data_9FNR
# 
_entry.id   9FNR 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_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   9FNR         pdb_00009fnr 10.2210/pdb9fnr/pdb 
WWPDB D_1292138673 ?            ?                   
# 
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 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-01-15 ? 
2 'Structure model' 1 1 2025-02-26 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               '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 
# 
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_volume'          
2 2 '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                        9FNR 
_pdbx_database_status.recvd_initial_deposition_date   2024-06-10 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_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           N 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        'S112V N49M mutant with same ligand' 
_pdbx_database_related.db_id          9FFJ 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 3 
_pdbx_contact_author.email              xile.hu@epfl.ch 
_pdbx_contact_author.name_first         Xile 
_pdbx_contact_author.name_last          Hu 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-8335-1196 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Lau, K.'    1 0000-0002-9040-7597 
'Wang, W.'   2 0000-0002-3080-1365 
'Pojer, F.'  3 0000-0002-9183-7206 
'Larabi, A.' 4 ?                   
# 
_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                   GE 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Angew.Chem.Int.Ed.Engl. 
_citation.journal_id_ASTM           ACIEAY 
_citation.journal_id_CSD            0179 
_citation.journal_id_ISSN           1521-3773 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            64 
_citation.language                  ? 
_citation.page_first                e202422783 
_citation.page_last                 e202422783 
_citation.title                     'Artificial Metalloenzymes with Two Catalytic Cofactors for Tandem Abiotic Transformations.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/anie.202422783 
_citation.pdbx_database_id_PubMed   39760306 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Wang, W.'      1 0000-0002-3080-1365 
primary 'Tachibana, R.' 2 ?                   
primary 'Zhang, K.'     3 ?                   
primary 'Lau, K.'       4 0000-0002-9040-7597 
primary 'Pojer, F.'     5 ?                   
primary 'Ward, T.R.'    6 0000-0001-8602-5468 
primary 'Hu, X.'        7 0000-0001-8335-1196 
# 
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 16581.086 1  ? ? ? ? 
2 non-polymer syn 
;N-methyl-N-[(4,4,6,6-tetrahydroxy-4,6-dioxido-1,3,3a,5,6a-tetrahydrothien[3,4-d]imidazol-4-ium-2-yl)methyl]-5-(2,4,4-trihydroxy-2-keto-3,3a,5,6-tetrahydro-1H-thien[3,4-d]imidazol-4-ium-6-yl
;
574.275   1  ? ? ? ? 
3 non-polymer syn 'SULFATE ION' 96.063    1  ? ? ? ? 
4 water       nat water 18.015    30 ? ? ? ? 
# 
_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       
;MASMTGGQQMGRDQAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWK
NNYRNAHSATTWSGQYVGGAEARINTQWLLTVGTTEANAWKSTLVGHDTFTKVKPSAASIDAAKKAGVNNGNPLDAVQQ
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MASMTGGQQMGRDQAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWK
NNYRNAHSATTWSGQYVGGAEARINTQWLLTVGTTEANAWKSTLVGHDTFTKVKPSAASIDAAKKAGVNNGNPLDAVQQ
;
_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-methyl-N-[(4,4,6,6-tetrahydroxy-4,6-dioxido-1,3,3a,5,6a-tetrahydrothien[3,4-d]imidazol-4-ium-2-yl)methyl]-5-(2,4,4-trihydroxy-2-keto-3,3a,5,6-tetrahydro-1H-thien[3,4-d]imidazol-4-ium-6-yl
;
A1ICD 
3 'SULFATE ION' SO4   
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  GLN 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 GLU 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 VAL 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 LYS 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(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_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 
A1ICD non-polymer         . 
;N-methyl-N-[(4,4,6,6-tetrahydroxy-4,6-dioxido-1,3,3a,5,6a-tetrahydrothien[3,4-d]imidazol-4-ium-2-yl)methyl]-5-(2,4,4-trihydroxy-2-keto-3,3a,5,6-tetrahydro-1H-thien[3,4-d]imidazol-4-ium-6-yl
;
? 'C24 H29 N5 Ni O6 S' 574.275 
ALA   'L-peptide linking' y ALANINE ? 'C3 H7 N O2'         89.093  
ARG   'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1'     175.209 
ASN   'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'        132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'         133.103 
GLN   'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'       146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'         147.129 
GLY   'peptide linking'   y GLYCINE ? 'C2 H5 N O2'         75.067  
HIS   'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1'     156.162 
HOH   non-polymer         . WATER ? 'H2 O'               18.015  
ILE   'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'        131.173 
LEU   'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'        131.173 
LYS   'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1'     147.195 
MET   'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'      149.211 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'        165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'         115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'         105.093 
SO4   non-polymer         . 'SULFATE ION' ? 'O4 S -2'            96.063  
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  GLN 14  14  14  GLN GLN 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 GLU 101 101 101 GLU GLU 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 VAL 112 112 112 VAL VAL 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 LYS 121 121 121 LYS LYS 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        A1ICD 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1ICD 
_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 A1ICD 1  201 201 A1ICD YZT A . 
C 3 SO4   1  202 1   SO4   SO4 A . 
D 4 HOH   1  301 59  HOH   HOH A . 
D 4 HOH   2  302 4   HOH   HOH A . 
D 4 HOH   3  303 34  HOH   HOH A . 
D 4 HOH   4  304 9   HOH   HOH A . 
D 4 HOH   5  305 72  HOH   HOH A . 
D 4 HOH   6  306 32  HOH   HOH A . 
D 4 HOH   7  307 35  HOH   HOH A . 
D 4 HOH   8  308 11  HOH   HOH A . 
D 4 HOH   9  309 6   HOH   HOH A . 
D 4 HOH   10 310 1   HOH   HOH A . 
D 4 HOH   11 311 37  HOH   HOH A . 
D 4 HOH   12 312 3   HOH   HOH A . 
D 4 HOH   13 313 81  HOH   HOH A . 
D 4 HOH   14 314 26  HOH   HOH A . 
D 4 HOH   15 315 8   HOH   HOH A . 
D 4 HOH   16 316 87  HOH   HOH A . 
D 4 HOH   17 317 14  HOH   HOH A . 
D 4 HOH   18 318 15  HOH   HOH A . 
D 4 HOH   19 319 27  HOH   HOH A . 
D 4 HOH   20 320 7   HOH   HOH A . 
D 4 HOH   21 321 25  HOH   HOH A . 
D 4 HOH   22 322 89  HOH   HOH A . 
D 4 HOH   23 323 10  HOH   HOH A . 
D 4 HOH   24 324 17  HOH   HOH A . 
D 4 HOH   25 325 24  HOH   HOH A . 
D 4 HOH   26 326 86  HOH   HOH A . 
D 4 HOH   27 327 88  HOH   HOH A . 
D 4 HOH   28 328 85  HOH   HOH A . 
D 4 HOH   29 329 53  HOH   HOH A . 
D 4 HOH   30 330 90  HOH   HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 0 A THR 129 ? OG1 B A THR 129 OG1 
2 1 Y 0 A THR 129 ? CG2 B A THR 129 CG2 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? dev_5246 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? .        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                     9FNR 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     57.100 
_cell.length_a_esd                 ? 
_cell.length_b                     57.100 
_cell.length_b_esd                 ? 
_cell.length_c                     172.197 
_cell.length_c_esd                 ? 
_cell.volume                       561432.821 
_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                         9FNR 
_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                   9FNR 
_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             2.12 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          41.88 
_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              ? 
_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    '1.6M Magnesium sulfate heptahydrate,0.1M HEPES 7.2, 6% v/v Glycerol' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291.15 
# 
_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 PILATUS 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-04-11 
_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   0.965460 
_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                        'ESRF BEAMLINE MASSIF-3' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.965460 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   MASSIF-3 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          32.12 
_reflns.entry_id                                       9FNR 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.64 
_reflns.d_resolution_low                               43.05 
_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                                     31995 
_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                           96.2 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                18.25 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          27.36 
_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                                0.054 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1.00 
_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                                    1.64 
_reflns_shell.d_res_low                                     1.73 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.8 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             4478 
_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                               1.39 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.512 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          79.2 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               44.32 
_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                                 9FNR 
_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                            1.64 
_refine.ls_d_res_low                             43.05 
_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                     31546 
_refine.ls_number_reflns_R_free                  1582 
_refine.ls_number_reflns_R_work                  29964 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    94.89 
_refine.ls_percent_reflns_R_free                 5.01 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1643 
_refine.ls_R_factor_R_free                       0.2057 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1621 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.33 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       '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                 25.0845 
_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                            0.2029 
_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                       1.64 
_refine_hist.d_res_low                        43.05 
_refine_hist.number_atoms_solvent             30 
_refine_hist.number_atoms_total               1001 
_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        929 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         42 
_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' ? 0.0102  ? 999  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.7725  ? 1379 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0595  ? 148  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0074  ? 168  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 18.9284 ? 317  ? 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' 1.64 1.69  . . 84  1685 59.10  . . . . 0.3190 . . . . . . . . . . . 0.3706 
'X-RAY DIFFRACTION' 1.69 1.76  . . 135 2560 88.30  . . . . 0.2595 . . . . . . . . . . . 0.2879 
'X-RAY DIFFRACTION' 1.76 1.83  . . 143 2761 96.83  . . . . 0.2256 . . . . . . . . . . . 0.2544 
'X-RAY DIFFRACTION' 1.83 1.91  . . 152 2850 99.34  . . . . 0.1864 . . . . . . . . . . . 0.2553 
'X-RAY DIFFRACTION' 1.91 2.01  . . 152 2863 100.00 . . . . 0.1736 . . . . . . . . . . . 0.2333 
'X-RAY DIFFRACTION' 2.01 2.13  . . 151 2874 100.00 . . . . 0.1453 . . . . . . . . . . . 0.1975 
'X-RAY DIFFRACTION' 2.14 2.30  . . 150 2877 99.97  . . . . 0.1496 . . . . . . . . . . . 0.2101 
'X-RAY DIFFRACTION' 2.30 2.53  . . 157 2865 100.00 . . . . 0.1960 . . . . . . . . . . . 0.2360 
'X-RAY DIFFRACTION' 2.53 2.90  . . 150 2879 100.00 . . . . 0.1714 . . . . . . . . . . . 0.2267 
'X-RAY DIFFRACTION' 2.90 3.65  . . 152 2870 99.97  . . . . 0.1582 . . . . . . . . . . . 0.1860 
'X-RAY DIFFRACTION' 3.65 43.05 . . 156 2880 100.00 . . . . 0.1438 . . . . . . . . . . . 0.1855 
# 
_struct.entry_id                     9FNR 
_struct.title                        
'Artificial metalloenzyme with a nickel-based 1,10-phenanthroline cofactor and streptavidin S112V mutant' 
_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        9FNR 
_struct_keywords.text            'Artificial metalloenzyme, nickel, 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 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   
;AGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSG
QYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKPSAASIDAAKKAGVNNGNPLDAVQQ
;
_struct_ref.pdbx_align_begin           39 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9FNR 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 15 
_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                  39 
_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       15 
_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 9FNR MET A 1   ? UNP P22629 ?   ?   'initiating methionine' 1   1  
1 9FNR ALA A 2   ? UNP P22629 ?   ?   'expression tag'        2   2  
1 9FNR SER A 3   ? UNP P22629 ?   ?   'expression tag'        3   3  
1 9FNR MET A 4   ? UNP P22629 ?   ?   'expression tag'        4   4  
1 9FNR THR A 5   ? UNP P22629 ?   ?   'expression tag'        5   5  
1 9FNR GLY A 6   ? UNP P22629 ?   ?   'expression tag'        6   6  
1 9FNR GLY A 7   ? UNP P22629 ?   ?   'expression tag'        7   7  
1 9FNR GLN A 8   ? UNP P22629 ?   ?   'expression tag'        8   8  
1 9FNR GLN A 9   ? UNP P22629 ?   ?   'expression tag'        9   9  
1 9FNR MET A 10  ? UNP P22629 ?   ?   'expression tag'        10  10 
1 9FNR GLY A 11  ? UNP P22629 ?   ?   'expression tag'        11  11 
1 9FNR ARG A 12  ? UNP P22629 ?   ?   'expression tag'        12  12 
1 9FNR ASP A 13  ? UNP P22629 ?   ?   'expression tag'        13  13 
1 9FNR GLN A 14  ? UNP P22629 ?   ?   'expression tag'        14  14 
1 9FNR VAL A 112 ? UNP P22629 SER 136 'engineered mutation'   112 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)' 9270  ? 
1 MORE         -57   ? 
1 'SSA (A^2)'  18880 ? 
# 
_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 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'mass spectrometry' 
_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_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 
3 'crystal symmetry operation' 10_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 
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 ? LYS A 121 ? THR A 115 LYS A 121 5 ? 7 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_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  ? TYR A 22  ? GLY A 19  TYR A 22  
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 ARG A 53  ? TYR A 60  ? ARG A 53  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 ? VAL A 112 ? ARG A 103 VAL A 112 
AA1 8 THR A 123 ? THR A 131 ? THR A 123 THR A 131 
AA1 9 GLY A 19  ? TYR A 22  ? GLY A 19  TYR A 22  
# 
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 THR A 28  ? N THR A 28  O GLU A 44  ? O GLU A 44  
AA1 3 4 N TYR A 43  ? N TYR A 43  O TYR A 54  ? O TYR A 54  
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                   9FNR 
_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_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 ASN A 49  ? ? -93.34  49.43   
2 1 GLU A 51  ? ? -138.57 -99.81  
3 1 SER A 52  ? ? -60.88  -143.37 
4 1 GLU A 101 ? ? -109.51 69.38   
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 301 ? D HOH . 
2 1 A HOH 310 ? D HOH . 
# 
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_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 
A1ICD C02  C  N N 1   
A1ICD C04  C  N S 2   
A1ICD C05  C  N R 3   
A1ICD C06  C  N N 4   
A1ICD C09  C  N S 5   
A1ICD C10  C  N N 6   
A1ICD C11  C  N N 7   
A1ICD C12  C  N N 8   
A1ICD C13  C  N N 9   
A1ICD C14  C  N N 10  
A1ICD C16  C  N N 11  
A1ICD C17  C  Y N 12  
A1ICD C18  C  Y N 13  
A1ICD C19  C  Y N 14  
A1ICD C26  C  Y N 15  
A1ICD C27  C  Y N 16  
A1ICD C28  C  Y N 17  
A1ICD C29  C  Y N 18  
A1ICD C30  C  Y N 19  
A1ICD C31  C  Y N 20  
A1ICD C33  C  Y N 21  
A1ICD C34  C  Y N 22  
A1ICD C35  C  Y N 23  
A1ICD N03  N  N N 24  
A1ICD N08  N  N N 25  
A1ICD N15  N  N N 26  
A1ICD N20  N  Y N 27  
A1ICD N32  N  Y N 28  
A1ICD O01  O  N N 29  
A1ICD O22  O  N N 30  
A1ICD O23  O  N N 31  
A1ICD O24  O  N N 32  
A1ICD O25  O  N N 33  
A1ICD O36  O  N N 34  
A1ICD S07  S  N N 35  
A1ICD NI21 NI N N 36  
A1ICD C36  C  N N 37  
A1ICD H1   H  N N 38  
A1ICD H2   H  N N 39  
A1ICD H3   H  N N 40  
A1ICD H4   H  N N 41  
A1ICD H5   H  N N 42  
A1ICD H6   H  N N 43  
A1ICD H7   H  N N 44  
A1ICD H8   H  N N 45  
A1ICD H9   H  N N 46  
A1ICD H10  H  N N 47  
A1ICD H11  H  N N 48  
A1ICD H12  H  N N 49  
A1ICD H13  H  N N 50  
A1ICD H14  H  N N 51  
A1ICD H15  H  N N 52  
A1ICD H16  H  N N 53  
A1ICD H17  H  N N 54  
A1ICD H18  H  N N 55  
A1ICD H19  H  N N 56  
A1ICD H20  H  N N 57  
A1ICD H21  H  N N 58  
A1ICD H22  H  N N 59  
A1ICD H23  H  N N 60  
A1ICD H24  H  N N 61  
A1ICD H29  H  N N 62  
A1ICD H30  H  N N 63  
A1ICD H31  H  N N 64  
A1ICD H25  H  N N 65  
A1ICD H26  H  N N 66  
ALA   N    N  N N 67  
ALA   CA   C  N S 68  
ALA   C    C  N N 69  
ALA   O    O  N N 70  
ALA   CB   C  N N 71  
ALA   OXT  O  N N 72  
ALA   H    H  N N 73  
ALA   H2   H  N N 74  
ALA   HA   H  N N 75  
ALA   HB1  H  N N 76  
ALA   HB2  H  N N 77  
ALA   HB3  H  N N 78  
ALA   HXT  H  N N 79  
ARG   N    N  N N 80  
ARG   CA   C  N S 81  
ARG   C    C  N N 82  
ARG   O    O  N N 83  
ARG   CB   C  N N 84  
ARG   CG   C  N N 85  
ARG   CD   C  N N 86  
ARG   NE   N  N N 87  
ARG   CZ   C  N N 88  
ARG   NH1  N  N N 89  
ARG   NH2  N  N N 90  
ARG   OXT  O  N N 91  
ARG   H    H  N N 92  
ARG   H2   H  N N 93  
ARG   HA   H  N N 94  
ARG   HB2  H  N N 95  
ARG   HB3  H  N N 96  
ARG   HG2  H  N N 97  
ARG   HG3  H  N N 98  
ARG   HD2  H  N N 99  
ARG   HD3  H  N N 100 
ARG   HE   H  N N 101 
ARG   HH11 H  N N 102 
ARG   HH12 H  N N 103 
ARG   HH21 H  N N 104 
ARG   HH22 H  N N 105 
ARG   HXT  H  N N 106 
ASN   N    N  N N 107 
ASN   CA   C  N S 108 
ASN   C    C  N N 109 
ASN   O    O  N N 110 
ASN   CB   C  N N 111 
ASN   CG   C  N N 112 
ASN   OD1  O  N N 113 
ASN   ND2  N  N N 114 
ASN   OXT  O  N N 115 
ASN   H    H  N N 116 
ASN   H2   H  N N 117 
ASN   HA   H  N N 118 
ASN   HB2  H  N N 119 
ASN   HB3  H  N N 120 
ASN   HD21 H  N N 121 
ASN   HD22 H  N N 122 
ASN   HXT  H  N N 123 
ASP   N    N  N N 124 
ASP   CA   C  N S 125 
ASP   C    C  N N 126 
ASP   O    O  N N 127 
ASP   CB   C  N N 128 
ASP   CG   C  N N 129 
ASP   OD1  O  N N 130 
ASP   OD2  O  N N 131 
ASP   OXT  O  N N 132 
ASP   H    H  N N 133 
ASP   H2   H  N N 134 
ASP   HA   H  N N 135 
ASP   HB2  H  N N 136 
ASP   HB3  H  N N 137 
ASP   HD2  H  N N 138 
ASP   HXT  H  N N 139 
GLN   N    N  N N 140 
GLN   CA   C  N S 141 
GLN   C    C  N N 142 
GLN   O    O  N N 143 
GLN   CB   C  N N 144 
GLN   CG   C  N N 145 
GLN   CD   C  N N 146 
GLN   OE1  O  N N 147 
GLN   NE2  N  N N 148 
GLN   OXT  O  N N 149 
GLN   H    H  N N 150 
GLN   H2   H  N N 151 
GLN   HA   H  N N 152 
GLN   HB2  H  N N 153 
GLN   HB3  H  N N 154 
GLN   HG2  H  N N 155 
GLN   HG3  H  N N 156 
GLN   HE21 H  N N 157 
GLN   HE22 H  N N 158 
GLN   HXT  H  N N 159 
GLU   N    N  N N 160 
GLU   CA   C  N S 161 
GLU   C    C  N N 162 
GLU   O    O  N N 163 
GLU   CB   C  N N 164 
GLU   CG   C  N N 165 
GLU   CD   C  N N 166 
GLU   OE1  O  N N 167 
GLU   OE2  O  N N 168 
GLU   OXT  O  N N 169 
GLU   H    H  N N 170 
GLU   H2   H  N N 171 
GLU   HA   H  N N 172 
GLU   HB2  H  N N 173 
GLU   HB3  H  N N 174 
GLU   HG2  H  N N 175 
GLU   HG3  H  N N 176 
GLU   HE2  H  N N 177 
GLU   HXT  H  N N 178 
GLY   N    N  N N 179 
GLY   CA   C  N N 180 
GLY   C    C  N N 181 
GLY   O    O  N N 182 
GLY   OXT  O  N N 183 
GLY   H    H  N N 184 
GLY   H2   H  N N 185 
GLY   HA2  H  N N 186 
GLY   HA3  H  N N 187 
GLY   HXT  H  N N 188 
HIS   N    N  N N 189 
HIS   CA   C  N S 190 
HIS   C    C  N N 191 
HIS   O    O  N N 192 
HIS   CB   C  N N 193 
HIS   CG   C  Y N 194 
HIS   ND1  N  Y N 195 
HIS   CD2  C  Y N 196 
HIS   CE1  C  Y N 197 
HIS   NE2  N  Y N 198 
HIS   OXT  O  N N 199 
HIS   H    H  N N 200 
HIS   H2   H  N N 201 
HIS   HA   H  N N 202 
HIS   HB2  H  N N 203 
HIS   HB3  H  N N 204 
HIS   HD1  H  N N 205 
HIS   HD2  H  N N 206 
HIS   HE1  H  N N 207 
HIS   HE2  H  N N 208 
HIS   HXT  H  N N 209 
HOH   O    O  N N 210 
HOH   H1   H  N N 211 
HOH   H2   H  N N 212 
ILE   N    N  N N 213 
ILE   CA   C  N S 214 
ILE   C    C  N N 215 
ILE   O    O  N N 216 
ILE   CB   C  N S 217 
ILE   CG1  C  N N 218 
ILE   CG2  C  N N 219 
ILE   CD1  C  N N 220 
ILE   OXT  O  N N 221 
ILE   H    H  N N 222 
ILE   H2   H  N N 223 
ILE   HA   H  N N 224 
ILE   HB   H  N N 225 
ILE   HG12 H  N N 226 
ILE   HG13 H  N N 227 
ILE   HG21 H  N N 228 
ILE   HG22 H  N N 229 
ILE   HG23 H  N N 230 
ILE   HD11 H  N N 231 
ILE   HD12 H  N N 232 
ILE   HD13 H  N N 233 
ILE   HXT  H  N N 234 
LEU   N    N  N N 235 
LEU   CA   C  N S 236 
LEU   C    C  N N 237 
LEU   O    O  N N 238 
LEU   CB   C  N N 239 
LEU   CG   C  N N 240 
LEU   CD1  C  N N 241 
