 22.17755 24.48236 -15.93360 1.000 26.87392 ? 201 QG7 A H22  1 
HETATM 1929 H  H23  . QG7 B 2 .   ? 23.10459 23.75815 -14.59722 1.000 26.87392 ? 201 QG7 A H23  1 
HETATM 1930 H  H24  . QG7 B 2 .   ? 21.09365 23.36868 -13.56536 0.927 18.52719 ? 201 QG7 A H24  1 
HETATM 1931 H  H25  . QG7 B 2 .   ? 22.30809 26.66014 -14.61130 0.773 30.95586 ? 201 QG7 A H25  1 
HETATM 1932 H  H26  . QG7 B 2 .   ? 23.57213 25.83502 -13.64430 0.697 30.95586 ? 201 QG7 A H26  1 
HETATM 1933 H  H28  . QG7 B 2 .   ? 21.44159 27.56638 -19.34349 1.000 44.26662 ? 201 QG7 A H28  1 
HETATM 1934 H  H29  . QG7 B 2 .   ? 23.14833 30.10032 -15.28331 1.000 42.76408 ? 201 QG7 A H29  1 
HETATM 1935 H  H30  . QG7 B 2 .   ? 25.73299 24.09467 -19.34636 0.986 45.20196 ? 201 QG7 A H30  1 
HETATM 1936 H  H31  . QG7 B 2 .   ? 27.71484 22.80986 -18.77612 0.973 47.90378 ? 201 QG7 A H31  1 
HETATM 1937 H  H32  . QG7 B 2 .   ? 28.60050 22.64396 -16.42283 1.000 47.81167 ? 201 QG7 A H32  1 
HETATM 1938 H  H33  . QG7 B 2 .   ? 27.33250 24.04652 -14.71974 1.000 44.03738 ? 201 QG7 A H33  1 
HETATM 1939 CU CU   . CU  C 3 .   ? 24.07400 26.17300 -17.63700 0.665 29.96580 ? 202 CU  A CU   1 
HETATM 1940 CU CU   . CU  D 3 .   ? 25.49600 27.08400 -15.34500 0.298 31.93488 ? 203 CU  A CU   1 
HETATM 1941 CU CU   . CU  E 3 .   ? 23.50000 37.77000 -3.49400  0.176 14.83936 ? 204 CU  A CU   1 
HETATM 1942 CU CU   . CU  F 3 .   ? 22.34200 15.55000 -22.23600 0.897 85.57131 ? 205 CU  A CU   1 
HETATM 1943 O  O    . HOH G 4 .   ? 2.46633  18.85928 -10.74145 1.000 49.25173 ? 301 HOH A O    1 
HETATM 1944 O  O    . HOH G 4 .   ? -0.97747 25.02902 5.22631   1.000 37.52362 ? 302 HOH A O    1 
HETATM 1945 O  O    . HOH G 4 .   ? 33.71063 14.70786 -12.37160 1.000 37.19752 ? 303 HOH A O    1 
HETATM 1946 O  O    . HOH G 4 .   ? 5.20631  12.24375 5.91490   1.000 34.93095 ? 304 HOH A O    1 
HETATM 1947 O  O    . HOH G 4 .   ? 1.88236  25.73523 -10.10302 1.000 39.32551 ? 305 HOH A O    1 
HETATM 1948 O  O    . HOH G 4 .   ? 4.48221  35.35102 3.25258   1.000 22.99518 ? 306 HOH A O    1 
HETATM 1949 O  O    . HOH G 4 .   ? 15.94614 20.92188 -16.67255 1.000 14.25305 ? 307 HOH A O    1 
HETATM 1950 O  O    . HOH G 4 .   ? 1.89541  27.73240 4.09420   1.000 30.13655 ? 308 HOH A O    1 
HETATM 1951 O  O    . HOH G 4 .   ? 14.23679 16.16159 -8.78024  1.000 13.27464 ? 309 HOH A O    1 
HETATM 1952 O  O    . HOH G 4 .   ? 4.07309  19.50689 -16.11320 1.000 43.02103 ? 310 HOH A O    1 
HETATM 1953 O  O    . HOH G 4 .   ? 4.56338  25.16608 -10.22253 1.000 22.09359 ? 311 HOH A O    1 
HETATM 1954 O  O    . HOH G 4 .   ? 0.43929  30.20133 -8.19854  1.000 34.69497 ? 312 HOH A O    1 
HETATM 1955 O  O    . HOH G 4 .   ? 12.44029 16.41727 11.93517  1.000 17.74400 ? 313 HOH A O    1 
HETATM 1956 O  O    . HOH G 4 .   ? 16.74503 16.74503 0.00000   0.50  11.81926 ? 314 HOH A O    1 
HETATM 1957 O  O    . HOH G 4 .   ? 3.04350  29.59831 -10.00278 1.000 32.11058 ? 315 HOH A O    1 
HETATM 1958 O  O    . HOH G 4 .   ? 9.68789  13.24916 0.47318   1.000 24.96272 ? 316 HOH A O    1 
HETATM 1959 O  O    . HOH G 4 .   ? 10.05899 28.45522 14.19177  1.000 29.30694 ? 317 HOH A O    1 
HETATM 1960 O  O    . HOH G 4 .   ? -0.37774 33.94114 -2.77282  1.000 21.34139 ? 318 HOH A O    1 
HETATM 1961 O  O    . HOH G 4 .   ? 32.54157 25.42769 -8.21197  1.000 22.01893 ? 319 HOH A O    1 
HETATM 1962 O  O    . HOH G 4 .   ? 36.98886 18.58954 -19.57717 1.000 34.90495 ? 320 HOH A O    1 
HETATM 1963 O  O    . HOH G 4 .   ? 32.24777 19.01993 -7.93341  1.000 21.82469 ? 321 HOH A O    1 
HETATM 1964 O  O    . HOH G 4 .   ? 7.13945  29.87667 -11.24869 1.000 22.22517 ? 322 HOH A O    1 
HETATM 1965 O  O    . HOH G 4 .   ? 11.00128 25.07857 -14.19122 1.000 15.73652 ? 323 HOH A O    1 
HETATM 1966 O  O    . HOH G 4 .   ? 2.69402  20.44260 -7.89535  1.000 31.29298 ? 324 HOH A O    1 
HETATM 1967 O  O    . HOH G 4 .   ? 14.88293 24.28478 13.77706  1.000 14.63617 ? 325 HOH A O    1 
HETATM 1968 O  O    . HOH G 4 .   ? 21.57300 19.31847 -20.85600 1.000 32.85266 ? 326 HOH A O    1 
HETATM 1969 O  O    . HOH G 4 .   ? 10.59281 29.48181 17.94877  1.000 33.33563 ? 327 HOH A O    1 
HETATM 1970 O  O    . HOH G 4 .   ? 6.40931  15.50490 -6.15460  1.000 25.18443 ? 328 HOH A O    1 
HETATM 1971 O  O    . HOH G 4 .   ? 7.97221  26.56008 -16.60980 1.000 41.12121 ? 329 HOH A O    1 
HETATM 1972 O  O    . HOH G 4 .   ? 0.56865  35.68317 -4.93877  1.000 37.26213 ? 330 HOH A O    1 
HETATM 1973 O  O    . HOH G 4 .   ? 14.35083 29.86504 -17.95590 1.000 31.37798 ? 331 HOH A O    1 
HETATM 1974 O  O    . HOH G 4 .   ? 3.21219  19.10551 -2.08472  1.000 34.52633 ? 332 HOH A O    1 
HETATM 1975 O  O    . HOH G 4 .   ? 26.34296 24.52670 -11.61293 1.000 16.07308 ? 333 HOH A O    1 
HETATM 1976 O  O    . HOH G 4 .   ? 12.47385 28.61307 -16.62029 1.000 30.13618 ? 334 HOH A O    1 
HETATM 1977 O  O    . HOH G 4 .   ? 19.69766 16.66312 -13.65848 1.000 14.48077 ? 335 HOH A O    1 
HETATM 1978 O  O    . HOH G 4 .   ? 5.85302  15.40215 2.83504   1.000 22.62457 ? 336 HOH A O    1 
HETATM 1979 O  O    . HOH G 4 .   ? 4.14007  27.96812 12.02603  1.000 37.30046 ? 337 HOH A O    1 
HETATM 1980 O  O    . HOH G 4 .   ? 2.11066  13.59098 7.81935   1.000 35.00595 ? 338 HOH A O    1 
HETATM 1981 O  O    . HOH G 4 .   ? 8.15528  22.41319 12.61315  1.000 23.92158 ? 339 HOH A O    1 
HETATM 1982 O  O    . HOH G 4 .   ? 6.90686  18.45943 -15.24352 1.000 24.07341 ? 340 HOH A O    1 
HETATM 1983 O  O    . HOH G 4 .   ? 11.36196 15.75586 -11.77443 1.000 15.50061 ? 341 HOH A O    1 
HETATM 1984 O  O    . HOH G 4 .   ? 28.67200 25.52789 -12.65113 1.000 22.01607 ? 342 HOH A O    1 
HETATM 1985 O  O    . HOH G 4 .   ? 29.37077 20.29044 -17.31312 1.000 35.48342 ? 343 HOH A O    1 
HETATM 1986 O  O    . HOH G 4 .   ? 38.34239 24.23607 -16.39533 1.000 34.87919 ? 344 HOH A O    1 
HETATM 1987 O  O    . HOH G 4 .   ? 17.87893 34.16016 1.83171   1.000 21.92110 ? 345 HOH A O    1 
HETATM 1988 O  O    . HOH G 4 .   ? 11.35223 27.42098 -19.66247 1.000 34.31538 ? 346 HOH A O    1 
HETATM 1989 O  O    . HOH G 4 .   ? 19.02080 33.36319 -6.69551  1.000 15.72638 ? 347 HOH A O    1 
HETATM 1990 O  O    . HOH G 4 .   ? 6.11589  23.77883 -8.43238  1.000 17.57785 ? 348 HOH A O    1 
HETATM 1991 O  O    . HOH G 4 .   ? 10.77368 13.50255 2.09596   1.000 28.92373 ? 349 HOH A O    1 
HETATM 1992 O  O    . HOH G 4 .   ? 38.85503 20.64388 -11.50289 1.000 20.76750 ? 350 HOH A O    1 
HETATM 1993 O  O    . HOH G 4 .   ? 1.30531  22.59979 12.38827  1.000 36.52564 ? 351 HOH A O    1 
HETATM 1994 O  O    . HOH G 4 .   ? 10.43238 36.69147 -2.31448  1.000 35.85692 ? 352 HOH A O    1 
HETATM 1995 O  O    . HOH G 4 .   ? 11.79211 11.97373 4.41962   1.000 27.21199 ? 353 HOH A O    1 
HETATM 1996 O  O    . HOH G 4 .   ? 7.91957  16.02691 -16.07942 1.000 29.52033 ? 354 HOH A O    1 
HETATM 1997 O  O    . HOH G 4 .   ? 17.67620 18.80744 -21.78024 1.000 19.53264 ? 355 HOH A O    1 
HETATM 1998 O  O    . HOH G 4 .   ? 19.00532 31.14922 5.40065   1.000 19.04911 ? 356 HOH A O    1 
HETATM 1999 O  O    . HOH G 4 .   ? 36.30380 13.40538 -16.14907 1.000 39.35216 ? 357 HOH A O    1 
HETATM 2000 O  O    . HOH G 4 .   ? 15.98627 33.96599 8.79302   1.000 32.42832 ? 358 HOH A O    1 
HETATM 2001 O  O    . HOH G 4 .   ? 13.39656 36.38492 -12.69583 1.000 38.18463 ? 359 HOH A O    1 
HETATM 2002 O  O    . HOH G 4 .   ? 32.51823 19.47043 -17.72528 1.000 23.80222 ? 360 HOH A O    1 
HETATM 2003 O  O    . HOH G 4 .   ? 21.22389 34.40084 -5.30146  1.000 17.69136 ? 361 HOH A O    1 
HETATM 2004 O  O    . HOH G 4 .   ? 20.89764 29.32516 4.83411   1.000 14.95830 ? 362 HOH A O    1 
HETATM 2005 O  O    . HOH G 4 .   ? 9.53073  13.66471 -3.61642  1.000 30.80896 ? 363 HOH A O    1 
HETATM 2006 O  O    . HOH G 4 .   ? 0.65741  19.31535 6.26746   1.000 32.49871 ? 364 HOH A O    1 
HETATM 2007 O  O    . HOH G 4 .   ? 17.35141 32.24880 -17.33828 1.000 32.94351 ? 365 HOH A O    1 
HETATM 2008 O  O    . HOH G 4 .   ? 10.40249 10.36753 8.19753   1.000 36.30400 ? 366 HOH A O    1 
HETATM 2009 O  O    . HOH G 4 .   ? 17.79693 36.09233 -0.04787  1.000 23.27959 ? 367 HOH A O    1 
HETATM 2010 O  O    . HOH G 4 .   ? 14.76646 14.50475 -19.72201 1.000 31.68693 ? 368 HOH A O    1 
HETATM 2011 O  O    . HOH G 4 .   ? 38.64322 15.72044 -17.10041 1.000 32.53318 ? 369 HOH A O    1 
HETATM 2012 O  O    . HOH G 4 .   ? 18.27961 36.00388 -7.11916  1.000 18.17813 ? 370 HOH A O    1 
HETATM 2013 O  O    . HOH G 4 .   ? 8.95456  30.81397 13.24758  1.000 38.24652 ? 371 HOH A O    1 
HETATM 2014 O  O    . HOH G 4 .   ? 14.43178 14.55561 11.19206  1.000 18.09298 ? 372 HOH A O    1 
HETATM 2015 O  O    . HOH G 4 .   ? 1.37633  21.81490 -1.21102  1.000 31.04714 ? 373 HOH A O    1 
HETATM 2016 O  O    . HOH G 4 .   ? 17.30285 27.24608 20.02920  1.000 31.68931 ? 374 HOH A O    1 
HETATM 2017 O  O    . HOH G 4 .   ? 34.11241 22.55716 -6.79668  1.000 23.39420 ? 375 HOH A O    1 
HETATM 2018 O  O    . HOH G 4 .   ? 17.11371 36.55222 -2.60032  1.000 32.92873 ? 376 HOH A O    1 
HETATM 2019 O  O    . HOH G 4 .   ? 9.69160  27.06477 -15.95805 1.000 34.91556 ? 377 HOH A O    1 
HETATM 2020 O  O    . HOH G 4 .   ? 9.47912  20.90623 -24.25126 1.000 29.95355 ? 378 HOH A O    1 
HETATM 2021 O  O    . HOH G 4 .   ? 2.19414  25.55951 11.80778  1.000 39.69981 ? 379 HOH A O    1 
HETATM 2022 O  O    . HOH G 4 .   ? 7.80198  27.58425 15.54373  1.000 36.13190 ? 380 HOH A O    1 
HETATM 2023 O  O    . HOH G 4 .   ? 26.77004 16.73093 -17.31221 1.000 21.66828 ? 381 HOH A O    1 
HETATM 2024 O  O    . HOH G 4 .   ? 24.38072 37.37700 -4.60654  1.000 32.07052 ? 382 HOH A O    1 
HETATM 2025 O  O    . HOH G 4 .   ? 2.62199  31.62094 11.51797  1.000 40.38797 ? 383 HOH A O    1 
HETATM 2026 O  O    . HOH G 4 .   ? 18.39247 24.96275 -22.67323 1.000 42.24833 ? 384 HOH A O    1 
HETATM 2027 O  O    . HOH G 4 .   ? 11.27674 14.08971 12.66433  1.000 25.87483 ? 385 HOH A O    1 
HETATM 2028 O  O    . HOH G 4 .   ? 16.97408 12.81235 -19.28498 1.000 30.78149 ? 386 HOH A O    1 
HETATM 2029 O  O    . HOH G 4 .   ? 10.91758 39.93284 -6.07602  1.000 60.36844 ? 387 HOH A O    1 
HETATM 2030 O  O    . HOH G 4 .   ? 9.62182  16.48604 -24.04678 1.000 36.57829 ? 388 HOH A O    1 
HETATM 2031 O  O    . HOH G 4 .   ? 41.44878 20.87376 -12.95345 1.000 31.17003 ? 389 HOH A O    1 
HETATM 2032 O  O    . HOH G 4 .   ? 13.50590 25.63067 23.09482  1.000 46.35312 ? 390 HOH A O    1 
HETATM 2033 O  O    . HOH G 4 .   ? 22.00669 39.59400 -4.23812  1.000 32.41555 ? 391 HOH A O    1 
HETATM 2034 O  O    . HOH G 4 .   ? 8.79671  15.89608 -12.70422 1.000 30.80643 ? 392 HOH A O    1 
HETATM 2035 O  O    . HOH G 4 .   ? 5.84527  12.57008 2.99518   1.000 39.40534 ? 393 HOH A O    1 
HETATM 2036 O  O    . HOH G 4 .   ? 17.83965 27.15531 -21.06110 1.000 46.27206 ? 394 HOH A O    1 
HETATM 2037 O  O    . HOH G 4 .   ? 32.27058 23.82640 -15.25459 1.000 55.42044 ? 395 HOH A O    1 
HETATM 2038 O  O    . HOH G 4 .   ? 15.16062 15.89899 -22.06376 1.000 39.16513 ? 396 HOH A O    1 
HETATM 2039 O  O    . HOH G 4 .   ? 19.90510 36.84197 -5.02667  1.000 34.09130 ? 397 HOH A O    1 
HETATM 2040 O  O    . HOH G 4 .   ? 5.12044  15.83784 -17.64883 1.000 49.59701 ? 398 HOH A O    1 
HETATM 2041 O  O    . HOH G 4 .   ? 10.91287 12.87098 -14.92933 1.000 35.83687 ? 399 HOH A O    1 
HETATM 2042 O  O    . HOH G 4 .   ? 0.05468  16.73873 5.47146   1.000 45.68618 ? 400 HOH A O    1 
HETATM 2043 O  O    . HOH G 4 .   ? 7.08271  17.05896 -10.97220 1.000 30.53198 ? 401 HOH A O    1 
HETATM 2044 O  O    . HOH G 4 .   ? 23.70956 20.83200 -19.24006 1.000 49.61957 ? 402 HOH A O    1 
HETATM 2045 O  O    . HOH G 4 .   ? 17.78332 38.62667 1.26552   1.000 34.90726 ? 403 HOH A O    1 
HETATM 2046 O  O    . HOH G 4 .   ? 11.64496 12.83973 -12.14344 1.000 25.23198 ? 404 HOH A O    1 
HETATM 2047 O  O    . HOH G 4 .   ? 9.54794  11.43160 0.62263   1.000 35.63336 ? 405 HOH A O    1 
HETATM 2048 O  O    . HOH G 4 .   ? 31.52905 22.03077 -17.03683 1.000 41.74760 ? 406 HOH A O    1 
HETATM 2049 O  O    . HOH G 4 .   ? 3.67203  14.21149 3.76764   1.000 40.98408 ? 407 HOH A O    1 
HETATM 2050 O  O    . HOH G 4 .   ? 31.80779 22.89182 -19.53803 1.000 43.96414 ? 408 HOH A O    1 
HETATM 2051 O  O    . HOH G 4 .   ? 25.89084 14.41220 -16.13109 1.000 18.21300 ? 409 HOH A O    1 
HETATM 2052 O  O    . HOH G 4 .   ? 28.28794 27.40069 -17.27381 1.000 45.56900 ? 410 HOH A O    1 
HETATM 2053 O  O    . HOH G 4 .   ? 18.20892 38.53177 -3.79803  1.000 39.06832 ? 411 HOH A O    1 
HETATM 2054 O  O    . HOH G 4 .   ? 25.08495 17.20122 -21.97367 1.000 42.65590 ? 412 HOH A O    1 
HETATM 2055 O  O    . HOH G 4 .   ? 18.52034 31.10300 -19.11281 1.000 48.05835 ? 413 HOH A O    1 
HETATM 2056 O  O    . HOH G 4 .   ? 1.43036  14.93867 5.20654   1.000 37.83330 ? 414 HOH A O    1 
HETATM 2057 O  O    . HOH G 4 .   ? 39.24851 19.92145 -9.02177  1.000 30.25643 ? 415 HOH A O    1 
HETATM 2058 O  O    . HOH G 4 .   ? 9.11045  11.55255 -1.65203  1.000 30.80245 ? 416 HOH A O    1 
HETATM 2059 O  O    . HOH G 4 .   ? 7.70198  10.87748 2.63253   1.000 41.21653 ? 417 HOH A O    1 
HETATM 2060 O  O    . HOH G 4 .   ? 3.94891  16.00460 -4.89444  1.000 37.70279 ? 418 HOH A O    1 
HETATM 2061 O  O    . HOH G 4 .   ? 4.98345  17.19267 -12.81126 1.000 43.57402 ? 419 HOH A O    1 
HETATM 2062 O  O    . HOH G 4 .   ? 28.28332 19.83644 -19.51387 1.000 39.44316 ? 420 HOH A O    1 
HETATM 2063 O  O    . HOH G 4 .   ? 10.14081 11.38175 2.58973   1.000 31.23055 ? 421 HOH A O    1 
HETATM 2064 O  O    . HOH G 4 .   ? 28.61211 27.70795 -14.45424 1.000 34.43554 ? 422 HOH A O    1 
HETATM 2065 O  O    . HOH G 4 .   ? 5.77183  15.35369 -8.85065  1.000 29.86866 ? 423 HOH A O    1 
HETATM 2066 O  O    . HOH G 4 .   ? 7.27429  13.16535 -5.25524  1.000 28.07151 ? 424 HOH A O    1 
HETATM 2067 O  O    . HOH G 4 .   ? 5.10858  12.06115 -3.78199  1.000 45.25550 ? 425 HOH A O    1 
HETATM 2068 O  O    . HOH G 4 .   ? 6.27283  12.86876 -9.78514  1.000 38.17681 ? 426 HOH A O    1 
HETATM 2069 O  O    . HOH G 4 .   ? 10.19900 11.02608 -10.67765 1.000 34.78362 ? 427 HOH A O    1 
HETATM 2070 O  O    . HOH G 4 .   ? 7.79074  11.36724 -7.10579  1.000 36.13798 ? 428 HOH A O    1 
HETATM 2071 O  O    . HOH G 4 .   ? 10.43489 6.81861  1.56531   1.000 43.46198 ? 429 HOH A O    1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N  N   . GLY A 11  ? 0.76295 0.56920 0.56524 -0.02610 -0.03822 0.03534  11  GLY A N   
2    C  CA  . GLY A 11  ? 0.76093 0.55226 0.56412 0.01146  -0.04144 0.04452  11  GLY A CA  
3    C  C   . GLY A 11  ? 0.76790 0.59236 0.55247 -0.04909 -0.02964 0.07672  11  GLY A C   
4    O  O   . GLY A 11  ? 0.73040 0.55688 0.54677 -0.09501 -0.04398 0.10640  11  GLY A O   
7    N  N   . ARG A 12  ? 0.73871 0.61167 0.53849 -0.03213 -0.01392 0.10407  12  ARG A N   
8    C  CA  . ARG A 12  ? 0.69874 0.62571 0.52063 -0.04838 0.03419  0.11722  12  ARG A CA  
9    C  C   . ARG A 12  ? 0.59649 0.58483 0.47017 -0.05868 0.11060  0.14394  12  ARG A C   
10   O  O   . ARG A 12  ? 0.63245 0.62461 0.47335 -0.06409 0.14294  0.14156  12  ARG A O   
11   C  CB  . ARG A 12  ? 0.72444 0.69824 0.55514 -0.04087 0.02083  0.10060  12  ARG A CB  
12   C  CG  . ARG A 12  ? 0.75364 0.76418 0.58828 -0.01375 0.00027  0.09300  12  ARG A CG  
13   C  CD  . ARG A 12  ? 0.78936 0.81248 0.61815 0.00211  -0.00982 0.09527  12  ARG A CD  
14   N  NE  . ARG A 12  ? 0.80941 0.85994 0.64112 0.03105  -0.02531 0.10174  12  ARG A NE  
15   C  CZ  . ARG A 12  ? 0.78526 0.85906 0.65392 0.06178  -0.02502 0.10845  12  ARG A CZ  
16   N  NH1 . ARG A 12  ? 0.75161 0.83824 0.65324 0.04236  -0.01650 0.09579  12  ARG A NH1 
17   N  NH2 . ARG A 12  ? 0.77180 0.86115 0.66087 0.07316  -0.02447 0.12652  12  ARG A NH2 
31   N  N   . ASP A 13  ? 0.45629 0.52759 0.42141 -0.05107 0.13614  0.14103  13  ASP A N   
32   C  CA  . ASP A 13  ? 0.34908 0.45476 0.37999 0.02171  0.11532  0.12161  13  ASP A CA  
33   C  C   . ASP A 13  ? 0.35958 0.41600 0.35293 0.02222  0.09528  0.12510  13  ASP A C   
34   O  O   . ASP A 13  ? 0.36816 0.43090 0.33273 0.07024  0.08819  0.16068  13  ASP A O   
35   C  CB  . ASP A 13  ? 0.42484 0.46090 0.38262 0.04512  0.10298  0.07880  13  ASP A CB  
36   C  CG  . ASP A 13  ? 0.37113 0.44566 0.39165 0.01218  0.06873  0.07517  13  ASP A CG  
37   O  OD1 . ASP A 13  ? 0.35630 0.43905 0.38647 0.03480  0.03189  0.02042  13  ASP A OD1 
38   O  OD2 . ASP A 13  ? 0.31802 0.38254 0.40427 0.01037  0.09255  0.08402  13  ASP A OD2 
43   N  N   . GLU A 14  ? 0.41384 0.39912 0.34025 -0.00631 0.10987  0.06481  14  GLU A N   
44   C  CA  . GLU A 14  ? 0.40760 0.37154 0.35511 -0.03933 0.13148  0.03803  14  GLU A CA  
45   C  C   . GLU A 14  ? 0.38820 0.34553 0.33711 0.01019  0.13074  0.01047  14  GLU A C   
46   O  O   . GLU A 14  ? 0.33028 0.32529 0.29961 -0.00216 0.07600  0.01632  14  GLU A O   
47   C  CB  . GLU A 14  ? 0.43408 0.40075 0.38892 -0.07260 0.13487  0.04449  14  GLU A CB  
48   C  CG  . GLU A 14  ? 0.52248 0.39646 0.41258 -0.04552 0.12016  0.03121  14  GLU A CG  
49   C  CD  . GLU A 14  ? 0.51682 0.41242 0.43116 -0.02259 0.12825  0.03044  14  GLU A CD  
50   O  OE1 . GLU A 14  ? 0.58464 0.47034 0.43772 -0.04909 0.09578  0.01429  14  GLU A OE1 
51   O  OE2 . GLU A 14  ? 0.47096 0.44875 0.44810 0.01495  0.12092  0.03084  14  GLU A OE2 
58   N  N   . ALA A 15  ? 0.34897 0.34618 0.36052 -0.02088 0.09287  0.01394  15  ALA A N   
59   C  CA  . ALA A 15  ? 0.35032 0.39435 0.36783 0.01575  0.09633  -0.01214 15  ALA A CA  
60   C  C   . ALA A 15  ? 0.33411 0.39704 0.33145 0.03272  0.06441  -0.01320 15  ALA A C   
61   O  O   . ALA A 15  ? 0.35250 0.48824 0.35815 0.06010  0.06102  -0.01716 15  ALA A O   
62   C  CB  . ALA A 15  ? 0.37470 0.48561 0.40212 -0.01180 0.11431  0.00023  15  ALA A CB  
68   N  N   . GLY A 16  ? 0.31205 0.33032 0.26152 0.02597  0.07682  -0.02109 16  GLY A N   
69   C  CA  . GLY A 16  ? 0.27256 0.29295 0.23309 0.03507  0.07119  -0.00046 16  GLY A CA  
70   C  C   . GLY A 16  ? 0.20511 0.28554 0.20624 0.02898  0.02355  0.01202  16  GLY A C   
71   O  O   . GLY A 16  ? 0.21216 0.31913 0.21791 0.03162  0.02477  0.01791  16  GLY A O   
75   N  N   . ILE A 17  ? 0.20117 0.27321 0.17866 0.02176  0.00523  -0.00252 17  ILE A N   
76   C  CA  . ILE A 17  ? 0.18079 0.26593 0.17763 0.02279  0.00899  0.00717  17  ILE A CA  
77   C  C   . ILE A 17  ? 0.20808 0.25002 0.16797 0.01912  0.02325  -0.01306 17  ILE A C   
78   O  O   . ILE A 17  ? 0.20791 0.27158 0.16387 0.01514  0.00648  -0.01087 17  ILE A O   
79   C  CB  . ILE A 17  ? 0.18996 0.25186 0.19323 0.00622  -0.02634 0.00016  17  ILE A CB  
80   C  CG1 . ILE A 17  ? 0.25107 0.25481 0.20700 0.01035  -0.03010 0.00683  17  ILE A CG1 
81   C  CG2 . ILE A 17  ? 0.17825 0.26126 0.19497 0.02352  -0.00747 -0.00108 17  ILE A CG2 
82   C  CD1 . ILE A 17  ? 0.24422 0.30545 0.22244 0.04779  -0.04273 0.04369  17  ILE A CD1 
94   N  N   . THR A 18  ? 0.17573 0.27479 0.17816 0.01801  0.00755  0.01450  18  THR A N   
95   C  CA  . THR A 18  ? 0.15286 0.27995 0.19529 0.01655  -0.00027 0.00492  18  THR A CA  
96   C  C   . THR A 18  ? 0.14976 0.32154 0.18625 0.03603  0.00981  0.02029  18  THR A C   
97   O  O   . THR A 18  ? 0.17975 0.36700 0.20216 0.06285  0.01664  -0.00814 18  THR A O   
98   C  CB  . THR A 18  ? 0.16906 0.27765 0.22040 -0.00886 -0.00109 0.00977  18  THR A CB  
99   O  OG1 . THR A 18  ? 0.15951 0.30540 0.22183 -0.00004 0.01533  0.04332  18  THR A OG1 
100  C  CG2 . THR A 18  ? 0.17887 0.32805 0.23749 -0.01484 0.01054  -0.00031 18  THR A CG2 
108  N  N   . GLY A 19  ? 0.15603 0.29898 0.17380 0.03336  -0.00979 0.01457  19  GLY A N   
109  C  CA  . GLY A 19  ? 0.15326 0.31983 0.18093 0.05290  0.00026  0.01574  19  GLY A CA  
110  C  C   . GLY A 19  ? 0.14509 0.27210 0.18470 0.02905  -0.00817 0.01587  19  GLY A C   
111  O  O   . GLY A 19  ? 0.18283 0.26443 0.20423 0.02127  0.00585  -0.00704 19  GLY A O   
115  N  N   . THR A 20  ? 0.13930 0.30070 0.19802 0.02158  0.00493  0.03326  20  THR A N   
116  C  CA  . THR A 20  ? 0.14367 0.25543 0.19792 0.01410  -0.02249 0.01543  20  THR A CA  
117  C  C   . THR A 20  ? 0.17661 0.30806 0.20426 0.01542  -0.02090 -0.04368 20  THR A C   
118  O  O   . THR A 20  ? 0.18563 0.29377 0.25539 0.00877  0.01047  -0.06388 20  THR A O   
119  C  CB  . THR A 20  ? 0.14431 0.27061 0.23189 -0.01420 0.01448  0.02473  20  THR A CB  
120  O  OG1 . THR A 20  ? 0.17305 0.32369 0.25597 -0.02448 -0.03158 0.04026  20  THR A OG1 
121  C  CG2 . THR A 20  ? 0.16627 0.28459 0.24729 -0.01741 0.00068  0.04725  20  THR A CG2 
129  N  N   . TRP A 21  ? 0.15196 0.26204 0.18248 0.02052  -0.00608 -0.01516 21  TRP A N   
130  C  CA  . TRP A 21  ? 0.16101 0.22883 0.16690 0.02285  0.00005  -0.01844 21  TRP A CA  
131  C  C   . TRP A 21  ? 0.15442 0.21652 0.16768 0.02866  -0.00048 -0.00582 21  TRP A C   
132  O  O   . TRP A 21  ? 0.18046 0.23084 0.15628 0.03621  -0.00051 -0.00639 21  TRP A O   
133  C  CB  . TRP A 21  ? 0.15584 0.26166 0.17421 0.01459  0.01018  -0.00090 21  TRP A CB  
134  C  CG  . TRP A 21  ? 0.15198 0.23189 0.16914 0.00392  0.00907  -0.00536 21  TRP A CG  
135  C  CD1 . TRP A 21  ? 0.15777 0.24368 0.18573 -0.00421 -0.00361 -0.02262 21  TRP A CD1 
136  C  CD2 . TRP A 21  ? 0.15649 0.22587 0.15951 0.01837  -0.00728 -0.01026 21  TRP A CD2 
137  N  NE1 . TRP A 21  ? 0.17287 0.25896 0.18445 -0.00053 0.00903  -0.01817 21  TRP A NE1 
138  C  CE2 . TRP A 21  ? 0.17950 0.24433 0.17554 0.01734  0.00531  -0.01623 21  TRP A CE2 
139  C  CE3 . TRP A 21  ? 0.16731 0.24389 0.16265 0.00579  0.01587  -0.01011 21  TRP A CE3 
140  C  CZ2 . TRP A 21  ? 0.18168 0.26545 0.18044 0.02527  -0.01582 -0.01322 21  TRP A CZ2 
141  C  CZ3 . TRP A 21  ? 0.21808 0.25359 0.16118 0.00525  0.01734  -0.01186 21  TRP A CZ3 
142  C  CH2 . TRP A 21  ? 0.22897 0.28808 0.17532 -0.02083 0.00050  -0.02682 21  TRP A CH2 
153  N  N   . TYR A 22  ? 0.18043 0.24221 0.16830 0.01675  -0.01432 -0.00500 22  TYR A N   
154  C  CA  . TYR A 22  ? 0.15266 0.22456 0.16967 0.02849  -0.03059 0.01010  22  TYR A CA  
155  C  C   . TYR A 22  ? 0.17660 0.23289 0.15510 0.05896  -0.01835 0.01028  22  TYR A C   
156  O  O   . TYR A 22  ? 0.16988 0.25604 0.15497 0.02587  0.00327  -0.01011 22  TYR A O   
157  C  CB  . TYR A 22  ? 0.16387 0.26376 0.19622 0.01825  -0.04136 0.01263  22  TYR A CB  
158  C  CG  . TYR A 22  ? 0.18638 0.24435 0.18206 0.02257  -0.04407 0.01995  22  TYR A CG  
159  C  CD1 . TYR A 22  ? 0.20888 0.33692 0.17647 0.00155  -0.05589 0.01621  22  TYR A CD1 
160  C  CD2 . TYR A 22  ? 0.15970 0.31117 0.19708 0.02771  -0.01587 -0.00655 22  TYR A CD2 
161  C  CE1 . TYR A 22  ? 0.17980 0.34474 0.16377 0.00319  -0.03686 0.01809  22  TYR A CE1 
162  C  CE2 . TYR A 22  ? 0.16007 0.30492 0.18863 0.00890  -0.00612 -0.01500 22  TYR A CE2 
163  C  CZ  . TYR A 22  ? 0.19895 0.30886 0.16858 0.03690  -0.02204 -0.00968 22  TYR A CZ  
164  O  OH  . TYR A 22  ? 0.18412 0.32396 0.18441 0.01672  -0.02016 -0.01418 22  TYR A OH  
174  N  N   . ASN A 23  ? 0.17857 0.19618 0.16158 0.02271  -0.01912 -0.01159 23  ASN A N   
175  C  CA  . ASN A 23  ? 0.15957 0.19836 0.14803 0.00210  -0.01237 0.00245  23  ASN A CA  
176  C  C   . ASN A 23  ? 0.17493 0.21297 0.16449 0.01915  -0.01621 0.00509  23  ASN A C   
177  O  O   . ASN A 23  ? 0.19173 0.20406 0.19603 0.03346  -0.03074 0.01038  23  ASN A O   
178  C  CB  . ASN A 23  ? 0.17103 0.20439 0.12840 0.02545  -0.02049 0.01784  23  ASN A CB  
179  C  CG  . ASN A 23  ? 0.17476 0.17511 0.13967 0.02270  -0.03271 0.00745  23  ASN A CG  
180  O  OD1 . ASN A 23  ? 0.18203 0.18313 0.13549 0.02591  -0.01696 0.00325  23  ASN A OD1 
181  N  ND2 . ASN A 23  ? 0.17625 0.17982 0.13527 0.01271  -0.03632 0.00162  23  ASN A ND2 
188  N  N   . GLN A 24  ? 0.16296 0.19322 0.18230 0.02799  -0.00654 0.01069  24  GLN A N   
189  C  CA  . GLN A 24  ? 0.19315 0.18801 0.18837 0.03537  -0.02451 0.02228  24  GLN A CA  
190  C  C   . GLN A 24  ? 0.23364 0.18289 0.18770 0.00454  -0.05121 0.04926  24  GLN A C   
191  O  O   . GLN A 24  ? 0.29306 0.20368 0.21116 0.01066  -0.04684 0.03268  24  GLN A O   
192  C  CB  . GLN A 24  ? 0.20172 0.19125 0.17909 0.01329  -0.00621 0.00554  24  GLN A CB  
193  C  CG  . GLN A 24  ? 0.18995 0.19648 0.16684 0.01902  -0.01875 0.01993  24  GLN A CG  
194  C  CD  . GLN A 24  ? 0.21888 0.19857 0.13098 0.02415  -0.01230 0.01082  24  GLN A CD  
195  O  OE1 . GLN A 24  ? 0.19723 0.21531 0.14443 0.02824  -0.01063 0.03344  24  GLN A OE1 
196  N  NE2 . GLN A 24  ? 0.23329 0.20457 0.14357 0.03709  0.00190  0.01436  24  GLN A NE2 
205  N  N   . LEU A 25  ? 0.22913 0.18592 0.16103 0.01165  -0.03795 0.02394  25  LEU A N   
206  C  CA  . LEU A 25  ? 0.25960 0.19395 0.17177 -0.01135 -0.04225 0.02838  25  LEU A CA  
207  C  C   . LEU A 25  ? 0.25710 0.23574 0.19902 0.01931  -0.08435 0.03592  25  LEU A C   
208  O  O   . LEU A 25  ? 0.35289 0.27642 0.19710 -0.01117 -0.10378 0.04797  25  LEU A O   
209  C  CB  . LEU A 25  ? 0.24047 0.22433 0.17784 0.00037  0.01546  -0.00369 25  LEU A CB  
210  C  CG  . LEU A 25  ? 0.21602 0.24152 0.19811 -0.00779 -0.02611 0.01030  25  LEU A CG  
211  C  CD1 . LEU A 25  ? 0.24999 0.26231 0.20396 -0.01243 -0.00649 -0.00620 25  LEU A CD1 
212  C  CD2 . LEU A 25  ? 0.27295 0.29105 0.24826 -0.05862 -0.02230 0.08233  25  LEU A CD2 
224  N  N   . GLY A 26  ? 0.21827 0.22590 0.23242 0.02867  -0.08260 0.02457  26  GLY A N   
225  C  CA  . GLY A 26  ? 0.24375 0.24183 0.25835 0.00036  -0.09678 0.02311  26  GLY A CA  
226  C  C   . GLY A 26  ? 0.22065 0.22776 0.23568 0.00390  -0.08491 0.02032  26  GLY A C   
227  O  O   . GLY A 26  ? 0.26910 0.22775 0.25669 0.00524  -0.11900 0.02912  26  GLY A O   
231  N  N   . SER A 27  ? 0.16576 0.21965 0.16823 0.01139  -0.03761 0.03367  27  SER A N   
232  C  CA  . SER A 27  ? 0.16591 0.21162 0.14642 0.02552  -0.03701 0.00498  27  SER A CA  
233  C  C   . SER A 27  ? 0.14945 0.22128 0.14071 0.01889  -0.01887 0.03100  27  SER A C   
234  O  O   . SER A 27  ? 0.18571 0.24369 0.16507 0.01862  0.00039  -0.01835 27  SER A O   
235  C  CB  . SER A 27  ? 0.16704 0.21571 0.12866 -0.00526 -0.00681 0.00633  27  SER A CB  
236  O  OG  . SER A 27  ? 0.17402 0.21416 0.13592 0.01382  -0.04515 0.01618  27  SER A OG  
242  N  N   . THR A 28  ? 0.16702 0.22327 0.14599 0.02185  -0.01743 0.00186  28  THR A N   
243  C  CA  . THR A 28  ? 0.15270 0.24951 0.15288 0.03149  -0.01062 0.01466  28  THR A CA  
244  C  C   . THR A 28  ? 0.17405 0.22873 0.13593 0.02410  0.00558  -0.00334 28  THR A C   
245  O  O   . THR A 28  ? 0.20512 0.23755 0.12276 0.02319  -0.01064 -0.00810 28  THR A O   
246  C  CB  . THR A 28  ? 0.16621 0.25816 0.18338 0.00620  -0.03559 0.01697  28  THR A CB  
247  O  OG1 . THR A 28  ? 0.22677 0.30757 0.21800 0.00238  -0.07465 0.04117  28  THR A OG1 
248  C  CG2 . THR A 28  ? 0.19476 0.28730 0.21102 0.00216  -0.04543 0.00530  28  THR A CG2 
256  N  N   . PHE A 29  ? 0.17771 0.20745 0.13307 0.01948  0.00369  0.00078  29  PHE A N   
257  C  CA  . PHE A 29  ? 0.16169 0.22089 0.14135 0.02578  -0.01598 0.00122  29  PHE A CA  
258  C  C   . PHE A 29  ? 0.15895 0.23685 0.15343 0.02805  -0.00320 -0.00775 29  PHE A C   
259  O  O   . PHE A 29  ? 0.19284 0.23192 0.17241 0.03074  0.01052  -0.02498 29  PHE A O   
260  C  CB  . PHE A 29  ? 0.16658 0.20783 0.14457 0.02287  -0.01904 -0.00236 29  PHE A CB  
261  C  CG  . PHE A 29  ? 0.16481 0.23958 0.14307 0.03353  -0.01047 -0.00742 29  PHE A CG  
262  C  CD1 . PHE A 29  ? 0.19292 0.23488 0.14498 0.02616  -0.00126 -0.00002 29  PHE A CD1 
263  C  CD2 . PHE A 29  ? 0.20811 0.25640 0.13623 0.03466  -0.03930 -0.01890 29  PHE A CD2 
264  C  CE1 . PHE A 29  ? 0.20301 0.20644 0.14904 0.02825  -0.02409 -0.02208 29  PHE A CE1 
265  C  CE2 . PHE A 29  ? 0.17081 0.27211 0.14778 0.00430  -0.01253 -0.04400 29  PHE A CE2 
266  C  CZ  . PHE A 29  ? 0.18414 0.21650 0.15348 0.00422  -0.01799 -0.01076 29  PHE A CZ  
276  N  N   . ILE A 30  ? 0.17741 0.22020 0.13903 0.01800  -0.01304 0.00173  30  ILE A N   
277  C  CA  . ILE A 30  ? 0.16766 0.22692 0.17076 0.00488  -0.03739 -0.00784 30  ILE A CA  
278  C  C   . ILE A 30  ? 0.16471 0.23127 0.15893 0.00473  -0.00433 -0.00199 30  ILE A C   
279  O  O   . ILE A 30  ? 0.24285 0.23492 0.15192 0.02127  0.01517  0.00221  30  ILE A O   
280  C  CB  . ILE A 30  ? 0.18092 0.25582 0.19294 0.01331  -0.01138 -0.01400 30  ILE A CB  
281  C  CG1 . ILE A 30  ? 0.22377 0.28477 0.21753 -0.01347 -0.07000 0.00212  30  ILE A CG1 
282  C  CG2 . ILE A 30  ? 0.18618 0.37133 0.21163 -0.02910 0.00100  -0.02987 30  ILE A CG2 
283  C  CD1 . ILE A 30  ? 0.23710 0.34761 0.23123 -0.01858 -0.08452 -0.01249 30  ILE A CD1 
295  N  N   . VAL A 31  ? 0.17639 0.23133 0.15531 0.01142  -0.00649 -0.01444 31  VAL A N   
296  C  CA  . VAL A 31  ? 0.16215 0.24320 0.15308 0.01157  0.00210  0.00183  31  VAL A CA  
297  C  C   . VAL A 31  ? 0.15595 0.27529 0.16843 0.01165  -0.00524 -0.00921 31  VAL A C   
298  O  O   . VAL A 31  ? 0.16030 0.27055 0.18693 0.02074  0.00601  -0.00156 31  VAL A O   
299  C  CB  . VAL A 31  ? 0.15416 0.25173 0.14486 0.01475  -0.00713 -0.00943 31  VAL A CB  
300  C  CG1 . VAL A 31  ? 0.17438 0.28643 0.15810 0.01355  -0.02212 -0.03289 31  VAL A CG1 
301  C  CG2 . VAL A 31  ? 0.18020 0.27112 0.17139 0.01285  -0.02480 0.02277  31  VAL A CG2 
311  N  N   . THR A 32  ? 0.19798 0.22777 0.18656 0.01215  0.00520  -0.00110 32  THR A N   
312  C  CA  . THR A 32  ? 0.16825 0.25913 0.20249 -0.01060 0.00513  0.00390  32  THR A CA  
313  C  C   . THR A 32  ? 0.15423 0.24079 0.19076 0.00730  0.00900  0.01643  32  THR A C   