LEU   CD2  C  N N 242 
LEU   OXT  O  N N 243 
LEU   H    H  N N 244 
LEU   H2   H  N N 245 
LEU   HA   H  N N 246 
LEU   HB2  H  N N 247 
LEU   HB3  H  N N 248 
LEU   HG   H  N N 249 
LEU   HD11 H  N N 250 
LEU   HD12 H  N N 251 
LEU   HD13 H  N N 252 
LEU   HD21 H  N N 253 
LEU   HD22 H  N N 254 
LEU   HD23 H  N N 255 
LEU   HXT  H  N N 256 
LYS   N    N  N N 257 
LYS   CA   C  N S 258 
LYS   C    C  N N 259 
LYS   O    O  N N 260 
LYS   CB   C  N N 261 
LYS   CG   C  N N 262 
LYS   CD   C  N N 263 
LYS   CE   C  N N 264 
LYS   NZ   N  N N 265 
LYS   OXT  O  N N 266 
LYS   H    H  N N 267 
LYS   H2   H  N N 268 
LYS   HA   H  N N 269 
LYS   HB2  H  N N 270 
LYS   HB3  H  N N 271 
LYS   HG2  H  N N 272 
LYS   HG3  H  N N 273 
LYS   HD2  H  N N 274 
LYS   HD3  H  N N 275 
LYS   HE2  H  N N 276 
LYS   HE3  H  N N 277 
LYS   HZ1  H  N N 278 
LYS   HZ2  H  N N 279 
LYS   HZ3  H  N N 280 
LYS   HXT  H  N N 281 
MET   N    N  N N 282 
MET   CA   C  N S 283 
MET   C    C  N N 284 
MET   O    O  N N 285 
MET   CB   C  N N 286 
MET   CG   C  N N 287 
MET   SD   S  N N 288 
MET   CE   C  N N 289 
MET   OXT  O  N N 290 
MET   H    H  N N 291 
MET   H2   H  N N 292 
MET   HA   H  N N 293 
MET   HB2  H  N N 294 
MET   HB3  H  N N 295 
MET   HG2  H  N N 296 
MET   HG3  H  N N 297 
MET   HE1  H  N N 298 
MET   HE2  H  N N 299 
MET   HE3  H  N N 300 
MET   HXT  H  N N 301 
PHE   N    N  N N 302 
PHE   CA   C  N S 303 
PHE   C    C  N N 304 
PHE   O    O  N N 305 
PHE   CB   C  N N 306 
PHE   CG   C  Y N 307 
PHE   CD1  C  Y N 308 
PHE   CD2  C  Y N 309 
PHE   CE1  C  Y N 310 
PHE   CE2  C  Y N 311 
PHE   CZ   C  Y N 312 
PHE   OXT  O  N N 313 
PHE   H    H  N N 314 
PHE   H2   H  N N 315 
PHE   HA   H  N N 316 
PHE   HB2  H  N N 317 
PHE   HB3  H  N N 318 
PHE   HD1  H  N N 319 
PHE   HD2  H  N N 320 
PHE   HE1  H  N N 321 
PHE   HE2  H  N N 322 
PHE   HZ   H  N N 323 
PHE   HXT  H  N N 324 
PRO   N    N  N N 325 
PRO   CA   C  N S 326 
PRO   C    C  N N 327 
PRO   O    O  N N 328 
PRO   CB   C  N N 329 
PRO   CG   C  N N 330 
PRO   CD   C  N N 331 
PRO   OXT  O  N N 332 
PRO   H    H  N N 333 
PRO   HA   H  N N 334 
PRO   HB2  H  N N 335 
PRO   HB3  H  N N 336 
PRO   HG2  H  N N 337 
PRO   HG3  H  N N 338 
PRO   HD2  H  N N 339 
PRO   HD3  H  N N 340 
PRO   HXT  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 
SO4   S    S  N N 356 
SO4   O1   O  N N 357 
SO4   O2   O  N N 358 
SO4   O3   O  N N 359 
SO4   O4   O  N N 360 
THR   N    N  N N 361 
THR   CA   C  N S 362 
THR   C    C  N N 363 
THR   O    O  N N 364 
THR   CB   C  N R 365 
THR   OG1  O  N N 366 
THR   CG2  C  N N 367 
THR   OXT  O  N N 368 
THR   H    H  N N 369 
THR   H2   H  N N 370 
THR   HA   H  N N 371 
THR   HB   H  N N 372 
THR   HG1  H  N N 373 
THR   HG21 H  N N 374 
THR   HG22 H  N N 375 
THR   HG23 H  N N 376 
THR   HXT  H  N N 377 
TRP   N    N  N N 378 
TRP   CA   C  N S 379 
TRP   C    C  N N 380 
TRP   O    O  N N 381 
TRP   CB   C  N N 382 
TRP   CG   C  Y N 383 
TRP   CD1  C  Y N 384 
TRP   CD2  C  Y N 385 
TRP   NE1  N  Y N 386 
TRP   CE2  C  Y N 387 
TRP   CE3  C  Y N 388 
TRP   CZ2  C  Y N 389 
TRP   CZ3  C  Y N 390 
TRP   CH2  C  Y N 391 
TRP   OXT  O  N N 392 
TRP   H    H  N N 393 
TRP   H2   H  N N 394 
TRP   HA   H  N N 395 
TRP   HB2  H  N N 396 
TRP   HB3  H  N N 397 
TRP   HD1  H  N N 398 
TRP   HE1  H  N N 399 
TRP   HE3  H  N N 400 
TRP   HZ2  H  N N 401 
TRP   HZ3  H  N N 402 
TRP   HH2  H  N N 403 
TRP   HXT  H  N N 404 
TYR   N    N  N N 405 
TYR   CA   C  N S 406 
TYR   C    C  N N 407 
TYR   O    O  N N 408 
TYR   CB   C  N N 409 
TYR   CG   C  Y N 410 
TYR   CD1  C  Y N 411 
TYR   CD2  C  Y N 412 
TYR   CE1  C  Y N 413 
TYR   CE2  C  Y N 414 
TYR   CZ   C  Y N 415 
TYR   OH   O  N N 416 
TYR   OXT  O  N N 417 
TYR   H    H  N N 418 
TYR   H2   H  N N 419 
TYR   HA   H  N N 420 
TYR   HB2  H  N N 421 
TYR   HB3  H  N N 422 
TYR   HD1  H  N N 423 
TYR   HD2  H  N N 424 
TYR   HE1  H  N N 425 
TYR   HE2  H  N N 426 
TYR   HH   H  N N 427 
TYR   HXT  H  N N 428 
VAL   N    N  N N 429 
VAL   CA   C  N S 430 
VAL   C    C  N N 431 
VAL   O    O  N N 432 
VAL   CB   C  N N 433 
VAL   CG1  C  N N 434 
VAL   CG2  C  N N 435 
VAL   OXT  O  N N 436 
VAL   H    H  N N 437 
VAL   H2   H  N N 438 
VAL   HA   H  N N 439 
VAL   HB   H  N N 440 
VAL   HG11 H  N N 441 
VAL   HG12 H  N N 442 
VAL   HG13 H  N N 443 
VAL   HG21 H  N N 444 
VAL   HG22 H  N N 445 
VAL   HG23 H  N N 446 
VAL   HXT  H  N N 447 
# 
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 
A1ICD C02  O01  doub N N 1   
A1ICD N03  C02  sing N N 2   
A1ICD C04  N03  sing N N 3   
A1ICD S07  C06  sing N N 4   
A1ICD C06  C05  sing N N 5   
A1ICD N08  C05  sing N N 6   
A1ICD C05  C04  sing N N 7   
A1ICD C09  C04  sing N N 8   
A1ICD C10  C09  sing N N 9   
A1ICD C11  C10  sing N N 10  
A1ICD C12  C11  sing N N 11  
A1ICD C13  C12  sing N N 12  
A1ICD C14  C13  sing N N 13  
A1ICD C16  N15  sing N N 14  
A1ICD C17  C16  sing N N 15  
A1ICD C18  C17  doub Y N 16  
A1ICD C19  C18  sing Y N 17  
A1ICD N20  C19  doub Y N 18  
A1ICD O22  NI21 sing N N 19  
A1ICD O23  NI21 sing N N 20  
A1ICD O24  NI21 sing N N 21  
A1ICD O25  NI21 sing N N 22  
A1ICD NI21 N20  sing N N 23  
A1ICD C26  N20  sing Y N 24  
A1ICD C27  C26  doub Y N 25  
A1ICD C28  C27  sing Y N 26  
A1ICD C29  C28  doub Y N 27  
A1ICD C30  C29  sing Y N 28  
A1ICD C31  C30  doub Y N 29  
A1ICD N32  C31  sing Y N 30  
A1ICD C33  N32  doub Y N 31  
A1ICD C34  C33  sing Y N 32  
A1ICD C35  C34  doub Y N 33  
A1ICD N15  C14  sing N N 34  
A1ICD O36  C14  doub N N 35  
A1ICD C02  N08  sing N N 36  
A1ICD S07  C09  sing N N 37  
A1ICD C17  C27  sing Y N 38  
A1ICD NI21 N32  sing N N 39  
A1ICD C26  C31  sing Y N 40  
A1ICD C30  C35  sing Y N 41  
A1ICD C36  N15  sing N N 42  
A1ICD C04  H1   sing N N 43  
A1ICD C05  H2   sing N N 44  
A1ICD C06  H3   sing N N 45  
A1ICD C06  H4   sing N N 46  
A1ICD C09  H5   sing N N 47  
A1ICD C10  H6   sing N N 48  
A1ICD C10  H7   sing N N 49  
A1ICD C11  H8   sing N N 50  
A1ICD C11  H9   sing N N 51  
A1ICD C12  H10  sing N N 52  
A1ICD C12  H11  sing N N 53  
A1ICD C13  H12  sing N N 54  
A1ICD C13  H13  sing N N 55  
A1ICD C16  H14  sing N N 56  
A1ICD C16  H15  sing N N 57  
A1ICD C18  H16  sing N N 58  
A1ICD C19  H17  sing N N 59  
A1ICD C28  H18  sing N N 60  
A1ICD C29  H19  sing N N 61  
A1ICD C33  H20  sing N N 62  
A1ICD C34  H21  sing N N 63  
A1ICD C35  H22  sing N N 64  
A1ICD N03  H23  sing N N 65  
A1ICD N08  H24  sing N N 66  
A1ICD C36  H29  sing N N 67  
A1ICD C36  H30  sing N N 68  
A1ICD C36  H31  sing N N 69  
A1ICD O24  H25  sing N N 70  
A1ICD O25  H26  sing N N 71  
ALA   N    CA   sing N N 72  
ALA   N    H    sing N N 73  
ALA   N    H2   sing N N 74  
ALA   CA   C    sing N N 75  
ALA   CA   CB   sing N N 76  
ALA   CA   HA   sing N N 77  
ALA   C    O    doub N N 78  
ALA   C    OXT  sing N N 79  
ALA   CB   HB1  sing N N 80  
ALA   CB   HB2  sing N N 81  
ALA   CB   HB3  sing N N 82  
ALA   OXT  HXT  sing N N 83  
ARG   N    CA   sing N N 84  
ARG   N    H    sing N N 85  
ARG   N    H2   sing N N 86  
ARG   CA   C    sing N N 87  
ARG   CA   CB   sing N N 88  
ARG   CA   HA   sing N N 89  
ARG   C    O    doub N N 90  
ARG   C    OXT  sing N N 91  
ARG   CB   CG   sing N N 92  
ARG   CB   HB2  sing N N 93  
ARG   CB   HB3  sing N N 94  
ARG   CG   CD   sing N N 95  
ARG   CG   HG2  sing N N 96  
ARG   CG   HG3  sing N N 97  
ARG   CD   NE   sing N N 98  
ARG   CD   HD2  sing N N 99  
ARG   CD   HD3  sing N N 100 
ARG   NE   CZ   sing N N 101 
ARG   NE   HE   sing N N 102 
ARG   CZ   NH1  sing N N 103 
ARG   CZ   NH2  doub N N 104 
ARG   NH1  HH11 sing N N 105 
ARG   NH1  HH12 sing N N 106 
ARG   NH2  HH21 sing N N 107 
ARG   NH2  HH22 sing N N 108 
ARG   OXT  HXT  sing N N 109 
ASN   N    CA   sing N N 110 
ASN   N    H    sing N N 111 
ASN   N    H2   sing N N 112 
ASN   CA   C    sing N N 113 
ASN   CA   CB   sing N N 114 
ASN   CA   HA   sing N N 115 
ASN   C    O    doub N N 116 
ASN   C    OXT  sing N N 117 
ASN   CB   CG   sing N N 118 
ASN   CB   HB2  sing N N 119 
ASN   CB   HB3  sing N N 120 
ASN   CG   OD1  doub N N 121 
ASN   CG   ND2  sing N N 122 
ASN   ND2  HD21 sing N N 123 
ASN   ND2  HD22 sing N N 124 
ASN   OXT  HXT  sing N N 125 
ASP   N    CA   sing N N 126 
ASP   N    H    sing N N 127 
ASP   N    H2   sing N N 128 
ASP   CA   C    sing N N 129 
ASP   CA   CB   sing N N 130 
ASP   CA   HA   sing N N 131 
ASP   C    O    doub N N 132 
ASP   C    OXT  sing N N 133 
ASP   CB   CG   sing N N 134 
ASP   CB   HB2  sing N N 135 
ASP   CB   HB3  sing N N 136 
ASP   CG   OD1  doub N N 137 
ASP   CG   OD2  sing N N 138 
ASP   OD2  HD2  sing N N 139 
ASP   OXT  HXT  sing N N 140 
GLN   N    CA   sing N N 141 
GLN   N    H    sing N N 142 
GLN   N    H2   sing N N 143 
GLN   CA   C    sing N N 144 
GLN   CA   CB   sing N N 145 
GLN   CA   HA   sing N N 146 
GLN   C    O    doub N N 147 
GLN   C    OXT  sing N N 148 
GLN   CB   CG   sing N N 149 
GLN   CB   HB2  sing N N 150 
GLN   CB   HB3  sing N N 151 
GLN   CG   CD   sing N N 152 
GLN   CG   HG2  sing N N 153 
GLN   CG   HG3  sing N N 154 
GLN   CD   OE1  doub N N 155 
GLN   CD   NE2  sing N N 156 
GLN   NE2  HE21 sing N N 157 
GLN   NE2  HE22 sing N N 158 
GLN   OXT  HXT  sing N N 159 
GLU   N    CA   sing N N 160 
GLU   N    H    sing N N 161 
GLU   N    H2   sing N N 162 
GLU   CA   C    sing N N 163 
GLU   CA   CB   sing N N 164 
GLU   CA   HA   sing N N 165 
GLU   C    O    doub N N 166 
GLU   C    OXT  sing N N 167 
GLU   CB   CG   sing N N 168 
GLU   CB   HB2  sing N N 169 
GLU   CB   HB3  sing N N 170 
GLU   CG   CD   sing N N 171 
GLU   CG   HG2  sing N N 172 
GLU   CG   HG3  sing N N 173 
GLU   CD   OE1  doub N N 174 
GLU   CD   OE2  sing N N 175 
GLU   OE2  HE2  sing N N 176 
GLU   OXT  HXT  sing N N 177 
GLY   N    CA   sing N N 178 
GLY   N    H    sing N N 179 
GLY   N    H2   sing N N 180 
GLY   CA   C    sing N N 181 
GLY   CA   HA2  sing N N 182 
GLY   CA   HA3  sing N N 183 
GLY   C    O    doub N N 184 
GLY   C    OXT  sing N N 185 
GLY   OXT  HXT  sing N N 186 
HIS   N    CA   sing N N 187 
HIS   N    H    sing N N 188 
HIS   N    H2   sing N N 189 
HIS   CA   C    sing N N 190 
HIS   CA   CB   sing N N 191 
HIS   CA   HA   sing N N 192 
HIS   C    O    doub N N 193 
HIS   C    OXT  sing N N 194 
HIS   CB   CG   sing N N 195 
HIS   CB   HB2  sing N N 196 
HIS   CB   HB3  sing N N 197 
HIS   CG   ND1  sing Y N 198 
HIS   CG   CD2  doub Y N 199 
HIS   ND1  CE1  doub Y N 200 
HIS   ND1  HD1  sing N N 201 
HIS   CD2  NE2  sing Y N 202 
HIS   CD2  HD2  sing N N 203 
HIS   CE1  NE2  sing Y N 204 
HIS   CE1  HE1  sing N N 205 
HIS   NE2  HE2  sing N N 206 
HIS   OXT  HXT  sing N N 207 
HOH   O    H1   sing N N 208 
HOH   O    H2   sing N N 209 
ILE   N    CA   sing N N 210 
ILE   N    H    sing N N 211 
ILE   N    H2   sing N N 212 
ILE   CA   C    sing N N 213 
ILE   CA   CB   sing N N 214 
ILE   CA   HA   sing N N 215 
ILE   C    O    doub N N 216 
ILE   C    OXT  sing N N 217 
ILE   CB   CG1  sing N N 218 
ILE   CB   CG2  sing N N 219 
ILE   CB   HB   sing N N 220 
ILE   CG1  CD1  sing N N 221 
ILE   CG1  HG12 sing N N 222 
ILE   CG1  HG13 sing N N 223 
ILE   CG2  HG21 sing N N 224 
ILE   CG2  HG22 sing N N 225 
ILE   CG2  HG23 sing N N 226 
ILE   CD1  HD11 sing N N 227 
ILE   CD1  HD12 sing N N 228 
ILE   CD1  HD13 sing N N 229 
ILE   OXT  HXT  sing N N 230 
LEU   N    CA   sing N N 231 
LEU   N    H    sing N N 232 
LEU   N    H2   sing N N 233 
LEU   CA   C    sing N N 234 
LEU   CA   CB   sing N N 235 
LEU   CA   HA   sing N N 236 
LEU   C    O    doub N N 237 
LEU   C    OXT  sing N N 238 
LEU   CB   CG   sing N N 239 
LEU   CB   HB2  sing N N 240 
LEU   CB   HB3  sing N N 241 
LEU   CG   CD1  sing N N 242 
LEU   CG   CD2  sing N N 243 
LEU   CG   HG   sing N N 244 
LEU   CD1  HD11 sing N N 245 
LEU   CD1  HD12 sing N N 246 
LEU   CD1  HD13 sing N N 247 
LEU   CD2  HD21 sing N N 248 
LEU   CD2  HD22 sing N N 249 
LEU   CD2  HD23 sing N N 250 
LEU   OXT  HXT  sing N N 251 
LYS   N    CA   sing N N 252 
LYS   N    H    sing N N 253 
LYS   N    H2   sing N N 254 
LYS   CA   C    sing N N 255 
LYS   CA   CB   sing N N 256 
LYS   CA   HA   sing N N 257 
LYS   C    O    doub N N 258 
LYS   C    OXT  sing N N 259 
LYS   CB   CG   sing N N 260 
LYS   CB   HB2  sing N N 261 
LYS   CB   HB3  sing N N 262 
LYS   CG   CD   sing N N 263 
LYS   CG   HG2  sing N N 264 
LYS   CG   HG3  sing N N 265 
LYS   CD   CE   sing N N 266 
LYS   CD   HD2  sing N N 267 
LYS   CD   HD3  sing N N 268 
LYS   CE   NZ   sing N N 269 
LYS   CE   HE2  sing N N 270 
LYS   CE   HE3  sing N N 271 
LYS   NZ   HZ1  sing N N 272 
LYS   NZ   HZ2  sing N N 273 
LYS   NZ   HZ3  sing N N 274 
LYS   OXT  HXT  sing N N 275 
MET   N    CA   sing N N 276 
MET   N    H    sing N N 277 
MET   N    H2   sing N N 278 
MET   CA   C    sing N N 279 
MET   CA   CB   sing N N 280 
MET   CA   HA   sing N N 281 
MET   C    O    doub N N 282 
MET   C    OXT  sing N N 283 
MET   CB   CG   sing N N 284 
MET   CB   HB2  sing N N 285 
MET   CB   HB3  sing N N 286 
MET   CG   SD   sing N N 287 
MET   CG   HG2  sing N N 288 
MET   CG   HG3  sing N N 289 
MET   SD   CE   sing N N 290 
MET   CE   HE1  sing N N 291 
MET   CE   HE2  sing N N 292 
MET   CE   HE3  sing N N 293 
MET   OXT  HXT  sing N N 294 
PHE   N    CA   sing N N 295 
PHE   N    H    sing N N 296 
PHE   N    H2   sing N N 297 
PHE   CA   C    sing N N 298 
PHE   CA   CB   sing N N 299 
PHE   CA   HA   sing N N 300 
PHE   C    O    doub N N 301 
PHE   C    OXT  sing N N 302 
PHE   CB   CG   sing N N 303 
PHE   CB   HB2  sing N N 304 
PHE   CB   HB3  sing N N 305 
PHE   CG   CD1  doub Y N 306 
PHE   CG   CD2  sing Y N 307 
PHE   CD1  CE1  sing Y N 308 
PHE   CD1  HD1  sing N N 309 
PHE   CD2  CE2  doub Y N 310 
PHE   CD2  HD2  sing N N 311 
PHE   CE1  CZ   doub Y N 312 
PHE   CE1  HE1  sing N N 313 
PHE   CE2  CZ   sing Y N 314 
PHE   CE2  HE2  sing N N 315 
PHE   CZ   HZ   sing N N 316 
PHE   OXT  HXT  sing N N 317 
PRO   N    CA   sing N N 318 
PRO   N    CD   sing N N 319 
PRO   N    H    sing N N 320 
PRO   CA   C    sing N N 321 
PRO   CA   CB   sing N N 322 
PRO   CA   HA   sing N N 323 
PRO   C    O    doub N N 324 
PRO   C    OXT  sing N N 325 
PRO   CB   CG   sing N N 326 
PRO   CB   HB2  sing N N 327 
PRO   CB   HB3  sing N N 328 
PRO   CG   CD   sing N N 329 
PRO   CG   HG2  sing N N 330 
PRO   CG   HG3  sing N N 331 
PRO   CD   HD2  sing N N 332 
PRO   CD   HD3  sing N N 333 
PRO   OXT  HXT  sing N N 334 
SER   N    CA   sing N N 335 
SER   N    H    sing N N 336 
SER   N    H2   sing N N 337 
SER   CA   C    sing N N 338 
SER   CA   CB   sing N N 339 
SER   CA   HA   sing N N 340 
SER   C    O    doub N N 341 
SER   C    OXT  sing N N 342 
SER   CB   OG   sing N N 343 
SER   CB   HB2  sing N N 344 
SER   CB   HB3  sing N N 345 
SER   OG   HG   sing N N 346 
SER   OXT  HXT  sing N N 347 
SO4   S    O1   doub N N 348 
SO4   S    O2   doub N N 349 
SO4   S    O3   sing N N 350 
SO4   S    O4   sing N N 351 
THR   N    CA   sing N N 352 
THR   N    H    sing N N 353 
THR   N    H2   sing N N 354 
THR   CA   C    sing N N 355 
THR   CA   CB   sing N N 356 
THR   CA   HA   sing N N 357 
THR   C    O    doub N N 358 
THR   C    OXT  sing N N 359 
THR   CB   OG1  sing N N 360 
THR   CB   CG2  sing N N 361 
THR   CB   HB   sing N N 362 
THR   OG1  HG1  sing N N 363 
THR   CG2  HG21 sing N N 364 
THR   CG2  HG22 sing N N 365 
THR   CG2  HG23 sing N N 366 
THR   OXT  HXT  sing N N 367 
TRP   N    CA   sing N N 368 
TRP   N    H    sing N N 369 
TRP   N    H2   sing N N 370 
TRP   CA   C    sing N N 371 
TRP   CA   CB   sing N N 372 
TRP   CA   HA   sing N N 373 
TRP   C    O    doub N N 374 
TRP   C    OXT  sing N N 375 
TRP   CB   CG   sing N N 376 
TRP   CB   HB2  sing N N 377 
TRP   CB   HB3  sing N N 378 
TRP   CG   CD1  doub Y N 379 
TRP   CG   CD2  sing Y N 380 
TRP   CD1  NE1  sing Y N 381 
TRP   CD1  HD1  sing N N 382 
TRP   CD2  CE2  doub Y N 383 
TRP   CD2  CE3  sing Y N 384 
TRP   NE1  CE2  sing Y N 385 
TRP   NE1  HE1  sing N N 386 
TRP   CE2  CZ2  sing Y N 387 
TRP   CE3  CZ3  doub Y N 388 
TRP   CE3  HE3  sing N N 389 
TRP   CZ2  CH2  doub Y N 390 
TRP   CZ2  HZ2  sing N N 391 
TRP   CZ3  CH2  sing Y N 392 
TRP   CZ3  HZ3  sing N N 393 
TRP   CH2  HH2  sing N N 394 
TRP   OXT  HXT  sing N N 395 
TYR   N    CA   sing N N 396 
TYR   N    H    sing N N 397 
TYR   N    H2   sing N N 398 
TYR   CA   C    sing N N 399 
TYR   CA   CB   sing N N 400 
TYR   CA   HA   sing N N 401 
TYR   C    O    doub N N 402 
TYR   C    OXT  sing N N 403 
TYR   CB   CG   sing N N 404 
TYR   CB   HB2  sing N N 405 
TYR   CB   HB3  sing N N 406 
TYR   CG   CD1  doub Y N 407 
TYR   CG   CD2  sing Y N 408 
TYR   CD1  CE1  sing Y N 409 
TYR   CD1  HD1  sing N N 410 
TYR   CD2  CE2  doub Y N 411 
TYR   CD2  HD2  sing N N 412 
TYR   CE1  CZ   doub Y N 413 
TYR   CE1  HE1  sing N N 414 
TYR   CE2  CZ   sing Y N 415 
TYR   CE2  HE2  sing N N 416 
TYR   CZ   OH   sing N N 417 
TYR   OH   HH   sing N N 418 
TYR   OXT  HXT  sing N N 419 
VAL   N    CA   sing N N 420 
VAL   N    H    sing N N 421 
VAL   N    H2   sing N N 422 
VAL   CA   C    sing N N 423 
VAL   CA   CB   sing N N 424 
VAL   CA   HA   sing N N 425 
VAL   C    O    doub N N 426 
VAL   C    OXT  sing N N 427 
VAL   CB   CG1  sing N N 428 
VAL   CB   CG2  sing N N 429 
VAL   CB   HB   sing N N 430 
VAL   CG1  HG11 sing N N 431 
VAL   CG1  HG12 sing N N 432 
VAL   CG1  HG13 sing N N 433 
VAL   CG2  HG21 sing N N 434 
VAL   CG2  HG22 sing N N 435 
VAL   CG2  HG23 sing N N 436 
VAL   OXT  HXT  sing N N 437 
# 
_pdbx_audit_support.funding_organization   'Swiss National Science Foundation' 
_pdbx_audit_support.country                Switzerland 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   8P5Y 
_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                    9FNR 
_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]   0.017513 
_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]   0.017513 
_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]   0.005807 
_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.
;
? 
CL ? ? 9.50761  7.44341 ? ? 1.04373  23.83732 ? ? 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  ? ? ?        ?       ? ? ?        ?        ? ? ?   ? ? 
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.
;
? 
NI ? ? 22.93579 4.97432 ? ? 2.39430  34.99046 ? ? 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  ? -11.27771 -24.11092 -13.85550 1.000 82.58331  ? 11  GLY   A N    1 
ATOM   2    C  CA   . GLY   A 1 11  ? -10.05575 -23.37211 -13.60589 1.000 83.06882  ? 11  GLY   A CA   1 
ATOM   3    C  C    . GLY   A 1 11  ? -8.84130  -24.04849 -14.19991 1.000 88.02515  ? 11  GLY   A C    1 
ATOM   4    O  O    . GLY   A 1 11  ? -8.65634  -25.25132 -14.03655 1.000 86.55247  ? 11  GLY   A O    1 
ATOM   5    H  H    . GLY   A 1 11  ? -11.68319 -24.36768 -13.14188 1.000 99.09997  ? 11  GLY   A H    1 
ATOM   6    H  HA2  . GLY   A 1 11  ? -10.13208 -22.48595 -13.99292 1.000 99.68259  ? 11  GLY   A HA2  1 
ATOM   7    H  HA3  . GLY   A 1 11  ? -9.92153  -23.28827 -12.64889 1.000 99.68259  ? 11  GLY   A HA3  1 
ATOM   8    N  N    . ARG   A 1 12  ? -8.01983  -23.27147 -14.91084 1.000 93.81905  ? 12  ARG   A N    1 
ATOM   9    C  CA   . ARG   A 1 12  ? -6.77587  -23.80976 -15.45966 1.000 99.36446  ? 12  ARG   A CA   1 
ATOM   10   C  C    . ARG   A 1 12  ? -5.79823  -24.17030 -14.34508 1.000 99.15549  ? 12  ARG   A C    1 
ATOM   11   O  O    . ARG   A 1 12  ? -5.17390  -25.23870 -14.37373 1.000 100.08412 ? 12  ARG   A O    1 
ATOM   12   C  CB   . ARG   A 1 12  ? -6.15096  -22.79421 -16.42272 1.000 104.56632 ? 12  ARG   A CB   1 
ATOM   13   C  CG   . ARG   A 1 12  ? -4.99245  -23.32199 -17.27289 1.000 110.59467 ? 12  ARG   A CG   1 
ATOM   14   C  CD   . ARG   A 1 12  ? -3.61368  -23.01468 -16.66683 1.000 117.14997 ? 12  ARG   A CD   1 
ATOM   15   N  NE   . ARG   A 1 12  ? -3.20133  -21.62017 -16.81954 1.000 122.69648 ? 12  ARG   A NE   1 
ATOM   16   C  CZ   . ARG   A 1 12  ? -2.43599  -21.15669 -17.80303 1.000 125.32785 ? 12  ARG   A CZ   1 
ATOM   17   N  NH1  . ARG   A 1 12  ? -1.99066  -21.94741 -18.76914 1.000 127.67615 ? 12  ARG   A NH1  1 
ATOM   18   N  NH2  . ARG   A 1 12  ? -2.10444  -19.86697 -17.81534 1.000 124.08233 ? 12  ARG   A NH2  1 
ATOM   19   H  H    . ARG   A 1 12  ? -8.15794  -22.44112 -15.08705 1.000 112.58286 ? 12  ARG   A H    1 
ATOM   20   H  HA   . ARG   A 1 12  ? -6.97097  -24.61715 -15.96061 1.000 119.23735 ? 12  ARG   A HA   1 
ATOM   21   H  HB2  . ARG   A 1 12  ? -6.84027  -22.48711 -17.03218 1.000 125.47958 ? 12  ARG   A HB2  1 
ATOM   22   H  HB3  . ARG   A 1 12  ? -5.81181  -22.04890 -15.90274 1.000 125.47958 ? 12  ARG   A HB3  1 
ATOM   23   H  HG2  . ARG   A 1 12  ? -5.07445  -24.28503 -17.35493 1.000 132.71360 ? 12  ARG   A HG2  1 
ATOM   24   H  HG3  . ARG   A 1 12  ? -5.03145  -22.90978 -18.15008 1.000 132.71360 ? 12  ARG   A HG3  1 
ATOM   25   H  HD2  . ARG   A 1 12  ? -3.63813  -23.21345 -15.71773 1.000 140.57997 ? 12  ARG   A HD2  1 
ATOM   26   H  HD3  . ARG   A 1 12  ? -2.94912  -23.56909 -17.10488 1.000 140.57997 ? 12  ARG   A HD3  1 
ATOM   27   H  HE   . ARG   A 1 12  ? -3.47426  -21.05767 -16.22902 1.000 147.23577 ? 12  ARG   A HE   1 
ATOM   28   H  HH11 . ARG   A 1 12  ? -1.49681  -21.62521 -19.39517 0.000 153.21138 ? 12  ARG   A HH11 1 
ATOM   29   H  HH12 . ARG   A 1 12  ? -2.19556  -22.78264 -18.76995 0.000 153.21138 ? 12  ARG   A HH12 1 
ATOM   30   H  HH21 . ARG   A 1 12  ? -1.60990  -19.55613 -18.44653 1.000 148.89880 ? 12  ARG   A HH21 1 
ATOM   31   H  HH22 . ARG   A 1 12  ? -2.38488  -19.34493 -17.19209 1.000 148.89880 ? 12  ARG   A HH22 1 
ATOM   32   N  N    . ASP   A 1 13  ? -5.65892  -23.29407 -13.35008 1.000 96.31940  ? 13  ASP   A N    1 
ATOM   33   C  CA   . ASP   A 1 13  ? -4.80303  -23.53703 -12.19745 1.000 89.49646  ? 13  ASP   A CA   1 
ATOM   34   C  C    . ASP   A 1 13  ? -5.61043  -23.86670 -10.95272 1.000 77.96785  ? 13  ASP   A C    1 
ATOM   35   O  O    . ASP   A 1 13  ? -5.12613  -23.67945 -9.83589  1.000 74.33944  ? 13  ASP   A O    1 
ATOM   36   C  CB   . ASP   A 1 13  ? -3.90021  -22.32927 -11.95192 1.000 91.72749  ? 13  ASP   A CB   1 
ATOM   37   C  CG   . ASP   A 1 13  ? -2.83706  -22.18648 -13.01875 1.000 92.89998  ? 13  ASP   A CG   1 
ATOM   38   O  OD1  . ASP   A 1 13  ? -2.18418  -23.20413 -13.34212 1.000 93.06410  ? 13  ASP   A OD1  1 
ATOM   39   O  OD2  . ASP   A 1 13  ? -2.66672  -21.06973 -13.54835 1.000 93.86121  ? 13  ASP   A OD2  1 
ATOM   40   H  H    . ASP   A 1 13  ? -6.06116  -22.53443 -13.32273 1.000 115.58328 ? 13  ASP   A H    1 
ATOM   41   H  HA   . ASP   A 1 13  ? -4.23167  -24.29830 -12.38433 1.000 107.39575 ? 13  ASP   A HA   1 
ATOM   42   H  HB2  . ASP   A 1 13  ? -4.43958  -21.52306 -11.95236 1.000 110.07299 ? 13  ASP   A HB2  1 
ATOM   43   H  HB3  . ASP   A 1 13  ? -3.45727  -22.43164 -11.09505 1.000 110.07299 ? 13  ASP   A HB3  1 
ATOM   44   N  N    . GLN   A 1 14  ? -6.84131  -24.34503 -11.13031 1.000 72.76395  ? 14  GLN   A N    1 
ATOM   45   C  CA   . GLN   A 1 14  ? -7.61843  -24.84429 -10.00345 1.000 70.88592  ? 14  GLN   A CA   1 
ATOM   46   C  C    . GLN   A 1 14  ? -6.84673  -25.90445 -9.22037  1.000 68.75372  ? 14  GLN   A C    1 
ATOM   47   O  O    . GLN   A 1 14  ? -6.88770  -25.92436 -7.98651  1.000 71.31835  ? 14  GLN   A O    1 
ATOM   48   C  CB   . GLN   A 1 14  ? -8.94528  -25.39828 -10.51799 1.000 68.93984  ? 14  GLN   A CB   1 
ATOM   49   C  CG   . GLN   A 1 14  ? -9.75202  -26.17168 -9.51189  1.000 69.85246  ? 14  GLN   A CG   1 
ATOM   50   C  CD   . GLN   A 1 14  ? -11.09903 -26.58837 -10.07427 1.000 72.84552  ? 14  GLN   A CD   1 
ATOM   51   O  OE1  . GLN   A 1 14  ? -11.44379 -26.25541 -11.21652 1.000 73.31726  ? 14  GLN   A OE1  1 
ATOM   52   N  NE2  . GLN   A 1 14  ? -11.87305 -27.31518 -9.27355  1.000 74.00055  ? 14  GLN   A NE2  1 
ATOM   53   H  H    . GLN   A 1 14  ? -7.24527  -24.39064 -11.88816 1.000 87.31675  ? 14  GLN   A H    1 
ATOM   54   H  HA   . GLN   A 1 14  ? -7.80869  -24.11632 -9.39127  1.000 85.06311  ? 14  GLN   A HA   1 
ATOM   55   H  HB2  . GLN   A 1 14  ? -9.49162  -24.65476 -10.81731 1.000 82.72781  ? 14  GLN   A HB2  1 
ATOM   56   H  HB3  . GLN   A 1 14  ? -8.76043  -25.99424 -11.26067 1.000 82.72781  ? 14  GLN   A HB3  1 
ATOM   57   H  HG2  . GLN   A 1 14  ? -9.26645  -26.97259 -9.25957  1.000 83.82295  ? 14  GLN   A HG2  1 
ATOM   58   H  HG3  . GLN   A 1 14  ? -9.90637  -25.61742 -8.73095  1.000 83.82295  ? 14  GLN   A HG3  1 
ATOM   59   H  HE21 . GLN   A 1 14  ? -11.60044 -27.52348 -8.48495  0.000 88.80066  ? 14  GLN   A HE21 1 
ATOM   60   H  HE22 . GLN   A 1 14  ? -12.64621 -27.57691 -9.54434  0.000 88.80066  ? 14  GLN   A HE22 1 
ATOM   61   N  N    . ALA   A 1 15  ? -6.13828  -26.79832 -9.91641  1.000 61.35843  ? 15  ALA   A N    1 
ATOM   62   C  CA   . ALA   A 1 15  ? -5.33219  -27.79363 -9.21342  1.000 57.66303  ? 15  ALA   A CA   1 
ATOM   63   C  C    . ALA   A 1 15  ? -4.02328  -27.19608 -8.70128  1.000 60.01212  ? 15  ALA   A C    1 
ATOM   64   O  O    . ALA   A 1 15  ? -3.58395  -27.50814 -7.58079  1.000 63.06733  ? 15  ALA   A O    1 
ATOM   65   C  CB   . ALA   A 1 15  ? -5.05189  -28.98087 -10.13185 1.000 58.60864  ? 15  ALA   A CB   1 
ATOM   66   H  H    . ALA   A 1 15  ? -6.10912  -26.84719 -10.77452 1.000 73.63012  ? 15  ALA   A H    1 
ATOM   67   H  HA   . ALA   A 1 15  ? -5.83272  -28.11699 -8.44804  1.000 69.19564  ? 15  ALA   A HA   1 
ATOM   68   H  HB1  . ALA   A 1 15  ? -4.60755  -29.67637 -9.62222  1.000 70.33036  ? 15  ALA   A HB1  1 
ATOM   69   H  HB2  . ALA   A 1 15  ? -5.89255  -29.31389 -10.48296 1.000 70.33036  ? 15  ALA   A HB2  1 
ATOM   70   H  HB3  . ALA   A 1 15  ? -4.48166  -28.68895 -10.86022 1.000 70.33036  ? 15  ALA   A HB3  1 
ATOM   71   N  N    . GLY   A 1 16  ? -3.40169  -26.32351 -9.50505  1.000 54.19851  ? 16  GLY   A N    1 
ATOM   72   C  CA   . GLY   A 1 16  ? -2.19096  -25.65109 -9.06614  1.000 41.61521  ? 16  GLY   A CA   1 
ATOM   73   C  C    . GLY   A 1 16  ? -2.37713  -24.90456 -7.76189  1.000 34.34611  ? 16  GLY   A C    1 
ATOM   74   O  O    . GLY   A 1 16  ? -1.51893  -24.96178 -6.88498  1.000 36.42524  ? 16  GLY   A O    1 
ATOM   75   H  H    . GLY   A 1 16  ? -3.66200  -26.11080 -10.29663 1.000 65.03821  ? 16  GLY   A H    1 
ATOM   76   H  HA2  . GLY   A 1 16  ? -1.48728  -26.30737 -8.94350  1.000 49.93825  ? 16  GLY   A HA2  1 
ATOM   77   H  HA3  . GLY   A 1 16  ? -1.91477  -25.01492 -9.74430  1.000 49.93825  ? 16  GLY   A HA3  1 
ATOM   78   N  N    . ILE   A 1 17  ? -3.50176  -24.19549 -7.61586  1.000 34.31939  ? 17  ILE   A N    1 
ATOM   79   C  CA   . ILE   A 1 17  ? -3.73308  -23.36646 -6.43774  1.000 33.59701  ? 17  ILE   A CA   1 
ATOM   80   C  C    . ILE   A 1 17  ? -4.20321  -24.20200 -5.26199  1.000 30.46172  ? 17  ILE   A C    1 
ATOM   81   O  O    . ILE   A 1 17  ? -3.76472  -24.00045 -4.11940  1.000 33.98190  ? 17  ILE   A O    1 
ATOM   82   C  CB   . ILE   A 1 17  ? -4.75637  -22.26717 -6.78052  1.000 31.11518  ? 17  ILE   A CB   1 
ATOM   83   C  CG1  . ILE   A 1 17  ? -4.13421  -21.19463 -7.67388  1.000 33.01688  ? 17  ILE   A CG1  1 
ATOM   84   C  CG2  . ILE   A 1 17  ? -5.30120  -21.60846 -5.51060  1.000 31.97477  ? 17  ILE   A CG2  1 
ATOM   85   C  CD1  . ILE   A 1 17  ? -5.13569  -20.36043 -8.35945  1.000 37.90868  ? 17  ILE   A CD1  1 
ATOM   86   H  H    . ILE   A 1 17  ? -4.14490  -24.17932 -8.18658  1.000 41.18327  ? 17  ILE   A H    1 
ATOM   87   H  HA   . ILE   A 1 17  ? -2.89415  -22.95064 -6.18439  1.000 40.31641  ? 17  ILE   A HA   1 
ATOM   88   H  HB   . ILE   A 1 17  ? -5.48381  -22.69618 -7.25767  1.000 37.33822  ? 17  ILE   A HB   1 
ATOM   89   H  HG12 . ILE   A 1 17  ? -3.58312  -20.61198 -7.12824  1.000 39.62026  ? 17  ILE   A HG12 1 
ATOM   90   H  HG13 . ILE   A 1 17  ? -3.59076  -21.62642 -8.35146  1.000 39.62026  ? 17  ILE   A HG13 1 
ATOM   91   H  HG21 . ILE   A 1 17  ? -4.55693  -21.34794 -4.94573  1.000 38.36972  ? 17  ILE   A HG21 1 
ATOM   92   H  HG22 . ILE   A 1 17  ? -5.86527  -22.24370 -5.04242  1.000 38.36972  ? 17  ILE   A HG22 1 
ATOM   93   H  HG23 . ILE   A 1 17  ? -5.81860  -20.82607 -5.75773  1.000 38.36972  ? 17  ILE   A HG23 1 
ATOM   94   H  HD11 . ILE   A 1 17  ? -5.60876  -19.82900 -7.70014  1.000 45.49042  ? 17  ILE   A HD11 1 
ATOM   95   H  HD12 . ILE   A 1 17  ? -5.75896  -20.93682 -8.82872  1.000 45.49042  ? 17  ILE   A HD12 1 
ATOM   96   H  HD13 . ILE   A 1 17  ? -4.68362  -19.77882 -8.99053  1.000 45.49042  ? 17  ILE   A HD13 1 
ATOM   97   N  N    . THR   A 1 18  ? -5.12059  -25.11941 -5.51379  1.000 32.39055  ? 18  THR   A N    1 
ATOM   98   C  CA   . THR   A 1 18  ? -5.69073  -25.91146 -4.43812  1.000 35.37042  ? 18  THR   A CA   1 
ATOM   99   C  C    . THR   A 1 18  ? -4.58714  -26.64526 -3.69814  1.000 35.35236  ? 18  THR   A C    1 
ATOM   100  O  O    . THR   A 1 18  ? -3.75856  -27.32013 -4.30963  1.000 37.38706  ? 18  THR   A O    1 
ATOM   101  C  CB   . THR   A 1 18  ? -6.71116  -26.91405 -4.99491  1.000 34.18098  ? 18  THR   A CB   1 
ATOM   102  O  OG1  . THR   A 1 18  ? -7.83065  -26.20034 -5.53504  1.000 37.04726  ? 18  THR   A OG1  1 
ATOM   103  C  CG2  . THR   A 1 18  ? -7.19323  -27.83547 -3.86235  1.000 34.73819  ? 18  THR   A CG2  1 
ATOM   104  H  H    . THR   A 1 18  ? -5.42964  -25.30306 -6.29504  1.000 38.86866  ? 18  THR   A H    1 
ATOM   105  H  HA   . THR   A 1 18  ? -6.15321  -25.32786 -3.81648  1.000 42.44451  ? 18  THR   A HA   1 
ATOM   106  H  HB   . THR   A 1 18  ? -6.30821  -27.45390 -5.69283  1.000 41.01718  ? 18  THR   A HB   1 
ATOM   107  H  HG1  . THR   A 1 18  ? -7.56638  -25.63231 -6.09459  0.000 44.45671  ? 18  THR   A HG1  1 
ATOM   108  H  HG21 . THR   A 1 18  ? -8.04591  -28.23311 -4.09839  1.000 41.68583  ? 18  THR   A HG21 1 
ATOM   109  H  HG22 . THR   A 1 18  ? -7.29907  -27.32685 -3.04320  1.000 41.68583  ? 18  THR   A HG22 1 
ATOM   110  H  HG23 . THR   A 1 18  ? -6.54675  -28.54290 -3.71233  1.000 41.68583  ? 18  THR   A HG23 1 
ATOM   111  N  N    . GLY   A 1 19  ? -4.56314  -26.49362 -2.37770  1.000 31.36322  ? 19  GLY   A N    1 
ATOM   112  C  CA   . GLY   A 1 19  ? -3.65655  -27.21513 -1.51605  1.000 32.70404  ? 19  GLY   A CA   1 
ATOM   113  C  C    . GLY   A 1 19  ? -3.19541  -26.32526 -0.38736  1.000 35.31103  ? 19  GLY   A C    1 
ATOM   114  O  O    . GLY   A 1 19  ? -3.83450  -25.33562 -0.04103  1.000 31.58402  ? 19  GLY   A O    1 
ATOM   115  H  H    . GLY   A 1 19  ? -5.08325  -25.95843 -1.95033  1.000 37.63586  ? 19  GLY   A H    1 
ATOM   116  H  HA2  . GLY   A 1 19  ? -4.10262  -27.99142 -1.14283  1.000 39.24485  ? 19  GLY   A HA2  1 
ATOM   117  H  HA3  . GLY   A 1 19  ? -2.88268  -27.50846 -2.02200  1.000 39.24485  ? 19  GLY   A HA3  1 
ATOM   118  N  N    . THR   A 1 20  ? -2.03953  -26.66807 0.15712   1.000 33.79069  ? 20  THR   A N    1 
ATOM   119  C  CA   . THR   A 1 20  ? -1.47742  -25.98304 1.31223   1.000 32.86691  ? 20  THR   A CA   1 
ATOM   120  C  C    . THR   A 1 20  ? -0.27412  -25.13844 0.91387   1.000 32.75675  ? 20  THR   A C    1 
ATOM   121  O  O    . THR   A 1 20  ? 0.60773   -25.60247 0.17273   1.000 33.70778  ? 20  THR   A O    1 
ATOM   122  C  CB   . THR   A 1 20  ? -1.06552  -27.00934 2.36845   1.000 34.44998  ? 20  THR   A CB   1 
ATOM   123  O  OG1  . THR   A 1 20  ? -2.18391  -27.86091 2.67487   1.000 35.32770  ? 20  THR   A OG1  1 
ATOM   124  C  CG2  . THR   A 1 20  ? -0.57773  -26.31357 3.61670   1.000 33.01500  ? 20  THR   A CG2  1 
ATOM   125  H  H    . THR   A 1 20  ? -1.54793  -27.31184 -0.13184  1.000 40.54882  ? 20  THR   A H    1 
ATOM   126  H  HA   . THR   A 1 20  ? -2.14104  -25.37777 1.67850   1.000 39.44029  ? 20  THR   A HA   1 
ATOM   127  H  HB   . THR   A 1 20  ? -0.33933  -27.55717 2.03166   1.000 41.33998  ? 20  THR   A HB   1 
ATOM   128  H  HG1  . THR   A 1 20  ? -1.91180  -28.62483 2.89391   0.000 42.39324  ? 20  THR   A HG1  1 
ATOM   129  H  HG21 . THR   A 1 20  ? -0.47264  -26.95653 4.33535   1.000 39.61800  ? 20  THR   A HG21 1 
ATOM   130  H  HG22 . THR   A 1 20  ? -1.21658  -25.63698 3.89055   1.000 39.61800  ? 20  THR   A HG22 1 
ATOM   131  H  HG23 . THR   A 1 20  ? 0.27754   -25.88861 3.44694   1.000 39.61800  ? 20  THR   A HG23 1 
ATOM   132  N  N    . TRP   A 1 21  ? -0.24773  -23.90818 1.42499   1.000 32.13027  ? 21  TRP   A N    1 
ATOM   133  C  CA   . TRP   A 1 21  ? 0.77481   -22.92577 1.13395   1.000 29.17406  ? 21  TRP   A CA   1 
ATOM   134  C  C    . TRP   A 1 21  ? 1.34647   -22.41743 2.44611   1.000 28.19310  ? 21  TRP   A C    1 
ATOM   135  O  O    . TRP   A 1 21  ? 0.64799   -22.34474 3.45739   1.000 30.54970  ? 21  TRP   A O    1 
ATOM   136  C  CB   . TRP   A 1 21  ? 0.18992   -21.78628 0.32212   1.000 30.32942  ? 21  TRP   A CB   1 
ATOM   137  C  CG   . TRP   A 1 21  ? -0.25418  -22.22234 -1.00977  1.000 30.12046  ? 21  TRP   A CG   1 
ATOM   138  C  CD1  . TRP   A 1 21  ? -1.47082  -22.75314 -1.34229  1.000 28.09579  ? 21  TRP   A CD1  1 
ATOM   139  C  CD2  . TRP   A 1 21  ? 0.52407   -22.20001 -2.20694  1.000 32.92281  ? 21  TRP   A CD2  1 
ATOM   140  N  NE1  . TRP   A 1 21  ? -1.50076  -23.03848 -2.68578  1.000 30.70514  ? 21  TRP   A NE1  1 
ATOM   141  C  CE2  . TRP   A 1 21  ? -0.28329  -22.70895 -3.23482  1.000 30.69214  ? 21  TRP   A CE2  1 
ATOM   142  C  CE3  . TRP   A 1 21  ? 1.83561   -21.79321 -2.50838  1.000 31.91494  ? 21  TRP   A CE3  1 
ATOM   143  C  CZ2  . TRP   A 1 21  ? 0.17504   -22.83974 -4.54144  1.000 31.07018  ? 21  TRP   A CZ2  1 
ATOM   144  C  CZ3  . TRP   A 1 21  ? 2.28058   -21.90311 -3.80651  1.000 32.04600  ? 21  TRP   A CZ3  1 
ATOM   145  C  CH2  . TRP   A 1 21  ? 1.45798   -22.43740 -4.80662  1.000 32.27556  ? 21  TRP   A CH2  1 
ATOM   146  H  H    . TRP   A 1 21  ? -0.84412  -23.61158 1.96901   1.000 38.55633  ? 21  TRP   A H    1 
ATOM   147  H  HA   . TRP   A 1 21  ? 1.50360   -23.31424 0.62517   1.000 35.00887  ? 21  TRP   A HA   1 
ATOM   148  H  HB2  . TRP   A 1 21  ? -0.57640  -21.42191 0.79212   1.000 36.39531  ? 21  TRP   A HB2  1 
ATOM   149  H  HB3  . TRP   A 1 21  ? 0.86510   -21.09960 0.20595   1.000 36.39531  ? 21  TRP   A HB3  1 
ATOM   150  H  HD1  . TRP   A 1 21  ? -2.17159  -22.89874 -0.74846  1.000 33.71495  ? 21  TRP   A HD1  1 
ATOM   151  H  HE1  . TRP   A 1 21  ? -2.17014  -23.36862 -3.11303  1.000 36.84617  ? 21  TRP   A HE1  1 
ATOM   152  H  HE3  . TRP   A 1 21  ? 2.39192   -21.45633 -1.84360  1.000 38.29793  ? 21  TRP   A HE3  1 
ATOM   153  H  HZ2  . TRP   A 1 21  ? -0.36916  -23.18747 -5.21064  1.000 37.28421  ? 21  TRP   A HZ2  1 
ATOM   154  H  HZ3  . TRP   A 1 21  ? 3.13927   -21.61867 -4.02250  1.000 38.45520  ? 21  TRP   A HZ3  1 
ATOM   155  H  HH2  . TRP   A 1 21  ? 1.79041   -22.52108 -5.67113  1.000 38.73067  ? 21  TRP   A HH2  1 
ATOM   156  N  N    . TYR   A 1 22  ? 2.62852   -22.08115 2.42099   1.000 30.41220  ? 22  TYR   A N    1 
ATOM   157  C  CA   . TYR   A 1 22  ? 3.34682   -21.61463 3.59820   1.000 29.58465  ? 22  TYR   A CA   1 
ATOM   158  C  C    . TYR   A 1 22  ? 4.05424   -20.32795 3.23475   1.000 33.75824  ? 22  TYR   A C    1 
ATOM   159  O  O    . TYR   A 1 22  ? 4.72506   -20.27939 2.19628   1.000 35.91631  ? 22  TYR   A O    1 
ATOM   160  C  CB   . TYR   A 1 22  ? 4.40382   -22.62274 4.06466   1.000 30.47686  ? 22  TYR   A CB   1 
ATOM   161  C  CG   . TYR   A 1 22  ? 3.87505   -24.00536 4.27001   1.000 31.36846  ? 22  TYR   A CG   1 
ATOM   162  C  CD1  . TYR   A 1 22  ? 3.26239   -24.36325 5.45496   1.000 34.64310  ? 22  TYR   A CD1  1 
ATOM   163  C  CD2  . TYR   A 1 22  ? 3.97058   -24.95625 3.27214   1.000 33.85878  ? 22  TYR   A CD2  1 
ATOM   164  C  CE1  . TYR   A 1 22  ? 2.76383   -25.64526 5.64763   1.000 35.35053  ? 22  TYR   A CE1  1 
ATOM   165  C  CE2  . TYR   A 1 22  ? 3.46256   -26.23667 3.44059   1.000 34.86381  ? 22  TYR   A CE2  1 
ATOM   166  C  CZ   . TYR   A 1 22  ? 2.88676   -26.58875 4.64460   1.000 33.40288  ? 22  TYR   A CZ   1 
ATOM   167  O  OH   . TYR   A 1 22  ? 2.37830   -27.85889 4.85832   1.000 35.41659  ? 22  TYR   A OH   1 
ATOM   168  H  H    . TYR   A 1 22  ? 3.11736   -22.11567 1.71428   1.000 36.49463  ? 22  TYR   A H    1 
ATOM   169  H  HA   . TYR   A 1 22  ? 2.71259   -21.46977 4.31769   1.000 35.50158  ? 22  TYR   A HA   1 
ATOM   170  H  HB2  . TYR   A 1 22  ? 5.10436   -22.67096 3.39547   1.000 36.57223  ? 22  TYR   A HB2  1 
ATOM   171  H  HB3  . TYR   A 1 22  ? 4.77201   -22.31905 4.90912   1.000 36.57223  ? 22  TYR   A HB3  1 
ATOM   172  H  HD1  . TYR   A 1 22  ? 3.18227   -23.73481 6.13581   1.000 41.57172  ? 22  TYR   A HD1  1 
ATOM   173  H  HD2  . TYR   A 1 22  ? 4.38453   -24.73326 2.46975   1.000 40.63053  ? 22  TYR   A HD2  1 
ATOM   174  H  HE1  . TYR   A 1 22  ? 2.34843   -25.86838 6.44923   1.000 42.42063  ? 22  TYR   A HE1  1 
ATOM   175  H  HE2  . TYR   A 1 22  ? 3.50980   -26.85377 2.74643   1.000 41.83657  ? 22  TYR   A HE2  1 
ATOM   176  H  HH   . TYR   A 1 22  ? 2.87231   -28.43141 4.49258   0.000 42.49991  ? 22  TYR   A HH   1 
ATOM   177  N  N    . ASN   A 1 23  ? 3.93799   -19.30122 4.08130   1.000 34.55670  ? 23  ASN   A N    1 
ATOM   178  C  CA   . ASN   A 1 23  ? 4.65009   -18.05693 3.80823   1.000 38.24039  ? 23  ASN   A CA   1 
ATOM   179  C  C    . ASN   A 1 23  ? 6.03756   -18.08147 4.45882   1.000 43.66270  ? 23  ASN   A C    1 
ATOM   180  O  O    . ASN   A 1 23  ? 6.45925   -19.05936 5.08968   1.000 41.47151  ? 23  ASN   A O    1 
ATOM   181  C  CB   . ASN   A 1 23  ? 3.82227   -16.83766 4.24151   1.000 43.62197  ? 23  ASN   A CB   1 
ATOM   182  C  CG   . ASN   A 1 23  ? 3.79137   -16.63173 5.75360   1.000 46.97544  ? 23  ASN   A CG   1 
ATOM   183  O  OD1  . ASN   A 1 23  ? 4.30313   -17.44374 6.52670   1.000 48.32940  ? 23  ASN   A OD1  1 
ATOM   184  N  ND2  . ASN   A 1 23  ? 3.17925   -15.53831 6.17840   1.000 49.99327  ? 23  ASN   A ND2  1 
ATOM   185  H  H    . ASN   A 1 23  ? 3.46518   -19.30378 4.79967   1.000 41.46804  ? 23  ASN   A H    1 
ATOM   186  H  HA   . ASN   A 1 23  ? 4.77881   -17.98248 2.84969   1.000 45.88847  ? 23  ASN   A HA   1 
ATOM   187  H  HB2  . ASN   A 1 23  ? 4.20408   -16.04103 3.84089   1.000 52.34636  ? 23  ASN   A HB2  1 
ATOM   188  H  HB3  . ASN   A 1 23  ? 2.90825   -16.95569 3.93898   1.000 52.34636  ? 23  ASN   A HB3  1 
ATOM   189  H  HD21 . ASN   A 1 23  ? 2.82880   -14.99415 5.61212   0.000 59.99192  ? 23  ASN   A HD21 1 
ATOM   190  H  HD22 . ASN   A 1 23  ? 3.13185   -15.37178 7.02079   0.000 59.99192  ? 23  ASN   A HD22 1 
ATOM   191  N  N    . GLN   A 1 24  ? 6.77637   -16.99297 4.24972   1.000 46.62351  ? 24  GLN   A N    1 
ATOM   192  C  CA   . GLN   A 1 24  ? 8.14204   -16.89591 4.73902   1.000 53.41843  ? 24  GLN   A CA   1 
ATOM   193  C  C    . GLN   A 1 24  ? 8.19439   -16.85462 6.25499   1.000 55.92497  ? 24  GLN   A C    1 
ATOM   194  O  O    . GLN   A 1 24  ? 9.26097   -17.10757 6.82906   1.000 53.90879  ? 24  GLN   A O    1 
ATOM   195  C  CB   . GLN   A 1 24  ? 8.79332   -15.66441 4.10340   1.000 58.80207  ? 24  GLN   A CB   1 
ATOM   196  C  CG   . GLN   A 1 24  ? 8.25396   -14.27996 4.55766   1.000 64.37528  ? 24  GLN   A CG   1 
ATOM   197  C  CD   . GLN   A 1 24  ? 6.83620   -13.86437 4.05901   1.000 70.60368  ? 24  GLN   A CD   1 
ATOM   198  O  OE1  . GLN   A 1 24  ? 6.24223   -14.46467 3.15416   1.000 64.53128  ? 24  GLN   A OE1  1 
ATOM   199  N  NE2  . GLN   A 1 24  ? 6.31284   -12.78862 4.65543   1.000 73.32917  ? 24  GLN   A NE2  1 
ATOM   200  H  H    . GLN   A 1 24  ? 6.50570   -16.29580 3.82510   1.000 55.94822  ? 24  GLN   A H    1 
ATOM   201  H  HA   . GLN   A 1 24  ? 8.66827   -17.66561 4.47154   1.000 64.10211  ? 24  GLN   A HA   1 
ATOM   202  H  HB2  . GLN   A 1 24  ? 9.74020   -15.68299 4.31309   1.000 70.56248  ? 24  GLN   A HB2  1 
ATOM   203  H  HB3  . GLN   A 1 24  ? 8.66500   -15.71808 3.14342   1.000 70.56248  ? 24  GLN   A HB3  1 
ATOM   204  H  HG2  . GLN   A 1 24  ? 8.22227   -14.27574 5.52714   1.000 77.25034  ? 24  GLN   A HG2  1 
ATOM   205  H  HG3  . GLN   A 1 24  ? 8.87159   -13.60142 4.24297   1.000 77.25034  ? 24  GLN   A HG3  1 
ATOM   206  H  HE21 . GLN   A 1 24  ? 6.75567   -12.37852 5.26806   0.000 87.99500  ? 24  GLN   A HE21 1 
ATOM   207  H  HE22 . GLN   A 1 24  ? 5.53330   -12.50663 4.42652   0.000 87.99500  ? 24  GLN   A HE22 1 
ATOM   208  N  N    . LEU   A 1 25  ? 7.05557   -16.59634 6.90694   1.000 60.11153  ? 25  LEU   A N    1 
ATOM   209  C  CA   . LEU   A 1 25  ? 6.95614   -16.52956 8.35874   1.000 63.30340  ? 25  LEU   A CA   1 
ATOM   210  C  C    . LEU   A 1 25  ? 6.50558   -17.83655 9.00031   1.000 63.44073  ? 25  LEU   A C    1 
ATOM   211  O  O    . LEU   A 1 25  ? 6.47721   -17.92644 10.23548  1.000 60.72613  ? 25  LEU   A O    1 
ATOM   212  C  CB   . LEU   A 1 25  ? 5.96890   -15.43075 8.75460   1.000 64.57458  ? 25  LEU   A CB   1 
ATOM   213  C  CG   . LEU   A 1 25  ? 6.34103   -14.01570 8.32721   1.000 69.75568  ? 25  LEU   A CG   1 
ATOM   214  C  CD1  . LEU   A 1 25  ? 5.13955   -13.09071 8.39752   1.000 72.02952  ? 25  LEU   A CD1  1 
ATOM   215  C  CD2  . LEU   A 1 25  ? 7.47478   -13.53307 9.21967   1.000 71.21963  ? 25  LEU   A CD2  1 
ATOM   216  H  H    . LEU   A 1 25  ? 6.30481   -16.45221 6.51299   1.000 72.13384  ? 25  LEU   A H    1 
ATOM   217  H  HA   . LEU   A 1 25  ? 7.83232   -16.31216 8.71363   1.000 75.96408  ? 25  LEU   A HA   1 
ATOM   218  H  HB2  . LEU   A 1 25  ? 5.11023   -15.63610 8.35283   1.000 77.48950  ? 25  LEU   A HB2  1 
ATOM   219  H  HB3  . LEU   A 1 25  ? 5.89065   -15.42798 9.72143   1.000 77.48950  ? 25  LEU   A HB3  1 
ATOM   220  H  HG   . LEU   A 1 25  ? 6.63646   -14.00442 7.40336   1.000 83.70681  ? 25  LEU   A HG   1 
ATOM   221  H  HD11 . LEU   A 1 25  ? 4.45192   -13.42006 7.79786   1.000 86.43542  ? 25  LEU   A HD11 1 
ATOM   222  H  HD12 . LEU   A 1 25  ? 5.41167   -12.19873 8.13065   1.000 86.43542  ? 25  LEU   A HD12 1 
ATOM   223  H  HD13 . LEU   A 1 25  ? 4.80516   -13.07601 9.30795   1.000 86.43542  ? 25  LEU   A HD13 1 
ATOM   224  H  HD21 . LEU   A 1 25  ? 7.17773   -13.54706 10.14296  1.000 85.46355  ? 25  LEU   A HD21 1 
ATOM   225  H  HD22 . LEU   A 1 25  ? 7.71554   -12.62907 8.96332   1.000 85.46355  ? 25  LEU   A HD22 1 
ATOM   226  H  HD23 . LEU   A 1 25  ? 8.23705   -14.12254 9.10846   1.000 85.46355  ? 25  LEU   A HD23 1 
ATOM   227  N  N    . GLY   A 1 26  ? 6.13908   -18.83761 8.20027   1.000 62.46916  ? 26  GLY   A N    1 
ATOM   228  C  CA   . GLY   A 1 26  ? 5.61371   -20.08154 8.71626   1.000 56.82795  ? 26  GLY   A CA   1 
ATOM   229  C  C    . GLY   A 1 26  ? 4.10874   -20.15478 8.82665   1.000 50.79708  ? 26  GLY   A C    1 
ATOM   230  O  O    . GLY   A 1 26  ? 3.59728   -21.17262 9.30285   1.000 51.51096  ? 26  GLY   A O    1 
ATOM   231  H  H    . GLY   A 1 26  ? 6.18920   -18.81191 7.34211   1.000 74.96299  ? 26  GLY   A H    1 
ATOM   232  H  HA2  . GLY   A 1 26  ? 5.90047   -20.80233 8.13391   1.000 68.19354  ? 26  GLY   A HA2  1 
ATOM   233  H  HA3  . GLY   A 1 26  ? 5.98019   -20.22681 9.60253   1.000 68.19354  ? 26  GLY   A HA3  1 
ATOM   234  N  N    . SER   A 1 27  ? 3.38817   -19.10091 8.44300   1.000 43.24296  ? 27  SER   A N    1 
ATOM   235  C  CA   . SER   A 1 27  ? 1.94605   -19.15650 8.38993   1.000 37.42640  ? 27  SER   A CA   1 
ATOM   236  C  C    . SER   A 1 27  ? 1.53088   -20.20243 7.37196   1.000 34.07775  ? 27  SER   A C    1 
ATOM   237  O  O    . SER   A 1 27  ? 2.27462   -20.52973 6.45683   1.000 37.06481  ? 27  SER   A O    1 
ATOM   238  C  CB   . SER   A 1 27  ? 1.37520   -17.80196 8.01329   1.000 40.84372  ? 27  SER   A CB   1 
ATOM   239  O  OG   . SER   A 1 27  ? 1.62641   -16.90162 9.05902   1.000 43.82333  ? 27  SER   A OG   1 
ATOM   240  H  H    . SER   A 1 27  ? 3.71975   -18.34267 8.20907   1.000 51.89155  ? 27  SER   A H    1 
ATOM   241  H  HA   . SER   A 1 27  ? 1.58311   -19.39356 9.25767   1.000 44.91168  ? 27  SER   A HA   1 
ATOM   242  H  HB2  . SER   A 1 27  ? 1.80211   -17.48428 7.20229   1.000 49.01247  ? 27  SER   A HB2  1 
ATOM   243  H  HB3  . SER   A 1 27  ? 0.41821   -17.88026 7.87566   1.000 49.01247  ? 27  SER   A HB3  1 
ATOM   244  H  HG   . SER   A 1 27  ? 1.31146   -16.14626 8.86969   0.000 52.58800  ? 27  SER   A HG   1 