314  O  O   . THR A 32  ? 0.18398 0.25006 0.18175 0.00506  0.01249  0.02186  32  THR A O   
315  C  CB  . THR A 32  ? 0.19240 0.28732 0.24399 0.00131  -0.02421 0.02747  32  THR A CB  
316  O  OG1 . THR A 32  ? 0.22147 0.33241 0.27075 0.01032  -0.04267 0.03864  32  THR A OG1 
317  C  CG2 . THR A 32  ? 0.24627 0.32402 0.26436 -0.05086 -0.00720 0.05319  32  THR A CG2 
325  N  N   . ALA A 33  ? 0.16723 0.25261 0.18233 0.01395  0.01315  0.00944  33  ALA A N   
326  C  CA  . ALA A 33  ? 0.15689 0.26858 0.19653 0.02234  0.02139  0.01123  33  ALA A CA  
327  C  C   . ALA A 33  ? 0.17900 0.29358 0.22438 -0.02699 0.05332  0.03675  33  ALA A C   
328  O  O   . ALA A 33  ? 0.23649 0.34135 0.26933 0.01241  0.09383  0.05615  33  ALA A O   
329  C  CB  . ALA A 33  ? 0.21514 0.25705 0.18766 0.01796  0.01284  0.01871  33  ALA A CB  
335  N  N   . GLY A 34  ? 0.19771 0.25781 0.21245 -0.01523 0.00622  0.02441  34  GLY A N   
336  C  CA  . GLY A 34  ? 0.24485 0.27908 0.21647 -0.08002 0.03291  0.03968  34  GLY A CA  
337  C  C   . GLY A 34  ? 0.20172 0.26976 0.22828 -0.01800 0.03239  0.05484  34  GLY A C   
338  O  O   . GLY A 34  ? 0.20723 0.31678 0.22135 -0.03656 0.01224  0.05173  34  GLY A O   
342  N  N   . ALA A 35  ? 0.20609 0.34487 0.25156 -0.04959 0.03793  0.09288  35  ALA A N   
343  C  CA  . ALA A 35  ? 0.23712 0.40680 0.28232 -0.02946 0.05019  0.11740  35  ALA A CA  
344  C  C   . ALA A 35  ? 0.25972 0.44938 0.32116 -0.07563 0.05270  0.13999  35  ALA A C   
345  O  O   . ALA A 35  ? 0.31162 0.57206 0.33417 -0.07778 0.03876  0.10674  35  ALA A O   
346  C  CB  . ALA A 35  ? 0.23950 0.45021 0.28869 -0.05878 0.08456  0.10188  35  ALA A CB  
352  N  N   . ASP A 36  ? 0.22697 0.37410 0.35347 -0.02622 0.04389  0.15199  36  ASP A N   
353  C  CA  . ASP A 36  ? 0.27244 0.40545 0.37765 -0.03784 0.04938  0.10654  36  ASP A CA  
354  C  C   . ASP A 36  ? 0.20849 0.35632 0.32940 -0.01754 0.05867  0.12549  36  ASP A C   
355  O  O   . ASP A 36  ? 0.23689 0.38899 0.38115 0.01084  0.05648  0.19817  36  ASP A O   
356  C  CB  . ASP A 36  ? 0.31817 0.38914 0.41650 -0.09446 0.04522  0.06613  36  ASP A CB  
357  C  CG  . ASP A 36  ? 0.38800 0.44919 0.43101 -0.05168 0.03615  0.02211  36  ASP A CG  
358  O  OD1 . ASP A 36  ? 0.29398 0.34964 0.42015 -0.05062 0.01770  0.08574  36  ASP A OD1 
359  O  OD2 . ASP A 36  ? 0.46093 0.50590 0.45111 -0.11569 0.01131  0.02201  36  ASP A OD2 
364  N  N   . GLY A 37  ? 0.21935 0.27222 0.21852 -0.00506 0.04254  0.06546  37  GLY A N   
365  C  CA  . GLY A 37  ? 0.17686 0.26011 0.16963 -0.01091 0.02060  0.04265  37  GLY A CA  
366  C  C   . GLY A 37  ? 0.18233 0.22279 0.14657 -0.00743 0.00602  0.02834  37  GLY A C   
367  O  O   . GLY A 37  ? 0.18745 0.21320 0.15212 -0.02638 0.02328  0.01215  37  GLY A O   
371  N  N   . ALA A 38  ? 0.18276 0.23437 0.16400 -0.03158 0.01507  0.02290  38  ALA A N   
372  C  CA  . ALA A 38  ? 0.19720 0.22525 0.16428 -0.00792 -0.02075 0.01332  38  ALA A CA  
373  C  C   . ALA A 38  ? 0.15211 0.24122 0.14964 -0.01390 0.00798  0.01522  38  ALA A C   
374  O  O   . ALA A 38  ? 0.18095 0.25411 0.17890 -0.00806 0.02284  0.03298  38  ALA A O   
375  C  CB  . ALA A 38  ? 0.29511 0.23624 0.18555 -0.04847 -0.03518 -0.00053 38  ALA A CB  
381  N  N   . LEU A 39  ? 0.16565 0.22854 0.13324 -0.02111 0.00658  0.00937  39  LEU A N   
382  C  CA  . LEU A 39  ? 0.15615 0.24162 0.12953 -0.00479 -0.00598 0.02702  39  LEU A CA  
383  C  C   . LEU A 39  ? 0.16527 0.20454 0.14026 -0.01947 0.00154  0.02356  39  LEU A C   
384  O  O   . LEU A 39  ? 0.16335 0.21778 0.13687 -0.02229 -0.00843 0.00590  39  LEU A O   
385  C  CB  . LEU A 39  ? 0.15678 0.22325 0.12459 -0.02156 -0.00914 0.02232  39  LEU A CB  
386  C  CG  . LEU A 39  ? 0.15487 0.24780 0.13319 0.01725  0.00138  0.02072  39  LEU A CG  
387  C  CD1 . LEU A 39  ? 0.16260 0.22437 0.15618 -0.01119 -0.00329 0.01961  39  LEU A CD1 
388  C  CD2 . LEU A 39  ? 0.19480 0.22113 0.13635 -0.02093 -0.00300 0.01126  39  LEU A CD2 
400  N  N   . THR A 40  ? 0.15928 0.22189 0.14171 -0.00599 -0.01650 0.00563  40  THR A N   
401  C  CA  . THR A 40  ? 0.17711 0.20606 0.16248 -0.01196 -0.01993 0.00327  40  THR A CA  
402  C  C   . THR A 40  ? 0.18485 0.21701 0.15073 -0.02631 -0.01630 -0.00083 40  THR A C   
403  O  O   . THR A 40  ? 0.31258 0.26335 0.14709 0.04280  0.01413  -0.00593 40  THR A O   
404  C  CB  . THR A 40  ? 0.22651 0.19888 0.20310 -0.04354 -0.02704 0.01078  40  THR A CB  
405  O  OG1 A THR A 40  ? 0.26501 0.23820 0.22063 -0.02329 0.02065  -0.00859 40  THR A OG1 
406  O  OG1 B THR A 40  ? 0.19443 0.27135 0.23032 -0.05782 -0.04058 0.02779  40  THR A OG1 
407  C  CG2 A THR A 40  ? 0.28833 0.20708 0.23288 -0.02772 -0.04699 0.05145  40  THR A CG2 
408  C  CG2 B THR A 40  ? 0.29599 0.21550 0.17803 -0.03190 -0.04725 -0.01190 40  THR A CG2 
421  N  N   . GLY A 41  ? 0.18245 0.21060 0.15546 0.00908  -0.02415 0.00328  41  GLY A N   
422  C  CA  . GLY A 41  ? 0.17143 0.22943 0.15016 -0.00784 -0.01463 0.01031  41  GLY A CA  
423  C  C   . GLY A 41  ? 0.14618 0.23055 0.14637 -0.00398 -0.02140 0.00265  41  GLY A C   
424  O  O   . GLY A 41  ? 0.16864 0.20916 0.14270 -0.00873 -0.02369 -0.00070 41  GLY A O   
428  N  N   . THR A 42  ? 0.15830 0.21296 0.13248 0.00682  -0.02206 -0.00055 42  THR A N   
429  C  CA  . THR A 42  ? 0.16589 0.21421 0.14388 -0.02388 -0.02729 -0.00710 42  THR A CA  
430  C  C   . THR A 42  ? 0.15615 0.20745 0.14333 0.00009  -0.02656 -0.00993 42  THR A C   
431  O  O   . THR A 42  ? 0.18162 0.20534 0.16107 -0.00342 -0.01931 0.00254  42  THR A O   
432  C  CB  . THR A 42  ? 0.17751 0.24343 0.15924 -0.03814 -0.03473 0.00005  42  THR A CB  
433  O  OG1 . THR A 42  ? 0.17198 0.29395 0.16406 -0.01478 -0.03308 0.00404  42  THR A OG1 
434  C  CG2 . THR A 42  ? 0.19372 0.28861 0.15411 -0.03467 -0.02082 -0.00186 42  THR A CG2 
442  N  N   . TYR A 43  ? 0.16496 0.20449 0.13373 -0.01184 -0.01902 -0.00505 43  TYR A N   
443  C  CA  . TYR A 43  ? 0.16164 0.21680 0.12127 0.00858  -0.01970 -0.01275 43  TYR A CA  
444  C  C   . TYR A 43  ? 0.17951 0.19065 0.11980 -0.00178 -0.03252 -0.00449 43  TYR A C   
445  O  O   . TYR A 43  ? 0.19964 0.19790 0.12567 0.00527  -0.02684 -0.01354 43  TYR A O   
446  C  CB  . TYR A 43  ? 0.17197 0.22400 0.11538 0.01385  -0.04752 0.00740  43  TYR A CB  
447  C  CG  . TYR A 43  ? 0.17262 0.18686 0.11044 0.00649  -0.03099 0.00571  43  TYR A CG  
448  C  CD1 . TYR A 43  ? 0.17740 0.18389 0.10514 -0.00355 -0.01431 -0.00824 43  TYR A CD1 
449  C  CD2 . TYR A 43  ? 0.14799 0.20831 0.10956 0.01321  -0.01964 0.00072  43  TYR A CD2 
450  C  CE1 . TYR A 43  ? 0.15922 0.20165 0.10787 0.00280  -0.02587 -0.00600 43  TYR A CE1 
451  C  CE2 . TYR A 43  ? 0.14621 0.18778 0.11864 -0.00464 -0.02244 -0.00775 43  TYR A CE2 
452  C  CZ  . TYR A 43  ? 0.15075 0.18236 0.11969 -0.00187 -0.02808 -0.00317 43  TYR A CZ  
453  O  OH  . TYR A 43  ? 0.17020 0.18556 0.11934 0.00426  -0.01991 0.01027  43  TYR A OH  
463  N  N   . GLU A 44  ? 0.18813 0.19873 0.12143 0.01049  -0.04116 0.00280  44  GLU A N   
464  C  CA  . GLU A 44  ? 0.18758 0.21757 0.13397 0.00322  -0.04725 0.00625  44  GLU A CA  
465  C  C   . GLU A 44  ? 0.16588 0.21669 0.11974 0.00754  -0.03286 0.01263  44  GLU A C   
466  O  O   . GLU A 44  ? 0.19812 0.20352 0.13336 0.00635  -0.01438 0.00214  44  GLU A O   
467  C  CB  . GLU A 44  ? 0.20388 0.24539 0.16411 0.00626  -0.06427 0.02275  44  GLU A CB  
468  C  CG  . GLU A 44  ? 0.25596 0.30823 0.19270 -0.00187 -0.07637 0.05498  44  GLU A CG  
469  C  CD  . GLU A 44  ? 0.29691 0.47290 0.23379 -0.01141 -0.10926 0.10608  44  GLU A CD  
470  O  OE1 . GLU A 44  ? 0.27891 0.55290 0.26266 -0.01413 -0.09651 0.13016  44  GLU A OE1 
471  O  OE2 . GLU A 44  ? 0.35288 0.55217 0.26407 -0.02326 -0.12619 0.12263  44  GLU A OE2 
478  N  N   . SER A 45  ? 0.18866 0.20987 0.12049 0.00416  -0.03393 -0.00260 45  SER A N   
479  C  CA  . SER A 45  ? 0.17063 0.19815 0.11501 0.01260  -0.04129 0.00675  45  SER A CA  
480  C  C   . SER A 45  ? 0.19560 0.25634 0.11335 0.00797  -0.05364 -0.00904 45  SER A C   
481  O  O   . SER A 45  ? 0.23675 0.25545 0.12771 0.01305  -0.05927 0.02486  45  SER A O   
482  C  CB  . SER A 45  ? 0.17217 0.21126 0.11919 -0.00460 -0.03424 0.01585  45  SER A CB  
483  O  OG  . SER A 45  ? 0.17092 0.20782 0.11446 0.00258  -0.03941 0.01204  45  SER A OG  
489  N  N   . ALA A 46  ? 0.18399 0.23219 0.12773 0.00994  -0.04014 0.00469  46  ALA A N   
490  C  CA  . ALA A 46  ? 0.20626 0.24085 0.15204 0.03647  -0.05034 0.04702  46  ALA A CA  
491  C  C   . ALA A 46  ? 0.22393 0.24735 0.12943 0.01429  -0.03796 0.03718  46  ALA A C   
492  O  O   . ALA A 46  ? 0.26278 0.29201 0.14440 0.01916  -0.03388 0.06309  46  ALA A O   
493  C  CB  . ALA A 46  ? 0.22885 0.26507 0.19738 0.05549  -0.00828 0.05729  46  ALA A CB  
499  N  N   . VAL A 47  ? 0.18796 0.21030 0.13944 0.00335  -0.03450 0.02474  47  VAL A N   
500  C  CA  . VAL A 47  ? 0.19107 0.21077 0.13273 0.01943  -0.04343 0.02911  47  VAL A CA  
501  C  C   . VAL A 47  ? 0.20214 0.20608 0.11107 -0.01286 -0.04398 0.01770  47  VAL A C   
502  O  O   . VAL A 47  ? 0.22038 0.20173 0.11733 -0.00133 -0.03127 0.01099  47  VAL A O   
503  C  CB  . VAL A 47  ? 0.19355 0.20890 0.14803 0.00404  -0.04734 0.00245  47  VAL A CB  
504  C  CG1 . VAL A 47  ? 0.21589 0.21048 0.15494 0.00063  -0.03105 0.02773  47  VAL A CG1 
505  C  CG2 . VAL A 47  ? 0.20625 0.20883 0.13018 -0.00771 -0.04631 0.00342  47  VAL A CG2 
515  N  N   . GLY A 48  ? 0.21466 0.18561 0.12059 -0.01678 -0.03770 0.01848  48  GLY A N   
516  C  CA  . GLY A 48  ? 0.23074 0.20988 0.12358 0.00872  -0.01291 -0.01200 48  GLY A CA  
517  C  C   . GLY A 48  ? 0.22985 0.21135 0.10573 0.01387  -0.01699 0.01175  48  GLY A C   
518  O  O   . GLY A 48  ? 0.25465 0.23425 0.11604 -0.01002 -0.03478 0.01411  48  GLY A O   
522  N  N   . ASN A 49  ? 0.21238 0.21673 0.10501 -0.00722 -0.02407 0.00964  49  ASN A N   
523  C  CA  . ASN A 49  ? 0.23709 0.18252 0.11805 -0.00183 -0.02654 0.00709  49  ASN A CA  
524  C  C   . ASN A 49  ? 0.24402 0.18918 0.11314 -0.02639 -0.03337 0.01557  49  ASN A C   
525  O  O   . ASN A 49  ? 0.24109 0.20552 0.12153 -0.01395 -0.02858 0.01161  49  ASN A O   
526  C  CB  . ASN A 49  ? 0.26979 0.22267 0.13458 -0.00898 0.00556  0.01389  49  ASN A CB  
527  C  CG  . ASN A 49  ? 0.27447 0.28041 0.12163 0.00778  0.00775  -0.01204 49  ASN A CG  
528  O  OD1 . ASN A 49  ? 0.31040 0.32425 0.15704 -0.02174 -0.04039 -0.03744 49  ASN A OD1 
529  N  ND2 . ASN A 49  ? 0.37125 0.35839 0.10744 0.03333  0.00285  -0.03360 49  ASN A ND2 
536  N  N   . ALA A 50  ? 0.21657 0.24577 0.12341 -0.00079 -0.03743 0.00612  50  ALA A N   
537  C  CA  . ALA A 50  ? 0.21785 0.25066 0.12260 -0.03718 -0.02305 0.01741  50  ALA A CA  
538  C  C   . ALA A 50  ? 0.23469 0.20852 0.14131 -0.01102 -0.04022 0.02563  50  ALA A C   
539  O  O   . ALA A 50  ? 0.26464 0.23395 0.16566 -0.01046 -0.03916 0.02482  50  ALA A O   
540  C  CB  . ALA A 50  ? 0.22045 0.27668 0.11545 -0.02414 -0.03253 0.00197  50  ALA A CB  
546  N  N   . GLU A 51  ? 0.23157 0.22394 0.13319 -0.01747 -0.05811 0.00944  51  GLU A N   
547  C  CA  . GLU A 51  ? 0.23035 0.26696 0.13754 0.01286  -0.04414 0.01724  51  GLU A CA  
548  C  C   . GLU A 51  ? 0.19021 0.26301 0.14266 -0.01533 -0.05955 0.01878  51  GLU A C   
549  O  O   . GLU A 51  ? 0.23802 0.23377 0.16308 0.00873  -0.05310 0.02832  51  GLU A O   
550  C  CB  . GLU A 51  ? 0.29021 0.41609 0.16182 -0.04708 -0.07450 0.02530  51  GLU A CB  
551  C  CG  . GLU A 51  ? 0.43957 0.40157 0.18588 -0.10290 -0.01273 -0.01019 51  GLU A CG  
552  C  CD  . GLU A 51  ? 0.42402 0.37267 0.20587 -0.05986 -0.01896 0.01321  51  GLU A CD  
553  O  OE1 . GLU A 51  ? 0.37244 0.48417 0.20731 -0.04943 -0.03190 -0.03107 51  GLU A OE1 
554  O  OE2 . GLU A 51  ? 0.44370 0.43975 0.22461 -0.03658 -0.05261 0.03085  51  GLU A OE2 
561  N  N   . SER A 52  ? 0.21574 0.24444 0.13228 0.00583  -0.03862 0.03342  52  SER A N   
562  C  CA  A SER A 52  ? 0.20258 0.29161 0.15006 0.00633  -0.04389 0.02289  52  SER A CA  
563  C  CA  B SER A 52  ? 0.20856 0.29333 0.14761 0.00929  -0.05291 0.01681  52  SER A CA  
564  C  C   . SER A 52  ? 0.19748 0.23972 0.13763 -0.01325 -0.06284 0.00972  52  SER A C   
565  O  O   . SER A 52  ? 0.25016 0.27184 0.13198 -0.01949 -0.05491 0.02429  52  SER A O   
566  C  CB  A SER A 52  ? 0.24172 0.39136 0.17163 -0.07496 -0.08811 0.04624  52  SER A CB  
567  C  CB  B SER A 52  ? 0.26282 0.40345 0.16531 -0.02944 -0.09129 0.01414  52  SER A CB  
568  O  OG  A SER A 52  ? 0.26085 0.45823 0.18968 -0.09577 -0.08770 0.05645  52  SER A OG  
569  O  OG  B SER A 52  ? 0.28430 0.45107 0.18525 0.02391  -0.10580 0.00660  52  SER A OG  
580  N  N   . ARG A 53  ? 0.21396 0.24281 0.14052 -0.01372 -0.05014 -0.00243 53  ARG A N   
581  C  CA  . ARG A 53  ? 0.18824 0.20620 0.13224 -0.00515 -0.02991 -0.00902 53  ARG A CA  
582  C  C   . ARG A 53  ? 0.19819 0.19888 0.11444 -0.01470 -0.01875 -0.01622 53  ARG A C   
583  O  O   . ARG A 53  ? 0.19952 0.24344 0.12027 -0.00466 -0.04414 -0.01699 53  ARG A O   
584  C  CB  . ARG A 53  ? 0.20143 0.27464 0.15259 0.00678  -0.04897 -0.00516 53  ARG A CB  
585  C  CG  . ARG A 53  ? 0.17767 0.34193 0.18196 0.00257  -0.01508 0.01642  53  ARG A CG  
586  C  CD  . ARG A 53  ? 0.23558 0.45151 0.24668 0.02908  -0.02877 -0.00583 53  ARG A CD  
587  N  NE  A ARG A 53  ? 0.31744 0.46543 0.26865 0.03429  -0.04653 -0.00612 53  ARG A NE  
588  N  NE  B ARG A 53  ? 0.21030 0.52013 0.26431 -0.01086 -0.08667 -0.03584 53  ARG A NE  
589  C  CZ  A ARG A 53  ? 0.30308 0.48089 0.28188 -0.00683 -0.07113 -0.02451 53  ARG A CZ  
590  C  CZ  B ARG A 53  ? 0.42876 0.55564 0.30770 0.03422  -0.10286 -0.02375 53  ARG A CZ  
591  N  NH1 A ARG A 53  ? 0.25352 0.48107 0.29134 -0.04519 -0.06941 -0.02425 53  ARG A NH1 
592  N  NH1 B ARG A 53  ? 0.46427 0.61249 0.33289 0.03869  -0.10543 -0.03885 53  ARG A NH1 
593  N  NH2 A ARG A 53  ? 0.32880 0.48764 0.28674 0.02545  -0.10116 -0.04014 53  ARG A NH2 
594  N  NH2 B ARG A 53  ? 0.48076 0.60664 0.32214 0.01746  -0.11539 -0.02851 53  ARG A NH2 
615  N  N   . TYR A 54  ? 0.19325 0.19494 0.11080 -0.00903 -0.03963 0.00563  54  TYR A N   
616  C  CA  . TYR A 54  ? 0.22337 0.16628 0.12251 -0.01351 -0.03743 -0.00926 54  TYR A CA  
617  C  C   . TYR A 54  ? 0.19670 0.19613 0.11007 -0.01759 -0.04291 -0.00907 54  TYR A C   
618  O  O   . TYR A 54  ? 0.19322 0.21637 0.11227 -0.01262 -0.02093 -0.01350 54  TYR A O   
619  C  CB  . TYR A 54  ? 0.18224 0.19804 0.11621 -0.02680 -0.02619 0.00411  54  TYR A CB  
620  C  CG  . TYR A 54  ? 0.16716 0.19841 0.11089 -0.00583 -0.03914 -0.00056 54  TYR A CG  
621  C  CD1 . TYR A 54  ? 0.18128 0.20144 0.10923 -0.00613 -0.03804 0.01531  54  TYR A CD1 
622  C  CD2 . TYR A 54  ? 0.18609 0.20323 0.11462 -0.00878 -0.04541 -0.01635 54  TYR A CD2 
623  C  CE1 . TYR A 54  ? 0.17381 0.20188 0.11099 -0.01300 -0.03610 0.00310  54  TYR A CE1 
624  C  CE2 . TYR A 54  ? 0.18096 0.21513 0.10490 0.00312  -0.04659 -0.00626 54  TYR A CE2 
625  C  CZ  . TYR A 54  ? 0.18262 0.20982 0.09965 -0.00624 -0.04396 -0.00598 54  TYR A CZ  
626  O  OH  . TYR A 54  ? 0.22077 0.22190 0.08501 0.00795  -0.03719 -0.00082 54  TYR A OH  
636  N  N   . VAL A 55  ? 0.18419 0.20504 0.11235 -0.01399 -0.03276 -0.00780 55  VAL A N   
637  C  CA  . VAL A 55  ? 0.17865 0.21133 0.11546 -0.01304 -0.03404 -0.00142 55  VAL A CA  
638  C  C   . VAL A 55  ? 0.15849 0.20900 0.10371 -0.00390 -0.03693 0.00392  55  VAL A C   
639  O  O   . VAL A 55  ? 0.16574 0.21856 0.12734 -0.01285 -0.03634 -0.00951 55  VAL A O   
640  C  CB  . VAL A 55  ? 0.21540 0.20425 0.13773 -0.02390 -0.01654 0.01126  55  VAL A CB  
641  C  CG1 . VAL A 55  ? 0.20017 0.20642 0.15230 -0.01618 -0.03185 0.00246  55  VAL A CG1 
642  C  CG2 . VAL A 55  ? 0.24754 0.21305 0.15967 -0.04892 -0.03362 -0.02955 55  VAL A CG2 
652  N  N   . LEU A 56  ? 0.17038 0.21949 0.09742 -0.02248 -0.02452 -0.00878 56  LEU A N   
653  C  CA  . LEU A 56  ? 0.19759 0.22361 0.09669 -0.00416 -0.02217 -0.00490 56  LEU A CA  
654  C  C   . LEU A 56  ? 0.17924 0.22730 0.10827 -0.02560 -0.03128 0.00701  56  LEU A C   
655  O  O   . LEU A 56  ? 0.16902 0.23927 0.13568 -0.03326 -0.01728 0.01759  56  LEU A O   
656  C  CB  . LEU A 56  ? 0.21281 0.24343 0.13141 -0.01102 0.00111  -0.01149 56  LEU A CB  
657  C  CG  . LEU A 56  ? 0.18306 0.23046 0.15315 0.00726  -0.00492 0.00110  56  LEU A CG  
658  C  CD1 . LEU A 56  ? 0.18819 0.24054 0.12516 -0.00268 -0.00440 -0.00355 56  LEU A CD1 
659  C  CD2 . LEU A 56  ? 0.19863 0.22735 0.16669 0.00173  -0.03752 0.02316  56  LEU A CD2 
671  N  N   . THR A 57  ? 0.15131 0.22159 0.11878 -0.04316 -0.02087 0.00251  57  THR A N   
672  C  CA  . THR A 57  ? 0.17154 0.20361 0.11889 -0.02469 -0.00204 0.00572  57  THR A CA  
673  C  C   . THR A 57  ? 0.18273 0.17996 0.09698 -0.01567 -0.02776 0.01074  57  THR A C   
674  O  O   . THR A 57  ? 0.15172 0.19107 0.11073 -0.02513 -0.01975 0.01291  57  THR A O   
675  C  CB  . THR A 57  ? 0.20756 0.20730 0.15581 -0.04456 -0.03383 -0.01672 57  THR A CB  
676  O  OG1 . THR A 57  ? 0.25275 0.25536 0.20227 -0.01416 -0.01718 -0.00983 57  THR A OG1 
677  C  CG2 . THR A 57  ? 0.18856 0.20746 0.15928 -0.00636 0.02129  -0.00700 57  THR A CG2 
685  N  N   . GLY A 58  ? 0.18462 0.19160 0.09422 -0.01209 -0.01693 0.00828  58  GLY A N   
686  C  CA  . GLY A 58  ? 0.16706 0.20106 0.09137 -0.02313 -0.01134 0.00885  58  GLY A CA  
687  C  C   . GLY A 58  ? 0.16162 0.18136 0.09837 -0.01415 -0.00581 0.00477  58  GLY A C   
688  O  O   . GLY A 58  ? 0.16562 0.19523 0.11226 -0.02199 -0.00249 0.01456  58  GLY A O   
692  N  N   . ARG A 59  ? 0.16840 0.17638 0.10158 -0.02030 0.00319  0.01398  59  ARG A N   
693  C  CA  . ARG A 59  ? 0.16702 0.18945 0.09969 -0.02595 0.00266  0.02489  59  ARG A CA  
694  C  C   . ARG A 59  ? 0.18385 0.18468 0.09696 -0.00304 -0.01072 0.01973  59  ARG A C   
695  O  O   . ARG A 59  ? 0.19032 0.18392 0.11847 -0.01894 0.01511  0.01789  59  ARG A O   
696  C  CB  . ARG A 59  ? 0.16277 0.20705 0.10609 -0.01773 -0.00794 0.02776  59  ARG A CB  
697  C  CG  . ARG A 59  ? 0.20586 0.19668 0.11088 -0.01056 -0.00643 0.02944  59  ARG A CG  
698  C  CD  . ARG A 59  ? 0.22881 0.19495 0.11578 -0.00550 -0.01017 0.02302  59  ARG A CD  
699  N  NE  . ARG A 59  ? 0.20176 0.20154 0.13167 -0.01544 0.00542  0.02431  59  ARG A NE  
700  C  CZ  . ARG A 59  ? 0.18258 0.22359 0.15747 0.01934  -0.00818 0.03377  59  ARG A CZ  
701  N  NH1 . ARG A 59  ? 0.19798 0.24026 0.17634 -0.01429 -0.02361 0.03898  59  ARG A NH1 
702  N  NH2 . ARG A 59  ? 0.19677 0.24702 0.16417 -0.03037 0.00983  0.03534  59  ARG A NH2 
716  N  N   . TYR A 60  ? 0.18283 0.19529 0.10122 -0.01487 0.00430  0.02092  60  TYR A N   
717  C  CA  . TYR A 60  ? 0.15803 0.21227 0.09938 -0.00044 -0.00025 0.02575  60  TYR A CA  
718  C  C   . TYR A 60  ? 0.15938 0.21379 0.12494 0.00061  0.01294  0.00308  60  TYR A C   
719  O  O   . TYR A 60  ? 0.20419 0.20972 0.12646 -0.02140 0.02604  0.02293  60  TYR A O   
720  C  CB  . TYR A 60  ? 0.17605 0.21528 0.11798 0.00209  0.00817  0.03666  60  TYR A CB  
721  C  CG  . TYR A 60  ? 0.17617 0.23926 0.13377 -0.00698 -0.00521 0.01934  60  TYR A CG  
722  C  CD1 . TYR A 60  ? 0.19139 0.23422 0.16884 0.01216  0.00985  0.02846  60  TYR A CD1 
723  C  CD2 . TYR A 60  ? 0.17610 0.23370 0.13560 0.00925  0.00755  0.01666  60  TYR A CD2 
724  C  CE1 . TYR A 60  ? 0.17438 0.23206 0.18498 -0.02311 0.03286  0.01827  60  TYR A CE1 
725  C  CE2 . TYR A 60  ? 0.20431 0.30931 0.14812 0.01895  0.01365  0.01248  60  TYR A CE2 
726  C  CZ  . TYR A 60  ? 0.19947 0.26841 0.18016 -0.00401 0.04481  0.01987  60  TYR A CZ  
727  O  OH  . TYR A 60  ? 0.19572 0.30449 0.23183 -0.01487 0.05452  0.02314  60  TYR A OH  
737  N  N   . ASP A 61  ? 0.18214 0.20870 0.10876 -0.01787 0.02107  0.00622  61  ASP A N   
738  C  CA  . ASP A 61  ? 0.19715 0.24374 0.09984 -0.01019 0.02624  0.01306  61  ASP A CA  
739  C  C   . ASP A 61  ? 0.21352 0.22336 0.11432 0.00036  0.03673  0.01959  61  ASP A C   
740  O  O   . ASP A 61  ? 0.19673 0.24001 0.13400 0.00543  0.03728  0.03207  61  ASP A O   
741  C  CB  . ASP A 61  ? 0.20660 0.22671 0.10003 -0.00306 0.01641  0.03589  61  ASP A CB  
742  C  CG  . ASP A 61  ? 0.21138 0.22412 0.10804 0.01163  0.03728  0.00598  61  ASP A CG  
743  O  OD1 . ASP A 61  ? 0.21412 0.25191 0.11624 -0.01728 0.02936  0.03556  61  ASP A OD1 
744  O  OD2 . ASP A 61  ? 0.22869 0.22886 0.10660 -0.00149 0.03057  0.00384  61  ASP A OD2 
749  N  N   . SER A 62  ? 0.20611 0.23362 0.13417 -0.00824 0.03109  0.03477  62  SER A N   
750  C  CA  . SER A 62  ? 0.20623 0.26046 0.16758 -0.02025 0.04603  0.02230  62  SER A CA  
751  C  C   . SER A 62  ? 0.20925 0.31152 0.15771 -0.03683 0.05709  0.02170  62  SER A C   
752  O  O   . SER A 62  ? 0.22636 0.47219 0.17535 -0.02307 0.06879  0.03576  62  SER A O   
753  C  CB  . SER A 62  ? 0.21392 0.26451 0.23230 -0.03438 0.03147  0.05255  62  SER A CB  
754  O  OG  . SER A 62  ? 0.26858 0.26100 0.32346 -0.01835 -0.00628 0.05515  62  SER A OG  
760  N  N   . ALA A 63  ? 0.23755 0.28853 0.13860 -0.02085 0.05029  0.00684  63  ALA A N   
761  C  CA  . ALA A 63  ? 0.24685 0.32888 0.14009 -0.02698 0.05269  0.00885  63  ALA A CA  
762  C  C   . ALA A 63  ? 0.23701 0.32432 0.14768 0.01421  0.04822  -0.00270 63  ALA A C   
763  O  O   . ALA A 63  ? 0.27712 0.34607 0.13467 -0.00882 0.02344  0.00845  63  ALA A O   
764  C  CB  . ALA A 63  ? 0.32517 0.37352 0.15339 -0.04627 0.04193  0.05334  63  ALA A CB  
770  N  N   . PRO A 64  ? 0.26072 0.31617 0.16707 0.02497  0.06584  0.03028  64  PRO A N   
771  C  CA  . PRO A 64  ? 0.29091 0.31237 0.16521 0.04077  0.07403  0.03879  64  PRO A CA  
772  C  C   . PRO A 64  ? 0.35446 0.30907 0.15593 0.01454  0.09222  0.01700  64  PRO A C   
773  O  O   . PRO A 64  ? 0.39615 0.31910 0.16826 -0.00077 0.11193  -0.00915 64  PRO A O   
774  C  CB  . PRO A 64  ? 0.31706 0.38363 0.20124 0.05628  0.09629  0.04183  64  PRO A CB  
775  C  CG  . PRO A 64  ? 0.30774 0.40238 0.21290 0.06620  0.07284  0.04044  64  PRO A CG  
776  C  CD  . PRO A 64  ? 0.29569 0.35911 0.20346 0.02544  0.06721  0.06854  64  PRO A CD  
784  N  N   . ALA A 65  ? 0.36127 0.30828 0.16344 0.02470  0.09568  0.00141  65  ALA A N   
785  C  CA  . ALA A 65  ? 0.40237 0.35066 0.17966 0.00778  0.10043  -0.03318 65  ALA A CA  
786  C  C   . ALA A 65  ? 0.43262 0.31937 0.20143 -0.01756 0.12875  -0.04311 65  ALA A C   
787  O  O   . ALA A 65  ? 0.44526 0.37325 0.21606 0.09387  0.14005  0.03056  65  ALA A O   
788  C  CB  . ALA A 65  ? 0.39627 0.37276 0.18534 0.00132  0.07119  -0.03153 65  ALA A CB  
794  N  N   . THR A 66  ? 0.47901 0.43597 0.24437 -0.05946 0.15297  -0.09975 66  THR A N   
795  C  CA  . THR A 66  ? 0.48721 0.50344 0.29275 -0.00755 0.18786  -0.08383 66  THR A CA  
796  C  C   . THR A 66  ? 0.54400 0.49523 0.30708 -0.00921 0.19934  -0.10412 66  THR A C   
797  O  O   . THR A 66  ? 0.54696 0.53793 0.34811 0.02348  0.22330  -0.10297 66  THR A O   
798  C  CB  . THR A 66  ? 0.56103 0.57008 0.31639 -0.01764 0.19416  -0.06022 66  THR A CB  
799  O  OG1 . THR A 66  ? 0.63116 0.61276 0.31903 -0.02367 0.21405  -0.02786 66  THR A OG1 
800  C  CG2 . THR A 66  ? 0.53762 0.60902 0.34197 -0.07465 0.18635  -0.03368 66  THR A CG2 
808  N  N   . ASP A 67  ? 0.54927 0.41403 0.27946 -0.05913 0.19515  -0.07466 67  ASP A N   
809  C  CA  . ASP A 67  ? 0.58048 0.42860 0.24792 -0.03115 0.17143  -0.06238 67  ASP A CA  
810  C  C   . ASP A 67  ? 0.59503 0.43031 0.24121 -0.01461 0.16216  -0.05553 67  ASP A C   
811  O  O   . ASP A 67  ? 0.69976 0.47607 0.23448 -0.04804 0.12036  -0.07285 67  ASP A O   
812  C  CB  . ASP A 67  ? 0.61027 0.43195 0.23333 -0.02706 0.12493  -0.07055 67  ASP A CB  
813  C  CG  . ASP A 67  ? 0.60715 0.46275 0.22311 -0.01314 0.09798  -0.06022 67  ASP A CG  
814  O  OD1 . ASP A 67  ? 0.59304 0.36771 0.19173 -0.00882 0.11184  -0.03088 67  ASP A OD1 
815  O  OD2 . ASP A 67  ? 0.64894 0.56128 0.24587 -0.00529 0.04548  -0.08008 67  ASP A OD2 
820  N  N   . GLY A 68  ? 0.45484 0.42833 0.24824 0.04732  0.17139  -0.04108 68  GLY A N   
821  C  CA  . GLY A 68  ? 0.46880 0.35604 0.24069 0.09773  0.14199  -0.03190 68  GLY A CA  
822  C  C   . GLY A 68  ? 0.40496 0.33832 0.22351 0.07786  0.10395  -0.01866 68  GLY A C   
823  O  O   . GLY A 68  ? 0.43842 0.36533 0.25683 0.08658  0.12672  -0.02627 68  GLY A O   
827  N  N   . SER A 69  ? 0.31167 0.27132 0.18026 0.00514  0.06456  -0.04073 69  SER A N   
828  C  CA  . SER A 69  ? 0.25205 0.25509 0.16726 -0.02760 0.08121  -0.06519 69  SER A CA  
829  C  C   . SER A 69  ? 0.23062 0.26628 0.16326 0.01040  0.08110  -0.04143 69  SER A C   
830  O  O   . SER A 69  ? 0.23508 0.30065 0.17720 0.01012  0.09030  -0.02171 69  SER A O   
831  C  CB  . SER A 69  ? 0.23724 0.36310 0.20418 0.01334  0.02534  -0.09247 69  SER A CB  
832  O  OG  . SER A 69  ? 0.32740 0.42407 0.24687 -0.02785 0.00417  -0.06301 69  SER A OG  
838  N  N   . GLY A 70  ? 0.20991 0.22603 0.15185 0.02513  0.04445  -0.01617 70  GLY A N   
839  C  CA  . GLY A 70  ? 0.22295 0.21071 0.13989 0.01820  0.03527  -0.01367 70  GLY A CA  
840  C  C   . GLY A 70  ? 0.19570 0.22526 0.12003 0.02982  0.03725  0.00389  70  GLY A C   
841  O  O   . GLY A 70  ? 0.19534 0.24207 0.13562 0.02220  0.02276  0.00250  70  GLY A O   
845  N  N   . THR A 71  ? 0.20271 0.23096 0.12093 0.02446  0.04057  -0.02097 71  THR A N   
846  C  CA  . THR A 71  ? 0.19502 0.20677 0.12896 0.02410  0.04329  -0.01132 71  THR A CA  
847  C  C   . THR A 71  ? 0.17747 0.18514 0.10527 -0.01106 0.02186  0.00563  71  THR A C   
848  O  O   . THR A 71  ? 0.18188 0.22125 0.10493 0.01863  0.03026  0.00954  71  THR A O   
849  C  CB  . THR A 71  ? 0.15736 0.24829 0.15381 0.02445  0.05597  -0.00369 71  THR A CB  
850  O  OG1 . THR A 71  ? 0.20314 0.27962 0.18536 0.02595  0.06394  0.00281  71  THR A OG1 
851  C  CG2 . THR A 71  ? 0.19967 0.27268 0.16422 0.00266  0.02515  0.00799  71  THR A CG2 
859  N  N   . ALA A 72  ? 0.16314 0.19652 0.10494 0.01462  0.02013  0.00548  72  ALA A N   
860  C  CA  . ALA A 72  ? 0.15434 0.19483 0.09544 0.00438  0.02151  -0.00735 72  ALA A CA  
861  C  C   . ALA A 72  ? 0.17885 0.17620 0.09479 0.00721  0.03175  0.01406  72  ALA A C   
862  O  O   . ALA A 72  ? 0.19073 0.19929 0.09729 -0.00582 0.01340  0.00671  72  ALA A O   
863  C  CB  . ALA A 72  ? 0.17261 0.19347 0.10453 0.01280  0.02597  0.01338  72  ALA A CB  
869  N  N   . LEU A 73  ? 0.16153 0.17214 0.09598 -0.00464 0.02642  0.00646  73  LEU A N   
870  C  CA  A LEU A 73  ? 0.15258 0.18055 0.10709 0.00146  0.01168  -0.00186 73  LEU A CA  
871  C  CA  B LEU A 73  ? 0.16491 0.18299 0.10535 0.01876  0.01953  0.00341  73  LEU A CA  
872  C  C   . LEU A 73  ? 0.16253 0.15615 0.09619 0.00473  0.00226  0.00266  73  LEU A C   
873  O  O   . LEU A 73  ? 0.18175 0.18981 0.09324 -0.01887 0.01293  0.00070  73  LEU A O   
874  C  CB  A LEU A 73  ? 0.17258 0.18776 0.13648 -0.01111 0.00800  0.01151  73  LEU A CB  
875  C  CB  B LEU A 73  ? 0.18993 0.20159 0.12611 0.03288  0.03681  0.02585  73  LEU A CB  
876  C  CG  A LEU A 73  ? 0.15523 0.21731 0.15909 -0.01397 -0.00225 0.00028  73  LEU A CG  
877  C  CG  B LEU A 73  ? 0.18326 0.21807 0.13478 0.02571  0.04160  0.00686  73  LEU A CG  
878  C  CD1 A LEU A 73  ? 0.21509 0.22434 0.16828 0.02627  -0.04243 -0.00722 73  LEU A CD1 
879  C  CD1 B LEU A 73  ? 0.21891 0.25493 0.14247 0.05925  0.02671  0.05570  73  LEU A CD1 
880  C  CD2 A LEU A 73  ? 0.19735 0.17040 0.17993 -0.01300 -0.05748 0.05223  73  LEU A CD2 
881  C  CD2 B LEU A 73  ? 0.17023 0.24913 0.11970 -0.01393 0.01491  -0.00685 73  LEU A CD2 
904  N  N   . GLY A 74  ? 0.14472 0.17470 0.08570 -0.01664 0.00455  0.00943  74  GLY A N   
905  C  CA  . GLY A 74  ? 0.17113 0.16449 0.08047 -0.00899 0.00951  0.01330  74  GLY A CA  
906  C  C   . GLY A 74  ? 0.14305 0.16227 0.08150 0.01536  -0.00995 0.01095  74  GLY A C   
907  O  O   . GLY A 74  ? 0.15263 0.18048 0.10133 0.00074  0.01068  0.01494  74  GLY A O   
911  N  N   . TRP A 75  ? 0.13729 0.16973 0.08078 0.00717  -0.00634 0.01215  75  TRP A N   
912  C  CA  . TRP A 75  ? 0.15424 0.16886 0.09484 -0.00003 -0.01230 -0.01099 75  TRP A CA  
913  C  C   . TRP A 75  ? 0.14092 0.15774 0.09472 0.00480  -0.01654 -0.00068 75  TRP A C   
914  O  O   . TRP A 75  ? 0.15278 0.16674 0.09689 -0.00642 -0.00632 0.00421  75  TRP A O   
915  C  CB  . TRP A 75  ? 0.14610 0.17943 0.10804 0.00212  -0.00932 -0.00170 75  TRP A CB  
916  C  CG  . TRP A 75  ? 0.16049 0.18880 0.10698 0.02128  -0.01147 0.01120  75  TRP A CG  
917  C  CD1 . TRP A 75  ? 0.16036 0.20411 0.11137 0.03252  -0.00284 0.01921  75  TRP A CD1 
918  C  CD2 . TRP A 75  ? 0.13350 0.18520 0.12591 0.00186  -0.00312 0.01356  75  TRP A CD2 
919  N  NE1 . TRP A 75  ? 0.15993 0.21759 0.13622 0.01383  -0.00427 0.03105  75  TRP A NE1 
920  C  CE2 . TRP A 75  ? 0.15252 0.17345 0.14535 -0.00613 -0.00654 0.00930  75  TRP A CE2 
921  C  CE3 . TRP A 75  ? 0.15852 0.18257 0.14902 0.00754  -0.01131 0.00659  75  TRP A CE3 
922  C  CZ2 . TRP A 75  ? 0.14370 0.18213 0.18111 -0.01278 -0.01231 0.01135  75  TRP A CZ2 
923  C  CZ3 . TRP A 75  ? 0.17743 0.19825 0.17198 0.01750  -0.04238 -0.00380 75  TRP A CZ3 
924  C  CH2 . TRP A 75  ? 0.16068 0.16865 0.20131 0.01229  -0.02179 -0.01520 75  TRP A CH2 
935  N  N   . THR A 76  ? 0.16169 0.15705 0.08963 -0.01759 -0.01752 0.00226  76  THR A N   
936  C  CA  . THR A 76  ? 0.15745 0.15622 0.07730 -0.00516 0.00928  -0.00602 76  THR A CA  
937  C  C   . THR A 76  ? 0.16374 0.15136 0.08680 -0.00654 -0.01493 -0.00390 76  THR A C   