ATOM   245  N  N    . THR   A 1 28  ? 0.32195   -20.71855 7.53938   1.000 32.32570  ? 28  THR   A N    1 
ATOM   246  C  CA   . THR   A 1 28  ? -0.18403  -21.82122 6.72445   1.000 37.23575  ? 28  THR   A CA   1 
ATOM   247  C  C    . THR   A 1 28  ? -1.54383  -21.44973 6.14009   1.000 35.69485  ? 28  THR   A C    1 
ATOM   248  O  O    . THR   A 1 28  ? -2.44984  -21.04654 6.86931   1.000 38.81249  ? 28  THR   A O    1 
ATOM   249  C  CB   . THR   A 1 28  ? -0.31579  -23.10012 7.54914   1.000 40.13705  ? 28  THR   A CB   1 
ATOM   250  O  OG1  . THR   A 1 28  ? 0.96861   -23.52972 8.00377   1.000 43.15014  ? 28  THR   A OG1  1 
ATOM   251  C  CG2  . THR   A 1 28  ? -0.90203  -24.21580 6.69584   1.000 50.18317  ? 28  THR   A CG2  1 
ATOM   252  H  H    . THR   A 1 28  ? -0.23846  -20.44309 8.13071   1.000 38.79084  ? 28  THR   A H    1 
ATOM   253  H  HA   . THR   A 1 28  ? 0.43167   -21.97804 5.99150   1.000 44.68290  ? 28  THR   A HA   1 
ATOM   254  H  HB   . THR   A 1 28  ? -0.89413  -22.92415 8.30773   1.000 48.16446  ? 28  THR   A HB   1 
ATOM   255  H  HG1  . THR   A 1 28  ? 0.97082   -24.36254 8.11333   0.000 51.78017  ? 28  THR   A HG1  1 
ATOM   256  H  HG21 . THR   A 1 28  ? -1.84509  -24.05235 6.53829   1.000 60.21980  ? 28  THR   A HG21 1 
ATOM   257  H  HG22 . THR   A 1 28  ? -0.80155  -25.06763 7.14882   1.000 60.21980  ? 28  THR   A HG22 1 
ATOM   258  H  HG23 . THR   A 1 28  ? -0.44279  -24.25699 5.84243   1.000 60.21980  ? 28  THR   A HG23 1 
ATOM   259  N  N    . PHE   A 1 29  ? -1.69681  -21.66447 4.83812   1.000 35.13136  ? 29  PHE   A N    1 
ATOM   260  C  CA   . PHE   A 1 29  ? -2.80893  -21.17095 4.03533   1.000 39.90649  ? 29  PHE   A CA   1 
ATOM   261  C  C    . PHE   A 1 29  ? -3.27044  -22.41438 3.29198   1.000 37.47638  ? 29  PHE   A C    1 
ATOM   262  O  O    . PHE   A 1 29  ? -2.52444  -22.95070 2.46837   1.000 39.76958  ? 29  PHE   A O    1 
ATOM   263  C  CB   . PHE   A 1 29  ? -2.29207  -20.02450 3.14690   1.000 38.79519  ? 29  PHE   A CB   1 
ATOM   264  C  CG   . PHE   A 1 29  ? -3.13046  -19.67077 2.00608   1.000 40.32073  ? 29  PHE   A CG   1 
ATOM   265  C  CD1  . PHE   A 1 29  ? -4.47507  -19.39770 2.16061   1.000 43.88114  ? 29  PHE   A CD1  1 
ATOM   266  C  CD2  . PHE   A 1 29  ? -2.54049  -19.52272 0.76671   1.000 41.71674  ? 29  PHE   A CD2  1 
ATOM   267  C  CE1  . PHE   A 1 29  ? -5.23749  -19.03616 1.07914   1.000 49.66317  ? 29  PHE   A CE1  1 
ATOM   268  C  CE2  . PHE   A 1 29  ? -3.26400  -19.17161 -0.32410  1.000 43.44350  ? 29  PHE   A CE2  1 
ATOM   269  C  CZ   . PHE   A 1 29  ? -4.63452  -18.90652 -0.17910  1.000 48.06111  ? 29  PHE   A CZ   1 
ATOM   270  H  H    . PHE   A 1 29  ? -1.13663  -22.11984 4.37074   1.000 42.15763  ? 29  PHE   A H    1 
ATOM   271  H  HA   . PHE   A 1 29  ? -3.56574  -20.80935 4.52255   1.000 47.88779  ? 29  PHE   A HA   1 
ATOM   272  H  HB2  . PHE   A 1 29  ? -2.20659  -19.22994 3.69669   1.000 46.55423  ? 29  PHE   A HB2  1 
ATOM   273  H  HB3  . PHE   A 1 29  ? -1.42456  -20.28025 2.79631   1.000 46.55423  ? 29  PHE   A HB3  1 
ATOM   274  H  HD1  . PHE   A 1 29  ? -4.86586  -19.45921 3.00228   1.000 52.65737  ? 29  PHE   A HD1  1 
ATOM   275  H  HD2  . PHE   A 1 29  ? -1.62603  -19.66717 0.67841   1.000 50.06009  ? 29  PHE   A HD2  1 
ATOM   276  H  HE1  . PHE   A 1 29  ? -6.14837  -18.87816 1.18030   1.000 59.59580  ? 29  PHE   A HE1  1 
ATOM   277  H  HE2  . PHE   A 1 29  ? -2.85751  -19.10716 -1.15807  1.000 52.13220  ? 29  PHE   A HE2  1 
ATOM   278  H  HZ   . PHE   A 1 29  ? -5.14027  -18.64598 -0.91479  1.000 57.67333  ? 29  PHE   A HZ   1 
ATOM   279  N  N    . ILE   A 1 30  ? -4.44312  -22.93184 3.66676   1.000 37.31184  ? 30  ILE   A N    1 
ATOM   280  C  CA   . ILE   A 1 30  ? -5.04010  -24.11617 3.06043   1.000 35.29174  ? 30  ILE   A CA   1 
ATOM   281  C  C    . ILE   A 1 30  ? -6.25411  -23.64554 2.28536   1.000 32.94631  ? 30  ILE   A C    1 
ATOM   282  O  O    . ILE   A 1 30  ? -7.13741  -22.98581 2.84307   1.000 35.26049  ? 30  ILE   A O    1 
ATOM   283  C  CB   . ILE   A 1 30  ? -5.42997  -25.15992 4.10955   1.000 43.26305  ? 30  ILE   A CB   1 
ATOM   284  C  CG1  . ILE   A 1 30  ? -4.26961  -25.37721 5.06453   1.000 45.48198  ? 30  ILE   A CG1  1 
ATOM   285  C  CG2  . ILE   A 1 30  ? -5.76433  -26.48239 3.44177   1.000 43.49671  ? 30  ILE   A CG2  1 
ATOM   286  C  CD1  . ILE   A 1 30  ? -4.63557  -26.20370 6.29482   1.000 46.89295  ? 30  ILE   A CD1  1 
ATOM   287  H  H    . ILE   A 1 30  ? -4.92706  -22.59857 4.29472   1.000 44.77421  ? 30  ILE   A H    1 
ATOM   288  H  HA   . ILE   A 1 30  ? -4.40880  -24.52876 2.45041   1.000 42.35009  ? 30  ILE   A HA   1 
ATOM   289  H  HB   . ILE   A 1 30  ? -6.20637  -24.83440 4.59136   1.000 51.91566  ? 30  ILE   A HB   1 
ATOM   290  H  HG12 . ILE   A 1 30  ? -3.56107  -25.84359 4.59405   1.000 54.57838  ? 30  ILE   A HG12 1 
ATOM   291  H  HG13 . ILE   A 1 30  ? -3.95169  -24.51365 5.37129   1.000 54.57838  ? 30  ILE   A HG13 1 
ATOM   292  H  HG21 . ILE   A 1 30  ? -6.49367  -26.34527 2.81715   1.000 52.19606  ? 30  ILE   A HG21 1 
ATOM   293  H  HG22 . ILE   A 1 30  ? -6.02718  -27.12206 4.12194   1.000 52.19606  ? 30  ILE   A HG22 1 
ATOM   294  H  HG23 . ILE   A 1 30  ? -4.98070  -26.80480 2.96966   1.000 52.19606  ? 30  ILE   A HG23 1 
ATOM   295  H  HD11 . ILE   A 1 30  ? -5.34096  -25.74970 6.78186   1.000 56.27154  ? 30  ILE   A HD11 1 
ATOM   296  H  HD12 . ILE   A 1 30  ? -3.85123  -26.29595 6.85802   1.000 56.27154  ? 30  ILE   A HD12 1 
ATOM   297  H  HD13 . ILE   A 1 30  ? -4.94163  -27.07834 6.00808   1.000 56.27154  ? 30  ILE   A HD13 1 
ATOM   298  N  N    . VAL   A 1 31  ? -6.30831  -23.96148 0.99795   1.000 33.90534  ? 31  VAL   A N    1 
ATOM   299  C  CA   . VAL   A 1 31  ? -7.30638  -23.36047 0.12547   1.000 31.01001  ? 31  VAL   A CA   1 
ATOM   300  C  C    . VAL   A 1 31  ? -7.80907  -24.34231 -0.92944  1.000 34.31081  ? 31  VAL   A C    1 
ATOM   301  O  O    . VAL   A 1 31  ? -7.06349  -25.18227 -1.44072  1.000 31.90004  ? 31  VAL   A O    1 
ATOM   302  C  CB   . VAL   A 1 31  ? -6.74675  -22.10404 -0.56012  1.000 31.55847  ? 31  VAL   A CB   1 
ATOM   303  C  CG1  . VAL   A 1 31  ? -5.64088  -22.46166 -1.53756  1.000 30.77796  ? 31  VAL   A CG1  1 
ATOM   304  C  CG2  . VAL   A 1 31  ? -7.86395  -21.35006 -1.26070  1.000 33.98615  ? 31  VAL   A CG2  1 
ATOM   305  H  H    . VAL   A 1 31  ? -5.78042  -24.51827 0.60947   1.000 40.68641  ? 31  VAL   A H    1 
ATOM   306  H  HA   . VAL   A 1 31  ? -8.07146  -23.13858 0.67893   1.000 37.21201  ? 31  VAL   A HA   1 
ATOM   307  H  HB   . VAL   A 1 31  ? -6.36142  -21.52458 0.11563   1.000 37.87016  ? 31  VAL   A HB   1 
ATOM   308  H  HG11 . VAL   A 1 31  ? -5.97306  -22.35586 -2.44274  1.000 36.93355  ? 31  VAL   A HG11 1 
ATOM   309  H  HG12 . VAL   A 1 31  ? -5.37341  -23.38211 -1.38882  1.000 36.93355  ? 31  VAL   A HG12 1 
ATOM   310  H  HG13 . VAL   A 1 31  ? -4.88627  -21.87009 -1.39088  1.000 36.93355  ? 31  VAL   A HG13 1 
ATOM   311  H  HG21 . VAL   A 1 31  ? -7.78004  -20.40444 -1.06155  1.000 40.78338  ? 31  VAL   A HG21 1 
ATOM   312  H  HG22 . VAL   A 1 31  ? -8.71761  -21.68108 -0.94038  1.000 40.78338  ? 31  VAL   A HG22 1 
ATOM   313  H  HG23 . VAL   A 1 31  ? -7.79100  -21.49441 -2.21712  1.000 40.78338  ? 31  VAL   A HG23 1 
ATOM   314  N  N    . THR   A 1 32  ? -9.08575  -24.22787 -1.25318  1.000 32.06100  ? 32  THR   A N    1 
ATOM   315  C  CA   . THR   A 1 32  ? -9.67735  -24.93444 -2.37665  1.000 31.77344  ? 32  THR   A CA   1 
ATOM   316  C  C    . THR   A 1 32  ? -10.11678 -23.91479 -3.40030  1.000 35.06362  ? 32  THR   A C    1 
ATOM   317  O  O    . THR   A 1 32  ? -10.84210 -22.97575 -3.05836  1.000 36.13811  ? 32  THR   A O    1 
ATOM   318  C  CB   . THR   A 1 32  ? -10.85750 -25.77287 -1.92034  1.000 33.79573  ? 32  THR   A CB   1 
ATOM   319  O  OG1  . THR   A 1 32  ? -10.36447 -26.72982 -0.98067  1.000 38.07780  ? 32  THR   A OG1  1 
ATOM   320  C  CG2  . THR   A 1 32  ? -11.47681 -26.50282 -3.09627  1.000 37.42770  ? 32  THR   A CG2  1 
ATOM   321  H  H    . THR   A 1 32  ? -9.64479  -23.73356 -0.82570  1.000 38.47320  ? 32  THR   A H    1 
ATOM   322  H  HA   . THR   A 1 32  ? -9.02817  -25.52830 -2.78505  1.000 38.12813  ? 32  THR   A HA   1 
ATOM   323  H  HB   . THR   A 1 32  ? -11.54377 -25.21528 -1.52156  1.000 40.55488  ? 32  THR   A HB   1 
ATOM   324  H  HG1  . THR   A 1 32  ? -9.81634  -27.24436 -1.35538  0.000 45.69335  ? 32  THR   A HG1  1 
ATOM   325  H  HG21 . THR   A 1 32  ? -12.11847 -27.15773 -2.77960  1.000 44.91324  ? 32  THR   A HG21 1 
ATOM   326  H  HG22 . THR   A 1 32  ? -10.78737 -26.95790 -3.60467  1.000 44.91324  ? 32  THR   A HG22 1 
ATOM   327  H  HG23 . THR   A 1 32  ? -11.93111 -25.87198 -3.67639  1.000 44.91324  ? 32  THR   A HG23 1 
ATOM   328  N  N    . ALA   A 1 33  ? -9.68689  -24.10956 -4.64455  1.000 33.04035  ? 33  ALA   A N    1 
ATOM   329  C  CA   . ALA   A 1 33  ? -10.05645 -23.23071 -5.74821  1.000 34.15823  ? 33  ALA   A CA   1 
ATOM   330  C  C    . ALA   A 1 33  ? -11.16620 -23.90112 -6.54103  1.000 36.64994  ? 33  ALA   A C    1 
ATOM   331  O  O    . ALA   A 1 33  ? -10.97822 -25.00926 -7.03889  1.000 40.48127  ? 33  ALA   A O    1 
ATOM   332  C  CB   . ALA   A 1 33  ? -8.85014  -22.95489 -6.63778  1.000 37.45855  ? 33  ALA   A CB   1 
ATOM   333  H  H    . ALA   A 1 33  ? -9.17044  -24.75661 -4.87738  1.000 39.64843  ? 33  ALA   A H    1 
ATOM   334  H  HA   . ALA   A 1 33  ? -10.38353 -22.38355 -5.40728  1.000 40.98988  ? 33  ALA   A HA   1 
ATOM   335  H  HB1  . ALA   A 1 33  ? -9.13046  -22.41064 -7.39019  1.000 44.95027  ? 33  ALA   A HB1  1 
ATOM   336  H  HB2  . ALA   A 1 33  ? -8.17784  -22.48382 -6.12106  1.000 44.95027  ? 33  ALA   A HB2  1 
ATOM   337  H  HB3  . ALA   A 1 33  ? -8.49223  -23.79876 -6.95510  1.000 44.95027  ? 33  ALA   A HB3  1 
ATOM   338  N  N    . GLY   A 1 34  ? -12.33167 -23.26805 -6.60549  1.000 36.98533  ? 34  GLY   A N    1 
ATOM   339  C  CA   . GLY   A 1 34  ? -13.43151 -23.83844 -7.35084  1.000 39.01348  ? 34  GLY   A CA   1 
ATOM   340  C  C    . GLY   A 1 34  ? -13.33897 -23.51092 -8.82216  1.000 40.44836  ? 34  GLY   A C    1 
ATOM   341  O  O    . GLY   A 1 34  ? -12.63135 -22.59855 -9.24188  1.000 45.39854  ? 34  GLY   A O    1 
ATOM   342  H  H    . GLY   A 1 34  ? -12.50479 -22.51468 -6.22858  1.000 44.38240  ? 34  GLY   A H    1 
ATOM   343  H  HA2  . GLY   A 1 34  ? -13.42602 -24.80300 -7.24844  1.000 46.81618  ? 34  GLY   A HA2  1 
ATOM   344  H  HA3  . GLY   A 1 34  ? -14.26951 -23.48935 -7.00908  1.000 46.81618  ? 34  GLY   A HA3  1 
ATOM   345  N  N    . ALA   A 1 35  ? -14.07712 -24.27106 -9.63239  1.000 42.12283  ? 35  ALA   A N    1 
ATOM   346  C  CA   . ALA   A 1 35  ? -14.00107 -24.05288 -11.07330 1.000 47.80875  ? 35  ALA   A CA   1 
ATOM   347  C  C    . ALA   A 1 35  ? -14.66945 -22.75222 -11.48134 1.000 48.43446  ? 35  ALA   A C    1 
ATOM   348  O  O    . ALA   A 1 35  ? -14.44768 -22.26636 -12.59317 1.000 55.33640  ? 35  ALA   A O    1 
ATOM   349  C  CB   . ALA   A 1 35  ? -14.63634 -25.21623 -11.82286 1.000 50.28125  ? 35  ALA   A CB   1 
ATOM   350  H  H    . ALA   A 1 35  ? -14.61036 -24.89700 -9.38051  1.000 50.54739  ? 35  ALA   A H    1 
ATOM   351  H  HA   . ALA   A 1 35  ? -13.06733 -24.01301 -11.33301 1.000 57.37050  ? 35  ALA   A HA   1 
ATOM   352  H  HB1  . ALA   A 1 35  ? -14.53740 -25.06917 -12.77653 1.000 60.33751  ? 35  ALA   A HB1  1 
ATOM   353  H  HB2  . ALA   A 1 35  ? -14.18978 -26.03839 -11.56687 1.000 60.33751  ? 35  ALA   A HB2  1 
ATOM   354  H  HB3  . ALA   A 1 35  ? -15.57709 -25.26493 -11.59153 1.000 60.33751  ? 35  ALA   A HB3  1 
ATOM   355  N  N    . ASP   A 1 36  ? -15.48565 -22.19520 -10.60197 1.000 43.29815  ? 36  ASP   A N    1 
ATOM   356  C  CA   . ASP   A 1 36  ? -16.15619 -20.92212 -10.80751 1.000 47.22109  ? 36  ASP   A CA   1 
ATOM   357  C  C    . ASP   A 1 36  ? -15.31368 -19.72091 -10.40471 1.000 42.17749  ? 36  ASP   A C    1 
ATOM   358  O  O    . ASP   A 1 36  ? -15.71118 -18.57452 -10.65315 1.000 48.93726  ? 36  ASP   A O    1 
ATOM   359  C  CB   . ASP   A 1 36  ? -17.44341 -20.90134 -9.98167  1.000 54.39016  ? 36  ASP   A CB   1 
ATOM   360  C  CG   . ASP   A 1 36  ? -17.17844 -21.08224 -8.47088  1.000 60.41498  ? 36  ASP   A CG   1 
ATOM   361  O  OD1  . ASP   A 1 36  ? -16.13617 -21.67511 -8.09334  1.000 52.36905  ? 36  ASP   A OD1  1 
ATOM   362  O  OD2  . ASP   A 1 36  ? -18.01592 -20.61796 -7.65775  1.000 66.08274  ? 36  ASP   A OD2  1 
ATOM   363  H  H    . ASP   A 1 36  ? -15.67676 -22.55102 -9.84271  1.000 51.95778  ? 36  ASP   A H    1 
ATOM   364  H  HA   . ASP   A 1 36  ? -16.37005 -20.83173 -11.74932 1.000 56.66531  ? 36  ASP   A HA   1 
ATOM   365  H  HB2  . ASP   A 1 36  ? -17.88852 -20.04901 -10.10942 1.000 65.26819  ? 36  ASP   A HB2  1 
ATOM   366  H  HB3  . ASP   A 1 36  ? -18.02013 -21.62404 -10.27493 1.000 65.26819  ? 36  ASP   A HB3  1 
ATOM   367  N  N    . GLY   A 1 37  ? -14.17852 -19.93996 -9.76756  1.000 36.16086  ? 37  GLY   A N    1 
ATOM   368  C  CA   . GLY   A 1 37  ? -13.34267 -18.85805 -9.32775  1.000 34.50471  ? 37  GLY   A CA   1 
ATOM   369  C  C    . GLY   A 1 37  ? -13.37958 -18.60093 -7.84213  1.000 32.62565  ? 37  GLY   A C    1 
ATOM   370  O  O    . GLY   A 1 37  ? -12.83342 -17.58514 -7.39571  1.000 34.25947  ? 37  GLY   A O    1 
ATOM   371  H  H    . GLY   A 1 37  ? -13.87186 -20.72084 -9.57839  1.000 43.39303  ? 37  GLY   A H    1 
ATOM   372  H  HA2  . GLY   A 1 37  ? -12.42479 -19.05398 -9.57273  1.000 41.40565  ? 37  GLY   A HA2  1 
ATOM   373  H  HA3  . GLY   A 1 37  ? -13.62284 -18.04533 -9.77707  1.000 41.40565  ? 37  GLY   A HA3  1 
ATOM   374  N  N    . ALA   A 1 38  ? -13.99394 -19.49002 -7.06426  1.000 31.06551  ? 38  ALA   A N    1 
ATOM   375  C  CA   . ALA   A 1 38  ? -14.05873 -19.31756 -5.61743  1.000 31.99012  ? 38  ALA   A CA   1 
ATOM   376  C  C    . ALA   A 1 38  ? -12.77860 -19.82279 -4.96299  1.000 30.40984  ? 38  ALA   A C    1 
ATOM   377  O  O    . ALA   A 1 38  ? -12.21800 -20.83699 -5.38263  1.000 32.73741  ? 38  ALA   A O    1 
ATOM   378  C  CB   . ALA   A 1 38  ? -15.26048 -20.06832 -5.04409  1.000 35.51714  ? 38  ALA   A CB   1 
ATOM   379  H  H    . ALA   A 1 38  ? -14.38123 -20.20216 -7.35141  1.000 37.27861  ? 38  ALA   A H    1 
ATOM   380  H  HA   . ALA   A 1 38  ? -14.15922 -18.37510 -5.41112  1.000 38.38815  ? 38  ALA   A HA   1 
ATOM   381  H  HB1  . ALA   A 1 38  ? -15.30597 -19.90866 -4.08840  1.000 42.62056  ? 38  ALA   A HB1  1 
ATOM   382  H  HB2  . ALA   A 1 38  ? -16.06852 -19.74491 -5.47232  1.000 42.62056  ? 38  ALA   A HB2  1 
ATOM   383  H  HB3  . ALA   A 1 38  ? -15.15179 -21.01673 -5.21620  1.000 42.62056  ? 38  ALA   A HB3  1 
ATOM   384  N  N    . LEU   A 1 39  ? -12.30738 -19.09214 -3.94898  1.000 29.04412  ? 39  LEU   A N    1 
ATOM   385  C  CA   . LEU   A 1 39  ? -11.31781 -19.58267 -3.00720  1.000 29.69275  ? 39  LEU   A CA   1 
ATOM   386  C  C    . LEU   A 1 39  ? -11.99238 -19.73226 -1.65753  1.000 30.15899  ? 39  LEU   A C    1 
ATOM   387  O  O    . LEU   A 1 39  ? -12.73901 -18.84356 -1.23047  1.000 33.38668  ? 39  LEU   A O    1 
ATOM   388  C  CB   . LEU   A 1 39  ? -10.13374 -18.63445 -2.85780  1.000 31.16059  ? 39  LEU   A CB   1 
ATOM   389  C  CG   . LEU   A 1 39  ? -9.33566  -18.40256 -4.12587  1.000 29.81226  ? 39  LEU   A CG   1 
ATOM   390  C  CD1  . LEU   A 1 39  ? -8.24316  -17.38969 -3.80324  1.000 30.84964  ? 39  LEU   A CD1  1 
ATOM   391  C  CD2  . LEU   A 1 39  ? -8.74290  -19.66296 -4.62556  1.000 29.89896  ? 39  LEU   A CD2  1 
ATOM   392  H  H    . LEU   A 1 39  ? -12.55819 -18.28553 -3.78750  1.000 34.85294  ? 39  LEU   A H    1 
ATOM   393  H  HA   . LEU   A 1 39  ? -10.97838 -20.43477 -3.32282  1.000 35.63130  ? 39  LEU   A HA   1 
ATOM   394  H  HB2  . LEU   A 1 39  ? -10.46653 -17.77301 -2.56102  1.000 37.39271  ? 39  LEU   A HB2  1 
ATOM   395  H  HB3  . LEU   A 1 39  ? -9.52822  -19.00233 -2.19529  1.000 37.39271  ? 39  LEU   A HB3  1 
ATOM   396  H  HG   . LEU   A 1 39  ? -9.91046  -18.06705 -4.83152  1.000 35.77471  ? 39  LEU   A HG   1 
ATOM   397  H  HD11 . LEU   A 1 39  ? -7.60229  -17.37381 -4.53120  1.000 37.01957  ? 39  LEU   A HD11 1 
ATOM   398  H  HD12 . LEU   A 1 39  ? -7.80228  -17.65217 -2.98006  1.000 37.01957  ? 39  LEU   A HD12 1 
ATOM   399  H  HD13 . LEU   A 1 39  ? -8.64591  -16.51356 -3.69794  1.000 37.01957  ? 39  LEU   A HD13 1 
ATOM   400  H  HD21 . LEU   A 1 39  ? -9.45669  -20.27752 -4.85735  1.000 35.87875  ? 39  LEU   A HD21 1 
ATOM   401  H  HD22 . LEU   A 1 39  ? -8.18750  -20.04832 -3.92991  1.000 35.87875  ? 39  LEU   A HD22 1 
ATOM   402  H  HD23 . LEU   A 1 39  ? -8.20500  -19.47001 -5.40936  1.000 35.87875  ? 39  LEU   A HD23 1 
ATOM   403  N  N    . THR   A 1 40  ? -11.74930 -20.84751 -0.99670  1.000 33.74701  ? 40  THR   A N    1 
ATOM   404  C  CA   . THR   A 1 40  ? -12.30257 -21.09496 0.32988   1.000 30.61181  ? 40  THR   A CA   1 
ATOM   405  C  C    . THR   A 1 40  ? -11.29359 -21.95488 1.07809   1.000 33.35868  ? 40  THR   A C    1 
ATOM   406  O  O    . THR   A 1 40  ? -10.67368 -22.83258 0.48944   1.000 36.04223  ? 40  THR   A O    1 
ATOM   407  C  CB   . THR   A 1 40  ? -13.66331 -21.80890 0.27742   1.000 35.02194  ? 40  THR   A CB   1 
ATOM   408  O  OG1  . THR   A 1 40  ? -13.43020 -23.18883 0.02304   1.000 44.57493  ? 40  THR   A OG1  1 
ATOM   409  C  CG2  . THR   A 1 40  ? -14.51465 -21.27898 -0.81368  1.000 33.31250  ? 40  THR   A CG2  1 
ATOM   410  H  H    . THR   A 1 40  ? -11.26034 -21.48901 -1.29505  1.000 40.49641  ? 40  THR   A H    1 
ATOM   411  H  HA   . THR   A 1 40  ? -12.44010 -20.25511 0.79532   1.000 36.73418  ? 40  THR   A HA   1 
ATOM   412  H  HB   . THR   A 1 40  ? -14.12947 -21.67345 1.11721   1.000 42.02633  ? 40  THR   A HB   1 
ATOM   413  H  HG1  . THR   A 1 40  ? -14.16103 -23.58829 -0.08618  1.000 53.48992  ? 40  THR   A HG1  1 
ATOM   414  H  HG21 . THR   A 1 40  ? -14.66419 -20.32909 -0.68625  1.000 39.97500  ? 40  THR   A HG21 1 
ATOM   415  H  HG22 . THR   A 1 40  ? -15.37091 -21.73473 -0.81751  1.000 39.97500  ? 40  THR   A HG22 1 
ATOM   416  H  HG23 . THR   A 1 40  ? -14.08062 -21.41723 -1.67007  1.000 39.97500  ? 40  THR   A HG23 1 
ATOM   417  N  N    . GLY   A 1 41  ? -11.11166 -21.69849 2.36698   1.000 29.34973  ? 41  GLY   A N    1 
ATOM   418  C  CA   . GLY   A 1 41  ? -10.17022 -22.49956 3.12553   1.000 31.19854  ? 41  GLY   A CA   1 
ATOM   419  C  C    . GLY   A 1 41  ? -9.99131  -21.94532 4.51822   1.000 29.37350  ? 41  GLY   A C    1 
ATOM   420  O  O    . GLY   A 1 41  ? -10.90157 -21.32141 5.08802   1.000 28.74343  ? 41  GLY   A O    1 
ATOM   421  H  H    . GLY   A 1 41  ? -11.51180 -21.08148 2.81283   1.000 35.21967  ? 41  GLY   A H    1 
ATOM   422  H  HA2  . GLY   A 1 41  ? -10.49545 -23.41098 3.19215   1.000 37.43825  ? 41  GLY   A HA2  1 
ATOM   423  H  HA3  . GLY   A 1 41  ? -9.30933  -22.50333 2.67858   1.000 37.43825  ? 41  GLY   A HA3  1 
ATOM   424  N  N    . THR   A 1 42  ? -8.80476  -22.16515 5.04912   1.000 29.30277  ? 42  THR   A N    1 
ATOM   425  C  CA   . THR   A 1 42  ? -8.44758  -21.67757 6.36674   1.000 30.63643  ? 42  THR   A CA   1 
ATOM   426  C  C    . THR   A 1 42  ? -7.05212  -21.07236 6.33542   1.000 34.07636  ? 42  THR   A C    1 
ATOM   427  O  O    . THR   A 1 42  ? -6.19752  -21.48571 5.55534   1.000 39.29669  ? 42  THR   A O    1 
ATOM   428  C  CB   . THR   A 1 42  ? -8.46965  -22.79359 7.41730   1.000 37.85829  ? 42  THR   A CB   1 
ATOM   429  O  OG1  . THR   A 1 42  ? -7.50450  -23.80303 7.08395   1.000 39.03397  ? 42  THR   A OG1  1 
ATOM   430  C  CG2  . THR   A 1 42  ? -9.82389  -23.42084 7.49629   1.000 41.54074  ? 42  THR   A CG2  1 
ATOM   431  H  H    . THR   A 1 42  ? -8.17618  -22.60305 4.65830   1.000 35.16333  ? 42  THR   A H    1 
ATOM   432  H  HA   . THR   A 1 42  ? -9.08421  -20.99240 6.62391   1.000 36.76372  ? 42  THR   A HA   1 
ATOM   433  H  HB   . THR   A 1 42  ? -8.25371  -22.41402 8.28344   1.000 45.42995  ? 42  THR   A HB   1 
ATOM   434  H  HG1  . THR   A 1 42  ? -7.63159  -24.07400 6.29908   0.000 46.84076  ? 42  THR   A HG1  1 
ATOM   435  H  HG21 . THR   A 1 42  ? -9.80872  -24.16589 8.11724   1.000 49.84889  ? 42  THR   A HG21 1 
ATOM   436  H  HG22 . THR   A 1 42  ? -10.09081 -23.74515 6.62195   1.000 49.84889  ? 42  THR   A HG22 1 
ATOM   437  H  HG23 . THR   A 1 42  ? -10.47400 -22.76921 7.80229   1.000 49.84889  ? 42  THR   A HG23 1 
ATOM   438  N  N    . TYR   A 1 43  ? -6.81958  -20.10843 7.22147   1.000 31.06413  ? 43  TYR   A N    1 
ATOM   439  C  CA   . TYR   A 1 43  ? -5.52418  -19.48490 7.40260   1.000 33.53151  ? 43  TYR   A CA   1 
ATOM   440  C  C    . TYR   A 1 43  ? -5.11611  -19.71823 8.84580   1.000 33.08544  ? 43  TYR   A C    1 
ATOM   441  O  O    . TYR   A 1 43  ? -5.92123  -19.52564 9.74932   1.000 35.56854  ? 43  TYR   A O    1 
ATOM   442  C  CB   . TYR   A 1 43  ? -5.57384  -17.99188 7.12150   1.000 33.44596  ? 43  TYR   A CB   1 
ATOM   443  C  CG   . TYR   A 1 43  ? -4.23080  -17.42591 6.83076   1.000 34.96670  ? 43  TYR   A CG   1 
ATOM   444  C  CD1  . TYR   A 1 43  ? -3.41154  -16.94873 7.85857   1.000 34.63658  ? 43  TYR   A CD1  1 
ATOM   445  C  CD2  . TYR   A 1 43  ? -3.76396  -17.35929 5.52943   1.000 36.67429  ? 43  TYR   A CD2  1 
ATOM   446  C  CE1  . TYR   A 1 43  ? -2.17794  -16.43439 7.59338   1.000 34.06957  ? 43  TYR   A CE1  1 
ATOM   447  C  CE2  . TYR   A 1 43  ? -2.51902  -16.83930 5.26039   1.000 34.66168  ? 43  TYR   A CE2  1 
ATOM   448  C  CZ   . TYR   A 1 43  ? -1.73253  -16.38905 6.29387   1.000 37.98614  ? 43  TYR   A CZ   1 
ATOM   449  O  OH   . TYR   A 1 43  ? -0.49341  -15.88308 5.98281   1.000 38.73437  ? 43  TYR   A OH   1 
ATOM   450  H  H    . TYR   A 1 43  ? -7.42259  -19.79090 7.74601   1.000 37.27696  ? 43  TYR   A H    1 
ATOM   451  H  HA   . TYR   A 1 43  ? -4.87452  -19.87590 6.79766   1.000 40.23781  ? 43  TYR   A HA   1 
ATOM   452  H  HB2  . TYR   A 1 43  ? -6.14169  -17.83285 6.35133   1.000 40.13515  ? 43  TYR   A HB2  1 