938  O  O   . THR A 76  ? 0.17007 0.17783 0.09659 -0.01534 -0.02528 0.00837  76  THR A O   
939  C  CB  . THR A 76  ? 0.15601 0.17827 0.08562 -0.01284 0.00212  -0.00395 76  THR A CB  
940  O  OG1 . THR A 76  ? 0.16041 0.18543 0.07674 -0.00317 -0.01373 -0.00305 76  THR A OG1 
941  C  CG2 . THR A 76  ? 0.17481 0.16558 0.10572 -0.01184 -0.01909 0.00339  76  THR A CG2 
949  N  N   . VAL A 77  ? 0.15825 0.17713 0.08473 -0.01361 -0.02457 0.00398  77  VAL A N   
950  C  CA  . VAL A 77  ? 0.17699 0.16599 0.07048 -0.01690 -0.02497 0.01609  77  VAL A CA  
951  C  C   . VAL A 77  ? 0.17216 0.17754 0.08260 -0.00880 -0.02201 -0.00904 77  VAL A C   
952  O  O   . VAL A 77  ? 0.17041 0.19085 0.10222 -0.01606 -0.01054 -0.00657 77  VAL A O   
953  C  CB  . VAL A 77  ? 0.15421 0.18517 0.10249 -0.01418 -0.02967 0.00649  77  VAL A CB  
954  C  CG1 . VAL A 77  ? 0.20343 0.19377 0.10638 -0.00104 -0.05405 0.01760  77  VAL A CG1 
955  C  CG2 . VAL A 77  ? 0.15126 0.18317 0.13348 -0.01499 -0.02201 0.00285  77  VAL A CG2 
965  N  N   . ALA A 78  ? 0.16919 0.17685 0.07863 -0.01226 -0.00754 0.01015  78  ALA A N   
966  C  CA  . ALA A 78  ? 0.18604 0.17591 0.08202 -0.01819 -0.02514 0.00323  78  ALA A CA  
967  C  C   . ALA A 78  ? 0.17013 0.19364 0.07987 -0.01378 -0.00628 -0.00033 78  ALA A C   
968  O  O   . ALA A 78  ? 0.17877 0.19853 0.09756 -0.01767 -0.02665 -0.00661 78  ALA A O   
969  C  CB  . ALA A 78  ? 0.18677 0.19876 0.10552 -0.00090 -0.01486 -0.01191 78  ALA A CB  
975  N  N   . TRP A 79  ? 0.17267 0.18141 0.08475 -0.00061 -0.02675 -0.00914 79  TRP A N   
976  C  CA  . TRP A 79  ? 0.17979 0.18614 0.07296 -0.00795 -0.02575 0.00186  79  TRP A CA  
977  C  C   . TRP A 79  ? 0.18828 0.21127 0.07718 -0.00017 -0.02044 -0.00719 79  TRP A C   
978  O  O   . TRP A 79  ? 0.20397 0.19108 0.08395 -0.01221 -0.02347 -0.00680 79  TRP A O   
979  C  CB  . TRP A 79  ? 0.18340 0.19699 0.07851 -0.00115 -0.01732 -0.00078 79  TRP A CB  
980  C  CG  . TRP A 79  ? 0.17004 0.19659 0.08637 -0.01420 -0.01249 0.01706  79  TRP A CG  
981  C  CD1 . TRP A 79  ? 0.16920 0.18265 0.08667 0.01607  -0.00624 0.00760  79  TRP A CD1 
982  C  CD2 . TRP A 79  ? 0.16651 0.18128 0.08926 -0.01161 -0.01917 0.00805  79  TRP A CD2 
983  N  NE1 . TRP A 79  ? 0.18031 0.17181 0.09198 0.00149  -0.01394 -0.00891 79  TRP A NE1 
984  C  CE2 . TRP A 79  ? 0.18007 0.16881 0.08893 0.00023  -0.02862 0.00325  79  TRP A CE2 
985  C  CE3 . TRP A 79  ? 0.18249 0.20550 0.09997 -0.00507 -0.01647 0.01610  79  TRP A CE3 
986  C  CZ2 . TRP A 79  ? 0.18021 0.17406 0.10859 -0.00789 -0.03944 0.00417  79  TRP A CZ2 
987  C  CZ3 . TRP A 79  ? 0.18368 0.21369 0.09162 -0.00824 -0.02133 0.00489  79  TRP A CZ3 
988  C  CH2 . TRP A 79  ? 0.17141 0.19213 0.09721 -0.00735 -0.02439 0.00516  79  TRP A CH2 
999  N  N   . LYS A 80  ? 0.20324 0.19746 0.08950 -0.01913 -0.02364 -0.00382 80  LYS A N   
1000 C  CA  . LYS A 80  ? 0.19154 0.20710 0.09818 -0.00890 -0.03495 -0.03251 80  LYS A CA  
1001 C  C   . LYS A 80  ? 0.23030 0.18954 0.08674 -0.00268 -0.03494 -0.01751 80  LYS A C   
1002 O  O   . LYS A 80  ? 0.20475 0.20298 0.09575 -0.00521 -0.03318 -0.00901 80  LYS A O   
1003 C  CB  . LYS A 80  ? 0.20262 0.21438 0.11392 -0.00751 -0.02823 -0.01776 80  LYS A CB  
1004 C  CG  . LYS A 80  ? 0.25353 0.19524 0.13054 0.02107  -0.05044 -0.03501 80  LYS A CG  
1005 C  CD  . LYS A 80  ? 0.31226 0.24669 0.18101 -0.01193 -0.03081 -0.05503 80  LYS A CD  
1006 C  CE  . LYS A 80  ? 0.37440 0.25543 0.23314 -0.01560 -0.01639 -0.04835 80  LYS A CE  
1007 N  NZ  . LYS A 80  ? 0.44168 0.27538 0.25485 -0.04620 -0.02755 -0.04286 80  LYS A NZ  
1021 N  N   . ASN A 81  ? 0.22215 0.19789 0.09837 -0.01546 -0.02933 -0.01890 81  ASN A N   
1022 C  CA  . ASN A 81  ? 0.19510 0.21552 0.11211 -0.00451 -0.03323 -0.00766 81  ASN A CA  
1023 C  C   . ASN A 81  ? 0.23040 0.22791 0.12234 -0.02366 -0.05029 -0.00353 81  ASN A C   
1024 O  O   . ASN A 81  ? 0.22981 0.25427 0.12814 -0.01073 -0.05046 -0.03100 81  ASN A O   
1025 C  CB  . ASN A 81  ? 0.19455 0.24268 0.10814 -0.01862 -0.04524 -0.00027 81  ASN A CB  
1026 C  CG  . ASN A 81  ? 0.21595 0.23515 0.10047 -0.01183 -0.04914 -0.00714 81  ASN A CG  
1027 O  OD1 . ASN A 81  ? 0.23837 0.24301 0.09742 -0.00857 -0.04287 -0.00352 81  ASN A OD1 
1028 N  ND2 . ASN A 81  ? 0.21740 0.24078 0.11536 -0.00887 -0.05046 -0.01032 81  ASN A ND2 
1035 N  N   . ASN A 82  ? 0.22373 0.24772 0.13249 -0.02101 -0.05156 -0.00386 82  ASN A N   
1036 C  CA  . ASN A 82  ? 0.25755 0.28041 0.14120 -0.06094 -0.07815 -0.01572 82  ASN A CA  
1037 C  C   . ASN A 82  ? 0.25956 0.26771 0.12367 -0.02252 -0.07090 -0.02499 82  ASN A C   
1038 O  O   . ASN A 82  ? 0.38607 0.30752 0.13478 -0.04647 -0.08127 -0.01655 82  ASN A O   
1039 C  CB  . ASN A 82  ? 0.31920 0.37097 0.19065 -0.10913 -0.09024 0.00112  82  ASN A CB  
1040 C  CG  . ASN A 82  ? 0.45994 0.44774 0.28708 -0.12944 -0.04628 -0.00548 82  ASN A CG  
1041 O  OD1 . ASN A 82  ? 0.54195 0.42026 0.32998 -0.06129 -0.05941 0.03341  82  ASN A OD1 
1042 N  ND2 . ASN A 82  ? 0.56927 0.53652 0.31590 -0.09864 -0.01162 0.00534  82  ASN A ND2 
1049 N  N   . TYR A 83  ? 0.23704 0.26773 0.11768 -0.02662 -0.06014 -0.01616 83  TYR A N   
1050 C  CA  . TYR A 83  ? 0.25866 0.26788 0.11031 0.00599  -0.04363 -0.00096 83  TYR A CA  
1051 C  C   . TYR A 83  ? 0.23257 0.28190 0.09865 -0.00071 -0.02959 0.00032  83  TYR A C   
1052 O  O   . TYR A 83  ? 0.23857 0.32435 0.11077 -0.01065 -0.04936 0.02035  83  TYR A O   
1053 C  CB  . TYR A 83  ? 0.25002 0.28239 0.12840 0.01088  -0.03671 0.01080  83  TYR A CB  
1054 C  CG  . TYR A 83  ? 0.23403 0.33554 0.13792 0.01001  -0.06415 0.00816  83  TYR A CG  
1055 C  CD1 . TYR A 83  ? 0.24172 0.48933 0.16828 0.03783  -0.05750 0.00329  83  TYR A CD1 
1056 C  CD2 . TYR A 83  ? 0.24577 0.39936 0.15632 0.01307  -0.06943 0.01192  83  TYR A CD2 
1057 C  CE1 . TYR A 83  ? 0.25239 0.60924 0.21120 0.00789  -0.07162 -0.04619 83  TYR A CE1 
1058 C  CE2 . TYR A 83  ? 0.23314 0.54359 0.20095 0.03815  -0.02859 -0.02181 83  TYR A CE2 
1059 C  CZ  . TYR A 83  ? 0.20572 0.64043 0.24504 0.02387  -0.04327 -0.03245 83  TYR A CZ  
1060 O  OH  . TYR A 83  ? 0.24320 0.71666 0.30829 0.00073  -0.03215 -0.07160 83  TYR A OH  
1070 N  N   . ARG A 84  ? 0.24391 0.28886 0.09489 0.01706  -0.05124 0.00311  84  ARG A N   
1071 C  CA  . ARG A 84  ? 0.21019 0.31358 0.11315 -0.01074 -0.06177 -0.00562 84  ARG A CA  
1072 C  C   . ARG A 84  ? 0.22974 0.27906 0.09984 -0.02081 -0.04777 -0.00778 84  ARG A C   
1073 O  O   . ARG A 84  ? 0.24207 0.26660 0.11009 -0.02293 -0.04141 -0.01012 84  ARG A O   
1074 C  CB  . ARG A 84  ? 0.27472 0.36234 0.16140 -0.00377 -0.08687 -0.00805 84  ARG A CB  
1075 C  CG  . ARG A 84  ? 0.34178 0.33805 0.19146 -0.00570 -0.09890 -0.06022 84  ARG A CG  
1076 C  CD  . ARG A 84  ? 0.42162 0.35243 0.19740 -0.02186 -0.05269 -0.03673 84  ARG A CD  
1077 N  NE  . ARG A 84  ? 0.35407 0.39631 0.18596 -0.04397 -0.03788 0.01879  84  ARG A NE  
1078 C  CZ  . ARG A 84  ? 0.33909 0.44036 0.15740 -0.06011 0.00139  0.03639  84  ARG A CZ  
1079 N  NH1 . ARG A 84  ? 0.31112 0.42932 0.17015 -0.05461 -0.03969 0.01555  84  ARG A NH1 
1080 N  NH2 . ARG A 84  ? 0.34316 0.48375 0.16430 0.04549  -0.05390 0.01473  84  ARG A NH2 
1094 N  N   . ASN A 85  ? 0.22087 0.27876 0.08378 -0.00582 -0.04259 -0.01447 85  ASN A N   
1095 C  CA  . ASN A 85  ? 0.21735 0.25098 0.08860 -0.01846 -0.03800 0.00984  85  ASN A CA  
1096 C  C   . ASN A 85  ? 0.19803 0.27108 0.09204 -0.00603 -0.02182 0.00178  85  ASN A C   
1097 O  O   . ASN A 85  ? 0.23084 0.29065 0.10977 -0.02728 -0.02163 -0.01699 85  ASN A O   
1098 C  CB  . ASN A 85  ? 0.24079 0.22471 0.09831 -0.00553 -0.02688 -0.01072 85  ASN A CB  
1099 C  CG  . ASN A 85  ? 0.24314 0.22994 0.09276 0.00779  -0.03641 -0.00922 85  ASN A CG  
1100 O  OD1 . ASN A 85  ? 0.22893 0.22722 0.09819 -0.00941 -0.03613 -0.02202 85  ASN A OD1 
1101 N  ND2 . ASN A 85  ? 0.27170 0.24017 0.11181 -0.02393 -0.03268 -0.02738 85  ASN A ND2 
1108 N  N   . ALA A 86  ? 0.19628 0.23740 0.09148 -0.00063 -0.01847 -0.00465 86  ALA A N   
1109 C  CA  . ALA A 86  ? 0.19406 0.23012 0.09889 -0.00168 -0.02256 0.00586  86  ALA A CA  
1110 C  C   . ALA A 86  ? 0.19715 0.20329 0.11000 -0.00309 -0.01650 0.00616  86  ALA A C   
1111 O  O   . ALA A 86  ? 0.21901 0.22502 0.14636 -0.02357 -0.04682 0.01315  86  ALA A O   
1112 C  CB  . ALA A 86  ? 0.19585 0.25631 0.13893 -0.01493 0.00273  -0.00158 86  ALA A CB  
1118 N  N   . HIS A 87  ? 0.17936 0.21014 0.09606 0.00660  -0.01156 -0.00484 87  HIS A N   
1119 C  CA  . HIS A 87  ? 0.20650 0.20494 0.09809 0.00575  -0.01466 -0.03307 87  HIS A CA  
1120 C  C   . HIS A 87  ? 0.18365 0.18959 0.09446 -0.00603 -0.01456 -0.00153 87  HIS A C   
1121 O  O   . HIS A 87  ? 0.18792 0.21600 0.09367 0.00552  -0.01346 -0.01371 87  HIS A O   
1122 C  CB  . HIS A 87  ? 0.23252 0.22199 0.08752 -0.00112 -0.00931 -0.03261 87  HIS A CB  
1123 C  CG  . HIS A 87  ? 0.21952 0.26597 0.09470 -0.00459 -0.00651 -0.02627 87  HIS A CG  
1124 N  ND1 . HIS A 87  ? 0.23424 0.24986 0.10681 -0.00178 -0.01242 -0.04750 87  HIS A ND1 
1125 C  CD2 . HIS A 87  ? 0.26218 0.26186 0.09296 -0.02129 -0.00664 -0.03904 87  HIS A CD2 
1126 C  CE1 . HIS A 87  ? 0.23917 0.25753 0.10603 0.00962  -0.01779 -0.04317 87  HIS A CE1 
1127 N  NE2 . HIS A 87  ? 0.26492 0.26139 0.11340 -0.01935 -0.00250 -0.03551 87  HIS A NE2 
1134 N  N   . SER A 88  ? 0.18179 0.20420 0.07789 -0.01506 -0.00340 -0.00287 88  SER A N   
1135 C  CA  . SER A 88  ? 0.17630 0.17237 0.08698 -0.00334 -0.01203 -0.02255 88  SER A CA  
1136 C  C   . SER A 88  ? 0.16040 0.17272 0.09602 0.01010  -0.00389 -0.02044 88  SER A C   
1137 O  O   . SER A 88  ? 0.17191 0.18476 0.09118 -0.00221 -0.01575 -0.00899 88  SER A O   
1138 C  CB  . SER A 88  ? 0.18474 0.17921 0.09920 0.00564  -0.00788 0.00633  88  SER A CB  
1139 O  OG  . SER A 88  ? 0.18684 0.22624 0.11690 -0.00642 -0.02612 -0.00023 88  SER A OG  
1145 N  N   . ALA A 89  ? 0.17893 0.16328 0.07421 -0.01207 -0.00311 -0.01584 89  ALA A N   
1146 C  CA  . ALA A 89  ? 0.16540 0.15632 0.07042 -0.01069 -0.00836 -0.00951 89  ALA A CA  
1147 C  C   . ALA A 89  ? 0.15316 0.16430 0.07818 0.00428  -0.02374 -0.01401 89  ALA A C   
1148 O  O   . ALA A 89  ? 0.15622 0.16281 0.09950 -0.00110 -0.00699 -0.01694 89  ALA A O   
1149 C  CB  . ALA A 89  ? 0.19895 0.15156 0.11202 -0.00453 0.00861  -0.01021 89  ALA A CB  
1155 N  N   . THR A 90  ? 0.14759 0.15480 0.08688 0.00716  -0.01281 -0.01088 90  THR A N   
1156 C  CA  . THR A 90  ? 0.15247 0.15267 0.07846 -0.00424 -0.01365 0.00824  90  THR A CA  
1157 C  C   . THR A 90  ? 0.14516 0.15164 0.07665 -0.00158 -0.01135 -0.00483 90  THR A C   
1158 O  O   . THR A 90  ? 0.15563 0.16743 0.07810 -0.00242 -0.02275 -0.00181 90  THR A O   
1159 C  CB  . THR A 90  ? 0.15111 0.14480 0.07561 -0.00286 -0.01570 0.00455  90  THR A CB  
1160 O  OG1 . THR A 90  ? 0.16656 0.16149 0.07150 -0.00465 -0.01189 0.00367  90  THR A OG1 
1161 C  CG2 . THR A 90  ? 0.16980 0.15924 0.08070 0.02512  -0.00963 0.01083  90  THR A CG2 
1169 N  N   . THR A 91  ? 0.14646 0.15504 0.07069 -0.00389 -0.00819 0.00046  91  THR A N   
1170 C  CA  . THR A 91  ? 0.14130 0.16155 0.07382 -0.01227 -0.01795 0.01199  91  THR A CA  
1171 C  C   . THR A 91  ? 0.14759 0.14466 0.08361 -0.00993 -0.00007 0.00755  91  THR A C   
1172 O  O   . THR A 91  ? 0.16255 0.15666 0.10561 0.00118  0.00995  -0.00099 91  THR A O   
1173 C  CB  . THR A 91  ? 0.15940 0.15996 0.08424 -0.00507 0.01075  0.00853  91  THR A CB  
1174 O  OG1 . THR A 91  ? 0.15370 0.17665 0.09708 0.00550  -0.01931 0.00976  91  THR A OG1 
1175 C  CG2 . THR A 91  ? 0.16267 0.15764 0.11911 -0.00310 0.00020  0.01503  91  THR A CG2 
1183 N  N   . TRP A 92  ? 0.13305 0.15773 0.08634 -0.00646 -0.00961 0.00677  92  TRP A N   
1184 C  CA  . TRP A 92  ? 0.13817 0.14478 0.08121 -0.00094 0.00180  -0.00582 92  TRP A CA  
1185 C  C   . TRP A 92  ? 0.12934 0.16267 0.09333 0.01901  -0.00078 -0.00778 92  TRP A C   
1186 O  O   . TRP A 92  ? 0.15789 0.15702 0.08987 -0.00395 -0.00327 0.00932  92  TRP A O   
1187 C  CB  . TRP A 92  ? 0.15103 0.15136 0.09944 0.00621  0.00130  0.01041  92  TRP A CB  
1188 C  CG  . TRP A 92  ? 0.14521 0.15175 0.09572 0.01063  -0.00409 0.00758  92  TRP A CG  
1189 C  CD1 . TRP A 92  ? 0.14872 0.14755 0.10727 0.00610  -0.00938 0.00098  92  TRP A CD1 
1190 C  CD2 . TRP A 92  ? 0.15132 0.14988 0.08710 -0.00507 -0.00627 0.00868  92  TRP A CD2 
1191 N  NE1 . TRP A 92  ? 0.15655 0.16201 0.10144 0.00797  -0.02054 0.01901  92  TRP A NE1 
1192 C  CE2 . TRP A 92  ? 0.13973 0.17918 0.10425 0.00998  -0.00998 0.00355  92  TRP A CE2 
1193 C  CE3 . TRP A 92  ? 0.15758 0.19442 0.08519 -0.01223 -0.01110 0.00457  92  TRP A CE3 
1194 C  CZ2 . TRP A 92  ? 0.15101 0.19249 0.10206 0.00578  -0.01287 0.00822  92  TRP A CZ2 
1195 C  CZ3 . TRP A 92  ? 0.14956 0.19025 0.10121 0.00393  -0.01833 0.00977  92  TRP A CZ3 
1196 C  CH2 . TRP A 92  ? 0.16067 0.21315 0.08583 0.00065  -0.01170 -0.02508 92  TRP A CH2 
1207 N  N   . SER A 93  ? 0.14151 0.16681 0.08596 -0.00442 -0.00019 0.00383  93  SER A N   
1208 C  CA  . SER A 93  ? 0.14488 0.15745 0.08484 0.00175  -0.00189 -0.00195 93  SER A CA  
1209 C  C   . SER A 93  ? 0.15506 0.18297 0.07814 -0.00155 0.00766  0.00678  93  SER A C   
1210 O  O   . SER A 93  ? 0.16052 0.16668 0.08754 0.00523  0.00824  0.00102  93  SER A O   
1211 C  CB  . SER A 93  ? 0.15422 0.18366 0.08577 0.00641  0.00124  0.00514  93  SER A CB  
1212 O  OG  . SER A 93  ? 0.16606 0.22645 0.07938 0.03571  -0.00631 0.00097  93  SER A OG  
1218 N  N   . GLY A 94  ? 0.15795 0.17459 0.08846 0.00917  -0.00082 0.00176  94  GLY A N   
1219 C  CA  . GLY A 94  ? 0.15987 0.16481 0.09438 0.01150  0.00474  0.00227  94  GLY A CA  
1220 C  C   . GLY A 94  ? 0.15035 0.20014 0.08580 0.01413  0.00432  0.00095  94  GLY A C   
1221 O  O   . GLY A 94  ? 0.16465 0.20841 0.08549 0.01288  0.01558  0.00876  94  GLY A O   
1225 N  N   . GLN A 95  ? 0.16861 0.20126 0.09563 0.02836  0.01659  0.01144  95  GLN A N   
1226 C  CA  . GLN A 95  ? 0.15467 0.22308 0.09406 0.02605  0.01725  0.00614  95  GLN A CA  
1227 C  C   . GLN A 95  ? 0.18284 0.17651 0.11606 0.01671  0.02113  0.01642  95  GLN A C   
1228 O  O   . GLN A 95  ? 0.17402 0.20874 0.12902 0.02168  0.02230  0.00931  95  GLN A O   
1229 C  CB  . GLN A 95  ? 0.19004 0.29048 0.10976 -0.00840 0.03360  0.00678  95  GLN A CB  
1230 C  CG  . GLN A 95  ? 0.22682 0.26091 0.11914 0.00277  0.04196  -0.00006 95  GLN A CG  
1231 C  CD  . GLN A 95  ? 0.22576 0.22325 0.13521 -0.00585 0.02192  -0.03661 95  GLN A CD  
1232 O  OE1 . GLN A 95  ? 0.20826 0.23586 0.12668 0.00748  0.02334  -0.02174 95  GLN A OE1 
1233 N  NE2 . GLN A 95  ? 0.22437 0.24949 0.15757 -0.02642 0.03208  -0.02702 95  GLN A NE2 