ATOM   453  H  HB3  . TYR   A 1 43  ? -5.93249  -17.53467 7.89818   1.000 40.13515  ? 43  TYR   A HB3  1 
ATOM   454  H  HD1  . TYR   A 1 43  ? -3.71355  -16.98298 8.73750   1.000 41.56389  ? 43  TYR   A HD1  1 
ATOM   455  H  HD2  . TYR   A 1 43  ? -4.29576  -17.66829 4.83185   1.000 44.00915  ? 43  TYR   A HD2  1 
ATOM   456  H  HE1  . TYR   A 1 43  ? -1.64276  -16.11721 8.28467   1.000 40.88348  ? 43  TYR   A HE1  1 
ATOM   457  H  HE2  . TYR   A 1 43  ? -2.21124  -16.79266 4.38403   1.000 41.59402  ? 43  TYR   A HE2  1 
ATOM   458  H  HH   . TYR   A 1 43  ? -0.02361  -15.82669 6.67686   0.000 46.48124  ? 43  TYR   A HH   1 
ATOM   459  N  N    . GLU   A 1 44  ? -3.89987  -20.17025 9.05904   1.000 33.99405  ? 44  GLU   A N    1 
ATOM   460  C  CA   . GLU   A 1 44  ? -3.35956  -20.31329 10.40398  1.000 40.97860  ? 44  GLU   A CA   1 
ATOM   461  C  C    . GLU   A 1 44  ? -2.11252  -19.44873 10.47178  1.000 45.08746  ? 44  GLU   A C    1 
ATOM   462  O  O    . GLU   A 1 44  ? -1.11087  -19.75203 9.81699   1.000 44.60090  ? 44  GLU   A O    1 
ATOM   463  C  CB   . GLU   A 1 44  ? -3.03723  -21.76290 10.71877  1.000 47.43517  ? 44  GLU   A CB   1 
ATOM   464  C  CG   . GLU   A 1 44  ? -2.38681  -21.92325 12.08904  1.000 59.94896  ? 44  GLU   A CG   1 
ATOM   465  C  CD   . GLU   A 1 44  ? -2.36518  -23.35822 12.56668  1.000 72.05678  ? 44  GLU   A CD   1 
ATOM   466  O  OE1  . GLU   A 1 44  ? -2.37113  -23.56855 13.80927  1.000 81.46940  ? 44  GLU   A OE1  1 
ATOM   467  O  OE2  . GLU   A 1 44  ? -2.37610  -24.26854 11.71134  1.000 76.64748  ? 44  GLU   A OE2  1 
ATOM   468  H  H    . GLU   A 1 44  ? -3.35634  -20.40547 8.43546   1.000 40.79286  ? 44  GLU   A H    1 
ATOM   469  H  HA   . GLU   A 1 44  ? -4.00505  -20.00529 11.05925  1.000 49.17432  ? 44  GLU   A HA   1 
ATOM   470  H  HB2  . GLU   A 1 44  ? -3.85782  -22.28008 10.71059  1.000 56.92221  ? 44  GLU   A HB2  1 
ATOM   471  H  HB3  . GLU   A 1 44  ? -2.42311  -22.10449 10.05013  1.000 56.92221  ? 44  GLU   A HB3  1 
ATOM   472  H  HG2  . GLU   A 1 44  ? -1.47008  -21.60980 12.04171  1.000 71.93876  ? 44  GLU   A HG2  1 
ATOM   473  H  HG3  . GLU   A 1 44  ? -2.88343  -21.39962 12.73718  1.000 71.93876  ? 44  GLU   A HG3  1 
ATOM   474  N  N    . SER   A 1 45  ? -2.16760  -18.36995 11.24436  1.000 55.25954  ? 45  SER   A N    1 
ATOM   475  C  CA   . SER   A 1 45  ? -1.05651  -17.43212 11.26959  1.000 61.35641  ? 45  SER   A CA   1 
ATOM   476  C  C    . SER   A 1 45  ? 0.02901   -17.90905 12.21999  1.000 64.67457  ? 45  SER   A C    1 
ATOM   477  O  O    . SER   A 1 45  ? -0.25527  -18.48972 13.26987  1.000 71.81369  ? 45  SER   A O    1 
ATOM   478  C  CB   . SER   A 1 45  ? -1.51985  -16.03660 11.68592  1.000 66.84121  ? 45  SER   A CB   1 
ATOM   479  O  OG   . SER   A 1 45  ? -0.48124  -15.09177 11.43171  1.000 67.93496  ? 45  SER   A OG   1 
ATOM   480  H  H    . SER   A 1 45  ? -2.82791  -18.16295 11.75499  1.000 66.31145  ? 45  SER   A H    1 
ATOM   481  H  HA   . SER   A 1 45  ? -0.68435  -17.37218 10.37583  1.000 73.62770  ? 45  SER   A HA   1 
ATOM   482  H  HB2  . SER   A 1 45  ? -2.30680  -15.79377 11.17343  1.000 80.20945  ? 45  SER   A HB2  1 
ATOM   483  H  HB3  . SER   A 1 45  ? -1.72807  -16.03715 12.63331  1.000 80.20945  ? 45  SER   A HB3  1 
ATOM   484  H  HG   . SER   A 1 45  ? -0.32411  -15.05239 10.60748  0.000 81.52195  ? 45  SER   A HG   1 
ATOM   485  N  N    . ALA   A 1 46  ? 1.28004   -17.66562 11.83608  1.000 60.02598  ? 46  ALA   A N    1 
ATOM   486  C  CA   . ALA   A 1 46  ? 2.41706   -17.92387 12.70702  1.000 63.55481  ? 46  ALA   A CA   1 
ATOM   487  C  C    . ALA   A 1 46  ? 2.90413   -16.68003 13.43376  1.000 64.00406  ? 46  ALA   A C    1 
ATOM   488  O  O    . ALA   A 1 46  ? 3.64043   -16.80838 14.42043  1.000 64.61592  ? 46  ALA   A O    1 
ATOM   489  C  CB   . ALA   A 1 46  ? 3.57665   -18.52043 11.90075  1.000 67.22530  ? 46  ALA   A CB   1 
ATOM   490  H  H    . ALA   A 1 46  ? 1.49607   -17.34729 11.06692  1.000 72.03118  ? 46  ALA   A H    1 
ATOM   491  H  HA   . ALA   A 1 46  ? 2.15745   -18.57615 13.37637  1.000 76.26577  ? 46  ALA   A HA   1 
ATOM   492  H  HB1  . ALA   A 1 46  ? 4.35718   -18.58787 12.47270  1.000 80.67036  ? 46  ALA   A HB1  1 
ATOM   493  H  HB2  . ALA   A 1 46  ? 3.32122   -19.40113 11.58450  1.000 80.67036  ? 46  ALA   A HB2  1 
ATOM   494  H  HB3  . ALA   A 1 46  ? 3.76811   -17.94092 11.14682  1.000 80.67036  ? 46  ALA   A HB3  1 
ATOM   495  N  N    . VAL   A 1 47  ? 2.52028   -15.48982 12.97369  1.000 60.86214  ? 47  VAL   A N    1 
ATOM   496  C  CA   . VAL   A 1 47  ? 2.93716   -14.24478 13.60105  1.000 66.49082  ? 47  VAL   A CA   1 
ATOM   497  C  C    . VAL   A 1 47  ? 1.69617   -13.44475 13.97319  1.000 65.30253  ? 47  VAL   A C    1 
ATOM   498  O  O    . VAL   A 1 47  ? 0.60754   -13.62957 13.42135  1.000 63.66006  ? 47  VAL   A O    1 
ATOM   499  C  CB   . VAL   A 1 47  ? 3.86877   -13.40326 12.69397  1.000 65.68628  ? 47  VAL   A CB   1 
ATOM   500  C  CG1  . VAL   A 1 47  ? 5.12811   -14.18494 12.35542  1.000 63.99325  ? 47  VAL   A CG1  1 
ATOM   501  C  CG2  . VAL   A 1 47  ? 3.12771   -12.95802 11.43002  1.000 64.90002  ? 47  VAL   A CG2  1 
ATOM   502  H  H    . VAL   A 1 47  ? 2.01106   -15.37998 12.28942  1.000 73.03457  ? 47  VAL   A H    1 
ATOM   503  H  HA   . VAL   A 1 47  ? 3.42158   -14.45533 14.41462  1.000 79.78899  ? 47  VAL   A HA   1 
ATOM   504  H  HB   . VAL   A 1 47  ? 4.14013   -12.60295 13.17017  1.000 78.82353  ? 47  VAL   A HB   1 
ATOM   505  H  HG11 . VAL   A 1 47  ? 5.61218   -14.37403 13.17445  1.000 76.79191  ? 47  VAL   A HG11 1 
ATOM   506  H  HG12 . VAL   A 1 47  ? 5.67959   -13.65307 11.76053  1.000 76.79191  ? 47  VAL   A HG12 1 
ATOM   507  H  HG13 . VAL   A 1 47  ? 4.87731   -15.01480 11.92031  1.000 76.79191  ? 47  VAL   A HG13 1 
ATOM   508  H  HG21 . VAL   A 1 47  ? 2.86270   -13.74336 10.92614  1.000 77.88002  ? 47  VAL   A HG21 1 
ATOM   509  H  HG22 . VAL   A 1 47  ? 3.71924   -12.40587 10.89510  1.000 77.88002  ? 47  VAL   A HG22 1 
ATOM   510  H  HG23 . VAL   A 1 47  ? 2.34273   -12.44934 11.68683  1.000 77.88002  ? 47  VAL   A HG23 1 
ATOM   511  N  N    . GLY   A 1 48  ? 1.88073   -12.53170 14.90947  1.000 66.20565  ? 48  GLY   A N    1 
ATOM   512  C  CA   . GLY   A 1 48  ? 0.84548   -11.57968 15.22669  1.000 69.33583  ? 48  GLY   A CA   1 
ATOM   513  C  C    . GLY   A 1 48  ? -0.11334  -12.06130 16.29859  1.000 73.00647  ? 48  GLY   A C    1 
ATOM   514  O  O    . GLY   A 1 48  ? 0.12374   -13.02995 17.02906  1.000 73.92161  ? 48  GLY   A O    1 
ATOM   515  H  H    . GLY   A 1 48  ? 2.59924   -12.44555 15.37415  1.000 79.44678  ? 48  GLY   A H    1 
ATOM   516  H  HA2  . GLY   A 1 48  ? 1.25597   -10.75773 15.53781  1.000 83.20300  ? 48  GLY   A HA2  1 
ATOM   517  H  HA3  . GLY   A 1 48  ? 0.33148   -11.39247 14.42565  1.000 83.20300  ? 48  GLY   A HA3  1 
ATOM   518  N  N    . ASN   A 1 49  ? -1.23144  -11.34571 16.38344  1.000 74.17758  ? 49  ASN   A N    1 
ATOM   519  C  CA   . ASN   A 1 49  ? -2.22605  -11.51553 17.44303  1.000 75.55018  ? 49  ASN   A CA   1 
ATOM   520  C  C    . ASN   A 1 49  ? -3.33555  -12.48302 17.03677  1.000 71.38454  ? 49  ASN   A C    1 
ATOM   521  O  O    . ASN   A 1 49  ? -4.53109  -12.20809 17.18743  1.000 72.19294  ? 49  ASN   A O    1 
ATOM   522  C  CB   . ASN   A 1 49  ? -2.79678  -10.15510 17.82530  1.000 79.15577  ? 49  ASN   A CB   1 
ATOM   523  C  CG   . ASN   A 1 49  ? -3.45987  -10.18412 19.15485  1.000 85.24685  ? 49  ASN   A CG   1 
ATOM   524  O  OD1  . ASN   A 1 49  ? -4.39289  -9.45045  19.44992  1.000 90.89735  ? 49  ASN   A OD1  1 
ATOM   525  N  ND2  . ASN   A 1 49  ? -2.99424  -11.06760 19.96183  1.000 85.70712  ? 49  ASN   A ND2  1 
ATOM   526  N  N    . ALA   A 1 50  ? -2.92150  -13.64078 16.53243  1.000 65.39531  ? 50  ALA   A N    1 
ATOM   527  C  CA   . ALA   A 1 50  ? -3.81734  -14.65604 16.01116  1.000 62.59641  ? 50  ALA   A CA   1 
ATOM   528  C  C    . ALA   A 1 50  ? -3.46069  -15.98855 16.64669  1.000 66.33761  ? 50  ALA   A C    1 
ATOM   529  O  O    . ALA   A 1 50  ? -2.42438  -16.12615 17.30091  1.000 74.89161  ? 50  ALA   A O    1 
ATOM   530  C  CB   . ALA   A 1 50  ? -3.72212  -14.73352 14.48313  1.000 62.27450  ? 50  ALA   A CB   1 
ATOM   531  N  N    . GLU   A 1 51  ? -4.32436  -16.98333 16.46564  1.000 62.64362  ? 51  GLU   A N    1 
ATOM   532  C  CA   . GLU   A 1 51  ? -3.93857  -18.29784 16.96377  1.000 73.62944  ? 51  GLU   A CA   1 
ATOM   533  C  C    . GLU   A 1 51  ? -4.28031  -19.45577 16.03101  1.000 78.61546  ? 51  GLU   A C    1 
ATOM   534  O  O    . GLU   A 1 51  ? -3.53132  -19.75637 15.09347  1.000 82.35176  ? 51  GLU   A O    1 
ATOM   535  C  CB   . GLU   A 1 51  ? -4.54650  -18.55665 18.34495  1.000 78.81030  ? 51  GLU   A CB   1 
ATOM   536  C  CG   . GLU   A 1 51  ? -3.65127  -19.48341 19.14046  1.000 88.31829  ? 51  GLU   A CG   1 
ATOM   537  C  CD   . GLU   A 1 51  ? -4.18914  -19.81994 20.50806  1.000 94.01317  ? 51  GLU   A CD   1 
ATOM   538  O  OE1  . GLU   A 1 51  ? -5.42074  -19.96536 20.63431  1.000 89.78894  ? 51  GLU   A OE1  1 
ATOM   539  O  OE2  . GLU   A 1 51  ? -3.36553  -19.96093 21.43700  1.000 99.83262  ? 51  GLU   A OE2  1 
ATOM   540  N  N    . SER   A 1 52  ? -5.37673  -20.14548 16.31985  1.000 72.57460  ? 52  SER   A N    1 
ATOM   541  C  CA   . SER   A 1 52  ? -5.72537  -21.34455 15.57568  1.000 63.21284  ? 52  SER   A CA   1 
ATOM   542  C  C    . SER   A 1 52  ? -5.93385  -21.01664 14.09253  1.000 52.52584  ? 52  SER   A C    1 
ATOM   543  O  O    . SER   A 1 52  ? -5.23934  -20.18005 13.49020  1.000 41.28524  ? 52  SER   A O    1 
ATOM   544  C  CB   . SER   A 1 52  ? -6.98934  -21.98505 16.19755  1.000 70.77940  ? 52  SER   A CB   1 
ATOM   545  O  OG   . SER   A 1 52  ? -7.08783  -23.39203 15.97635  1.000 71.45075  ? 52  SER   A OG   1 
ATOM   546  N  N    . ARG   A 1 53  ? -6.89582  -21.69108 13.49248  1.000 50.80875  ? 53  ARG   A N    1 
ATOM   547  C  CA   . ARG   A 1 53  ? -7.26767  -21.43917 12.12400  1.000 41.76298  ? 53  ARG   A CA   1 
ATOM   548  C  C    . ARG   A 1 53  ? -8.34045  -20.37524 12.09657  1.000 34.91063  ? 53  ARG   A C    1 
ATOM   549  O  O    . ARG   A 1 53  ? -9.13029  -20.23300 13.03246  1.000 31.79334  ? 53  ARG   A O    1 
ATOM   550  C  CB   . ARG   A 1 53  ? -7.77563  -22.72156 11.45130  1.000 46.09668  ? 53  ARG   A CB   1 
ATOM   551  C  CG   . ARG   A 1 53  ? -6.67222  -23.60988 10.91877  1.000 48.88344  ? 53  ARG   A CG   1 
ATOM   552  C  CD   . ARG   A 1 53  ? -7.12687  -25.04097 10.82844  1.000 51.56983  ? 53  ARG   A CD   1 
ATOM   553  N  NE   . ARG   A 1 53  ? -6.33507  -25.87113 11.72757  1.000 62.77119  ? 53  ARG   A NE   1 
ATOM   554  C  CZ   . ARG   A 1 53  ? -6.83164  -26.56230 12.74387  1.000 68.26150  ? 53  ARG   A CZ   1 
ATOM   555  N  NH1  . ARG   A 1 53  ? -8.13490  -26.60204 12.97880  1.000 71.51496  ? 53  ARG   A NH1  1 
ATOM   556  N  NH2  . ARG   A 1 53  ? -6.00331  -27.24860 13.53024  1.000 69.69698  ? 53  ARG   A NH2  1 
ATOM   557  N  N    . TYR   A 1 54  ? -8.37396  -19.64476 10.99581  1.000 30.86048  ? 54  TYR   A N    1 
ATOM   558  C  CA   . TYR   A 1 54  ? -9.43701  -18.70470 10.70297  1.000 27.57077  ? 54  TYR   A CA   1 
ATOM   559  C  C    . TYR   A 1 54  ? -9.98784  -18.97930 9.32408   1.000 26.51066  ? 54  TYR   A C    1 
ATOM   560  O  O    . TYR   A 1 54  ? -9.25557  -19.39149 8.42968   1.000 29.95208  ? 54  TYR   A O    1 
ATOM   561  C  CB   . TYR   A 1 54  ? -8.93602  -17.28582 10.72289  1.000 28.12977  ? 54  TYR   A CB   1 
ATOM   562  C  CG   . TYR   A 1 54  ? -8.34264  -16.89470 12.03553  1.000 30.66340  ? 54  TYR   A CG   1 
ATOM   563  C  CD1  . TYR   A 1 54  ? -7.05119  -17.27634 12.39213  1.000 26.74562  ? 54  TYR   A CD1  1 
ATOM   564  C  CD2  . TYR   A 1 54  ? -9.06643  -16.13211 12.92046  1.000 30.44233  ? 54  TYR   A CD2  1 
ATOM   565  C  CE1  . TYR   A 1 54  ? -6.52637  -16.90414 13.59398  1.000 29.08112  ? 54  TYR   A CE1  1 
ATOM   566  C  CE2  . TYR   A 1 54  ? -8.54381  -15.77729 14.13334  1.000 30.80382  ? 54  TYR   A CE2  1 
ATOM   567  C  CZ   . TYR   A 1 54  ? -7.27019  -16.14272 14.45926  1.000 28.92406  ? 54  TYR   A CZ   1 
ATOM   568  O  OH   . TYR   A 1 54  ? -6.72199  -15.73235 15.68023  1.000 31.16047  ? 54  TYR   A OH   1 
ATOM   569  H  H    . TYR   A 1 54  ? -7.77127  -19.67777 10.38320  1.000 37.03258  ? 54  TYR   A H    1 
ATOM   570  H  HA   . TYR   A 1 54  ? -10.14076 -18.81048 11.36210  1.000 33.08492  ? 54  TYR   A HA   1 
ATOM   571  H  HB2  . TYR   A 1 54  ? -8.25171  -17.18413 10.04298  1.000 33.75573  ? 54  TYR   A HB2  1 
ATOM   572  H  HB3  . TYR   A 1 54  ? -9.67734  -16.68772 10.53953  1.000 33.75573  ? 54  TYR   A HB3  1 
ATOM   573  H  HD1  . TYR   A 1 54  ? -6.54309  -17.78903 11.80572  1.000 32.09474  ? 54  TYR   A HD1  1 
ATOM   574  H  HD2  . TYR   A 1 54  ? -9.92360  -15.85345 12.69130  1.000 36.53080  ? 54  TYR   A HD2  1 
ATOM   575  H  HE1  . TYR   A 1 54  ? -5.66500  -17.16615 13.82700  1.000 34.89735  ? 54  TYR   A HE1  1 
ATOM   576  H  HE2  . TYR   A 1 54  ? -9.05597  -15.28737 14.73548  1.000 36.96458  ? 54  TYR   A HE2  1 
ATOM   577  H  HH   . TYR   A 1 54  ? -7.24872  -15.91665 16.30807  0.000 37.39256  ? 54  TYR   A HH   1 
ATOM   578  N  N    . VAL   A 1 55  ? -11.28339 -18.71176 9.14132   1.000 27.07051  ? 55  VAL   A N    1 
ATOM   579  C  CA   . VAL   A 1 55  ? -11.87787 -18.91949 7.83071   1.000 28.62427  ? 55  VAL   A CA   1 
ATOM   580  C  C    . VAL   A 1 55  ? -11.28852 -17.93621 6.84116   1.000 30.55027  ? 55  VAL   A C    1 
ATOM   581  O  O    . VAL   A 1 55  ? -11.00471 -16.78548 7.17674   1.000 33.04043  ? 55  VAL   A O    1 
ATOM   582  C  CB   . VAL   A 1 55  ? -13.40011 -18.72349 7.90924   1.000 30.39809  ? 55  VAL   A CB   1 
ATOM   583  C  CG1  . VAL   A 1 55  ? -14.02050 -18.72067 6.52793   1.000 31.93924  ? 55  VAL   A CG1  1 
ATOM   584  C  CG2  . VAL   A 1 55  ? -14.04045 -19.80317 8.74289   1.000 33.19906  ? 55  VAL   A CG2  1 
ATOM   585  H  H    . VAL   A 1 55  ? -11.82063 -18.41774 9.74508   1.000 32.48461  ? 55  VAL   A H    1 
ATOM   586  H  HA   . VAL   A 1 55  ? -11.68172 -19.82144 7.53254   1.000 34.34912  ? 55  VAL   A HA   1 
ATOM   587  H  HB   . VAL   A 1 55  ? -13.56588 -17.86419 8.32759   1.000 36.47771  ? 55  VAL   A HB   1 
ATOM   588  H  HG11 . VAL   A 1 55  ? -13.53726 -19.34413 5.96342   1.000 38.32709  ? 55  VAL   A HG11 1 
ATOM   589  H  HG12 . VAL   A 1 55  ? -13.96276 -17.82599 6.15763   1.000 38.32709  ? 55  VAL   A HG12 1 
ATOM   590  H  HG13 . VAL   A 1 55  ? -14.94965 -18.99012 6.59850   1.000 38.32709  ? 55  VAL   A HG13 1 
ATOM   591  H  HG21 . VAL   A 1 55  ? -13.85888 -19.62837 9.67957   1.000 39.83887  ? 55  VAL   A HG21 1 
ATOM   592  H  HG22 . VAL   A 1 55  ? -13.66756 -20.66167 8.48828   1.000 39.83887  ? 55  VAL   A HG22 1 
ATOM   593  H  HG23 . VAL   A 1 55  ? -14.99749 -19.79828 8.58494   1.000 39.83887  ? 55  VAL   A HG23 1 
ATOM   594  N  N    . LEU   A 1 56  ? -11.12750 -18.37617 5.59280   1.000 29.89856  ? 56  LEU   A N    1 
ATOM   595  C  CA   . LEU   A 1 56  ? -10.73729 -17.45966 4.53607   1.000 34.45788  ? 56  LEU   A CA   1 
ATOM   596  C  C    . LEU   A 1 56  ? -11.66127 -17.68502 3.35693   1.000 30.76250  ? 56  LEU   A C    1 
ATOM   597  O  O    . LEU   A 1 56  ? -12.16870 -18.78229 3.15308   1.000 30.19037  ? 56  LEU   A O    1 
ATOM   598  C  CB   . LEU   A 1 56  ? -9.27734  -17.63789 4.09992   1.000 33.63020  ? 56  LEU   A CB   1 
ATOM   599  C  CG   . LEU   A 1 56  ? -8.85534  -18.78876 3.20476   1.000 33.50959  ? 56  LEU   A CG   1 
ATOM   600  C  CD1  . LEU   A 1 56  ? -9.11751  -18.48978 1.70785   1.000 31.15645  ? 56  LEU   A CD1  1 
ATOM   601  C  CD2  . LEU   A 1 56  ? -7.37512  -19.09492 3.43675   1.000 43.72668  ? 56  LEU   A CD2  1 
ATOM   602  H  H    . LEU   A 1 56  ? -11.23841 -19.19140 5.34239   1.000 35.87828  ? 56  LEU   A H    1 
ATOM   603  H  HA   . LEU   A 1 56  ? -10.82236 -16.54525 4.84836   1.000 41.34946  ? 56  LEU   A HA   1 
ATOM   604  H  HB2  . LEU   A 1 56  ? -9.02453  -16.82956 3.62705   1.000 40.35624  ? 56  LEU   A HB2  1 
ATOM   605  H  HB3  . LEU   A 1 56  ? -8.75089  -17.72691 4.90975   1.000 40.35624  ? 56  LEU   A HB3  1 
ATOM   606  H  HG   . LEU   A 1 56  ? -9.38721  -19.56813 3.42973   1.000 40.21151  ? 56  LEU   A HG   1 
ATOM   607  H  HD11 . LEU   A 1 56  ? -9.94975  -18.91159 1.44260   1.000 37.38774  ? 56  LEU   A HD11 1 
ATOM   608  H  HD12 . LEU   A 1 56  ? -8.38418  -18.84513 1.18168   1.000 37.38774  ? 56  LEU   A HD12 1 
ATOM   609  H  HD13 . LEU   A 1 56  ? -9.17897  -17.52974 1.58361   1.000 37.38774  ? 56  LEU   A HD13 1 
ATOM   610  H  HD21 . LEU   A 1 56  ? -6.84930  -18.31878 3.18773   1.000 52.47202  ? 56  LEU   A HD21 1 
ATOM   611  H  HD22 . LEU   A 1 56  ? -7.12073  -19.85566 2.89135   1.000 52.47202  ? 56  LEU   A HD22 1 
ATOM   612  H  HD23 . LEU   A 1 56  ? -7.23831  -19.30001 4.37490   1.000 52.47202  ? 56  LEU   A HD23 1 
ATOM   613  N  N    . THR   A 1 57  ? -11.93221 -16.61989 2.62396   1.000 30.96150  ? 57  THR   A N    1 
ATOM   614  C  CA   . THR   A 1 57  ? -12.62615 -16.72124 1.35421   1.000 29.48675  ? 57  THR   A CA   1 
ATOM   615  C  C    . THR   A 1 57  ? -12.02013 -15.71964 0.38338   1.000 27.20116  ? 57  THR   A C    1 
ATOM   616  O  O    . THR   A 1 57  ? -11.47603 -14.69215 0.78255   1.000 29.87612  ? 57  THR   A O    1 
ATOM   617  C  CB   . THR   A 1 57  ? -14.12598 -16.47183 1.50492   1.000 36.14733  ? 57  THR   A CB   1 
ATOM   618  O  OG1  . THR   A 1 57  ? -14.75234 -16.67636 0.23371   1.000 43.57386  ? 57  THR   A OG1  1 
ATOM   619  C  CG2  . THR   A 1 57  ? -14.38442 -15.08978 1.96346   1.000 31.64330  ? 57  THR   A CG2  1 
ATOM   620  H  H    . THR   A 1 57  ? -11.72130 -15.81566 2.84379   1.000 37.15380  ? 57  THR   A H    1 
ATOM   621  H  HA   . THR   A 1 57  ? -12.51143 -17.61167 0.98695   1.000 35.38410  ? 57  THR   A HA   1 
ATOM   622  H  HB   . THR   A 1 57  ? -14.49895 -17.07849 2.16353   1.000 43.37679  ? 57  THR   A HB   1 
ATOM   623  H  HG1  . THR   A 1 57  ? -15.57624 -16.80370 0.33656   0.000 52.28864  ? 57  THR   A HG1  1 
ATOM   624  H  HG21 . THR   A 1 57  ? -13.79431 -14.86913 2.70101   1.000 37.97196  ? 57  THR   A HG21 1 
ATOM   625  H  HG22 . THR   A 1 57  ? -15.30411 -15.00513 2.25995   1.000 37.97196  ? 57  THR   A HG22 1 
ATOM   626  H  HG23 . THR   A 1 57  ? -14.22877 -14.46498 1.23800   1.000 37.97196  ? 57  THR   A HG23 1 
ATOM   627  N  N    . GLY   A 1 58  ? -12.09496 -16.04023 -0.89413  1.000 28.29397  ? 58  GLY   A N    1 
ATOM   628  C  CA   . GLY   A 1 58  ? -11.57713 -15.13928 -1.88261  1.000 26.45962  ? 58  GLY   A CA   1 
ATOM   629  C  C    . GLY   A 1 58  ? -11.98604 -15.57028 -3.25832  1.000 25.69219  ? 58  GLY   A C    1 
ATOM   630  O  O    . GLY   A 1 58  ? -12.93227 -16.33865 -3.42476  1.000 27.14863  ? 58  GLY   A O    1 
ATOM   631  H  H    . GLY   A 1 58  ? -12.43748 -16.76544 -1.20453  1.000 33.95276  ? 58  GLY   A H    1 
ATOM   632  H  HA2  . GLY   A 1 58  ? -11.91686 -14.24515 -1.72128  1.000 31.75155  ? 58  GLY   A HA2  1 
ATOM   633  H  HA3  . GLY   A 1 58  ? -10.60843 -15.12234 -1.83537  1.000 31.75155  ? 58  GLY   A HA3  1 
ATOM   634  N  N    . ARG   A 1 59  ? -11.28659 -15.02163 -4.23695  1.000 26.90818  ? 59  ARG   A N    1 
ATOM   635  C  CA   . ARG   A 1 59  ? -11.55153 -15.25912 -5.64583  1.000 28.14781  ? 59  ARG   A CA   1 
ATOM   636  C  C    . ARG   A 1 59  ? -10.23853 -15.35699 -6.41373  1.000 28.82617  ? 59  ARG   A C    1 
ATOM   637  O  O    . ARG   A 1 59  ? -9.24230  -14.71925 -6.06444  1.000 30.03260  ? 59  ARG   A O    1 
ATOM   638  C  CB   . ARG   A 1 59  ? -12.38669 -14.10859 -6.28189  1.000 31.40469  ? 59  ARG   A CB   1 
ATOM   639  C  CG   . ARG   A 1 59  ? -13.67095 -13.77767 -5.57833  1.000 29.21171  ? 59  ARG   A CG   1 
ATOM   640  C  CD   . ARG   A 1 59  ? -14.77790 -14.78386 -5.87418  1.000 28.11619  ? 59  ARG   A CD   1 
ATOM   641  N  NE   . ARG   A 1 59  ? -15.09179 -14.81371 -7.29844  1.000 30.32789  ? 59  ARG   A NE   1 
ATOM   642  C  CZ   . ARG   A 1 59  ? -15.79239 -15.76588 -7.89451  1.000 28.65390  ? 59  ARG   A CZ   1 
ATOM   643  N  NH1  . ARG   A 1 59  ? -16.29319 -16.78583 -7.21588  1.000 28.90354  ? 59  ARG   A NH1  1 
ATOM   644  N  NH2  . ARG   A 1 59  ? -15.96167 -15.71311 -9.21117  1.000 31.72013  ? 59  ARG   A NH2  1 
ATOM   645  H  H    . ARG   A 1 59  ? -10.62643 -14.48622 -4.10608  1.000 32.28982  ? 59  ARG   A H    1 
ATOM   646  H  HA   . ARG   A 1 59  ? -12.03410 -16.09688 -5.72439  1.000 33.77737  ? 59  ARG   A HA   1 
ATOM   647  H  HB2  . ARG   A 1 59  ? -11.84436 -13.30438 -6.28638  1.000 37.68563  ? 59  ARG   A HB2  1 
ATOM   648  H  HB3  . ARG   A 1 59  ? -12.61223 -14.36172 -7.19071  1.000 37.68563  ? 59  ARG   A HB3  1 
ATOM   649  H  HG2  . ARG   A 1 59  ? -13.51619 -13.77467 -4.62076  1.000 35.05405  ? 59  ARG   A HG2  1 
ATOM   650  H  HG3  . ARG   A 1 59  ? -13.97493 -12.90326 -5.86800  1.000 35.05405  ? 59  ARG   A HG3  1 
ATOM   651  H  HD2  . ARG   A 1 59  ? -14.48923 -15.66987 -5.60483  1.000 33.73943  ? 59  ARG   A HD2  1 
ATOM   652  H  HD3  . ARG   A 1 59  ? -15.57946 -14.53411 -5.38836  1.000 33.73943  ? 59  ARG   A HD3  1 
ATOM   653  H  HE   . ARG   A 1 59  ? -14.80120 -14.16710 -7.78532  1.000 36.39347  ? 59  ARG   A HE   1 
ATOM   654  H  HH11 . ARG   A 1 59  ? -16.16650 -16.84124 -6.36707  0.000 34.68424  ? 59  ARG   A HH11 1 
ATOM   655  H  HH12 . ARG   A 1 59  ? -16.74531 -17.39316 -7.62371  0.000 34.68424  ? 59  ARG   A HH12 1 
ATOM   656  H  HH21 . ARG   A 1 59  ? -16.41452 -16.32498 -9.61136  1.000 38.06415  ? 59  ARG   A HH21 1 
ATOM   657  H  HH22 . ARG   A 1 59  ? -15.61839 -15.06709 -9.66330  1.000 38.06415  ? 59  ARG   A HH22 1 
ATOM   658  N  N    . TYR   A 1 60  ? -10.28407 -16.05905 -7.54666  1.000 29.23994  ? 60  TYR   A N    1 
ATOM   659  C  CA   . TYR   A 1 60  ? -9.14217  -16.13514 -8.45107  1.000 30.24266  ? 60  TYR   A CA   1 
ATOM   660  C  C    . TYR   A 1 60  ? -9.64115  -16.12927 -9.88760  1.000 30.10343  ? 60  TYR   A C    1 
ATOM   661  O  O    . TYR   A 1 60  ? -10.80805 -16.40937 -10.16839 1.000 29.58497  ? 60  TYR   A O    1 
ATOM   662  C  CB   . TYR   A 1 60  ? -8.27220  -17.37581 -8.15596  1.000 28.44498  ? 60  TYR   A CB   1 
ATOM   663  C  CG   . TYR   A 1 60  ? -8.80744  -18.67302 -8.68969  1.000 26.39328  ? 60  TYR   A CG   1 
ATOM   664  C  CD1  . TYR   A 1 60  ? -9.90614  -19.26783 -8.10560  1.000 30.40825  ? 60  TYR   A CD1  1 
ATOM   665  C  CD2  . TYR   A 1 60  ? -8.23582  -19.29761 -9.79603  1.000 28.80963  ? 60  TYR   A CD2  1 
ATOM   666  C  CE1  . TYR   A 1 60  ? -10.43209 -20.43678 -8.60406  1.000 33.32753  ? 60  TYR   A CE1  1 
ATOM   667  C  CE2  . TYR   A 1 60  ? -8.76477  -20.47264 -10.28867 1.000 32.39951  ? 60  TYR   A CE2  1 
ATOM   668  C  CZ   . TYR   A 1 60  ? -9.84997  -21.04672 -9.68399  1.000 36.30279  ? 60  TYR   A CZ   1 
ATOM   669  O  OH   . TYR   A 1 60  ? -10.39327 -22.23604 -10.17533 1.000 37.86620  ? 60  TYR   A OH   1 
ATOM   670  H  H    . TYR   A 1 60  ? -10.97113 -16.50229 -7.81329  1.000 35.08792  ? 60  TYR   A H    1 
ATOM   671  H  HA   . TYR   A 1 60  ? -8.57878  -15.35311 -8.34185  1.000 36.29119  ? 60  TYR   A HA   1 
ATOM   672  H  HB2  . TYR   A 1 60  ? -7.39766  -17.23798 -8.55229  1.000 34.13398  ? 60  TYR   A HB2  1 
ATOM   673  H  HB3  . TYR   A 1 60  ? -8.18942  -17.47011 -7.19411  1.000 34.13398  ? 60  TYR   A HB3  1 
ATOM   674  H  HD1  . TYR   A 1 60  ? -10.29837 -18.87139 -7.36137  1.000 36.48990  ? 60  TYR   A HD1  1 
ATOM   675  H  HD2  . TYR   A 1 60  ? -7.49158  -18.91934 -10.20582 1.000 34.57156  ? 60  TYR   A HD2  1 
ATOM   676  H  HE1  . TYR   A 1 60  ? -11.18406 -20.81379 -8.20745  1.000 39.99303  ? 60  TYR   A HE1  1 
ATOM   677  H  HE2  . TYR   A 1 60  ? -8.38253  -20.87608 -11.03434 1.000 38.87941  ? 60  TYR   A HE2  1 
ATOM   678  H  HH   . TYR   A 1 60  ? -11.11612 -22.40556 -9.78245  0.000 45.43945  ? 60  TYR   A HH   1 
ATOM   679  N  N    . ASP   A 1 61  ? -8.72970  -15.82437 -10.80375 1.000 29.65006  ? 61  ASP   A N    1 
ATOM   680  C  CA   . ASP   A 1 61  ? -9.04072  -15.83536 -12.22827 1.000 29.88114  ? 61  ASP   A CA   1 
ATOM   681  C  C    . ASP   A 1 61  ? -9.00223  -17.27555 -12.70032 1.000 32.69746  ? 61  ASP   A C    1 
ATOM   682  O  O    . ASP   A 1 61  ? -7.93271  -17.90799 -12.71517 1.000 34.73618  ? 61  ASP   A O    1 
ATOM   683  C  CB   . ASP   A 1 61  ? -8.02892  -14.97833 -12.97570 1.000 31.00676  ? 61  ASP   A CB   1 
ATOM   684  C  CG   . ASP   A 1 61  ? -8.19744  -15.04484 -14.47360 1.000 32.65763  ? 61  ASP   A CG   1 
ATOM   685  O  OD1  . ASP   A 1 61  ? -9.15643  -15.67716 -14.98280 1.000 36.78073  ? 61  ASP   A OD1  1 
ATOM   686  O  OD2  . ASP   A 1 61  ? -7.34596  -14.46770 -15.15969 1.000 35.17521  ? 61  ASP   A OD2  1 
ATOM   687  H  H    . ASP   A 1 61  ? -7.91732  -15.60592 -10.62509 1.000 35.58007  ? 61  ASP   A H    1 
ATOM   688  H  HA   . ASP   A 1 61  ? -9.92340  -15.46907 -12.39443 1.000 35.85737  ? 61  ASP   A HA   1 
ATOM   689  H  HB2  . ASP   A 1 61  ? -8.13583  -14.05360 -12.70304 1.000 37.20812  ? 61  ASP   A HB2  1 
ATOM   690  H  HB3  . ASP   A 1 61  ? -7.13451  -15.28625 -12.76096 1.000 37.20812  ? 61  ASP   A HB3  1 
ATOM   691  N  N    . SER   A 1 62  ? -10.15771 -17.82538 -13.05782 1.000 33.81769  ? 62  SER   A N    1 
ATOM   692  C  CA   . SER   A 1 62  ? -10.22320 -19.23122 -13.42761 1.000 35.13430  ? 62  SER   A CA   1 
ATOM   693  C  C    . SER   A 1 62  ? -9.89423  -19.47065 -14.90221 1.000 42.23053  ? 62  SER   A C    1 
ATOM   694  O  O    . SER   A 1 62  ? -9.98844  -20.60848 -15.37388 1.000 42.07915  ? 62  SER   A O    1 
ATOM   695  C  CB   . SER   A 1 62  ? -11.59788 -19.79977 -13.08554 1.000 38.74871  ? 62  SER   A CB   1 
ATOM   696  O  OG   . SER   A 1 62  ? -12.63582 -18.97527 -13.56142 1.000 43.68795  ? 62  SER   A OG   1 
ATOM   697  H  H    . SER   A 1 62  ? -10.90852 -17.40749 -13.09302 1.000 40.58122  ? 62  SER   A H    1 
ATOM   698  H  HA   . SER   A 1 62  ? -9.56972  -19.72141 -12.90456 1.000 42.16117  ? 62  SER   A HA   1 
ATOM   699  H  HB2  . SER   A 1 62  ? -11.68354 -20.67602 -13.49268 1.000 46.49845  ? 62  SER   A HB2  1 
ATOM   700  H  HB3  . SER   A 1 62  ? -11.67441 -19.87303 -12.12135 1.000 46.49845  ? 62  SER   A HB3  1 
ATOM   701  H  HG   . SER   A 1 62  ? -13.38081 -19.32327 -13.38972 0.000 52.42554  ? 62  SER   A HG   1 
ATOM   702  N  N    . ALA   A 1 63  ? -9.46214  -18.43840 -15.62170 1.000 39.08732  ? 63  ALA   A N    1 
ATOM   703  C  CA   . ALA   A 1 63  ? -9.06787  -18.54025 -17.03255 1.000 41.46974  ? 63  ALA   A CA   1 
ATOM   704  C  C    . ALA   A 1 63  ? -7.91299  -17.58575 -17.24691 1.000 46.76661  ? 63  ALA   A C    1 
ATOM   705  O  O    . ALA   A 1 63  ? -8.05117  -16.54099 -17.91169 1.000 50.41882  ? 63  ALA   A O    1 
ATOM   706  C  CB   . ALA   A 1 63  ? -10.23551 -18.20998 -17.95860 1.000 43.73736  ? 63  ALA   A CB   1 
ATOM   707  H  H    . ALA   A 1 63  ? -9.38477  -17.64137 -15.30808 1.000 46.90479  ? 63  ALA   A H    1 
ATOM   708  H  HA   . ALA   A 1 63  ? -8.78233  -19.44563 -17.23172 1.000 49.76369  ? 63  ALA   A HA   1 
ATOM   709  H  HB1  . ALA   A 1 63  ? -9.92984  -18.24868 -18.87837 1.000 52.48483  ? 63  ALA   A HB1  1 
ATOM   710  H  HB2  . ALA   A 1 63  ? -10.94338 -18.85804 -17.81774 1.000 52.48483  ? 63  ALA   A HB2  1 
ATOM   711  H  HB3  . ALA   A 1 63  ? -10.55803 -17.31824 -17.75446 1.000 52.48483  ? 63  ALA   A HB3  1 
ATOM   712  N  N    . PRO   A 1 64  ? -6.74860  -17.86368 -16.66239 1.000 46.86662  ? 64  PRO   A N    1 
ATOM   713  C  CA   . PRO   A 1 64  ? -5.60813  -16.96273 -16.78912 1.000 49.23931  ? 64  PRO   A CA   1 
ATOM   714  C  C    . PRO   A 1 64  ? -5.08988  -16.91976 -18.21344 1.000 55.66757  ? 64  PRO   A C    1 
ATOM   715  O  O    . PRO   A 1 64  ? -5.36449  -17.79545 -19.03497 1.000 55.19315  ? 64  PRO   A O    1 
ATOM   716  C  CB   . PRO   A 1 64  ? -4.55768  -17.56129 -15.85043 1.000 51.01543  ? 64  PRO   A CB   1 
ATOM   717  C  CG   . PRO   A 1 64  ? -4.91906  -19.01356 -15.77649 1.000 54.31991  ? 64  PRO   A CG   1 
ATOM   718  C  CD   . PRO   A 1 64  ? -6.43286  -19.02168 -15.79388 1.000 52.87370  ? 64  PRO   A CD   1 
ATOM   719  H  HA   . PRO   A 1 64  ? -5.84540  -16.07086 -16.49048 1.000 59.08717  ? 64  PRO   A HA   1 
ATOM   720  H  HB2  . PRO   A 1 64  ? -3.66998  -17.43961 -16.22201 1.000 61.21851  ? 64  PRO   A HB2  1 
ATOM   721  H  HB3  . PRO   A 1 64  ? -4.61232  -17.14176 -14.97755 1.000 61.21851  ? 64  PRO   A HB3  1 
ATOM   722  H  HG2  . PRO   A 1 64  ? -4.55822  -19.48668 -16.54255 1.000 65.18389  ? 64  PRO   A HG2  1 
ATOM   723  H  HG3  . PRO   A 1 64  ? -4.57691  -19.40125 -14.95581 1.000 65.18389  ? 64  PRO   A HG3  1 
ATOM   724  H  HD2  . PRO   A 1 64  ? -6.77251  -19.84626 -16.17548 1.000 63.44844  ? 64  PRO   A HD2  1 
ATOM   725  H  HD3  . PRO   A 1 64  ? -6.79224  -18.89628 -14.90168 1.000 63.44844  ? 64  PRO   A HD3  1 
ATOM   726  N  N    . ALA   A 1 65  ? -4.32995  -15.87299 -18.49663 1.000 58.93876  ? 65  ALA   A N    1 
ATOM   727  C  CA   . ALA   A 1 65  ? -3.63254  -15.79453 -19.76757 1.000 67.01337  ? 65  ALA   A CA   1 
ATOM   728  C  C    . ALA   A 1 65  ? -2.59741  -16.91330 -19.85458 1.000 72.86534  ? 65  ALA   A C    1 
ATOM   729  O  O    . ALA   A 1 65  ? -1.93916  -17.26354 -18.86926 1.000 74.90184  ? 65  ALA   A O    1 
ATOM   730  C  CB   . ALA   A 1 65  ? -2.97598  -14.42350 -19.92731 1.000 66.05352  ? 65  ALA   A CB   1 
ATOM   731  H  H    . ALA   A 1 65  ? -4.20296  -15.20137 -17.97472 1.000 70.72651  ? 65  ALA   A H    1 
ATOM   732  H  HA   . ALA   A 1 65  ? -4.25650  -15.90135 -20.50253 1.000 80.41604  ? 65  ALA   A HA   1 
ATOM   733  H  HB1  . ALA   A 1 65  ? -2.50868  -14.39419 -20.77682 1.000 79.26422  ? 65  ALA   A HB1  1 
ATOM   734  H  HB2  . ALA   A 1 65  ? -3.66341  -13.73954 -19.90416 1.000 79.26422  ? 65  ALA   A HB2  1 
ATOM   735  H  HB3  . ALA   A 1 65  ? -2.34890  -14.28698 -19.19996 1.000 79.26422  ? 65  ALA   A HB3  1 
ATOM   736  N  N    . THR   A 1 66  ? -2.47894  -17.50306 -21.03454 1.000 78.74159  ? 66  THR   A N    1 
ATOM   737  C  CA   . THR   A 1 66  ? -1.52410  -18.57905 -21.25243 1.000 82.33670  ? 66  THR   A CA   1 
ATOM   738  C  C    . THR   A 1 66  ? -0.18883  -18.06471 -21.75494 1.000 81.81930  ? 66  THR   A C    1 
ATOM   739  O  O    . THR   A 1 66  ? 0.62605   -18.85758 -22.24349 1.000 82.41788  ? 66  THR   A O    1 
ATOM   740  C  CB   . THR   A 1 66  ? -2.09736  -19.58966 -22.23905 1.000 85.61746  ? 66  THR   A CB   1 
ATOM   741  O  OG1  . THR   A 1 66  ? -2.35276  -18.93585 -23.48481 1.000 89.35419  ? 66  THR   A OG1  1 
ATOM   742  C  CG2  . THR   A 1 66  ? -3.39886  -20.15087 -21.69586 1.000 85.72183  ? 66  THR   A CG2  1 
ATOM   743  H  H    . THR   A 1 66  ? -2.94303  -17.29664 -21.72853 1.000 94.48991  ? 66  THR   A H    1 
ATOM   744  H  HA   . THR   A 1 66  ? -1.37089  -19.04088 -20.41330 1.000 98.80404  ? 66  THR   A HA   1 
ATOM   745  H  HB   . THR   A 1 66  ? -1.47175  -20.31819 -22.37597 1.000 102.74095 ? 66  THR   A HB   1 
ATOM   746  H  HG1  . THR   A 1 66  ? -3.14799  -18.66647 -23.51016 0.000 107.22503 ? 66  THR   A HG1  1 
ATOM   747  H  HG21 . THR   A 1 66  ? -3.28769  -20.40681 -20.76686 1.000 102.86619 ? 66  THR   A HG21 1 
ATOM   748  H  HG22 . THR   A 1 66  ? -3.66300  -20.93121 -22.20792 1.000 102.86619 ? 66  THR   A HG22 1 
ATOM   749  H  HG23 . THR   A 1 66  ? -4.09930  -19.48259 -21.75662 1.000 102.86619 ? 66  THR   A HG23 1 
ATOM   750  N  N    . ASP   A 1 67  ? 0.04518   -16.75582 -21.65587 1.000 79.24383  ? 67  ASP   A N    1 
ATOM   751  C  CA   . ASP   A 1 67  ? 1.26899   -16.13825 -22.13599 1.000 78.19171  ? 67  ASP   A CA   1 
ATOM   752  C  C    . ASP   A 1 67  ? 2.38854   -16.20927 -21.12358 1.000 70.04310  ? 67  ASP   A C    1 
ATOM   753  O  O    . ASP   A 1 67  ? 3.34747   -15.43674 -21.22663 1.000 71.64226  ? 67  ASP   A O    1 
ATOM   754  C  CB   . ASP   A 1 67  ? 0.99857   -14.68335 -22.51852 1.000 84.02292  ? 67  ASP   A CB   1 
ATOM   755  C  CG   . ASP   A 1 67  ? 0.65028   -13.82548 -21.32495 1.000 91.81555  ? 67  ASP   A CG   1 
ATOM   756  O  OD1  . ASP   A 1 67  ? 0.43792   -12.61088 -21.50997 1.000 96.22071  ? 67  ASP   A OD1  1 
ATOM   757  O  OD2  . ASP   A 1 67  ? 0.60738   -14.35733 -20.19829 1.000 93.92245  ? 67  ASP   A OD2  1 
ATOM   758  H  H    . ASP   A 1 67  ? -0.50601  -16.19641 -21.30537 1.000 95.09260  ? 67  ASP   A H    1 
ATOM   759  H  HA   . ASP   A 1 67  ? 1.56204   -16.60596 -22.93365 1.000 93.83006  ? 67  ASP   A HA   1 
ATOM   760  H  HB2  . ASP   A 1 67  ? 1.79249   -14.31222 -22.93428 1.000 100.82750 ? 67  ASP   A HB2  1 
ATOM   761  H  HB3  . ASP   A 1 67  ? 0.25367   -14.65207 -23.13904 1.000 100.82750 ? 67  ASP   A HB3  1 
ATOM   762  N  N    . GLY   A 1 68  ? 2.29719   -17.12293 -20.16277 1.000 59.35385  ? 68  GLY   A N    1 
ATOM   763  C  CA   . GLY   A 1 68  ? 3.27463   -17.21321 -19.10443 1.000 50.31842  ? 68  GLY   A CA   1 
ATOM   764  C  C    . GLY   A 1 68  ? 2.99161   -16.31253 -17.92845 1.000 50.55197  ? 68  GLY   A C    1 
ATOM   765  O  O    . GLY   A 1 68  ? 3.77633   -16.30076 -16.97311 1.000 52.35491  ? 68  GLY   A O    1 
ATOM   766  H  H    . GLY   A 1 68  ? 1.66737   -17.70594 -20.10781 1.000 71.22462  ? 68  GLY   A H    1 
ATOM   767  H  HA2  . GLY   A 1 68  ? 3.30371   -18.12733 -18.78127 1.000 60.38211  ? 68  GLY   A HA2  1 
ATOM   768  H  HA3  . GLY   A 1 68  ? 4.14531   -16.97624 -19.46034 1.000 60.38211  ? 68  GLY   A HA3  1 
ATOM   769  N  N    . SER   A 1 69  ? 1.89940   -15.56097 -17.96578 1.000 45.64473  ? 69  SER   A N    1 
ATOM   770  C  CA   . SER   A 1 69  ? 1.56800   -14.66998 -16.87665 1.000 42.48695  ? 69  SER   A CA   1 
ATOM   771  C  C    . SER   A 1 69  ? 1.02515   -15.46208 -15.70285 1.000 35.14000  ? 69  SER   A C    1 
ATOM   772  O  O    . SER   A 1 69  ? 0.54370   -16.58406 -15.84082 1.000 36.42749  ? 69  SER   A O    1 
ATOM   773  C  CB   . SER   A 1 69  ? 0.53965   -13.62954 -17.31255 1.000 52.60960  ? 69  SER   A CB   1 
ATOM   774  O  OG   . SER   A 1 69  ? 1.14807   -12.65589 -18.14819 1.000 58.74733  ? 69  SER   A OG   1 
ATOM   775  H  H    . SER   A 1 69  ? 1.33515   -15.55205 -18.61473 1.000 54.77367  ? 69  SER   A H    1 
ATOM   776  H  HA   . SER   A 1 69  ? 2.36784   -14.19828 -16.59619 1.000 50.98434  ? 69  SER   A HA   1 
ATOM   777  H  HB2  . SER   A 1 69  ? -0.17074  -14.07100 -17.80383 1.000 63.13152  ? 69  SER   A HB2  1 
ATOM   778  H  HB3  . SER   A 1 69  ? 0.17710   -13.19202 -16.52641 1.000 63.13152  ? 69  SER   A HB3  1 
ATOM   779  H  HG   . SER   A 1 69  ? 0.57854   -12.33229 -18.67403 1.000 70.49680  ? 69  SER   A HG   1 
ATOM   780  N  N    . GLY   A 1 70  ? 1.13062   -14.87153 -14.53889 1.000 34.81730  ? 70  GLY   A N    1 
ATOM   781  C  CA   . GLY   A 1 70  ? 0.55152   -15.46729 -13.36203 1.000 34.44704  ? 70  GLY   A CA   1 
ATOM   782  C  C    . GLY   A 1 70  ? -0.96110  -15.35925 -13.32222 1.000 32.35328  ? 70  GLY   A C    1 
ATOM   783  O  O    . GLY   A 1 70  ? -1.61597  -14.72188 -14.15513 1.000 34.73319  ? 70  GLY   A O    1 
ATOM   784  H  H    . GLY   A 1 70  ? 1.53285   -14.12387 -14.40176 1.000 41.78076  ? 70  GLY   A H    1 
ATOM   785  H  HA2  . GLY   A 1 70  ? 0.78853   -16.40741 -13.33187 1.000 41.33645  ? 70  GLY   A HA2  1 
ATOM   786  H  HA3  . GLY   A 1 70  ? 0.90710   -15.02654 -12.57450 1.000 41.33645  ? 70  GLY   A HA3  1 
ATOM   787  N  N    . THR   A 1 71  ? -1.52554  -16.00913 -12.30227 1.000 31.74287  ? 71  THR   A N    1 
ATOM   788  C  CA   . THR   A 1 71  ? -2.96401  -16.08552 -12.09713 1.000 31.73240  ? 71  THR   A CA   1 
ATOM   789  C  C    . THR   A 1 71  ? -3.34662  -15.18013 -10.93858 1.000 29.99527  ? 71  THR   A C    1 
ATOM   790  O  O    . THR   A 1 71  ? -2.98193  -15.45496 -9.79835  1.000 29.81774  ? 71  THR   A O    1 
ATOM   791  C  CB   . THR   A 1 71  ? -3.38717  -17.52281 -11.79107 1.000 32.72649  ? 71  THR   A CB   1 
ATOM   792  O  OG1  . THR   A 1 71  ? -3.07588  -18.36884 -12.89354 1.000 36.05181  ? 71  THR   A OG1  1 
ATOM   793  C  CG2  . THR   A 1 71  ? -4.86526  -17.61380 -11.50687 1.000 32.93462  ? 71  THR   A CG2  1 
ATOM   794  H  H    . THR   A 1 71  ? -1.07633  -16.42577 -11.69877 1.000 38.09144  ? 71  THR   A H    1 
ATOM   795  H  HA   . THR   A 1 71  ? -3.41080  -15.77503 -12.90017 1.000 38.07888  ? 71  THR   A HA   1 
ATOM   796  H  HB   . THR   A 1 71  ? -2.90795  -17.82199 -11.00257 1.000 39.27179  ? 71  THR   A HB   1 
ATOM   797  H  HG1  . THR   A 1 71  ? -3.53308  -19.07240 -12.85384 0.000 43.26218  ? 71  THR   A HG1  1 
ATOM   798  H  HG21 . THR   A 1 71  ? -5.15699  -18.53739 -11.55961 1.000 39.52154  ? 71  THR   A HG21 1 
ATOM   799  H  HG22 . THR   A 1 71  ? -5.36069  -17.08965 -12.15549 1.000 39.52154  ? 71  THR   A HG22 1 
ATOM   800  H  HG23 . THR   A 1 71  ? -5.05368  -17.27443 -10.61792 1.000 39.52154  ? 71  THR   A HG23 1 
ATOM   801  N  N    . ALA   A 1 72  ? -4.09456  -14.12669 -11.22128 1.000 28.99971  ? 72  ALA   A N    1 
ATOM   802  C  CA   . ALA   A 1 72  ? -4.47943  -13.18133 -10.18440 1.000 30.15932  ? 72  ALA   A CA   1 
ATOM   803  C  C    . ALA   A 1 72  ? -5.48184  -13.80441 -9.21116  1.000 30.76749  ? 72  ALA   A C    1 
ATOM   804  O  O    . ALA   A 1 72  ? -6.37715  -14.57090 -9.59623  1.000 31.55918  ? 72  ALA   A O    1 
ATOM   805  C  CB   . ALA   A 1 72  ? -5.07539  -11.92065 -10.81350 1.000 33.83116  ? 72  ALA   A CB   1 
ATOM   806  H  H    . ALA   A 1 72  ? -4.39319  -13.93477 -12.00459 1.000 34.79965  ? 72  ALA   A H    1 
ATOM   807  H  HA   . ALA   A 1 72  ? -3.69086  -12.93062 -9.67823  1.000 36.19118  ? 72  ALA   A HA   1 
ATOM   808  H  HB1  . ALA   A 1 72  ? -5.48117  -11.38152 -10.11666 1.000 40.59739  ? 72  ALA   A HB1  1 
ATOM   809  H  HB2  . ALA   A 1 72  ? -4.36771  -11.42022 -11.24901 1.000 40.59739  ? 72  ALA   A HB2  1 
ATOM   810  H  HB3  . ALA   A 1 72  ? -5.74636  -12.17945 -11.46444 1.000 40.59739  ? 72  ALA   A HB3  1 
ATOM   811  N  N    . LEU   A 1 73  ? -5.34913  -13.43536 -7.94127  1.000 30.26533  ? 73  LEU   A N    1 
ATOM   812  C  CA   . LEU   A 1 73  ? -6.21730  -13.94314 -6.89447  1.000 31.23681  ? 73  LEU   A CA   1 
ATOM   813  C  C    . LEU   A 1 73  ? -6.16443  -12.98811 -5.71337  1.000 29.25586  ? 73  LEU   A C    1 
ATOM   814  O  O    . LEU   A 1 73  ? -5.27393  -12.14294 -5.60612  1.000 31.02329  ? 73  LEU   A O    1 
ATOM   815  C  CB   . LEU   A 1 73  ? -5.79581  -15.34056 -6.46433  1.000 31.11315  ? 73  LEU   A CB   1 
ATOM   816  C  CG   . LEU   A 1 73  ? -4.32431  -15.55058 -6.15054  1.000 35.48996  ? 73  LEU   A CG   1 
ATOM   817  C  CD1  . LEU   A 1 73  ? -3.85076  -14.85701 -4.94803  1.000 43.83069  ? 73  LEU   A CD1  1 
ATOM   818  C  CD2  . LEU   A 1 73  ? -4.12323  -17.02912 -5.95570  1.000 37.70420  ? 73  LEU   A CD2  1 
ATOM   819  H  H    . LEU   A 1 73  ? -4.75333  -12.88299 -7.65929  1.000 36.31840  ? 73  LEU   A H    1 
ATOM   820  H  HA   . LEU   A 1 73  ? -7.12843  -13.97557 -7.22568  1.000 37.48417  ? 73  LEU   A HA   1 
ATOM   821  H  HB2  . LEU   A 1 73  ? -6.29148  -15.56825 -5.66223  1.000 37.33578  ? 73  LEU   A HB2  1 
ATOM   822  H  HB3  . LEU   A 1 73  ? -6.02292  -15.95449 -7.18016  1.000 37.33578  ? 73  LEU   A HB3  1 
ATOM   823  H  HG   . LEU   A 1 73  ? -3.80699  -15.18388 -6.88458  1.000 42.58796  ? 73  LEU   A HG   1 
ATOM   824  H  HD11 . LEU   A 1 73  ? -3.70369  -13.92196 -5.16006  1.000 52.59683  ? 73  LEU   A HD11 1 
ATOM   825  H  HD12 . LEU   A 1 73  ? -3.02063  -15.26424 -4.65487  1.000 52.59683  ? 73  LEU   A HD12 1 
ATOM   826  H  HD13 . LEU   A 1 73  ? -4.52208  -14.93683 -4.25243  1.000 52.59683  ? 73  LEU   A HD13 1 
ATOM   827  H  HD21 . LEU   A 1 73  ? -4.73382  -17.34329 -5.27058  1.000 45.24504  ? 73  LEU   A HD21 1 
ATOM   828  H  HD22 . LEU   A 1 73  ? -3.20690  -17.18972 -5.68101  1.000 45.24504  ? 73  LEU   A HD22 1 
ATOM   829  H  HD23 . LEU   A 1 73  ? -4.30237  -17.48522 -6.79282  1.000 45.24504  ? 73  LEU   A HD23 1 
ATOM   830  N  N    . GLY   A 1 74  ? -7.12543  -13.14722 -4.82026  1.000 28.37629  ? 74  GLY   A N    1 
ATOM   831  C  CA   . GLY   A 1 74  ? -7.00611  -12.54917 -3.50929  1.000 24.44713  ? 74  GLY   A CA   1 
ATOM   832  C  C    . GLY   A 1 74  ? -7.93517  -13.21246 -2.54442  1.000 25.27048  ? 74  GLY   A C    1 
ATOM   833  O  O    . GLY   A 1 74  ? -8.83853  -13.96000 -2.93072  1.000 25.83342  ? 74  GLY   A O    1 
ATOM   834  H  H    . GLY   A 1 74  ? -7.84927  -13.59325 -4.94955  1.000 34.05155  ? 74  GLY   A H    1 
ATOM   835  H  HA2  . GLY   A 1 74  ? -6.09689  -12.64579 -3.18546  1.000 29.33656  ? 74  GLY   A HA2  1 
ATOM   836  H  HA3  . GLY   A 1 74  ? -7.22567  -11.60556 -3.55726  1.000 29.33656  ? 74  GLY   A HA3  1 
ATOM   837  N  N    . TRP   A 1 75  ? -7.73787  -12.92560 -1.26190  1.000 25.75612  ? 75  TRP   A N    1 
ATOM   838  C  CA   . TRP   A 1 75  ? -8.58194  -13.50910 -0.24266  1.000 26.84027  ? 75  TRP   A CA   1 
ATOM   839  C  C    . TRP   A 1 75  ? -8.53567  -12.62750 0.98867   1.000 27.38706  ? 75  TRP   A C    1 
ATOM   840  O  O    . TRP   A 1 75  ? -7.69540  -11.73381 1.10369   1.000 26.45639  ? 75  TRP   A O    1 
ATOM   841  C  CB   . TRP   A 1 75  ? -8.17976  -14.94036 0.09721   1.000 29.30848  ? 75  TRP   A CB   1 
ATOM   842  C  CG   . TRP   A 1 75  ? -6.86944  -15.12142 0.77471   1.000 27.33590  ? 75  TRP   A CG   1 
ATOM   843  C  CD1  . TRP   A 1 75  ? -6.63306  -15.15165 2.13032   1.000 27.98980  ? 75  TRP   A CD1  1 
ATOM   844  C  CD2  . TRP   A 1 75  ? -5.59933  -15.27413 0.14598   1.000 25.90685  ? 75  TRP   A CD2  1 
ATOM   845  N  NE1  . TRP   A 1 75  ? -5.29704  -15.37786 2.37047   1.000 28.77606  ? 75  TRP   A NE1  1 
ATOM   846  C  CE2  . TRP   A 1 75  ? -4.63998  -15.40750 1.17150   1.000 25.51416  ? 75  TRP   A CE2  1 
ATOM   847  C  CE3  . TRP   A 1 75  ? -5.17163  -15.29716 -1.18587  1.000 28.56530  ? 75  TRP   A CE3  1 
ATOM   848  C  CZ2  . TRP   A 1 75  ? -3.29978  -15.57367 0.90024   1.000 30.72727  ? 75  TRP   A CZ2  1 
ATOM   849  C  CZ3  . TRP   A 1 75  ? -3.82272  -15.47060 -1.44219  1.000 32.99486  ? 75  TRP   A CZ3  1 
ATOM   850  C  CH2  . TRP   A 1 75  ? -2.91734  -15.59330 -0.41264  1.000 29.23077  ? 75  TRP   A CH2  1 
ATOM   851  H  H    . TRP   A 1 75  ? -7.12544  -12.39971 -0.96529  1.000 30.90734  ? 75  TRP   A H    1 
ATOM   852  H  HA   . TRP   A 1 75  ? -9.49333  -13.53342 -0.57384  1.000 32.20833  ? 75  TRP   A HA   1 
ATOM   853  H  HB2  . TRP   A 1 75  ? -8.85648  -15.31138 0.68483   1.000 35.17017  ? 75  TRP   A HB2  1 
ATOM   854  H  HB3  . TRP   A 1 75  ? -8.14408  -15.44697 -0.72921  1.000 35.17017  ? 75  TRP   A HB3  1 
ATOM   855  H  HD1  . TRP   A 1 75  ? -7.28099  -15.03618 2.78740   1.000 33.58776  ? 75  TRP   A HD1  1 
ATOM   856  H  HE1  . TRP   A 1 75  ? -4.93622  -15.48287 3.14402   1.000 34.53127  ? 75  TRP   A HE1  1 
ATOM   857  H  HE3  . TRP   A 1 75  ? -5.77956  -15.19824 -1.88268  1.000 34.27836  ? 75  TRP   A HE3  1 
ATOM   858  H  HZ2  . TRP   A 1 75  ? -2.67767  -15.66903 1.58492   1.000 36.87272  ? 75  TRP   A HZ2  1 
ATOM   859  H  HZ3  . TRP   A 1 75  ? -3.52384  -15.50471 -2.32220  1.000 39.59383  ? 75  TRP   A HZ3  1 
ATOM   860  H  HH2  . TRP   A 1 75  ? -2.01547  -15.69288 -0.61665  1.000 35.07692  ? 75  TRP   A HH2  1 
ATOM   861  N  N    . THR   A 1 76  ? -9.49910  -12.86647 1.88107   1.000 26.39284  ? 76  THR   A N    1 
ATOM   862  C  CA   . THR   A 1 76  ? -9.69375  -12.12759 3.11356   1.000 26.24820  ? 76  THR   A CA   1 
ATOM   863  C  C    . THR   A 1 76  ? -9.74770  -13.10829 4.27404   1.000 24.63559  ? 76  THR   A C    1 
ATOM   864  O  O    . THR   A 1 76  ? -10.32581 -14.19432 4.16255   1.000 26.65092  ? 76  THR   A O    1 
ATOM   865  C  CB   . THR   A 1 76  ? -10.99868 -11.31405 3.09448   1.000 25.97706  ? 76  THR   A CB   1 
ATOM   866  O  OG1  . THR   A 1 76  ? -11.03315 -10.46014 1.94468   1.000 30.66203  ? 76  THR   A OG1  1 
ATOM   867  C  CG2  . THR   A 1 76  ? -11.11307 -10.50302 4.30203   1.000 29.04935  ? 76  THR   A CG2  1 
ATOM   868  H  H    . THR   A 1 76  ? -10.08309 -13.48999 1.78218   1.000 31.67141  ? 76  THR   A H    1 
ATOM   869  H  HA   . THR   A 1 76  ? -8.95160  -11.51536 3.23717   1.000 31.49784  ? 76  THR   A HA   1 
ATOM   870  H  HB   . THR   A 1 76  ? -11.75200 -11.92406 3.05826   1.000 31.17248  ? 76  THR   A HB   1 