1242 N  N   . TYR A 96  ? 0.16993 0.19727 0.14016 0.01288  0.03525  0.02300  96  TYR A N   
1243 C  CA  . TYR A 96  ? 0.15236 0.20317 0.12452 0.01119  0.02487  0.01068  96  TYR A CA  
1244 C  C   . TYR A 96  ? 0.19163 0.22284 0.12423 0.01663  0.02428  0.02757  96  TYR A C   
1245 O  O   . TYR A 96  ? 0.18966 0.23731 0.13621 0.03504  0.02347  0.00310  96  TYR A O   
1246 C  CB  . TYR A 96  ? 0.17745 0.24251 0.13192 0.01824  0.02131  -0.00158 96  TYR A CB  
1247 C  CG  . TYR A 96  ? 0.15669 0.25033 0.14910 0.00076  0.01457  -0.00890 96  TYR A CG  
1248 C  CD1 . TYR A 96  ? 0.16365 0.28008 0.17476 0.02429  0.00865  -0.01437 96  TYR A CD1 
1249 C  CD2 . TYR A 96  ? 0.20304 0.30527 0.17293 0.01598  0.04957  0.02340  96  TYR A CD2 
1250 C  CE1 . TYR A 96  ? 0.17592 0.32266 0.21413 0.03933  0.02033  -0.03303 96  TYR A CE1 
1251 C  CE2 . TYR A 96  ? 0.20391 0.33912 0.21538 -0.00419 0.07017  -0.00432 96  TYR A CE2 
1252 C  CZ  . TYR A 96  ? 0.18659 0.34194 0.24518 0.02530  0.04875  -0.05167 96  TYR A CZ  
1253 O  OH  . TYR A 96  ? 0.18614 0.47393 0.29471 0.01705  0.05258  -0.08480 96  TYR A OH  
1263 N  N   . VAL A 97  ? 0.19252 0.23599 0.14635 0.03021  0.00503  -0.00684 97  VAL A N   
1264 C  CA  . VAL A 97  ? 0.22301 0.25263 0.18608 0.04084  0.00620  -0.03287 97  VAL A CA  
1265 C  C   . VAL A 97  ? 0.22513 0.28974 0.19462 0.06055  0.02429  -0.02830 97  VAL A C   
1266 O  O   . VAL A 97  ? 0.21964 0.37752 0.20205 0.10500  0.02221  0.00829  97  VAL A O   
1267 C  CB  . VAL A 97  ? 0.21498 0.29098 0.25371 0.05989  -0.04284 -0.06381 97  VAL A CB  
1268 C  CG1 . VAL A 97  ? 0.38024 0.29118 0.26850 0.04939  -0.06652 -0.05541 97  VAL A CG1 
1269 C  CG2 . VAL A 97  ? 0.27921 0.31368 0.28927 -0.02475 -0.06136 -0.05692 97  VAL A CG2 
1279 N  N   . GLY A 98  ? 0.24481 0.35740 0.23790 0.08945  0.06897  0.01428  98  GLY A N   
1280 C  CA  . GLY A 98  ? 0.26614 0.43065 0.31578 0.07146  0.11999  -0.01514 98  GLY A CA  
1281 C  C   . GLY A 98  ? 0.33927 0.47605 0.37494 0.13039  0.13323  -0.06125 98  GLY A C   
1282 O  O   . GLY A 98  ? 0.42480 0.41139 0.40199 0.12191  0.12502  -0.08372 98  GLY A O   
1286 N  N   . GLY A 99  ? 0.38886 0.53056 0.40699 0.13080  0.09141  -0.05806 99  GLY A N   
1287 C  CA  . GLY A 99  ? 0.40830 0.57965 0.42763 0.16468  0.07727  -0.05129 99  GLY A CA  
1288 C  C   . GLY A 99  ? 0.37215 0.58641 0.43853 0.19564  0.10308  -0.05096 99  GLY A C   
1289 O  O   . GLY A 99  ? 0.33509 0.63945 0.44245 0.16228  0.09204  -0.02300 99  GLY A O   
1293 N  N   . ALA A 100 ? 0.42522 0.58837 0.44728 0.24205  0.11407  -0.05279 100 ALA A N   
1294 C  CA  . ALA A 100 ? 0.50295 0.54565 0.44296 0.27629  0.08517  -0.05876 100 ALA A CA  
1295 C  C   . ALA A 100 ? 0.55723 0.55579 0.44233 0.27186  0.06628  -0.03667 100 ALA A C   
1296 O  O   . ALA A 100 ? 0.61176 0.61630 0.45620 0.26681  0.06901  -0.03291 100 ALA A O   
1297 C  CB  . ALA A 100 ? 0.53313 0.57125 0.44411 0.28094  0.06805  -0.08517 100 ALA A CB  
1303 N  N   . GLN A 101 ? 0.45022 0.49379 0.42188 0.24236  0.07717  -0.04170 101 GLN A N   
1304 C  CA  . GLN A 101 ? 0.49069 0.48025 0.41274 0.25719  0.06325  -0.05546 101 GLN A CA  
1305 C  C   . GLN A 101 ? 0.42867 0.38344 0.36836 0.19282  0.02996  -0.06764 101 GLN A C   
1306 O  O   . GLN A 101 ? 0.47830 0.34270 0.37290 0.14722  -0.00596 -0.07569 101 GLN A O   
1307 C  CB  . GLN A 101 ? 0.59533 0.56881 0.44835 0.26927  0.06915  -0.04053 101 GLN A CB  
1308 C  CG  . GLN A 101 ? 0.69408 0.72015 0.47289 0.22536  0.05631  -0.01687 101 GLN A CG  
1309 C  CD  . GLN A 101 ? 0.75394 0.80052 0.49249 0.20582  0.04523  -0.00094 101 GLN A CD  
1310 O  OE1 . GLN A 101 ? 0.79142 0.82855 0.50345 0.17946  0.03543  0.00054  101 GLN A OE1 
1311 N  NE2 . GLN A 101 ? 0.75213 0.80574 0.49742 0.24340  0.04702  0.00294  101 GLN A NE2 
1320 N  N   . ALA A 102 ? 0.29338 0.38278 0.31089 0.17124  0.00911  -0.05886 102 ALA A N   
1321 C  CA  . ALA A 102 ? 0.21622 0.31327 0.26080 0.11014  0.01170  -0.04119 102 ALA A CA  
1322 C  C   . ALA A 102 ? 0.22754 0.28358 0.20102 0.09899  0.00631  -0.03481 102 ALA A C   
1323 O  O   . ALA A 102 ? 0.24003 0.30139 0.21163 0.09354  0.00550  -0.01305 102 ALA A O   
1324 C  CB  . ALA A 102 ? 0.24609 0.37890 0.27127 0.02676  0.05238  -0.04871 102 ALA A CB  
1330 N  N   . ARG A 103 ? 0.19370 0.24596 0.18095 0.05630  0.00479  -0.02367 103 ARG A N   
1331 C  CA  A ARG A 103 ? 0.20498 0.24700 0.18580 0.02093  0.01372  -0.01366 103 ARG A CA  
1332 C  CA  B ARG A 103 ? 0.19790 0.19248 0.18761 0.03488  0.01088  -0.00891 103 ARG A CA  
1333 C  C   . ARG A 103 ? 0.17703 0.21927 0.16189 0.03200  -0.00154 -0.01341 103 ARG A C   
1334 O  O   . ARG A 103 ? 0.20023 0.27510 0.16696 0.06332  0.02306  -0.00015 103 ARG A O   
1335 C  CB  A ARG A 103 ? 0.32180 0.35947 0.24240 0.00236  -0.03139 -0.01436 103 ARG A CB  
1336 C  CB  B ARG A 103 ? 0.34943 0.20490 0.24503 0.10089  0.00272  -0.00751 103 ARG A CB  
1337 C  CG  A ARG A 103 ? 0.42119 0.44438 0.29653 0.02556  -0.01972 0.01558  103 ARG A CG  
1338 C  CG  B ARG A 103 ? 0.33511 0.27379 0.27696 0.10900  0.02086  0.03534  103 ARG A CG  
1339 C  CD  A ARG A 103 ? 0.47270 0.47004 0.32056 0.03728  -0.03542 0.02105  103 ARG A CD  
1340 C  CD  B ARG A 103 ? 0.37384 0.32942 0.30920 0.05392  0.00185  0.00566  103 ARG A CD  
1341 N  NE  A ARG A 103 ? 0.55239 0.48967 0.32897 -0.00051 -0.04644 -0.00227 103 ARG A NE  
1342 N  NE  B ARG A 103 ? 0.38018 0.35168 0.32661 0.06724  0.00999  -0.03516 103 ARG A NE  
1343 C  CZ  A ARG A 103 ? 0.55131 0.41792 0.32872 0.04461  -0.05060 -0.00488 103 ARG A CZ  
1344 C  CZ  B ARG A 103 ? 0.45813 0.37280 0.34603 0.07055  -0.00428 -0.04344 103 ARG A CZ  
1345 N  NH1 A ARG A 103 ? 0.52166 0.34086 0.32614 0.04611  -0.02590 -0.03564 103 ARG A NH1 
1346 N  NH1 B ARG A 103 ? 0.52426 0.45811 0.35429 0.01647  -0.01255 -0.02213 103 ARG A NH1 
1347 N  NH2 A ARG A 103 ? 0.52480 0.39768 0.33026 0.14843  -0.08436 -0.00128 103 ARG A NH2 
1348 N  NH2 B ARG A 103 ? 0.53366 0.43997 0.36325 0.04517  0.01901  -0.04223 103 ARG A NH2 
1375 N  N   . ILE A 104 ? 0.15807 0.21885 0.14676 0.04060  0.00146  0.00410  104 ILE A N   
1376 C  CA  . ILE A 104 ? 0.15842 0.19729 0.15610 0.02984  0.00254  0.01236  104 ILE A CA  
1377 C  C   . ILE A 104 ? 0.16995 0.20250 0.13226 0.03531  0.00447  0.01453  104 ILE A C   
1378 O  O   . ILE A 104 ? 0.16413 0.23431 0.14367 0.03188  -0.01170 0.02260  104 ILE A O   
1379 C  CB  . ILE A 104 ? 0.17660 0.19631 0.15270 0.03270  0.02079  0.01934  104 ILE A CB  
1380 C  CG1 . ILE A 104 ? 0.18270 0.22887 0.16756 0.03117  0.00091  -0.00463 104 ILE A CG1 
1381 C  CG2 . ILE A 104 ? 0.20289 0.19957 0.17824 0.02506  0.03088  0.02587  104 ILE A CG2 
1382 C  CD1 . ILE A 104 ? 0.19363 0.25270 0.20125 0.03301  -0.02798 -0.01822 104 ILE A CD1 
1394 N  N   . ASN A 105 ? 0.16581 0.18855 0.12457 0.02322  0.00791  0.00826  105 ASN A N   
1395 C  CA  . ASN A 105 ? 0.16027 0.16391 0.11512 0.01260  0.00209  0.00408  105 ASN A CA  
1396 C  C   . ASN A 105 ? 0.15284 0.20102 0.09366 0.02760  -0.01342 0.00297  105 ASN A C   
1397 O  O   . ASN A 105 ? 0.17619 0.20333 0.10515 0.04002  0.01665  0.02448  105 ASN A O   
1398 C  CB  . ASN A 105 ? 0.19348 0.18039 0.14247 0.02469  0.00592  -0.01749 105 ASN A CB  
1399 C  CG  . ASN A 105 ? 0.27162 0.23480 0.17741 0.08759  -0.03589 -0.04508 105 ASN A CG  
1400 O  OD1 . ASN A 105 ? 0.35917 0.27721 0.20359 0.13135  -0.02382 -0.01458 105 ASN A OD1 
1401 N  ND2 . ASN A 105 ? 0.34300 0.29727 0.20388 0.11905  -0.03559 -0.08462 105 ASN A ND2 
1408 N  N   . THR A 106 ? 0.14711 0.17361 0.09128 0.00468  0.00064  -0.00087 106 THR A N   
1409 C  CA  . THR A 106 ? 0.12958 0.17246 0.08550 0.02307  -0.00095 0.00285  106 THR A CA  
1410 C  C   . THR A 106 ? 0.15309 0.16842 0.08482 0.00285  0.00053  -0.00543 106 THR A C   
1411 O  O   . THR A 106 ? 0.15682 0.15389 0.11318 0.01251  0.00239  0.00644  106 THR A O   
1412 C  CB  . THR A 106 ? 0.15928 0.16830 0.08997 0.01478  -0.00189 -0.00091 106 THR A CB  
1413 O  OG1 . THR A 106 ? 0.16517 0.18438 0.09321 -0.00245 -0.01690 -0.01348 106 THR A OG1 
1414 C  CG2 . THR A 106 ? 0.14121 0.20464 0.11613 0.00123  0.00261  -0.00664 106 THR A CG2 
1422 N  N   . GLN A 107 ? 0.13307 0.15259 0.08369 0.02384  0.00324  0.00058  107 GLN A N   
1423 C  CA  . GLN A 107 ? 0.13782 0.16088 0.09207 0.00326  0.00463  -0.01380 107 GLN A CA  
1424 C  C   . GLN A 107 ? 0.13020 0.15893 0.07972 0.01099  -0.00372 0.00675  107 GLN A C   
1425 O  O   . GLN A 107 ? 0.17449 0.15586 0.09596 0.00591  0.01274  0.00247  107 GLN A O   
1426 C  CB  . GLN A 107 ? 0.14195 0.23596 0.12165 0.00413  -0.00259 -0.06239 107 GLN A CB  
1427 C  CG  . GLN A 107 ? 0.19982 0.26063 0.14128 -0.01577 0.00999  -0.06131 107 GLN A CG  
1428 C  CD  . GLN A 107 ? 0.14537 0.30065 0.14229 -0.02347 0.00611  -0.02966 107 GLN A CD  
1429 O  OE1 . GLN A 107 ? 0.21502 0.33409 0.15271 -0.06792 -0.02366 -0.04887 107 GLN A OE1 
1430 N  NE2 . GLN A 107 ? 0.19149 0.22575 0.12669 -0.02213 -0.00112 0.00532  107 GLN A NE2 
1439 N  N   . TRP A 108 ? 0.12946 0.14513 0.08918 0.00307  -0.01151 -0.00172 108 TRP A N   
1440 C  CA  . TRP A 108 ? 0.13209 0.15157 0.08395 -0.01033 -0.01416 0.00041  108 TRP A CA  
1441 C  C   . TRP A 108 ? 0.14223 0.14164 0.08057 -0.00388 -0.00252 0.00774  108 TRP A C   
1442 O  O   . TRP A 108 ? 0.14174 0.15039 0.06889 0.00974  -0.00171 0.00929  108 TRP A O   
1443 C  CB  . TRP A 108 ? 0.13800 0.15057 0.08933 0.00243  -0.01189 0.00472  108 TRP A CB  
1444 C  CG  . TRP A 108 ? 0.12420 0.14749 0.09150 0.01147  -0.02246 -0.01106 108 TRP A CG  
1445 C  CD1 . TRP A 108 ? 0.14955 0.15523 0.09829 0.01138  -0.00574 -0.00161 108 TRP A CD1 
1446 C  CD2 . TRP A 108 ? 0.14855 0.15118 0.07136 0.00857  -0.01310 0.00358  108 TRP A CD2 
1447 N  NE1 . TRP A 108 ? 0.15906 0.14288 0.09553 0.00493  -0.01242 -0.00639 108 TRP A NE1 
1448 C  CE2 . TRP A 108 ? 0.14178 0.16216 0.08626 -0.00355 -0.01815 -0.01320 108 TRP A CE2 
1449 C  CE3 . TRP A 108 ? 0.15769 0.16701 0.07465 -0.00753 -0.00940 -0.00019 108 TRP A CE3 
1450 C  CZ2 . TRP A 108 ? 0.17118 0.15737 0.08439 -0.01440 0.00284  0.00267  108 TRP A CZ2 
1451 C  CZ3 . TRP A 108 ? 0.15579 0.18015 0.07375 -0.00589 -0.02167 -0.00595 108 TRP A CZ3 
1452 C  CH2 . TRP A 108 ? 0.17358 0.17754 0.08115 -0.00194 -0.01228 0.01772  108 TRP A CH2 
1463 N  N   . LEU A 109 ? 0.14462 0.13924 0.08718 -0.01614 -0.00597 0.00524  109 LEU A N   
1464 C  CA  . LEU A 109 ? 0.13241 0.14887 0.07948 0.00004  -0.00334 0.00576  109 LEU A CA  
1465 C  C   . LEU A 109 ? 0.14805 0.13523 0.07374 0.00226  -0.00986 0.00181  109 LEU A C   
1466 O  O   . LEU A 109 ? 0.16350 0.16240 0.08179 -0.01783 -0.00033 -0.00059 109 LEU A O   
1467 C  CB  . LEU A 109 ? 0.16014 0.13809 0.07877 -0.01101 0.00086  0.00443  109 LEU A CB  
1468 C  CG  . LEU A 109 ? 0.13197 0.17334 0.08398 0.00209  -0.00552 0.00106  109 LEU A CG  
1469 C  CD1 . LEU A 109 ? 0.18352 0.18384 0.09126 0.02957  -0.01569 0.01345  109 LEU A CD1 
1470 C  CD2 . LEU A 109 ? 0.15991 0.18933 0.10567 0.01768  -0.02042 -0.00270 109 LEU A CD2 
1482 N  N   . LEU A 110 ? 0.15489 0.14926 0.06511 0.00170  -0.00867 0.00684  110 LEU A N   
1483 C  CA  A LEU A 110 ? 0.15948 0.15886 0.06016 0.01227  0.00846  -0.00469 110 LEU A CA  
1484 C  CA  B LEU A 110 ? 0.15550 0.14189 0.07572 -0.00603 -0.02809 0.01213  110 LEU A CA  
1485 C  C   . LEU A 110 ? 0.14762 0.16936 0.08219 -0.00745 -0.00432 -0.00449 110 LEU A C   
1486 O  O   . LEU A 110 ? 0.14831 0.16213 0.10128 0.00414  0.01097  -0.00373 110 LEU A O   
1487 C  CB  A LEU A 110 ? 0.18709 0.20864 0.07283 0.03252  0.01116  -0.00667 110 LEU A CB  
1488 C  CB  B LEU A 110 ? 0.14697 0.10680 0.09687 -0.02191 -0.04764 0.00328  110 LEU A CB  
1489 C  CG  A LEU A 110 ? 0.17210 0.16991 0.07128 0.00332  0.00454  -0.00355 110 LEU A CG  
1490 C  CG  B LEU A 110 ? 0.16029 0.16689 0.10053 -0.03111 -0.04482 0.00646  110 LEU A CG  
1491 C  CD1 A LEU A 110 ? 0.19547 0.17219 0.07901 -0.00725 -0.01665 -0.01185 110 LEU A CD1 
1492 C  CD1 B LEU A 110 ? 0.18542 0.21852 0.08642 -0.02684 -0.05233 0.01325  110 LEU A CD1 
1493 C  CD2 A LEU A 110 ? 0.14961 0.18521 0.09814 -0.02578 -0.02199 -0.00030 110 LEU A CD2 
1494 C  CD2 B LEU A 110 ? 0.21798 0.20374 0.10676 -0.01305 -0.02205 0.00461  110 LEU A CD2 
1517 N  N   . THR A 111 ? 0.16461 0.15509 0.08086 -0.00359 0.00524  -0.01282 111 THR A N   
1518 C  CA  . THR A 111 ? 0.16298 0.14853 0.07504 -0.00290 -0.01280 0.00444  111 THR A CA  
1519 C  C   . THR A 111 ? 0.17480 0.15127 0.08540 -0.00678 -0.01649 -0.00302 111 THR A C   
1520 O  O   . THR A 111 ? 0.17319 0.17202 0.09190 -0.01050 -0.00062 -0.01474 111 THR A O   
1521 C  CB  . THR A 111 ? 0.18153 0.18164 0.08015 -0.00375 -0.00437 -0.01994 111 THR A CB  
1522 O  OG1 . THR A 111 ? 0.18448 0.16548 0.09253 0.02381  -0.02207 0.00548  111 THR A OG1 
1523 C  CG2 . THR A 111 ? 0.17672 0.19148 0.10724 0.00253  0.00693  -0.00686 111 THR A CG2 
1531 N  N   . SER A 112 ? 0.16944 0.17206 0.07731 -0.00647 -0.00045 -0.01688 112 SER A N   
1532 C  CA  . SER A 112 ? 0.19168 0.18107 0.07986 -0.00464 -0.00124 -0.02469 112 SER A CA  
1533 C  C   . SER A 112 ? 0.19906 0.19678 0.09479 0.01692  -0.00284 -0.04862 112 SER A C   
1534 O  O   . SER A 112 ? 0.19878 0.24447 0.12789 0.01766  -0.00135 -0.05995 112 SER A O   
1535 C  CB  . SER A 112 ? 0.24022 0.21358 0.09588 -0.01249 -0.00713 0.00026  112 SER A CB  
1536 O  OG  . SER A 112 ? 0.28423 0.20648 0.11730 -0.00613 -0.03536 0.01394  112 SER A OG  
1542 N  N   . GLY A 113 ? 0.19389 0.20587 0.10420 0.00099  0.00390  -0.04652 113 GLY A N   
1543 C  CA  . GLY A 113 ? 0.19251 0.18977 0.13339 0.01782  0.01942  -0.04614 113 GLY A CA  
1544 C  C   . GLY A 113 ? 0.20976 0.25868 0.11657 0.03042  0.01357  -0.04951 113 GLY A C   
1545 O  O   . GLY A 113 ? 0.25058 0.32172 0.13209 0.02841  0.03187  -0.01369 113 GLY A O   
1549 N  N   . THR A 114 ? 0.21784 0.20905 0.11857 0.01610  0.02885  -0.02540 114 THR A N   
1550 C  CA  . THR A 114 ? 0.24067 0.20624 0.13139 0.01136  0.04123  -0.03693 114 THR A CA  
1551 C  C   . THR A 114 ? 0.25011 0.21377 0.14791 0.01052  0.03562  -0.04951 114 THR A C   
1552 O  O   . THR A 114 ? 0.24196 0.21992 0.17050 0.02823  0.02894  -0.04397 114 THR A O   
1553 C  CB  . THR A 114 ? 0.23755 0.19700 0.14524 0.00379  0.02806  -0.05038 114 THR A CB  
1554 O  OG1 . THR A 114 ? 0.21276 0.22067 0.15261 -0.00910 0.03099  -0.04204 114 THR A OG1 
1555 C  CG2 . THR A 114 ? 0.27389 0.19315 0.16887 0.02298  0.04597  -0.03061 114 THR A CG2 
1563 N  N   . THR A 115 ? 0.23479 0.22847 0.16540 0.00840  0.06197  -0.05642 115 THR A N   
1564 C  CA  . THR A 115 ? 0.25647 0.23190 0.20454 -0.00557 0.07732  -0.07098 115 THR A CA  
1565 C  C   . THR A 115 ? 0.24940 0.20293 0.22646 0.02818  0.06879  -0.04549 115 THR A C   
1566 O  O   . THR A 115 ? 0.23825 0.20867 0.21256 0.01301  0.04927  -0.05241 115 THR A O   
1567 C  CB  . THR A 115 ? 0.29835 0.35152 0.21417 -0.02817 0.10122  -0.09645 115 THR A CB  
1568 O  OG1 . THR A 115 ? 0.34656 0.37967 0.21311 -0.04999 0.13245  -0.03461 115 THR A OG1 
1569 C  CG2 . THR A 115 ? 0.36624 0.41723 0.21739 0.00678  0.09616  -0.12585 115 THR A CG2 
1577 N  N   . GLU A 116 ? 0.24428 0.24407 0.28348 0.02587  0.03996  -0.06874 116 GLU A N   
1578 C  CA  . GLU A 116 ? 0.26098 0.24686 0.33114 0.06004  0.03866  -0.06890 116 GLU A CA  
1579 C  C   . GLU A 116 ? 0.24610 0.23057 0.30006 0.01765  0.04422  -0.09852 116 GLU A C   
1580 O  O   . GLU A 116 ? 0.22292 0.29072 0.28450 0.02070  0.02727  -0.09797 116 GLU A O   
1581 C  CB  . GLU A 116 ? 0.37690 0.28410 0.40365 0.11754  0.01783  -0.02076 116 GLU A CB  
1582 C  CG  . GLU A 116 ? 0.45928 0.44966 0.43882 0.14145  -0.02617 0.02453  116 GLU A CG  
1583 C  CD  . GLU A 116 ? 0.49813 0.65018 0.46774 0.03222  -0.06266 0.03037  116 GLU A CD  
1584 O  OE1 . GLU A 116 ? 0.53595 0.69999 0.48355 -0.08148 -0.05665 0.07078  116 GLU A OE1 
1585 O  OE2 . GLU A 116 ? 0.57519 0.72547 0.47371 0.01710  -0.11951 0.01462  116 GLU A OE2 
1592 N  N   . ALA A 117 ? 0.23680 0.31299 0.29514 -0.00067 0.07676  -0.12729 117 ALA A N   
1593 C  CA  . ALA A 117 ? 0.26651 0.33685 0.28758 -0.02984 0.12186  -0.12415 117 ALA A CA  
1594 C  C   . ALA A 117 ? 0.26270 0.29548 0.25683 -0.05338 0.11847  -0.12296 117 ALA A C   
1595 O  O   . ALA A 117 ? 0.29476 0.31677 0.29442 -0.04409 0.10979  -0.12092 117 ALA A O   
1596 C  CB  . ALA A 117 ? 0.34471 0.37024 0.29821 -0.02479 0.16421  -0.10872 117 ALA A CB  
1602 N  N   . ASN A 118 ? 0.27445 0.24142 0.20196 -0.03876 0.09669  -0.05900 118 ASN A N   
1603 C  CA  . ASN A 118 ? 0.30070 0.23212 0.14307 -0.02951 0.07165  -0.04119 118 ASN A CA  
1604 C  C   . ASN A 118 ? 0.22138 0.22633 0.13869 0.01428  0.04574  -0.02422 118 ASN A C   
1605 O  O   . ASN A 118 ? 0.22391 0.20577 0.12018 0.00713  0.02764  -0.01548 118 ASN A O   
1606 C  CB  . ASN A 118 ? 0.36391 0.29806 0.12186 -0.04307 0.04966  -0.01368 118 ASN A CB  
1607 C  CG  . ASN A 118 ? 0.45642 0.35093 0.15090 -0.11000 0.07095  -0.01888 118 ASN A CG  
1608 O  OD1 . ASN A 118 ? 0.49561 0.40532 0.18945 -0.14113 0.09059  -0.00992 118 ASN A OD1 
1609 N  ND2 . ASN A 118 ? 0.52629 0.40386 0.15369 -0.11569 0.03616  -0.01102 118 ASN A ND2 
1616 N  N   . ALA A 119 ? 0.20261 0.19922 0.14832 0.02469  0.02970  -0.02639 119 ALA A N   
1617 C  CA  . ALA A 119 ? 0.20935 0.18059 0.13109 0.00660  0.03418  -0.01599 119 ALA A CA  
1618 C  C   . ALA A 119 ? 0.16444 0.19577 0.11169 0.01033  0.03266  -0.01113 119 ALA A C   
1619 O  O   . ALA A 119 ? 0.18365 0.21293 0.12873 0.00519  0.02492  -0.03005 119 ALA A O   
1620 C  CB  . ALA A 119 ? 0.28487 0.18479 0.15873 0.02105  0.01895  -0.00465 119 ALA A CB  
1626 N  N   . TRP A 120 ? 0.17536 0.21760 0.11802 0.01649  0.02529  -0.01440 120 TRP A N   
1627 C  CA  . TRP A 120 ? 0.16878 0.20737 0.11759 0.01136  0.02094  -0.01435 120 TRP A CA  
1628 C  C   . TRP A 120 ? 0.16992 0.19737 0.10143 0.00131  0.02805  -0.02555 120 TRP A C   
1629 O  O   . TRP A 120 ? 0.17555 0.21980 0.11934 0.00111  0.01886  -0.04190 120 TRP A O   
1630 C  CB  . TRP A 120 ? 0.15792 0.24050 0.14611 -0.00441 0.02327  -0.02465 120 TRP A CB  
1631 C  CG  . TRP A 120 ? 0.17606 0.20047 0.14318 -0.01406 0.02375  -0.02448 120 TRP A CG  
1632 C  CD1 . TRP A 120 ? 0.21294 0.21779 0.13769 -0.00264 0.05093  -0.04070 120 TRP A CD1 
1633 C  CD2 . TRP A 120 ? 0.16611 0.19223 0.15221 -0.00626 0.01731  -0.02465 120 TRP A CD2 
1634 N  NE1 . TRP A 120 ? 0.20989 0.23836 0.14520 -0.01199 0.04120  -0.03274 120 TRP A NE1 
1635 C  CE2 . TRP A 120 ? 0.21599 0.22903 0.15728 -0.03774 0.03686  -0.03294 120 TRP A CE2 
1636 C  CE3 . TRP A 120 ? 0.18813 0.19051 0.18691 -0.00176 0.01588  -0.04513 120 TRP A CE3 
1637 C  CZ2 . TRP A 120 ? 0.23224 0.22368 0.19798 -0.04910 0.04350  -0.00797 120 TRP A CZ2 
1638 C  CZ3 . TRP A 120 ? 0.18848 0.19772 0.21452 -0.00966 0.01837  -0.04562 120 TRP A CZ3 
1639 C  CH2 . TRP A 120 ? 0.22173 0.21146 0.21814 -0.03692 0.03293  0.00614  120 TRP A CH2 
1650 N  N   . ALA A 121 ? 0.17837 0.17344 0.11200 -0.00457 0.02109  -0.02282 121 ALA A N   
1651 C  CA  . ALA A 121 ? 0.16318 0.18988 0.12493 0.01007  0.01802  -0.00586 121 ALA A CA  
1652 C  C   . ALA A 121 ? 0.16214 0.17546 0.12105 0.01324  0.00290  -0.00643 121 ALA A C   
1653 O  O   . ALA A 121 ? 0.17699 0.22107 0.13752 0.00112  -0.00340 0.01462  121 ALA A O   
1654 C  CB  . ALA A 121 ? 0.18874 0.21572 0.14043 -0.00929 -0.00304 -0.00713 121 ALA A CB  
1660 N  N   . SER A 122 ? 0.16688 0.17141 0.10454 0.01030  -0.00877 -0.03244 122 SER A N   
1661 C  CA  . SER A 122 ? 0.16507 0.18216 0.11661 -0.00427 -0.00121 -0.03296 122 SER A CA  
1662 C  C   . SER A 122 ? 0.15508 0.18269 0.10387 -0.02128 0.01054  -0.02449 122 SER A C   
1663 O  O   . SER A 122 ? 0.18052 0.17624 0.10706 -0.00289 0.01805  -0.02568 122 SER A O   
1664 C  CB  . SER A 122 ? 0.16905 0.20108 0.15387 0.00278  0.02303  -0.03181 122 SER A CB  
1665 O  OG  . SER A 122 ? 0.20503 0.21000 0.16503 -0.00504 -0.01239 0.00454  122 SER A OG  
1671 N  N   . THR A 123 ? 0.15913 0.16630 0.08246 0.00425  0.00417  -0.00175 123 THR A N   
1672 C  CA  . THR A 123 ? 0.17922 0.16415 0.07919 -0.00673 0.00863  0.00226  123 THR A CA  
1673 C  C   . THR A 123 ? 0.14811 0.17022 0.07086 0.00490  -0.00374 0.00849  123 THR A C   
1674 O  O   . THR A 123 ? 0.15564 0.16625 0.10868 -0.00462 -0.01835 -0.00597 123 THR A O   
1675 C  CB  . THR A 123 ? 0.18085 0.14485 0.08615 0.02016  0.00201  0.00042  123 THR A CB  
1676 O  OG1 . THR A 123 ? 0.19274 0.18353 0.10712 0.02008  0.00751  0.01266  123 THR A OG1 
1677 C  CG2 . THR A 123 ? 0.17088 0.17800 0.08858 -0.00395 0.00625  0.00199  123 THR A CG2 
1685 N  N   . LEU A 124 ? 0.16340 0.14710 0.08216 -0.01833 -0.00642 -0.00608 124 LEU A N   
1686 C  CA  . LEU A 124 ? 0.16119 0.14046 0.09148 0.00285  -0.00659 0.01015  124 LEU A CA  
1687 C  C   . LEU A 124 ? 0.15842 0.13730 0.09254 -0.00643 -0.01468 0.00036  124 LEU A C   
1688 O  O   . LEU A 124 ? 0.17042 0.13789 0.09294 -0.00088 0.00681  -0.00047 124 LEU A O   
1689 C  CB  . LEU A 124 ? 0.19963 0.17460 0.09307 -0.00319 0.00643  -0.01286 124 LEU A CB  
1690 C  CG  . LEU A 124 ? 0.21129 0.19536 0.10491 -0.00385 -0.01649 0.01618  124 LEU A CG  
1691 C  CD1 . LEU A 124 ? 0.28051 0.25435 0.11675 -0.01324 -0.04645 0.02695  124 LEU A CD1 
1692 C  CD2 . LEU A 124 ? 0.25188 0.20004 0.11045 -0.01203 0.01113  0.02327  124 LEU A CD2 
1704 N  N   . VAL A 125 ? 0.16450 0.13263 0.10562 -0.01071 0.01356  0.01009  125 VAL A N   
1705 C  CA  . VAL A 125 ? 0.14855 0.14769 0.08698 0.00530  0.00907  0.00578  125 VAL A CA  
1706 C  C   . VAL A 125 ? 0.15329 0.15315 0.06814 0.00801  -0.00283 0.01131  125 VAL A C   
1707 O  O   . VAL A 125 ? 0.17635 0.14694 0.09218 0.00863  0.00698  0.00315  125 VAL A O   
1708 C  CB  . VAL A 125 ? 0.13910 0.16615 0.10148 -0.00291 -0.00946 0.00274  125 VAL A CB  
1709 C  CG1 . VAL A 125 ? 0.15469 0.18050 0.13451 -0.00172 -0.00547 -0.01476 125 VAL A CG1 
1710 C  CG2 . VAL A 125 ? 0.14436 0.19955 0.08511 0.00979  -0.00931 0.00381  125 VAL A CG2 
1720 N  N   . GLY A 126 ? 0.15142 0.13874 0.08673 0.00118  -0.00042 -0.00233 126 GLY A N   
1721 C  CA  . GLY A 126 ? 0.15843 0.16303 0.08241 0.00618  -0.00530 0.00169  126 GLY A CA  
1722 C  C   . GLY A 126 ? 0.14370 0.14388 0.08054 -0.00812 -0.01322 0.00000  126 GLY A C   
1723 O  O   . GLY A 126 ? 0.16342 0.15280 0.09732 0.01177  0.00618  0.00229  126 GLY A O   
1727 N  N   . HIS A 127 ? 0.13414 0.15846 0.10248 0.01295  -0.00694 0.00156  127 HIS A N   
1728 C  CA  . HIS A 127 ? 0.15325 0.16334 0.11537 -0.00332 0.00538  0.00288  127 HIS A CA  
1729 C  C   . HIS A 127 ? 0.14451 0.16289 0.10259 0.01364  -0.00172 0.01094  127 HIS A C   
1730 O  O   . HIS A 127 ? 0.16204 0.18418 0.13552 0.01223  -0.00834 0.02456  127 HIS A O   
1731 C  CB  . HIS A 127 ? 0.16377 0.18130 0.12591 0.01110  0.00118  -0.01386 127 HIS A CB  
1732 C  CG  . HIS A 127 ? 0.17370 0.17248 0.14386 0.02999  -0.01224 -0.00630 127 HIS A CG  
1733 N  ND1 . HIS A 127 ? 0.22597 0.21235 0.20212 0.02142  -0.03094 -0.02343 127 HIS A ND1 
1734 C  CD2 . HIS A 127 ? 0.17279 0.15791 0.17524 -0.01258 -0.01619 -0.00964 127 HIS A CD2 
1735 C  CE1 . HIS A 127 ? 0.26056 0.20015 0.21315 0.00725  -0.02352 0.00414  127 HIS A CE1 
1736 N  NE2 . HIS A 127 ? 0.32402 0.20541 0.18935 -0.09750 -0.01233 0.01249  127 HIS A NE2 
1743 N  N   . ASP A 128 ? 0.14083 0.15997 0.09464 0.01411  0.00642  0.00805  128 ASP A N   
1744 C  CA  . ASP A 128 ? 0.13645 0.18303 0.10526 0.00621  -0.01544 -0.00329 128 ASP A CA  
1745 C  C   . ASP A 128 ? 0.13913 0.17302 0.10636 0.02100  -0.00728 -0.00239 128 ASP A C   
1746 O  O   . ASP A 128 ? 0.16515 0.20009 0.09973 0.02476  -0.00132 0.00625  128 ASP A O   
1747 C  CB  . ASP A 128 ? 0.14943 0.18745 0.10639 0.01756  -0.01035 0.00479  128 ASP A CB  
1748 C  CG  . ASP A 128 ? 0.15265 0.15919 0.11026 0.01729  -0.01766 0.02420  128 ASP A CG  
1749 O  OD1 . ASP A 128 ? 0.17588 0.17480 0.10206 0.01015  0.00214  0.01809  128 ASP A OD1 
1750 O  OD2 . ASP A 128 ? 0.17209 0.17547 0.10689 0.01670  -0.02773 0.00662  128 ASP A OD2 
1755 N  N   . THR A 129 ? 0.14562 0.18135 0.13146 0.01595  0.00131  0.00062  129 THR A N   
1756 C  CA  A THR A 129 ? 0.16708 0.20592 0.15116 0.00675  -0.00756 -0.02719 129 THR A CA  
1757 C  CA  B THR A 129 ? 0.16295 0.20713 0.13711 0.01548  0.01249  -0.00817 129 THR A CA  
1758 C  C   . THR A 129 ? 0.16083 0.20817 0.12677 0.03838  -0.01490 0.00085  129 THR A C   
1759 O  O   . THR A 129 ? 0.15891 0.21763 0.15129 0.02363  -0.00864 0.01926  129 THR A O   
1760 C  CB  A THR A 129 ? 0.19213 0.27982 0.23042 0.00352  -0.00738 -0.08446 129 THR A CB  
1761 C  CB  B THR A 129 ? 0.19269 0.27367 0.17150 0.03304  0.03838  -0.03859 129 THR A CB  
1762 O  OG1 A THR A 129 ? 0.17189 0.33321 0.28635 0.01384  -0.02416 -0.12571 129 THR A OG1 
1763 O  OG1 B THR A 129 ? 0.22935 0.34625 0.17485 -0.01624 0.09098  -0.05012 129 THR A OG1 
1764 C  CG2 A THR A 129 ? 0.22447 0.27906 0.22956 0.01731  0.01099  -0.08372 129 THR A CG2 
1765 C  CG2 B THR A 129 ? 0.23056 0.25624 0.18300 0.07830  0.02908  -0.04330 129 THR A CG2 
1780 N  N   . PHE A 130 ? 0.15871 0.20393 0.13298 0.01951  -0.00723 0.00383  130 PHE A N   
1781 C  CA  . PHE A 130 ? 0.14989 0.21971 0.12713 0.01311  -0.01448 -0.00711 130 PHE A CA  
1782 C  C   . PHE A 130 ? 0.16901 0.19280 0.15505 0.01405  -0.00006 -0.00599 130 PHE A C   
1783 O  O   . PHE A 130 ? 0.16661 0.23121 0.17095 0.02571  0.00816  -0.00965 130 PHE A O   
1784 C  CB  . PHE A 130 ? 0.16477 0.20345 0.12775 0.01714  -0.01149 -0.00592 130 PHE A CB  
1785 C  CG  . PHE A 130 ? 0.17045 0.18394 0.11815 0.00908  0.00594  -0.00429 130 PHE A CG  
1786 C  CD1 . PHE A 130 ? 0.15952 0.19116 0.11645 0.01770  -0.01577 0.00555  130 PHE A CD1 
1787 C  CD2 . PHE A 130 ? 0.15341 0.19804 0.13583 0.00976  -0.01195 -0.00458 130 PHE A CD2 
1788 C  CE1 . PHE A 130 ? 0.13769 0.18734 0.12931 0.01446  -0.00682 -0.00335 130 PHE A CE1 
1789 C  CE2 . PHE A 130 ? 0.16585 0.19868 0.14210 0.00431  -0.02471 0.00052  130 PHE A CE2 
1790 C  CZ  . PHE A 130 ? 0.17008 0.16205 0.14055 0.00192  -0.01149 0.01131  130 PHE A CZ  
1800 N  N   . THR A 131 ? 0.12859 0.23630 0.17910 0.04423  -0.02048 -0.01294 131 THR A N   
1801 C  CA  . THR A 131 ? 0.15354 0.22395 0.21850 0.03157  -0.02574 -0.02902 131 THR A CA  
1802 C  C   . THR A 131 ? 0.16562 0.24707 0.20748 0.04305  -0.00513 -0.03095 131 THR A C   
1803 O  O   . THR A 131 ? 0.16700 0.27286 0.19651 0.03785  -0.01340 -0.03657 131 THR A O   
1804 C  CB  . THR A 131 ? 0.22745 0.24071 0.30382 0.04594  -0.06096 -0.03679 131 THR A CB  
1805 O  OG1 . THR A 131 ? 0.39023 0.30791 0.34890 0.03920  -0.14690 0.02677  131 THR A OG1 
1806 C  CG2 . THR A 131 ? 0.29024 0.25329 0.33475 0.04310  -0.04974 -0.02350 131 THR A CG2 
1814 N  N   . LYS A 132 ? 0.14181 0.31118 0.23305 0.03301  -0.01092 -0.07413 132 LYS A N   
1815 C  CA  . LYS A 132 ? 0.16770 0.29555 0.24574 0.02538  0.00670  -0.04984 132 LYS A CA  
1816 C  C   . LYS A 132 ? 0.18991 0.34691 0.29377 0.08403  -0.03461 -0.02894 132 LYS A C   
1817 O  O   . LYS A 132 ? 0.17805 0.36181 0.29488 0.05909  -0.06046 -0.03184 132 LYS A O   
1818 C  CB  . LYS A 132 ? 0.16845 0.37730 0.26016 -0.00556 0.00275  -0.04544 132 LYS A CB  
1819 C  CG  . LYS A 132 ? 0.22343 0.42429 0.30004 0.03563  -0.02014 -0.02290 132 LYS A CG  
1820 C  CD  . LYS A 132 ? 0.30783 0.45534 0.33160 0.02163  -0.03953 -0.02280 132 LYS A CD  
1821 C  CE  . LYS A 132 ? 0.41250 0.45453 0.34676 -0.02069 -0.00347 -0.03378 132 LYS A CE  
1822 N  NZ  . LYS A 132 ? 0.51091 0.35617 0.35053 0.02025  0.02597  -0.03249 132 LYS A NZ  
1836 N  N   . VAL A 133 ? 0.26327 0.31575 0.36168 0.06261  -0.09957 0.02193  133 VAL A N   
1837 C  CA  . VAL A 133 ? 0.34977 0.36553 0.42102 0.06826  -0.05253 0.02178  133 VAL A CA  
1838 C  C   . VAL A 133 ? 0.29141 0.35510 0.43788 0.05007  -0.06418 0.08185  133 VAL A C   
1839 O  O   . VAL A 133 ? 0.37594 0.43979 0.44607 0.04803  -0.09105 0.06803  133 VAL A O   
1840 C  CB  . VAL A 133 ? 0.49636 0.48509 0.45160 0.09389  -0.01789 0.02734  133 VAL A CB  
1841 C  CG1 . VAL A 133 ? 0.55994 0.50546 0.45917 0.15557  -0.00639 0.02210  133 VAL A CG1 
1842 C  CG2 . VAL A 133 ? 0.54049 0.53465 0.46218 0.11309  -0.02913 0.02369  133 VAL A CG2 
1852 N  N   . LYS A 134 ? 0.46396 0.49097 0.45882 0.07117  -0.07451 0.05664  134 LYS A N   
1853 C  CA  . LYS A 134 ? 0.56707 0.63130 0.49571 0.04457  -0.06171 0.04293  134 LYS A CA  
1854 C  C   . LYS A 134 ? 0.64663 0.62513 0.50623 0.08171  -0.07122 0.06615  134 LYS A C   
1855 O  O   . LYS A 134 ? 0.71098 0.62977 0.50749 0.07233  -0.10534 0.08845  134 LYS A O   
1856 C  CB  . LYS A 134 ? 0.64277 0.65866 0.51915 0.00511  -0.03230 0.03614  134 LYS A CB  
1857 C  CG  . LYS A 134 ? 0.60706 0.62924 0.53555 -0.05601 -0.02537 0.06446  134 LYS A CG  
1858 C  CD  . LYS A 134 ? 0.62483 0.64139 0.54899 -0.04055 -0.04044 0.08290  134 LYS A CD  
1859 C  CE  . LYS A 134 ? 0.67102 0.66293 0.55626 -0.03383 -0.05756 0.10961  134 LYS A CE  
1860 N  NZ  . LYS A 134 ? 0.69430 0.70159 0.56251 -0.02655 -0.06756 0.10090  134 LYS A NZ  
1874 C  C10 . QG7 B .   ? 0.16414 0.17387 0.10204 0.00214  -0.02104 -0.00563 201 QG7 A C10 
1875 C  C15 . QG7 B .   ? 0.47934 0.50859 0.33909 0.07422  0.07461  0.02018  201 QG7 A C15 
1876 C  C17 . QG7 B .   ? 0.56879 0.50568 0.30149 0.07763  0.11578  0.13460  201 QG7 A C17 
1877 C  C11 . QG7 B .   ? 0.51556 0.56951 0.31492 -0.03839 0.12004  0.07792  201 QG7 A C11 
1878 C  C12 . QG7 B .   ? 0.52999 0.54435 0.33505 0.04496  0.09762  0.07088  201 QG7 A C12 
1879 C  C14 . QG7 B .   ? 0.45186 0.54344 0.32592 0.06742  0.11612  0.05517  201 QG7 A C14 
1880 O  O2  . QG7 B .   ? 0.16670 0.17893 0.10829 0.01109  -0.02888 0.00131  201 QG7 A O2  