ATOM   871  H  HG1  . THR   A 1 76  ? -11.02759 -10.92234 1.24330   0.000 36.79444  ? 76  THR   A HG1  1 
ATOM   872  H  HG21 . THR   A 1 76  ? -11.81234 -9.83994  4.19133   1.000 34.85922  ? 76  THR   A HG21 1 
ATOM   873  H  HG22 . THR   A 1 76  ? -10.27393 -10.04926 4.47764   1.000 34.85922  ? 76  THR   A HG22 1 
ATOM   874  H  HG23 . THR   A 1 76  ? -11.33097 -11.06664 5.06082   1.000 34.85922  ? 76  THR   A HG23 1 
ATOM   875  N  N    . VAL   A 1 77  ? -9.16677  -12.71102 5.39676   1.000 26.85240  ? 77  VAL   A N    1 
ATOM   876  C  CA   . VAL   A 1 77  ? -9.38110  -13.35911 6.67981   1.000 24.36806  ? 77  VAL   A CA   1 
ATOM   877  C  C    . VAL   A 1 77  ? -9.85580  -12.29383 7.64033   1.000 28.77405  ? 77  VAL   A C    1 
ATOM   878  O  O    . VAL   A 1 77  ? -9.21689  -11.24168 7.77462   1.000 29.28802  ? 77  VAL   A O    1 
ATOM   879  C  CB   . VAL   A 1 77  ? -8.10199  -14.01819 7.21610   1.000 26.81926  ? 77  VAL   A CB   1 
ATOM   880  C  CG1  . VAL   A 1 77  ? -8.27671  -14.46587 8.66534   1.000 30.51811  ? 77  VAL   A CG1  1 
ATOM   881  C  CG2  . VAL   A 1 77  ? -7.72679  -15.20715 6.35957   1.000 31.56570  ? 77  VAL   A CG2  1 
ATOM   882  H  H    . VAL   A 1 77  ? -8.62520  -12.04442 5.44088   1.000 32.22288  ? 77  VAL   A H    1 
ATOM   883  H  HA   . VAL   A 1 77  ? -10.05875 -14.04687 6.58659   1.000 29.24167  ? 77  VAL   A HA   1 
ATOM   884  H  HB   . VAL   A 1 77  ? -7.38775  -13.36263 7.18439   1.000 32.18311  ? 77  VAL   A HB   1 
ATOM   885  H  HG11 . VAL   A 1 77  ? -9.12379  -14.93039 8.75244   1.000 36.62173  ? 77  VAL   A HG11 1 
ATOM   886  H  HG12 . VAL   A 1 77  ? -8.26712  -13.68483 9.24048   1.000 36.62173  ? 77  VAL   A HG12 1 
ATOM   887  H  HG13 . VAL   A 1 77  ? -7.54765  -15.06017 8.90237   1.000 36.62173  ? 77  VAL   A HG13 1 
ATOM   888  H  HG21 . VAL   A 1 77  ? -6.79330  -15.13226 6.10681   1.000 37.87883  ? 77  VAL   A HG21 1 
ATOM   889  H  HG22 . VAL   A 1 77  ? -8.28483  -15.21347 5.56619   1.000 37.87883  ? 77  VAL   A HG22 1 
ATOM   890  H  HG23 . VAL   A 1 77  ? -7.86726  -16.02042 6.86925   1.000 37.87883  ? 77  VAL   A HG23 1 
ATOM   891  N  N    . ALA   A 1 78  ? -10.96905 -12.55273 8.29891   1.000 28.82722  ? 78  ALA   A N    1 
ATOM   892  C  CA   . ALA   A 1 78  ? -11.33469 -11.76056 9.46019   1.000 30.33875  ? 78  ALA   A CA   1 
ATOM   893  C  C    . ALA   A 1 78  ? -10.75718 -12.48452 10.66401  1.000 30.17790  ? 78  ALA   A C    1 
ATOM   894  O  O    . ALA   A 1 78  ? -10.95330 -13.69611 10.81367  1.000 34.06617  ? 78  ALA   A O    1 
ATOM   895  C  CB   . ALA   A 1 78  ? -12.84915 -11.59513 9.60230   1.000 31.42589  ? 78  ALA   A CB   1 
ATOM   896  H  H    . ALA   A 1 78  ? -11.52569 -13.17612 8.09612   1.000 34.59266  ? 78  ALA   A H    1 
ATOM   897  H  HA   . ALA   A 1 78  ? -10.98092 -10.86023 9.38838   1.000 36.40650  ? 78  ALA   A HA   1 
ATOM   898  H  HB1  . ALA   A 1 78  ? -13.03998 -11.13721 10.43584  1.000 37.71107  ? 78  ALA   A HB1  1 
ATOM   899  H  HB2  . ALA   A 1 78  ? -13.18139 -11.07373 8.85487   1.000 37.71107  ? 78  ALA   A HB2  1 
ATOM   900  H  HB3  . ALA   A 1 78  ? -13.26382 -12.47203 9.60417   1.000 37.71107  ? 78  ALA   A HB3  1 
ATOM   901  N  N    . TRP   A 1 79  ? -10.06491 -11.74972 11.52667  1.000 28.49439  ? 79  TRP   A N    1 
ATOM   902  C  CA   . TRP   A 1 79  ? -9.28590  -12.36915 12.60769  1.000 27.82959  ? 79  TRP   A CA   1 
ATOM   903  C  C    . TRP   A 1 79  ? -10.14667 -12.63282 13.82998  1.000 29.39014  ? 79  TRP   A C    1 
ATOM   904  O  O    . TRP   A 1 79  ? -9.82888  -12.26217 14.95315  1.000 30.36504  ? 79  TRP   A O    1 
ATOM   905  C  CB   . TRP   A 1 79  ? -8.08357  -11.50140 12.94744  1.000 29.85191  ? 79  TRP   A CB   1 
ATOM   906  C  CG   . TRP   A 1 79  ? -7.10985  -11.43398 11.78216  1.000 30.80540  ? 79  TRP   A CG   1 
ATOM   907  C  CD1  . TRP   A 1 79  ? -6.90820  -10.38077 10.94650  1.000 29.55260  ? 79  TRP   A CD1  1 
ATOM   908  C  CD2  . TRP   A 1 79  ? -6.28497  -12.48672 11.30267  1.000 28.82121  ? 79  TRP   A CD2  1 
ATOM   909  N  NE1  . TRP   A 1 79  ? -5.98395  -10.69282 9.99320   1.000 29.29620  ? 79  TRP   A NE1  1 
ATOM   910  C  CE2  . TRP   A 1 79  ? -5.57991  -11.98979 10.19132  1.000 28.39117  ? 79  TRP   A CE2  1 
ATOM   911  C  CE3  . TRP   A 1 79  ? -6.06809  -13.80437 11.70602  1.000 29.86904  ? 79  TRP   A CE3  1 
ATOM   912  C  CZ2  . TRP   A 1 79  ? -4.69854  -12.76234 9.48060   1.000 28.83059  ? 79  TRP   A CZ2  1 
ATOM   913  C  CZ3  . TRP   A 1 79  ? -5.16543  -14.56871 11.01072  1.000 31.18796  ? 79  TRP   A CZ3  1 
ATOM   914  C  CH2  . TRP   A 1 79  ? -4.48420  -14.04677 9.91419   1.000 29.43172  ? 79  TRP   A CH2  1 
ATOM   915  H  H    . TRP   A 1 79  ? -10.02691 -10.89069 11.51160  1.000 34.19327  ? 79  TRP   A H    1 
ATOM   916  H  HA   . TRP   A 1 79  ? -8.94757  -13.22381 12.29787  1.000 33.39551  ? 79  TRP   A HA   1 
ATOM   917  H  HB2  . TRP   A 1 79  ? -8.38297  -10.60126 13.14996  1.000 35.82230  ? 79  TRP   A HB2  1 
ATOM   918  H  HB3  . TRP   A 1 79  ? -7.62109  -11.87727 13.71277  1.000 35.82230  ? 79  TRP   A HB3  1 
ATOM   919  H  HD1  . TRP   A 1 79  ? -7.34088  -9.56044  11.01537  1.000 35.46311  ? 79  TRP   A HD1  1 
ATOM   920  H  HE1  . TRP   A 1 79  ? -5.70237  -10.16687 9.37377   1.000 35.15544  ? 79  TRP   A HE1  1 
ATOM   921  H  HE3  . TRP   A 1 79  ? -6.52714  -14.15840 12.43323  1.000 35.84284  ? 79  TRP   A HE3  1 
ATOM   922  H  HZ2  . TRP   A 1 79  ? -4.26121  -12.42797 8.73104   1.000 34.59671  ? 79  TRP   A HZ2  1 
ATOM   923  H  HZ3  . TRP   A 1 79  ? -5.00664  -15.44611 11.27501  1.000 37.42555  ? 79  TRP   A HZ3  1 
ATOM   924  H  HH2  . TRP   A 1 79  ? -3.86957  -14.58103 9.46509   1.000 35.31806  ? 79  TRP   A HH2  1 
ATOM   925  N  N    . LYS   A 1 80  ? -11.27811 -13.28171 13.59526  1.000 30.30905  ? 80  LYS   A N    1 
ATOM   926  C  CA   . LYS   A 1 80  ? -12.18488 -13.74285 14.64467  1.000 31.95707  ? 80  LYS   A CA   1 
ATOM   927  C  C    . LYS   A 1 80  ? -12.36413 -15.23964 14.46209  1.000 28.78858  ? 80  LYS   A C    1 
ATOM   928  O  O    . LYS   A 1 80  ? -12.69125 -15.69344 13.36241  1.000 29.25831  ? 80  LYS   A O    1 
ATOM   929  C  CB   . LYS   A 1 80  ? -13.55214 -13.03290 14.56582  1.000 33.08908  ? 80  LYS   A CB   1 
ATOM   930  C  CG   . LYS   A 1 80  ? -14.56498 -13.45778 15.57576  1.000 30.96699  ? 80  LYS   A CG   1 
ATOM   931  C  CD   . LYS   A 1 80  ? -15.87413 -12.75142 15.30466  1.000 38.99918  ? 80  LYS   A CD   1 
ATOM   932  C  CE   . LYS   A 1 80  ? -16.95198 -13.12357 16.33512  1.000 40.51952  ? 80  LYS   A CE   1 
ATOM   933  N  NZ   . LYS   A 1 80  ? -17.43671 -14.48905 16.11580  1.000 48.08224  ? 80  LYS   A NZ   1 
ATOM   934  H  H    . LYS   A 1 80  ? -11.55639 -13.47616 12.80510  1.000 36.37086  ? 80  LYS   A H    1 
ATOM   935  H  HA   . LYS   A 1 80  ? -11.80917 -13.56018 15.52010  1.000 38.34848  ? 80  LYS   A HA   1 
ATOM   936  H  HB2  . LYS   A 1 80  ? -13.40763 -12.08138 14.68679  1.000 39.70689  ? 80  LYS   A HB2  1 
ATOM   937  H  HB3  . LYS   A 1 80  ? -13.93199 -13.20200 13.68946  1.000 39.70689  ? 80  LYS   A HB3  1 
ATOM   938  H  HG2  . LYS   A 1 80  ? -14.70741 -14.41541 15.51610  1.000 37.16038  ? 80  LYS   A HG2  1 
ATOM   939  H  HG3  . LYS   A 1 80  ? -14.26050 -13.22249 16.46617  1.000 37.16038  ? 80  LYS   A HG3  1 
ATOM   940  H  HD2  . LYS   A 1 80  ? -15.73425 -11.79242 15.34550  1.000 46.79902  ? 80  LYS   A HD2  1 
ATOM   941  H  HD3  . LYS   A 1 80  ? -16.19653 -13.00250 14.42493  1.000 46.79902  ? 80  LYS   A HD3  1 
ATOM   942  H  HE2  . LYS   A 1 80  ? -16.57752 -13.07002 17.22832  1.000 48.62342  ? 80  LYS   A HE2  1 
ATOM   943  H  HE3  . LYS   A 1 80  ? -17.70211 -12.51412 16.25278  1.000 48.62342  ? 80  LYS   A HE3  1 
ATOM   944  H  HZ1  . LYS   A 1 80  ? -17.60593 -14.61684 15.25143  1.000 57.69868  ? 80  LYS   A HZ1  1 
ATOM   945  H  HZ2  . LYS   A 1 80  ? -18.18405 -14.62494 16.57961  1.000 57.69868  ? 80  LYS   A HZ2  1 
ATOM   946  H  HZ3  . LYS   A 1 80  ? -16.82219 -15.07627 16.37971  1.000 57.69868  ? 80  LYS   A HZ3  1 
ATOM   947  N  N    . ASN   A 1 81  ? -12.17142 -16.00250 15.54018  1.000 29.39224  ? 81  ASN   A N    1 
ATOM   948  C  CA   . ASN   A 1 81  ? -12.51936 -17.41244 15.58829  1.000 27.48129  ? 81  ASN   A CA   1 
ATOM   949  C  C    . ASN   A 1 81  ? -12.96474 -17.70535 17.01605  1.000 31.36565  ? 81  ASN   A C    1 
ATOM   950  O  O    . ASN   A 1 81  ? -13.24268 -16.78969 17.79686  1.000 33.68641  ? 81  ASN   A O    1 
ATOM   951  C  CB   . ASN   A 1 81  ? -11.35657 -18.29384 15.10066  1.000 31.44270  ? 81  ASN   A CB   1 
ATOM   952  C  CG   . ASN   A 1 81  ? -10.12888 -18.27399 16.00933  1.000 30.05246  ? 81  ASN   A CG   1 
ATOM   953  O  OD1  . ASN   A 1 81  ? -10.15625 -17.74838 17.13378  1.000 33.15370  ? 81  ASN   A OD1  1 
ATOM   954  N  ND2  . ASN   A 1 81  ? -9.02253  -18.86712 15.50701  1.000 31.47368  ? 81  ASN   A ND2  1 
ATOM   955  H  H    . ASN   A 1 81  ? -11.83037 -15.71253 16.27448  1.000 35.27069  ? 81  ASN   A H    1 
ATOM   956  H  HA   . ASN   A 1 81  ? -13.26349 -17.58854 14.99150  1.000 32.97754  ? 81  ASN   A HA   1 
ATOM   957  H  HB2  . ASN   A 1 81  ? -11.66538 -19.21167 15.04478  1.000 37.73123  ? 81  ASN   A HB2  1 
ATOM   958  H  HB3  . ASN   A 1 81  ? -11.07831 -17.98352 14.22477  1.000 37.73123  ? 81  ASN   A HB3  1 
ATOM   959  H  HD21 . ASN   A 1 81  ? -9.04299  -19.22250 14.72414  0.000 37.76842  ? 81  ASN   A HD21 1 
ATOM   960  H  HD22 . ASN   A 1 81  ? -8.29837  -18.88899 15.97038  0.000 37.76842  ? 81  ASN   A HD22 1 
ATOM   961  N  N    . ASN   A 1 82  ? -13.07102 -18.98988 17.35470  1.000 36.29582  ? 82  ASN   A N    1 
ATOM   962  C  CA   . ASN   A 1 82  ? -13.56900 -19.36733 18.66729  1.000 35.24462  ? 82  ASN   A CA   1 
ATOM   963  C  C    . ASN   A 1 82  ? -12.65345 -18.97415 19.80411  1.000 35.04464  ? 82  ASN   A C    1 
ATOM   964  O  O    . ASN   A 1 82  ? -13.09332 -19.05133 20.95625  1.000 39.82595  ? 82  ASN   A O    1 
ATOM   965  C  CB   . ASN   A 1 82  ? -13.76838 -20.87581 18.75350  1.000 46.62009  ? 82  ASN   A CB   1 
ATOM   966  C  CG   . ASN   A 1 82  ? -15.01892 -21.32732 18.08211  1.000 60.11142  ? 82  ASN   A CG   1 
ATOM   967  O  OD1  . ASN   A 1 82  ? -15.95119 -20.54428 17.90260  1.000 63.55543  ? 82  ASN   A OD1  1 
ATOM   968  N  ND2  . ASN   A 1 82  ? -15.06069 -22.60116 17.69909  1.000 63.61848  ? 82  ASN   A ND2  1 
ATOM   969  H  H    . ASN   A 1 82  ? -12.86288 -19.65125 16.84591  1.000 43.55499  ? 82  ASN   A H    1 
ATOM   970  H  HA   . ASN   A 1 82  ? -14.42102 -18.91682 18.77689  1.000 42.29354  ? 82  ASN   A HA   1 
ATOM   971  H  HB2  . ASN   A 1 82  ? -13.01992 -21.31920 18.32441  1.000 55.94411  ? 82  ASN   A HB2  1 
ATOM   972  H  HB3  . ASN   A 1 82  ? -13.81745 -21.13594 19.68668  1.000 55.94411  ? 82  ASN   A HB3  1 
ATOM   973  H  HD21 . ASN   A 1 82  ? -14.38709 -23.11593 17.84359  0.000 76.34218  ? 82  ASN   A HD21 1 
ATOM   974  H  HD22 . ASN   A 1 82  ? -15.76127 -22.90956 17.30708  0.000 76.34218  ? 82  ASN   A HD22 1 
ATOM   975  N  N    . TYR   A 1 83  ? -11.41920 -18.55993 19.51709  1.000 34.72080  ? 83  TYR   A N    1 
ATOM   976  C  CA   . TYR   A 1 83  ? -10.39331 -18.34539 20.52845  1.000 31.28986  ? 83  TYR   A CA   1 
ATOM   977  C  C    . TYR   A 1 83  ? -9.90268  -16.91282 20.61374  1.000 33.16299  ? 83  TYR   A C    1 
ATOM   978  O  O    . TYR   A 1 83  ? -9.34935  -16.53401 21.65081  1.000 34.19867  ? 83  TYR   A O    1 
ATOM   979  C  CB   . TYR   A 1 83  ? -9.17995  -19.24983 20.24687  1.000 33.46183  ? 83  TYR   A CB   1 
ATOM   980  C  CG   . TYR   A 1 83  ? -9.55140  -20.68910 20.12545  1.000 35.94673  ? 83  TYR   A CG   1 
ATOM   981  C  CD1  . TYR   A 1 83  ? -9.76413  -21.46014 21.24852  1.000 44.76898  ? 83  TYR   A CD1  1 
ATOM   982  C  CD2  . TYR   A 1 83  ? -9.70857  -21.28738 18.87989  1.000 43.19108  ? 83  TYR   A CD2  1 
ATOM   983  C  CE1  . TYR   A 1 83  ? -10.12474 -22.79434 21.14009  1.000 48.78810  ? 83  TYR   A CE1  1 
ATOM   984  C  CE2  . TYR   A 1 83  ? -10.07039 -22.61159 18.76986  1.000 47.89661  ? 83  TYR   A CE2  1 
ATOM   985  C  CZ   . TYR   A 1 83  ? -10.28203 -23.35699 19.90351  1.000 49.43328  ? 83  TYR   A CZ   1 
ATOM   986  O  OH   . TYR   A 1 83  ? -10.64072 -24.69015 19.79758  1.000 51.21490  ? 83  TYR   A OH   1 
ATOM   987  H  H    . TYR   A 1 83  ? -11.14665 -18.39217 18.71886  1.000 41.66496  ? 83  TYR   A H    1 
ATOM   988  H  HA   . TYR   A 1 83  ? -10.75902 -18.58445 21.39448  1.000 37.54784  ? 83  TYR   A HA   1 
ATOM   989  H  HB2  . TYR   A 1 83  ? -8.76724  -18.97449 19.41335  1.000 40.15420  ? 83  TYR   A HB2  1 
ATOM   990  H  HB3  . TYR   A 1 83  ? -8.54558  -19.16349 20.97558  1.000 40.15420  ? 83  TYR   A HB3  1 
ATOM   991  H  HD1  . TYR   A 1 83  ? -9.66423  -21.07957 22.09119  1.000 53.72278  ? 83  TYR   A HD1  1 
ATOM   992  H  HD2  . TYR   A 1 83  ? -9.56722  -20.78568 18.10968  1.000 51.82930  ? 83  TYR   A HD2  1 
ATOM   993  H  HE1  . TYR   A 1 83  ? -10.25924 -23.30502 21.90561  1.000 58.54572  ? 83  TYR   A HE1  1 
ATOM   994  H  HE2  . TYR   A 1 83  ? -10.17104 -22.99965 17.93071  1.000 57.47593  ? 83  TYR   A HE2  1 
ATOM   995  H  HH   . TYR   A 1 83  ? -10.63753 -24.92532 18.99118  0.000 61.45788  ? 83  TYR   A HH   1 
ATOM   996  N  N    . ARG   A 1 84  ? -10.06741 -16.12228 19.55769  1.000 35.96744  ? 84  ARG   A N    1 
ATOM   997  C  CA   . ARG   A 1 84  ? -9.51042  -14.78175 19.45644  1.000 40.67139  ? 84  ARG   A CA   1 
ATOM   998  C  C    . ARG   A 1 84  ? -10.47778 -13.90339 18.66944  1.000 35.81330  ? 84  ARG   A C    1 
ATOM   999  O  O    . ARG   A 1 84  ? -11.14097 -14.36787 17.73337  1.000 38.15150  ? 84  ARG   A O    1 
ATOM   1000 C  CB   . ARG   A 1 84  ? -8.15731  -14.76571 18.72124  1.000 49.94203  ? 84  ARG   A CB   1 
ATOM   1001 C  CG   . ARG   A 1 84  ? -7.15837  -15.78455 19.17180  1.000 65.10204  ? 84  ARG   A CG   1 
ATOM   1002 C  CD   . ARG   A 1 84  ? -6.48264  -15.39042 20.47145  1.000 79.91265  ? 84  ARG   A CD   1 
ATOM   1003 N  NE   . ARG   A 1 84  ? -5.23379  -16.09831 20.71909  1.000 90.55209  ? 84  ARG   A NE   1 
ATOM   1004 C  CZ   . ARG   A 1 84  ? -4.02874  -15.59563 20.48829  1.000 95.94810  ? 84  ARG   A CZ   1 
ATOM   1005 N  NH1  . ARG   A 1 84  ? -3.85714  -14.33809 20.07861  1.000 98.24208  ? 84  ARG   A NH1  1 
ATOM   1006 N  NH2  . ARG   A 1 84  ? -2.96567  -16.32561 20.78909  1.000 96.67243  ? 84  ARG   A NH2  1 
ATOM   1007 H  H    . ARG   A 1 84  ? -10.51583 -16.34990 18.86004  1.000 43.16093  ? 84  ARG   A H    1 
ATOM   1008 H  HA   . ARG   A 1 84  ? -9.39300  -14.43293 20.35390  1.000 48.80566  ? 84  ARG   A HA   1 
ATOM   1009 H  HB2  . ARG   A 1 84  ? -8.32213  -14.92246 17.77829  1.000 59.93044  ? 84  ARG   A HB2  1 
ATOM   1010 H  HB3  . ARG   A 1 84  ? -7.75374  -13.89264 18.84684  1.000 59.93044  ? 84  ARG   A HB3  1 
ATOM   1011 H  HG2  . ARG   A 1 84  ? -7.60872  -16.63233 19.31088  1.000 78.12245  ? 84  ARG   A HG2  1 
ATOM   1012 H  HG3  . ARG   A 1 84  ? -6.47282  -15.88061 18.49232  1.000 78.12245  ? 84  ARG   A HG3  1 
ATOM   1013 H  HD2  . ARG   A 1 84  ? -6.28466  -14.44119 20.44576  1.000 95.89518  ? 84  ARG   A HD2  1 
ATOM   1014 H  HD3  . ARG   A 1 84  ? -7.08363  -15.58415 21.20778  1.000 95.89518  ? 84  ARG   A HD3  1 
ATOM   1015 H  HE   . ARG   A 1 84  ? -5.28133  -16.89620 21.03643  1.000 108.66251 ? 84  ARG   A HE   1 
ATOM   1016 H  HH11 . ARG   A 1 84  ? -4.53922  -13.82861 19.95697  1.000 117.89049 ? 84  ARG   A HH11 1 
ATOM   1017 H  HH12 . ARG   A 1 84  ? -3.06440  -14.03666 19.93609  1.000 117.89049 ? 84  ARG   A HH12 1 
ATOM   1018 H  HH21 . ARG   A 1 84  ? -3.06445  -17.11004 21.12747  1.000 116.00692 ? 84  ARG   A HH21 1 
ATOM   1019 H  HH22 . ARG   A 1 84  ? -2.17648  -16.01527 20.64605  1.000 116.00692 ? 84  ARG   A HH22 1 
ATOM   1020 N  N    . ASN   A 1 85  ? -10.54075 -12.62727 19.02539  1.000 33.37092  ? 85  ASN   A N    1 
ATOM   1021 C  CA   . ASN   A 1 85  ? -11.09539 -11.62349 18.11945  1.000 32.80254  ? 85  ASN   A CA   1 
ATOM   1022 C  C    . ASN   A 1 85  ? -10.15516 -10.42497 18.12482  1.000 30.31574  ? 85  ASN   A C    1 
ATOM   1023 O  O    . ASN   A 1 85  ? -10.06292 -9.68044  19.10693  1.000 34.34618  ? 85  ASN   A O    1 
ATOM   1024 C  CB   . ASN   A 1 85  ? -12.52123 -11.22033 18.47949  1.000 36.59810  ? 85  ASN   A CB   1 
ATOM   1025 C  CG   . ASN   A 1 85  ? -13.19361 -10.45919 17.35349  1.000 36.01806  ? 85  ASN   A CG   1 
ATOM   1026 O  OD1  . ASN   A 1 85  ? -12.51666 -9.98582  16.43675  1.000 34.73429  ? 85  ASN   A OD1  1 
ATOM   1027 N  ND2  . ASN   A 1 85  ? -14.51265 -10.31783 17.41798  1.000 37.56924  ? 85  ASN   A ND2  1 
ATOM   1028 H  H    . ASN   A 1 85  ? -10.27101 -12.31756 19.78098  1.000 40.04511  ? 85  ASN   A H    1 
ATOM   1029 H  HA   . ASN   A 1 85  ? -11.12794 -11.99402 17.22360  1.000 39.36305  ? 85  ASN   A HA   1 
ATOM   1030 H  HB2  . ASN   A 1 85  ? -13.04272 -12.01784 18.66095  1.000 43.91773  ? 85  ASN   A HB2  1 
ATOM   1031 H  HB3  . ASN   A 1 85  ? -12.50369 -10.64983 19.26379  1.000 43.91773  ? 85  ASN   A HB3  1 
ATOM   1032 H  HD21 . ASN   A 1 85  ? -14.94907 -10.65173 18.07953  0.000 45.08309  ? 85  ASN   A HD21 1 
ATOM   1033 H  HD22 . ASN   A 1 85  ? -14.93033 -9.89239  16.79819  0.000 45.08309  ? 85  ASN   A HD22 1 
ATOM   1034 N  N    . ALA   A 1 86  ? -9.45678  -10.23291 17.03177  1.000 29.59018  ? 86  ALA   A N    1 
ATOM   1035 C  CA   . ALA   A 1 86  ? -8.56065  -9.09809  16.92528  1.000 27.88932  ? 86  ALA   A CA   1 
ATOM   1036 C  C    . ALA   A 1 86  ? -9.24449  -7.87101  16.35150  1.000 30.34015  ? 86  ALA   A C    1 
ATOM   1037 O  O    . ALA   A 1 86  ? -8.59079  -6.83156  16.19498  1.000 33.23885  ? 86  ALA   A O    1 
ATOM   1038 C  CB   . ALA   A 1 86  ? -7.35030  -9.46760  16.07292  1.000 34.24231  ? 86  ALA   A CB   1 
ATOM   1039 H  H    . ALA   A 1 86  ? -9.48125  -10.74113 16.33844  1.000 35.50822  ? 86  ALA   A H    1 
ATOM   1040 H  HA   . ALA   A 1 86  ? -8.23475  -8.86790  17.80943  1.000 33.46719  ? 86  ALA   A HA   1 
ATOM   1041 H  HB1  . ALA   A 1 86  ? -6.81735  -8.67180  15.91941  1.000 41.09077  ? 86  ALA   A HB1  1 
ATOM   1042 H  HB2  . ALA   A 1 86  ? -6.82380  -10.13260 16.54353  1.000 41.09077  ? 86  ALA   A HB2  1 
ATOM   1043 H  HB3  . ALA   A 1 86  ? -7.65820  -9.82784  15.22657  1.000 41.09077  ? 86  ALA   A HB3  1 
ATOM   1044 N  N    . HIS   A 1 87  ? -10.53330 -7.96373  16.04662  1.000 30.38799  ? 87  HIS   A N    1 
ATOM   1045 C  CA   . HIS   A 1 87  ? -11.29125 -6.84147  15.50134  1.000 33.08451  ? 87  HIS   A CA   1 
ATOM   1046 C  C    . HIS   A 1 87  ? -10.55473 -6.25111  14.31881  1.000 31.34046  ? 87  HIS   A C    1 
ATOM   1047 O  O    . HIS   A 1 87  ? -10.35629 -5.04156  14.21750  1.000 34.69573  ? 87  HIS   A O    1 
ATOM   1048 C  CB   . HIS   A 1 87  ? -11.54488 -5.77985  16.56140  1.000 33.42490  ? 87  HIS   A CB   1 
ATOM   1049 C  CG   . HIS   A 1 87  ? -12.22523 -6.30460  17.78417  1.000 39.57545  ? 87  HIS   A CG   1 
ATOM   1050 N  ND1  . HIS   A 1 87  ? -13.45306 -6.93434  17.74609  1.000 37.97364  ? 87  HIS   A ND1  1 
ATOM   1051 C  CD2  . HIS   A 1 87  ? -11.84285 -6.30035  19.08030  1.000 46.41687  ? 87  HIS   A CD2  1 
ATOM   1052 C  CE1  . HIS   A 1 87  ? -13.80531 -7.27819  18.97386  1.000 47.52045  ? 87  HIS   A CE1  1 
ATOM   1053 N  NE2  . HIS   A 1 87  ? -12.84817 -6.89956  19.80308  1.000 51.57872  ? 87  HIS   A NE2  1 
ATOM   1054 H  H    . HIS   A 1 87  ? -11.00055 -8.67857  16.14796  1.000 36.46559  ? 87  HIS   A H    1 
ATOM   1055 H  HA   . HIS   A 1 87  ? -12.15451 -7.16543  15.20011  1.000 39.70141  ? 87  HIS   A HA   1 
ATOM   1056 H  HB2  . HIS   A 1 87  ? -10.69441 -5.40165  16.83445  1.000 40.10988  ? 87  HIS   A HB2  1 
ATOM   1057 H  HB3  . HIS   A 1 87  ? -12.10907 -5.08806  16.18191  1.000 40.10988  ? 87  HIS   A HB3  1 
ATOM   1058 H  HD2  . HIS   A 1 87  ? -11.04838 -5.95652  19.42015  1.000 55.70024  ? 87  HIS   A HD2  1 
ATOM   1059 H  HE1  . HIS   A 1 87  ? -14.59225 -7.71234  19.21288  1.000 57.02454  ? 87  HIS   A HE1  1 
ATOM   1060 H  HE2  . HIS   A 1 87  ? -12.85314 -7.00990  20.65596  0.000 61.89447  ? 87  HIS   A HE2  1 
ATOM   1061 N  N    . SER   A 1 88  ? -10.15004 -7.12840  13.41453  1.000 29.09115  ? 88  SER   A N    1 
ATOM   1062 C  CA   . SER   A 1 88  ? -9.36050  -6.70875  12.27178  1.000 32.67496  ? 88  SER   A CA   1 
ATOM   1063 C  C    . SER   A 1 88  ? -9.49990  -7.75269  11.17873  1.000 29.22060  ? 88  SER   A C    1 
ATOM   1064 O  O    . SER   A 1 88  ? -10.01971 -8.84872  11.38980  1.000 30.61311  ? 88  SER   A O    1 
ATOM   1065 C  CB   . SER   A 1 88  ? -7.89532  -6.46469  12.65859  1.000 40.69265  ? 88  SER   A CB   1 
ATOM   1066 O  OG   . SER   A 1 88  ? -7.34011  -7.55959  13.30883  1.000 45.90451  ? 88  SER   A OG   1 
ATOM   1067 H  H    . SER   A 1 88  ? -10.31988 -7.97105  13.44095  1.000 34.90938  ? 88  SER   A H    1 
ATOM   1068 H  HA   . SER   A 1 88  ? -9.71167  -5.87410  11.92403  1.000 39.20996  ? 88  SER   A HA   1 
ATOM   1069 H  HB2  . SER   A 1 88  ? -7.38542  -6.29021  11.85208  1.000 48.83118  ? 88  SER   A HB2  1 
ATOM   1070 H  HB3  . SER   A 1 88  ? -7.85332  -5.69715  13.25021  1.000 48.83118  ? 88  SER   A HB3  1 
ATOM   1071 H  HG   . SER   A 1 88  ? -6.64574  -7.32746  13.72060  0.000 55.08541  ? 88  SER   A HG   1 
ATOM   1072 N  N    . ALA   A 1 89  ? -9.09623  -7.35430  9.97945   1.000 26.92297  ? 89  ALA   A N    1 
ATOM   1073 C  CA   . ALA   A 1 89  ? -9.19770  -8.18658  8.79383   1.000 31.47792  ? 89  ALA   A CA   1 
ATOM   1074 C  C    . ALA   A 1 89  ? -8.00277  -7.90530  7.90876   1.000 29.22494  ? 89  ALA   A C    1 
ATOM   1075 O  O    . ALA   A 1 89  ? -7.57520  -6.75063  7.77426   1.000 28.42546  ? 89  ALA   A O    1 
ATOM   1076 C  CB   . ALA   A 1 89  ? -10.48647 -7.91327  8.01640   1.000 31.68904  ? 89  ALA   A CB   1 
ATOM   1077 H  H    . ALA   A 1 89  ? -8.75000  -6.58251  9.82433   1.000 32.30756  ? 89  ALA   A H    1 
ATOM   1078 H  HA   . ALA   A 1 89  ? -9.19494  -9.12253  9.04858   1.000 37.77351  ? 89  ALA   A HA   1 
ATOM   1079 H  HB1  . ALA   A 1 89  ? -10.50616 -8.47906  7.22875   1.000 38.02685  ? 89  ALA   A HB1  1 