1881 C  C9  . QG7 B .   ? 0.14343 0.18198 0.09111 0.02474  -0.02662 0.00556  201 QG7 A C9  
1882 N  N1  . QG7 B .   ? 0.18185 0.17159 0.09325 0.01281  -0.03074 0.00084  201 QG7 A N1  
1883 N  N2  . QG7 B .   ? 0.17557 0.17436 0.09448 0.00862  -0.02428 0.01361  201 QG7 A N2  
1884 C  C8  . QG7 B .   ? 0.15569 0.16162 0.09615 0.01382  -0.02854 0.00559  201 QG7 A C8  
1885 C  C7  . QG7 B .   ? 0.17554 0.16742 0.08466 0.00911  -0.03389 0.00096  201 QG7 A C7  
1886 S  S1  . QG7 B .   ? 0.17220 0.16569 0.08462 0.00080  -0.02218 0.00541  201 QG7 A S1  
1887 C  C6  . QG7 B .   ? 0.16349 0.17336 0.08825 -0.00890 -0.03175 0.01347  201 QG7 A C6  
1888 C  C5  . QG7 B .   ? 0.17237 0.18956 0.08396 0.00668  -0.02062 0.00177  201 QG7 A C5  
1889 C  C4  . QG7 B .   ? 0.17539 0.17722 0.10531 -0.00776 -0.02395 0.00683  201 QG7 A C4  
1890 C  C3  . QG7 B .   ? 0.20518 0.17582 0.09598 -0.01931 -0.01684 0.00106  201 QG7 A C3  
1891 C  C2  . QG7 B .   ? 0.22644 0.19749 0.11319 -0.01144 -0.01303 -0.00067 201 QG7 A C2  
1892 C  C1  . QG7 B .   ? 0.23256 0.21971 0.09529 0.00586  -0.01897 -0.00069 201 QG7 A C1  
1893 C  C24 . QG7 B .   ? 0.33911 0.31684 0.19496 0.09267  0.00310  0.05738  201 QG7 A C24 
1894 O  O1  . QG7 B .   ? 0.20818 0.25020 0.09679 -0.00033 -0.01288 0.03260  201 QG7 A O1  
1895 N  N6  . QG7 B .   ? 0.22587 0.22844 0.13232 0.02444  -0.00039 0.02620  201 QG7 A N6  
1896 C  C23 . QG7 B .   ? 0.40033 0.34624 0.23358 0.10278  0.02980  0.10494  201 QG7 A C23 
1897 N  N3  . QG7 B .   ? 0.50535 0.47509 0.29029 0.13335  0.07706  0.13418  201 QG7 A N3  
1898 N  N4  . QG7 B .   ? 0.55525 0.57555 0.34994 0.03715  0.06824  0.03689  201 QG7 A N4  
1899 C  C16 . QG7 B .   ? 0.51321 0.54247 0.34593 0.03542  0.05569  0.03808  201 QG7 A C16 
1900 C  C13 . QG7 B .   ? 0.49575 0.53271 0.32558 -0.00116 0.14558  0.04724  201 QG7 A C13 
1901 N  N5  . QG7 B .   ? 0.63574 0.39754 0.33530 0.05972  0.22813  0.09396  201 QG7 A N5  
1902 C  C18 . QG7 B .   ? 0.64548 0.41329 0.30824 0.10151  0.15542  0.13411  201 QG7 A C18 
1903 C  C22 . QG7 B .   ? 0.58064 0.53004 0.32055 0.17995  0.18629  0.03513  201 QG7 A C22 
1904 C  C21 . QG7 B .   ? 0.64074 0.55124 0.32480 0.15739  0.14334  0.03711  201 QG7 A C21 
1905 C  C20 . QG7 B .   ? 0.63760 0.55054 0.32571 0.13883  0.15472  0.04973  201 QG7 A C20 
1906 C  C19 . QG7 B .   ? 0.60992 0.47534 0.30909 0.08876  0.16358  0.10772  201 QG7 A C19 
1939 CU CU  . CU  C .   ? 0.50956 0.38233 0.24667 0.06255  -0.00649 0.05153  202 CU  A CU  
1940 CU CU  . CU  D .   ? 0.46257 0.55726 0.19355 -0.19282 -0.03798 -0.00015 203 CU  A CU  
1941 CU CU  . CU  E .   ? 0.21310 0.22333 0.12739 0.00850  0.01533  -0.02606 204 CU  A CU  
1942 CU CU  . CU  F .   ? 1.08339 1.13807 1.02986 -0.05831 -0.02393 0.04381  205 CU  A CU  
1943 O  O   . HOH G .   ? 0.58477 0.59372 0.69285 -0.14940 -0.06290 -0.04710 301 HOH A O   
1944 O  O   . HOH G .   ? 0.49740 0.56246 0.36587 -0.07707 0.17500  -0.03688 302 HOH A O   
1945 O  O   . HOH G .   ? 0.36797 0.61445 0.43092 0.04910  -0.00311 0.25892  303 HOH A O   
1946 O  O   . HOH G .   ? 0.40968 0.45172 0.46581 -0.13966 0.03385  0.03995  304 HOH A O   
1947 O  O   . HOH G .   ? 0.36913 0.71317 0.41189 -0.04198 -0.15356 0.09597  305 HOH A O   
1948 O  O   . HOH G .   ? 0.25587 0.38406 0.23378 0.09172  -0.04377 -0.07438 306 HOH A O   
1949 O  O   . HOH G .   ? 0.21489 0.22303 0.10363 -0.00968 -0.02177 -0.00398 307 HOH A O   
1950 O  O   . HOH G .   ? 0.41155 0.41566 0.31785 0.00173  0.01216  0.09270  308 HOH A O   
1951 O  O   . HOH G .   ? 0.18525 0.19273 0.12640 -0.02412 -0.02531 -0.00099 309 HOH A O   
1952 O  O   . HOH G .   ? 0.39919 0.60631 0.62910 -0.10983 -0.03827 -0.00412 310 HOH A O   
1953 O  O   . HOH G .   ? 0.26974 0.32162 0.24809 0.02178  -0.06310 0.07061  311 HOH A O   
1954 O  O   . HOH G .   ? 0.47548 0.61517 0.22760 -0.15805 -0.03538 -0.00920 312 HOH A O   
1955 O  O   . HOH G .   ? 0.25660 0.25462 0.16298 -0.01079 0.00565  0.05272  313 HOH A O   
1956 O  O   . HOH G .   ? 0.17509 0.17509 0.09890 0.00004  -0.00128 0.00128  314 HOH A O   
1957 O  O   . HOH G .   ? 0.28735 0.53628 0.39643 -0.03670 -0.11252 0.12734  315 HOH A O   
1958 O  O   . HOH G .   ? 0.27937 0.33371 0.33539 -0.04072 -0.02368 0.01754  316 HOH A O   
1959 O  O   . HOH G .   ? 0.26851 0.43220 0.41282 -0.02908 0.14434  -0.13882 317 HOH A O   
1960 O  O   . HOH G .   ? 0.21901 0.33507 0.25680 0.01789  -0.00372 0.03602  318 HOH A O   
1961 O  O   . HOH G .   ? 0.17029 0.44351 0.22282 -0.06475 0.03374  -0.16279 319 HOH A O   
1962 O  O   . HOH G .   ? 0.52155 0.54000 0.26468 -0.09793 0.17909  -0.03833 320 HOH A O   
1963 O  O   . HOH G .   ? 0.41465 0.24428 0.17031 0.01910  -0.00374 -0.00862 321 HOH A O   
1964 O  O   . HOH G .   ? 0.31547 0.29689 0.23210 -0.01770 -0.07369 0.05025  322 HOH A O   
1965 O  O   . HOH G .   ? 0.21982 0.24531 0.13279 0.00631  -0.03031 -0.01409 323 HOH A O   
1966 O  O   . HOH G .   ? 0.23360 0.54386 0.41153 -0.06398 0.04154  -0.11374 324 HOH A O   
1967 O  O   . HOH G .   ? 0.21938 0.22972 0.10701 0.00365  0.02314  0.00999  325 HOH A O   
1968 O  O   . HOH G .   ? 0.37618 0.49413 0.37794 -0.00949 0.03008  0.14190  326 HOH A O   
1969 O  O   . HOH G .   ? 0.45023 0.51907 0.29730 -0.00303 0.20133  -0.02594 327 HOH A O   
1970 O  O   . HOH G .   ? 0.25823 0.31401 0.38465 -0.07226 0.01404  -0.09102 328 HOH A O   
1971 O  O   . HOH G .   ? 0.53749 0.48421 0.54072 0.05781  0.00651  0.05922  329 HOH A O   
1972 O  O   . HOH G .   ? 0.37603 0.55643 0.48333 -0.04386 -0.10910 0.20081  330 HOH A O   
1973 O  O   . HOH G .   ? 0.37194 0.36745 0.45283 -0.02169 -0.06655 -0.00311 331 HOH A O   
1974 O  O   . HOH G .   ? 0.33187 0.60750 0.37248 -0.03983 -0.02076 -0.07499 332 HOH A O   
1975 O  O   . HOH G .   ? 0.24510 0.20690 0.15871 0.00219  -0.01119 -0.00622 333 HOH A O   
1976 O  O   . HOH G .   ? 0.64412 0.27780 0.22311 0.04685  -0.01757 0.01427  334 HOH A O   
1977 O  O   . HOH G .   ? 0.21311 0.23008 0.10702 -0.00989 -0.02589 -0.03324 335 HOH A O   
1978 O  O   . HOH G .   ? 0.35419 0.29533 0.21011 -0.01561 0.03913  0.00735  336 HOH A O   
1979 O  O   . HOH G .   ? 0.40070 0.62964 0.38690 0.01495  0.11610  0.05783  337 HOH A O   
1980 O  O   . HOH G .   ? 0.33324 0.51023 0.48660 -0.16528 -0.01058 0.02994  338 HOH A O   
1981 O  O   . HOH G .   ? 0.26391 0.36961 0.27539 0.01521  0.08865  -0.01481 339 HOH A O   
1982 O  O   . HOH G .   ? 0.29450 0.35360 0.26658 -0.03653 -0.10793 -0.03699 340 HOH A O   
1983 O  O   . HOH G .   ? 0.21397 0.23858 0.13640 -0.01826 -0.02908 -0.01275 341 HOH A O   
1984 O  O   . HOH G .   ? 0.23647 0.32652 0.27352 0.00074  -0.02588 0.05647  342 HOH A O   
1985 O  O   . HOH G .   ? 0.49352 0.45952 0.39517 -0.06170 -0.03349 0.11705  343 HOH A O   
1986 O  O   . HOH G .   ? 0.61673 0.50223 0.20628 -0.18668 0.07744  -0.03313 344 HOH A O   
1987 O  O   . HOH G .   ? 0.31078 0.22486 0.29726 0.01329  0.02931  -0.02569 345 HOH A O   
1988 O  O   . HOH G .   ? 0.56492 0.45672 0.28219 0.06022  -0.07859 0.04500  346 HOH A O   
1989 O  O   . HOH G .   ? 0.20739 0.22403 0.16611 0.04352  0.02458  0.02758  347 HOH A O   
1990 O  O   . HOH G .   ? 0.20369 0.26810 0.19609 -0.00235 -0.05280 0.01973  348 HOH A O   
1991 O  O   . HOH G .   ? 0.31837 0.29977 0.48083 0.01009  -0.03737 0.05088  349 HOH A O   
1992 O  O   . HOH G .   ? 0.23777 0.29494 0.25636 0.03389  0.02225  -0.03728 350 HOH A O   
1993 O  O   . HOH G .   ? 0.46932 0.52443 0.39405 0.00567  0.15656  -0.03818 351 HOH A O   
1994 O  O   . HOH G .   ? 0.55383 0.38966 0.41891 0.26270  -0.01979 -0.00705 352 HOH A O   
1995 O  O   . HOH G .   ? 0.43189 0.35425 0.24779 -0.02547 -0.04864 -0.05496 353 HOH A O   
1996 O  O   . HOH G .   ? 0.25733 0.42050 0.44382 -0.05458 0.01766  -0.15120 354 HOH A O   
1997 O  O   . HOH G .   ? 0.24460 0.38160 0.11595 -0.04310 -0.04211 0.03854  355 HOH A O   
1998 O  O   . HOH G .   ? 0.23421 0.28533 0.20424 0.03374  -0.03876 -0.03979 356 HOH A O   
1999 O  O   . HOH G .   ? 0.66495 0.31269 0.51756 0.08369  0.12250  -0.16436 357 HOH A O   
2000 O  O   . HOH G .   ? 0.42802 0.41355 0.39056 -0.09515 -0.18085 0.08819  358 HOH A O   
2001 O  O   . HOH G .   ? 0.60346 0.51096 0.33642 0.12559  0.11180  0.12339  359 HOH A O   
2002 O  O   . HOH G .   ? 0.37647 0.35538 0.17253 -0.04166 0.04355  0.01831  360 HOH A O   
2003 O  O   . HOH G .   ? 0.23669 0.27799 0.15751 0.01726  -0.01920 0.07469  361 HOH A O   
2004 O  O   . HOH G .   ? 0.20833 0.21965 0.14037 -0.00063 -0.01550 0.00052  362 HOH A O   
2005 O  O   . HOH G .   ? 0.49410 0.36882 0.30768 -0.16327 -0.08098 0.04409  363 HOH A O   
2006 O  O   . HOH G .   ? 0.29962 0.56055 0.37463 0.03492  0.07069  0.18615  364 HOH A O   
2007 O  O   . HOH G .   ? 0.56195 0.42332 0.26643 -0.06476 -0.05893 0.13713  365 HOH A O   
2008 O  O   . HOH G .   ? 0.46177 0.42369 0.49393 -0.16758 0.06599  0.05374  366 HOH A O   
2009 O  O   . HOH G .   ? 0.33239 0.29338 0.25874 0.11729  -0.00773 -0.01292 367 HOH A O   
2010 O  O   . HOH G .   ? 0.40392 0.48613 0.31391 -0.03116 0.02416  -0.10417 368 HOH A O   
2011 O  O   . HOH G .   ? 0.35899 0.46328 0.41384 0.01120  0.12468  -0.19565 369 HOH A O   
2012 O  O   . HOH G .   ? 0.28255 0.23138 0.17676 0.02529  0.01769  0.03096  370 HOH A O   
2013 O  O   . HOH G .   ? 0.50213 0.55030 0.40076 0.03424  -0.02572 0.14567  371 HOH A O   
2014 O  O   . HOH G .   ? 0.25799 0.27663 0.15283 -0.02151 -0.02620 0.02127  372 HOH A O   
2015 O  O   . HOH G .   ? 0.30833 0.52350 0.34782 -0.03068 -0.01879 0.05778  373 HOH A O   
2016 O  O   . HOH G .   ? 0.44264 0.54698 0.21442 0.01482  -0.03406 -0.00824 374 HOH A O   
2017 O  O   . HOH G .   ? 0.32807 0.38316 0.17765 -0.05922 0.01494  -0.00199 375 HOH A O   
2018 O  O   . HOH G .   ? 0.47195 0.36507 0.41412 0.01674  -0.19003 -0.01423 376 HOH A O   
2019 O  O   . HOH G .   ? 0.54707 0.46079 0.31877 0.07555  -0.10464 0.00596  377 HOH A O   
2020 O  O   . HOH G .   ? 0.61195 0.34758 0.17857 0.12734  0.01028  0.04402  378 HOH A O   
2021 O  O   . HOH G .   ? 0.45271 0.63249 0.42320 -0.02387 0.11308  -0.10633 379 HOH A O   
2022 O  O   . HOH G .   ? 0.43877 0.53233 0.40175 -0.09408 0.16235  -0.12183 380 HOH A O   
2023 O  O   . HOH G .   ? 0.27279 0.39686 0.15365 0.00835  -0.00574 -0.00706 381 HOH A O   
2024 O  O   . HOH G .   ? 0.36132 0.55470 0.30251 0.11487  -0.01069 0.13127  382 HOH A O   
2025 O  O   . HOH G .   ? 0.47746 0.53980 0.51730 0.04747  -0.00602 -0.00548 383 HOH A O   
2026 O  O   . HOH G .   ? 0.53489 0.57173 0.49863 0.02406  -0.01786 -0.05644 384 HOH A O   
2027 O  O   . HOH G .   ? 0.31759 0.33292 0.33262 -0.03804 0.03440  -0.02391 385 HOH A O   
2028 O  O   . HOH G .   ? 0.53270 0.35875 0.27810 0.00846  -0.12789 -0.06513 386 HOH A O   
2029 O  O   . HOH G .   ? 0.76976 0.72128 0.80269 0.03386  -0.04832 0.01568  387 HOH A O   
2030 O  O   . HOH G .   ? 0.57804 0.58288 0.22888 -0.19112 0.07940  -0.08068 388 HOH A O   
2031 O  O   . HOH G .   ? 0.42546 0.42572 0.33313 -0.03606 -0.02423 -0.03843 389 HOH A O   
2032 O  O   . HOH G .   ? 0.63443 0.63967 0.48711 0.01656  0.02060  -0.02250 390 HOH A O   
2033 O  O   . HOH G .   ? 0.48799 0.40938 0.33427 -0.00333 -0.07208 0.05052  391 HOH A O   
2034 O  O   . HOH G .   ? 0.26401 0.63952 0.26697 -0.04220 -0.07692 0.08588  392 HOH A O   
2035 O  O   . HOH G .   ? 0.48530 0.50423 0.50770 0.00982  -0.10629 0.02564  393 HOH A O   
2036 O  O   . HOH G .   ? 0.61231 0.61922 0.52659 -0.00278 0.09589  0.14711  394 HOH A O   
2037 O  O   . HOH G .   ? 0.70410 0.72041 0.68122 -0.05641 0.04978  -0.06871 395 HOH A O   
2038 O  O   . HOH G .   ? 0.56220 0.53411 0.39179 -0.11799 0.09414  -0.05451 396 HOH A O   
2039 O  O   . HOH G .   ? 0.61603 0.35788 0.32140 0.13272  -0.19174 -0.05089 397 HOH A O   
2040 O  O   . HOH G .   ? 0.63230 0.64697 0.60520 -0.05497 -0.04913 0.03889  398 HOH A O   
2041 O  O   . HOH G .   ? 0.57568 0.34461 0.44135 -0.10753 -0.12940 0.02687  399 HOH A O   
2042 O  O   . HOH G .   ? 0.60559 0.60359 0.52668 -0.02139 0.00597  -0.00291 400 HOH A O   
2043 O  O   . HOH G .   ? 0.38449 0.36826 0.40733 -0.06886 -0.08703 0.01826  401 HOH A O   
2044 O  O   . HOH G .   ? 0.62431 0.67823 0.58278 -0.04452 -0.11235 0.01832  402 HOH A O   
2045 O  O   . HOH G .   ? 0.57284 0.34309 0.41039 0.01711  -0.08277 -0.05591 403 HOH A O   
2046 O  O   . HOH G .   ? 0.36806 0.31106 0.27958 -0.04787 -0.07776 -0.03147 404 HOH A O   
2047 O  O   . HOH G .   ? 0.47899 0.40390 0.47101 -0.08829 -0.06832 0.00550  405 HOH A O   
2048 O  O   . HOH G .   ? 0.52040 0.57453 0.49129 -0.01295 0.04571  0.01347  406 HOH A O   
2049 O  O   . HOH G .   ? 0.57509 0.48547 0.49664 -0.19108 0.13195  0.02167  407 HOH A O   
2050 O  O   . HOH G .   ? 0.60600 0.55015 0.51429 -0.01939 0.02451  0.01158  408 HOH A O   
2051 O  O   . HOH G .   ? 0.25212 0.31760 0.12229 0.03773  -0.00065 -0.04380 409 HOH A O   
2052 O  O   . HOH G .   ? 0.61164 0.55617 0.56360 -0.02580 0.06354  -0.01625 410 HOH A O   
2053 O  O   . HOH G .   ? 0.49538 0.50293 0.48611 0.02011  -0.14539 -0.02070 411 HOH A O   
2054 O  O   . HOH G .   ? 0.53461 0.61732 0.46880 -0.01341 -0.07787 0.06363  412 HOH A O   
2055 O  O   . HOH G .   ? 0.58641 0.61948 0.62010 0.04111  0.01103  0.01866  413 HOH A O   
2056 O  O   . HOH G .   ? 0.38671 0.58424 0.46655 -0.07031 0.08824  0.08134  414 HOH A O   
2057 O  O   . HOH G .   ? 0.57902 0.28383 0.28676 -0.03736 -0.00404 -0.06895 415 HOH A O   
2058 O  O   . HOH G .   ? 0.38370 0.47774 0.30891 0.03526  0.06279  -0.05652 416 HOH A O   
2059 O  O   . HOH G .   ? 0.49734 0.44793 0.62077 -0.04068 -0.05124 -0.00576 417 HOH A O   
2060 O  O   . HOH G .   ? 0.32563 0.54929 0.55761 -0.05218 0.07364  -0.06294 418 HOH A O   
2061 O  O   . HOH G .   ? 0.55251 0.49105 0.61205 0.00729  0.01230  0.00055  419 HOH A O   
2062 O  O   . HOH G .   ? 0.54381 0.55173 0.40312 -0.03573 0.00075  -0.01865 420 HOH A O   
2063 O  O   . HOH G .   ? 0.42081 0.43924 0.32656 -0.05094 0.00636  -0.03698 421 HOH A O   
2064 O  O   . HOH G .   ? 0.56122 0.49104 0.25614 -0.09075 -0.14545 0.05407  422 HOH A O   
2065 O  O   . HOH G .   ? 0.36562 0.37066 0.39859 -0.07371 -0.06693 -0.04927 423 HOH A O   
2066 O  O   . HOH G .   ? 0.31417 0.34982 0.40259 -0.07498 -0.02877 -0.00538 424 HOH A O   
2067 O  O   . HOH G .   ? 0.54469 0.58800 0.58682 -0.14014 0.00054  -0.01367 425 HOH A O   
2068 O  O   . HOH G .   ? 0.43447 0.46267 0.55341 -0.12984 -0.02535 -0.11214 426 HOH A O   
2069 O  O   . HOH G .   ? 0.51106 0.31032 0.50024 -0.05412 0.05414  -0.05798 427 HOH A O   
2070 O  O   . HOH G .   ? 0.45836 0.36004 0.55467 -0.09587 0.08045  -0.05330 428 HOH A O   
2071 O  O   . HOH G .   ? 0.52683 0.57435 0.55018 -0.06565 0.02906  -0.00806 429 HOH A O   
# 