ATOM   1080 H  HB2  . ALA   A 1 89  ? -11.24661 -8.11175  8.58534   1.000 38.02685  ? 89  ALA   A HB2  1 
ATOM   1081 H  HB3  . ALA   A 1 89  ? -10.50482 -6.97972  7.75362   1.000 38.02685  ? 89  ALA   A HB3  1 
ATOM   1082 N  N    . THR   A 1 90  ? -7.49005  -8.94954  7.26440   1.000 25.93911  ? 90  THR   A N    1 
ATOM   1083 C  CA   . THR   A 1 90  ? -6.40304  -8.82129  6.31234   1.000 23.78323  ? 90  THR   A CA   1 
ATOM   1084 C  C    . THR   A 1 90  ? -6.89646  -9.31661  4.96269   1.000 25.89448  ? 90  THR   A C    1 
ATOM   1085 O  O    . THR   A 1 90  ? -7.60501  -10.33750 4.88409   1.000 25.83328  ? 90  THR   A O    1 
ATOM   1086 C  CB   . THR   A 1 90  ? -5.15692  -9.65923  6.70094   1.000 25.34181  ? 90  THR   A CB   1 
ATOM   1087 O  OG1  . THR   A 1 90  ? -4.60517  -9.24549  7.96194   1.000 27.18963  ? 90  THR   A OG1  1 
ATOM   1088 C  CG2  . THR   A 1 90  ? -4.09620  -9.57647  5.62829   1.000 30.09036  ? 90  THR   A CG2  1 
ATOM   1089 H  H    . THR   A 1 90  ? -7.76450  -9.75802  7.36759   1.000 31.12693  ? 90  THR   A H    1 
ATOM   1090 H  HA   . THR   A 1 90  ? -6.13456  -7.89012  6.27055   1.000 28.53988  ? 90  THR   A HA   1 
ATOM   1091 H  HB   . THR   A 1 90  ? -5.43697  -10.58363 6.79009   1.000 30.41017  ? 90  THR   A HB   1 
ATOM   1092 H  HG1  . THR   A 1 90  ? -3.91175  -9.68832  8.13128   0.000 32.62755  ? 90  THR   A HG1  1 
ATOM   1093 H  HG21 . THR   A 1 90  ? -3.24891  -9.89810  5.97407   1.000 36.10843  ? 90  THR   A HG21 1 
ATOM   1094 H  HG22 . THR   A 1 90  ? -3.98911  -8.65720  5.33784   1.000 36.10843  ? 90  THR   A HG22 1 
ATOM   1095 H  HG23 . THR   A 1 90  ? -4.35181  -10.11961 4.86635   1.000 36.10843  ? 90  THR   A HG23 1 
ATOM   1096 N  N    . THR   A 1 91  ? -6.50395  -8.61248  3.91081   1.000 27.19886  ? 91  THR   A N    1 
ATOM   1097 C  CA   . THR   A 1 91  ? -6.74260  -9.03733  2.53948   1.000 26.32098  ? 91  THR   A CA   1 
ATOM   1098 C  C    . THR   A 1 91  ? -5.39731  -9.19029  1.86788   1.000 27.75460  ? 91  THR   A C    1 
ATOM   1099 O  O    . THR   A 1 91  ? -4.53267  -8.30621  1.98871   1.000 29.22992  ? 91  THR   A O    1 
ATOM   1100 C  CB   . THR   A 1 91  ? -7.59684  -8.07167  1.71349   1.000 27.54448  ? 91  THR   A CB   1 
ATOM   1101 O  OG1  . THR   A 1 91  ? -6.94223  -6.80931  1.55097   1.000 29.88428  ? 91  THR   A OG1  1 
ATOM   1102 C  CG2  . THR   A 1 91  ? -8.95457  -7.88178  2.35243   1.000 29.61415  ? 91  THR   A CG2  1 
ATOM   1103 H  H    . THR   A 1 91  ? -6.08533  -7.86342  3.96787   1.000 32.63864  ? 91  THR   A H    1 
ATOM   1104 H  HA   . THR   A 1 91  ? -7.22826  -9.87645  2.56979   1.000 31.58518  ? 91  THR   A HA   1 
ATOM   1105 H  HB   . THR   A 1 91  ? -7.72795  -8.45085  0.83035   1.000 33.05337  ? 91  THR   A HB   1 
ATOM   1106 H  HG1  . THR   A 1 91  ? -7.45035  -6.27124  1.15363   0.000 35.86114  ? 91  THR   A HG1  1 
ATOM   1107 H  HG21 . THR   A 1 91  ? -9.51333  -7.32729  1.78566   1.000 35.53698  ? 91  THR   A HG21 1 
ATOM   1108 H  HG22 . THR   A 1 91  ? -8.85742  -7.45152  3.21634   1.000 35.53698  ? 91  THR   A HG22 1 
ATOM   1109 H  HG23 . THR   A 1 91  ? -9.38637  -8.74157  2.47574   1.000 35.53698  ? 91  THR   A HG23 1 
ATOM   1110 N  N    . TRP   A 1 92  ? -5.23005  -10.30043 1.16930   1.000 27.93965  ? 92  TRP   A N    1 
ATOM   1111 C  CA   . TRP   A 1 92  ? -4.07408  -10.55380 0.33823   1.000 27.27254  ? 92  TRP   A CA   1 
ATOM   1112 C  C    . TRP   A 1 92  ? -4.47818  -10.44329 -1.12333  1.000 26.94768  ? 92  TRP   A C    1 
ATOM   1113 O  O    . TRP   A 1 92  ? -5.50016  -10.99902 -1.54065  1.000 28.04728  ? 92  TRP   A O    1 
ATOM   1114 C  CB   . TRP   A 1 92  ? -3.50793  -11.94500 0.56885   1.000 25.24245  ? 92  TRP   A CB   1 
ATOM   1115 C  CG   . TRP   A 1 92  ? -2.86375  -12.21003 1.85737   1.000 27.28131  ? 92  TRP   A CG   1 
ATOM   1116 C  CD1  . TRP   A 1 92  ? -1.52173  -12.28103 2.08714   1.000 28.65552  ? 92  TRP   A CD1  1 
ATOM   1117 C  CD2  . TRP   A 1 92  ? -3.50652  -12.51304 3.09684   1.000 25.34223  ? 92  TRP   A CD2  1 
ATOM   1118 N  NE1  . TRP   A 1 92  ? -1.28804  -12.59478 3.39478   1.000 27.29496  ? 92  TRP   A NE1  1 
ATOM   1119 C  CE2  . TRP   A 1 92  ? -2.49385  -12.76543 4.03199   1.000 26.51249  ? 92  TRP   A CE2  1 
ATOM   1120 C  CE3  . TRP   A 1 92  ? -4.84943  -12.61202 3.50415   1.000 27.14928  ? 92  TRP   A CE3  1 
ATOM   1121 C  CZ2  . TRP   A 1 92  ? -2.77150  -13.07338 5.35966   1.000 28.71630  ? 92  TRP   A CZ2  1 
ATOM   1122 C  CZ3  . TRP   A 1 92  ? -5.12657  -12.94750 4.81422   1.000 27.82748  ? 92  TRP   A CZ3  1 
ATOM   1123 C  CH2  . TRP   A 1 92  ? -4.09088  -13.17944 5.72585   1.000 28.94744  ? 92  TRP   A CH2  1 
ATOM   1124 H  H    . TRP   A 1 92  ? -5.79772  -10.94642 1.16237   1.000 33.52758  ? 92  TRP   A H    1 
ATOM   1125 H  HA   . TRP   A 1 92  ? -3.38775  -9.90102  0.54738   1.000 32.72704  ? 92  TRP   A HA   1 
ATOM   1126 H  HB2  . TRP   A 1 92  ? -4.23650  -12.57984 0.48481   1.000 30.29094  ? 92  TRP   A HB2  1 
ATOM   1127 H  HB3  . TRP   A 1 92  ? -2.84179  -12.11190 -0.11621  1.000 30.29094  ? 92  TRP   A HB3  1 
ATOM   1128 H  HD1  . TRP   A 1 92  ? -0.86257  -12.13689 1.44712   1.000 34.38663  ? 92  TRP   A HD1  1 
ATOM   1129 H  HE1  . TRP   A 1 92  ? -0.51340  -12.67288 3.76007   1.000 32.75395  ? 92  TRP   A HE1  1 
ATOM   1130 H  HE3  . TRP   A 1 92  ? -5.53919  -12.45403 2.90070   1.000 32.57914  ? 92  TRP   A HE3  1 
ATOM   1131 H  HZ2  . TRP   A 1 92  ? -2.08827  -13.20281 5.97719   1.000 34.45955  ? 92  TRP   A HZ2  1 
ATOM   1132 H  HZ3  . TRP   A 1 92  ? -6.01062  -13.02008 5.09365   1.000 33.39298  ? 92  TRP   A HZ3  1 
ATOM   1133 H  HH2  . TRP   A 1 92  ? -4.30114  -13.41120 6.60162   1.000 34.73692  ? 92  TRP   A HH2  1 
ATOM   1134 N  N    . SER   A 1 93  ? -3.66042  -9.72808  -1.89064  1.000 28.58607  ? 93  SER   A N    1 
ATOM   1135 C  CA   . SER   A 1 93  ? -3.81221  -9.56088  -3.33091  1.000 27.06149  ? 93  SER   A CA   1 
ATOM   1136 C  C    . SER   A 1 93  ? -2.51463  -9.98259  -3.99366  1.000 27.37217  ? 93  SER   A C    1 
ATOM   1137 O  O    . SER   A 1 93  ? -1.44775  -9.47534  -3.63618  1.000 30.68146  ? 93  SER   A O    1 
ATOM   1138 C  CB   . SER   A 1 93  ? -4.12598  -8.09735  -3.63859  1.000 29.70054  ? 93  SER   A CB   1 
ATOM   1139 O  OG   . SER   A 1 93  ? -4.26651  -7.88516  -5.01110  1.000 33.17484  ? 93  SER   A OG   1 
ATOM   1140 H  H    . SER   A 1 93  ? -2.97530  -9.30901  -1.58307  1.000 34.30328  ? 93  SER   A H    1 
ATOM   1141 H  HA   . SER   A 1 93  ? -4.52498  -10.11714 -3.68224  1.000 32.47378  ? 93  SER   A HA   1 
ATOM   1142 H  HB2  . SER   A 1 93  ? -4.95494  -7.85475  -3.19717  1.000 35.64064  ? 93  SER   A HB2  1 
ATOM   1143 H  HB3  . SER   A 1 93  ? -3.40028  -7.54484  -3.30845  1.000 35.64064  ? 93  SER   A HB3  1 
ATOM   1144 H  HG   . SER   A 1 93  ? -4.51872  -7.09707  -5.15563  0.000 39.80981  ? 93  SER   A HG   1 
ATOM   1145 N  N    . GLY   A 1 94  ? -2.58743  -10.85760 -4.97799  1.000 27.78072  ? 94  GLY   A N    1 
ATOM   1146 C  CA   . GLY   A 1 94  ? -1.36566  -11.34558 -5.57680  1.000 26.09807  ? 94  GLY   A CA   1 
ATOM   1147 C  C    . GLY   A 1 94  ? -1.62581  -12.21602 -6.76903  1.000 26.27908  ? 94  GLY   A C    1 
ATOM   1148 O  O    . GLY   A 1 94  ? -2.67516  -12.12663 -7.40690  1.000 31.50663  ? 94  GLY   A O    1 
ATOM   1149 H  H    . GLY   A 1 94  ? -3.31424  -11.17652 -5.30910  1.000 33.33687  ? 94  GLY   A H    1 
ATOM   1150 H  HA2  . GLY   A 1 94  ? -0.82315  -10.59300 -5.85999  1.000 31.31768  ? 94  GLY   A HA2  1 
ATOM   1151 H  HA3  . GLY   A 1 94  ? -0.87086  -11.86304 -4.92234  1.000 31.31768  ? 94  GLY   A HA3  1 
ATOM   1152 N  N    . GLN   A 1 95  ? -0.60923  -12.99600 -7.11347  1.000 27.63275  ? 95  GLN   A N    1 
ATOM   1153 C  CA   . GLN   A 1 95  ? -0.73560  -13.89157 -8.24140  1.000 26.62839  ? 95  GLN   A CA   1 
ATOM   1154 C  C    . GLN   A 1 95  ? 0.00376   -15.17943 -7.96407  1.000 30.13302  ? 95  GLN   A C    1 
ATOM   1155 O  O    . GLN   A 1 95  ? 1.03811   -15.20153 -7.27772  1.000 31.97171  ? 95  GLN   A O    1 
ATOM   1156 C  CB   . GLN   A 1 95  ? -0.22242  -13.26297 -9.52697  1.000 34.28585  ? 95  GLN   A CB   1 
ATOM   1157 C  CG   . GLN   A 1 95  ? 1.17002   -12.81558 -9.47834  1.000 31.07639  ? 95  GLN   A CG   1 
ATOM   1158 C  CD   . GLN   A 1 95  ? 1.56469   -12.15615 -10.76230 1.000 38.23236  ? 95  GLN   A CD   1 
ATOM   1159 O  OE1  . GLN   A 1 95  ? 1.22346   -12.63125 -11.83414 1.000 35.58595  ? 95  GLN   A OE1  1 
ATOM   1160 N  NE2  . GLN   A 1 95  ? 2.28795   -11.05404 -10.66453 1.000 43.97309  ? 95  GLN   A NE2  1 
ATOM   1161 H  H    . GLN   A 1 95  ? 0.15102   -13.02077 -6.71222  1.000 33.15930  ? 95  GLN   A H    1 
ATOM   1162 H  HA   . GLN   A 1 95  ? -1.67397  -14.10738 -8.35881  1.000 31.95407  ? 95  GLN   A HA   1 
ATOM   1163 H  HB2  . GLN   A 1 95  ? -0.29378  -13.91742 -10.23936 1.000 41.14302  ? 95  GLN   A HB2  1 
ATOM   1164 H  HB3  . GLN   A 1 95  ? -0.77044  -12.48912 -9.73125  1.000 41.14302  ? 95  GLN   A HB3  1 
ATOM   1165 H  HG2  . GLN   A 1 95  ? 1.27876   -12.17553 -8.75764  1.000 37.29166  ? 95  GLN   A HG2  1 
ATOM   1166 H  HG3  . GLN   A 1 95  ? 1.75000   -13.57955 -9.33389  1.000 37.29166  ? 95  GLN   A HG3  1 
ATOM   1167 H  HE21 . GLN   A 1 95  ? 2.50784   -10.75129 -9.89020  0.000 52.76771  ? 95  GLN   A HE21 1 
ATOM   1168 H  HE22 . GLN   A 1 95  ? 2.53862   -10.63976 -11.37526 0.000 52.76771  ? 95  GLN   A HE22 1 
ATOM   1169 N  N    . TYR   A 1 96  ? -0.58448  -16.24960 -8.47825  1.000 31.55537  ? 96  TYR   A N    1 
ATOM   1170 C  CA   . TYR   A 1 96  ? -0.01250  -17.58850 -8.45824  1.000 30.63916  ? 96  TYR   A CA   1 
ATOM   1171 C  C    . TYR   A 1 96  ? 0.87682   -17.78467 -9.67373  1.000 32.67683  ? 96  TYR   A C    1 
ATOM   1172 O  O    . TYR   A 1 96  ? 0.46312   -17.51187 -10.80549 1.000 32.40604  ? 96  TYR   A O    1 
ATOM   1173 C  CB   . TYR   A 1 96  ? -1.13591  -18.63037 -8.44603  1.000 28.80102  ? 96  TYR   A CB   1 
ATOM   1174 C  CG   . TYR   A 1 96  ? -0.73509  -19.99596 -8.89451  1.000 29.98063  ? 96  TYR   A CG   1 
ATOM   1175 C  CD1  . TYR   A 1 96  ? -0.21510  -20.90762 -8.00262  1.000 35.11771  ? 96  TYR   A CD1  1 
ATOM   1176 C  CD2  . TYR   A 1 96  ? -0.89574  -20.39799 -10.20781 1.000 38.51631  ? 96  TYR   A CD2  1 
ATOM   1177 C  CE1  . TYR   A 1 96  ? 0.16419   -22.16962 -8.41308  1.000 37.98084  ? 96  TYR   A CE1  1 
ATOM   1178 C  CE2  . TYR   A 1 96  ? -0.51329  -21.67807 -10.61849 1.000 40.82180  ? 96  TYR   A CE2  1 
ATOM   1179 C  CZ   . TYR   A 1 96  ? -0.00053  -22.55709 -9.71102  1.000 35.80917  ? 96  TYR   A CZ   1 
ATOM   1180 O  OH   . TYR   A 1 96  ? 0.38385   -23.83282 -10.05669 1.000 41.67838  ? 96  TYR   A OH   1 
ATOM   1181 H  H    . TYR   A 1 96  ? -1.35311  -16.22587 -8.86328  1.000 37.86644  ? 96  TYR   A H    1 
ATOM   1182 H  HA   . TYR   A 1 96  ? 0.53236   -17.70636 -7.66442  1.000 36.76700  ? 96  TYR   A HA   1 
ATOM   1183 H  HB2  . TYR   A 1 96  ? -1.47172  -18.70906 -7.53942  1.000 34.56123  ? 96  TYR   A HB2  1 
ATOM   1184 H  HB3  . TYR   A 1 96  ? -1.84291  -18.32636 -9.03647  1.000 34.56123  ? 96  TYR   A HB3  1 
ATOM   1185 H  HD1  . TYR   A 1 96  ? -0.11795  -20.66890 -7.10904  1.000 42.14125  ? 96  TYR   A HD1  1 
ATOM   1186 H  HD2  . TYR   A 1 96  ? -1.26326  -19.80859 -10.82622 1.000 46.21957  ? 96  TYR   A HD2  1 
ATOM   1187 H  HE1  . TYR   A 1 96  ? 0.53551   -22.76144 -7.79926  1.000 45.57700  ? 96  TYR   A HE1  1 
ATOM   1188 H  HE2  . TYR   A 1 96  ? -0.60834  -21.92970 -11.50874 1.000 48.98616  ? 96  TYR   A HE2  1 
ATOM   1189 H  HH   . TYR   A 1 96  ? 0.25016   -23.96109 -10.87601 0.000 50.01406  ? 96  TYR   A HH   1 
ATOM   1190 N  N    . VAL   A 1 97  ? 2.08393   -18.28748 -9.43123  1.000 36.09914  ? 97  VAL   A N    1 
ATOM   1191 C  CA   . VAL   A 1 97  ? 3.06257   -18.57699 -10.46154 1.000 36.32258  ? 97  VAL   A CA   1 
ATOM   1192 C  C    . VAL   A 1 97  ? 3.35385   -20.06142 -10.35126 1.000 39.93208  ? 97  VAL   A C    1 
ATOM   1193 O  O    . VAL   A 1 97  ? 3.88570   -20.52361 -9.33492  1.000 42.16550  ? 97  VAL   A O    1 
ATOM   1194 C  CB   . VAL   A 1 97  ? 4.33534   -17.74159 -10.28768 1.000 42.48072  ? 97  VAL   A CB   1 
ATOM   1195 C  CG1  . VAL   A 1 97  ? 5.17978   -17.85308 -11.51826 1.000 48.09031  ? 97  VAL   A CG1  1 
ATOM   1196 C  CG2  . VAL   A 1 97  ? 3.96713   -16.26642 -9.99334  1.000 45.33514  ? 97  VAL   A CG2  1 
ATOM   1197 H  H    . VAL   A 1 97  ? 2.36647   -18.47578 -8.64109  1.000 43.31897  ? 97  VAL   A H    1 
ATOM   1198 H  HA   . VAL   A 1 97  ? 2.70040   -18.38796 -11.34131 1.000 43.58710  ? 97  VAL   A HA   1 
ATOM   1199 H  HB   . VAL   A 1 97  ? 4.84941   -18.07348 -9.53503  1.000 50.97686  ? 97  VAL   A HB   1 
ATOM   1200 H  HG11 . VAL   A 1 97  ? 5.41837   -18.78339 -11.65431 1.000 57.70838  ? 97  VAL   A HG11 1 
ATOM   1201 H  HG12 . VAL   A 1 97  ? 5.98144   -17.31981 -11.40054 1.000 57.70838  ? 97  VAL   A HG12 1 
ATOM   1202 H  HG13 . VAL   A 1 97  ? 4.67408   -17.52664 -12.27892 1.000 57.70838  ? 97  VAL   A HG13 1 
ATOM   1203 H  HG21 . VAL   A 1 97  ? 3.44620   -15.91726 -10.73336 1.000 54.40217  ? 97  VAL   A HG21 1 
ATOM   1204 H  HG22 . VAL   A 1 97  ? 4.78290   -15.75166 -9.89114  1.000 54.40217  ? 97  VAL   A HG22 1 
ATOM   1205 H  HG23 . VAL   A 1 97  ? 3.44703   -16.22790 -9.17547  1.000 54.40217  ? 97  VAL   A HG23 1 
ATOM   1206 N  N    . GLY   A 1 98  ? 2.98219   -20.81630 -11.37099 1.000 44.78947  ? 98  GLY   A N    1 
ATOM   1207 C  CA   . GLY   A 1 98  ? 3.13336   -22.24563 -11.31472 1.000 45.93410  ? 98  GLY   A CA   1 
ATOM   1208 C  C    . GLY   A 1 98  ? 4.55765   -22.67781 -11.57918 1.000 52.01982  ? 98  GLY   A C    1 
ATOM   1209 O  O    . GLY   A 1 98  ? 5.45826   -21.86828 -11.79581 1.000 53.05875  ? 98  GLY   A O    1 
ATOM   1210 H  H    . GLY   A 1 98  ? 2.64111   -20.51931 -12.10247 1.000 53.74737  ? 98  GLY   A H    1 
ATOM   1211 H  HA2  . GLY   A 1 98  ? 2.87473   -22.56251 -10.43518 1.000 55.12091  ? 98  GLY   A HA2  1 
ATOM   1212 H  HA3  . GLY   A 1 98  ? 2.55934   -22.65668 -11.97988 1.000 55.12091  ? 98  GLY   A HA3  1 
ATOM   1213 N  N    . GLY   A 1 99  ? 4.75988   -23.98759 -11.53647 1.000 56.18519  ? 99  GLY   A N    1 
ATOM   1214 C  CA   . GLY   A 1 99  ? 6.00914   -24.59567 -11.94901 1.000 56.79304  ? 99  GLY   A CA   1 
ATOM   1215 C  C    . GLY   A 1 99  ? 6.70272   -25.29505 -10.80456 1.000 61.63743  ? 99  GLY   A C    1 
ATOM   1216 O  O    . GLY   A 1 99  ? 6.14048   -25.49946 -9.72434  1.000 60.62547  ? 99  GLY   A O    1 
ATOM   1217 H  H    . GLY   A 1 99  ? 4.17270   -24.55450 -11.26549 1.000 67.42222  ? 99  GLY   A H    1 
ATOM   1218 H  HA2  . GLY   A 1 99  ? 5.83635   -25.24654 -12.64716 1.000 68.15164  ? 99  GLY   A HA2  1 
ATOM   1219 H  HA3  . GLY   A 1 99  ? 6.60258   -23.91102 -12.29539 1.000 68.15164  ? 99  GLY   A HA3  1 
ATOM   1220 N  N    . ALA   A 1 100 ? 7.95020   -25.69387 -11.07215 1.000 65.28884  ? 100 ALA   A N    1 
ATOM   1221 C  CA   . ALA   A 1 100 ? 8.69592   -26.52438 -10.13110 1.000 72.41949  ? 100 ALA   A CA   1 
ATOM   1222 C  C    . ALA   A 1 100 ? 8.83383   -25.84117 -8.78136  1.000 77.64549  ? 100 ALA   A C    1 
ATOM   1223 O  O    . ALA   A 1 100 ? 8.75183   -26.49895 -7.73483  1.000 81.85005  ? 100 ALA   A O    1 
ATOM   1224 C  CB   . ALA   A 1 100 ? 10.07544  -26.85864 -10.70143 1.000 70.39084  ? 100 ALA   A CB   1 
ATOM   1225 H  H    . ALA   A 1 100 ? 8.38356   -25.49718 -11.78846 1.000 78.34660  ? 100 ALA   A H    1 
ATOM   1226 H  HA   . ALA   A 1 100 ? 8.21278   -27.35547 -10.00161 1.000 86.90339  ? 100 ALA   A HA   1 
ATOM   1227 H  HB1  . ALA   A 1 100 ? 10.55098  -27.41996 -10.06923 1.000 84.46901  ? 100 ALA   A HB1  1 
ATOM   1228 H  HB2  . ALA   A 1 100 ? 9.96398   -27.32878 -11.54253 1.000 84.46901  ? 100 ALA   A HB2  1 
ATOM   1229 H  HB3  . ALA   A 1 100 ? 10.56572  -26.03421 -10.84575 1.000 84.46901  ? 100 ALA   A HB3  1 
ATOM   1230 N  N    . GLU   A 1 101 ? 9.07099   -24.53101 -8.78591  1.000 75.19189  ? 101 GLU   A N    1 
ATOM   1231 C  CA   . GLU   A 1 101 ? 9.03883   -23.71047 -7.57974  1.000 71.78704  ? 101 GLU   A CA   1 
ATOM   1232 C  C    . GLU   A 1 101 ? 7.81197   -22.80205 -7.62929  1.000 58.33809  ? 101 GLU   A C    1 
ATOM   1233 O  O    . GLU   A 1 101 ? 7.90572   -21.58504 -7.78965  1.000 55.81894  ? 101 GLU   A O    1 
ATOM   1234 C  CB   . GLU   A 1 101 ? 10.33115  -22.90166 -7.44887  1.000 84.80797  ? 101 GLU   A CB   1 
ATOM   1235 C  CG   . GLU   A 1 101 ? 11.47443  -23.64151 -6.76532  1.000 95.80732  ? 101 GLU   A CG   1 
ATOM   1236 C  CD   . GLU   A 1 101 ? 12.06785  -22.84988 -5.60847  1.000 102.07830 ? 101 GLU   A CD   1 
ATOM   1237 O  OE1  . GLU   A 1 101 ? 11.30448  -22.47024 -4.69272  1.000 104.24479 ? 101 GLU   A OE1  1 
ATOM   1238 O  OE2  . GLU   A 1 101 ? 13.29132  -22.58975 -5.62340  1.000 102.75791 ? 101 GLU   A OE2  1 
ATOM   1239 H  H    . GLU   A 1 101 ? 9.25790   -24.08341 -9.49606  1.000 90.23027  ? 101 GLU   A H    1 
ATOM   1240 H  HA   . GLU   A 1 101 ? 8.96474   -24.28948 -6.80504  1.000 86.14445  ? 101 GLU   A HA   1 
ATOM   1241 H  HB2  . GLU   A 1 101 ? 10.63202  -22.65457 -8.33731  1.000 101.76957 ? 101 GLU   A HB2  1 
ATOM   1242 H  HB3  . GLU   A 1 101 ? 10.14521  -22.10478 -6.92799  1.000 101.76957 ? 101 GLU   A HB3  1 
ATOM   1243 H  HG2  . GLU   A 1 101 ? 11.14366  -24.48380 -6.41598  1.000 114.96878 ? 101 GLU   A HG2  1 
ATOM   1244 H  HG3  . GLU   A 1 101 ? 12.17887  -23.80430 -7.41198  1.000 114.96878 ? 101 GLU   A HG3  1 
ATOM   1245 N  N    . ALA   A 1 102 ? 6.64030   -23.41250 -7.50151  1.000 46.72105  ? 102 ALA   A N    1 
ATOM   1246 C  CA   . ALA   A 1 102 ? 5.40533   -22.64927 -7.52860  1.000 38.29715  ? 102 ALA   A CA   1 
ATOM   1247 C  C    . ALA   A 1 102 ? 5.37640   -21.68562 -6.35305  1.000 40.94197  ? 102 ALA   A C    1 
ATOM   1248 O  O    . ALA   A 1 102 ? 5.92612   -21.96211 -5.28029  1.000 41.21687  ? 102 ALA   A O    1 
ATOM   1249 C  CB   . ALA   A 1 102 ? 4.19913   -23.58482 -7.48297  1.000 38.52808  ? 102 ALA   A CB   1 
ATOM   1250 H  H    . ALA   A 1 102 ? 6.53586   -24.25995 -7.39891  1.000 56.06526  ? 102 ALA   A H    1 
ATOM   1251 H  HA   . ALA   A 1 102 ? 5.34631   -22.13819 -8.35093  1.000 45.95658  ? 102 ALA   A HA   1 
ATOM   1252 H  HB1  . ALA   A 1 102 ? 3.38782   -23.05345 -7.46530  1.000 46.23370  ? 102 ALA   A HB1  1 
ATOM   1253 H  HB2  . ALA   A 1 102 ? 4.20752   -24.14961 -8.27154  1.000 46.23370  ? 102 ALA   A HB2  1 
ATOM   1254 H  HB3  . ALA   A 1 102 ? 4.25378   -24.13179 -6.68376  1.000 46.23370  ? 102 ALA   A HB3  1 
ATOM   1255 N  N    . ARG   A 1 103 ? 4.75669   -20.52763 -6.58520  1.000 38.91378  ? 103 ARG   A N    1 
ATOM   1256 C  CA   . ARG   A 1 103 ? 4.73680   -19.43691 -5.62684  1.000 36.11902  ? 103 ARG   A CA   1 
ATOM   1257 C  C    . ARG   A 1 103 ? 3.39341   -18.73900 -5.71506  1.000 34.78018  ? 103 ARG   A C    1 
ATOM   1258 O  O    . ARG   A 1 103 ? 2.79478   -18.65068 -6.78844  1.000 35.15259  ? 103 ARG   A O    1 
ATOM   1259 C  CB   . ARG   A 1 103 ? 5.83418   -18.38777 -5.89404  1.000 42.38538  ? 103 ARG   A CB   1 
ATOM   1260 C  CG   . ARG   A 1 103 ? 7.23763   -18.90030 -5.87772  1.000 58.32494  ? 103 ARG   A CG   1 
ATOM   1261 C  CD   . ARG   A 1 103 ? 8.01585   -18.25095 -4.75517  1.000 72.51872  ? 103 ARG   A CD   1 
ATOM   1262 N  NE   . ARG   A 1 103 ? 9.09707   -19.09556 -4.26461  1.000 83.40382  ? 103 ARG   A NE   1 
ATOM   1263 C  CZ   . ARG   A 1 103 ? 10.14880  -18.64274 -3.59544  1.000 93.59324  ? 103 ARG   A CZ   1 
ATOM   1264 N  NH1  . ARG   A 1 103 ? 10.34401  -17.34593 -3.40781  1.000 96.73730  ? 103 ARG   A NH1  1 
ATOM   1265 N  NH2  . ARG   A 1 103 ? 11.02465  -19.51164 -3.09693  1.000 96.08353  ? 103 ARG   A NH2  1 
ATOM   1266 H  H    . ARG   A 1 103 ? 4.33099   -20.34994 -7.31101  1.000 46.69653  ? 103 ARG   A H    1 
ATOM   1267 H  HA   . ARG   A 1 103 ? 4.86910   -19.81043 -4.74147  1.000 43.34282  ? 103 ARG   A HA   1 
ATOM   1268 H  HB2  . ARG   A 1 103 ? 5.67895   -18.00137 -6.77011  1.000 50.86246  ? 103 ARG   A HB2  1 
ATOM   1269 H  HB3  . ARG   A 1 103 ? 5.77068   -17.70060 -5.21238  1.000 50.86246  ? 103 ARG   A HB3  1 
ATOM   1270 H  HG2  . ARG   A 1 103 ? 7.23310   -19.86015 -5.73782  1.000 69.98992  ? 103 ARG   A HG2  1 
ATOM   1271 H  HG3  . ARG   A 1 103 ? 7.67194   -18.68971 -6.71910  1.000 69.98992  ? 103 ARG   A HG3  1 
ATOM   1272 H  HD2  . ARG   A 1 103 ? 8.40379   -17.42191 -5.07626  1.000 87.02246  ? 103 ARG   A HD2  1 
ATOM   1273 H  HD3  . ARG   A 1 103 ? 7.41503   -18.07134 -4.01513  1.000 87.02246  ? 103 ARG   A HD3  1 
ATOM   1274 H  HE   . ARG   A 1 103 ? 9.05033   -19.94038 -4.41858  1.000 100.08458 ? 103 ARG   A HE   1 
ATOM   1275 H  HH11 . ARG   A 1 103 ? 9.78192   -16.77644 -3.72299  0.000 116.08476 ? 103 ARG   A HH11 1 
ATOM   1276 H  HH12 . ARG   A 1 103 ? 11.03282  -17.07357 -2.97081  0.000 116.08476 ? 103 ARG   A HH12 1 
ATOM   1277 H  HH21 . ARG   A 1 103 ? 10.90511  -20.35571 -3.21035  1.000 115.30023 ? 103 ARG   A HH21 1 
ATOM   1278 H  HH22 . ARG   A 1 103 ? 11.71024  -19.22915 -2.66131  1.000 115.30023 ? 103 ARG   A HH22 1 
ATOM   1279 N  N    . ILE   A 1 104 ? 2.92822   -18.22489 -4.58877  1.000 30.82977  ? 104 ILE   A N    1 
ATOM   1280 C  CA   . ILE   A 1 104 ? 1.91850   -17.17632 -4.58625  1.000 30.09276  ? 104 ILE   A CA   1 
ATOM   1281 C  C    . ILE   A 1 104 ? 2.55408   -15.92095 -4.00049  1.000 31.34658  ? 104 ILE   A C    1 
ATOM   1282 O  O    . ILE   A 1 104 ? 2.91268   -15.87924 -2.81723  1.000 30.49964  ? 104 ILE   A O    1 
ATOM   1283 C  CB   . ILE   A 1 104 ? 0.67037   -17.58120 -3.80848  1.000 31.91480  ? 104 ILE   A CB   1 
ATOM   1284 C  CG1  . ILE   A 1 104 ? 0.06227   -18.84397 -4.39534  1.000 32.22989  ? 104 ILE   A CG1  1 
ATOM   1285 C  CG2  . ILE   A 1 104 ? -0.32794  -16.46643 -3.88536  1.000 32.95904  ? 104 ILE   A CG2  1 
ATOM   1286 C  CD1  . ILE   A 1 104 ? -1.11431  -19.37650 -3.59356  1.000 34.98406  ? 104 ILE   A CD1  1 
ATOM   1287 H  H    . ILE   A 1 104 ? 3.18402   -18.46888 -3.80479  1.000 36.99572  ? 104 ILE   A H    1 
ATOM   1288 H  HA   . ILE   A 1 104 ? 1.65776   -16.98769 -5.50131  1.000 36.11131  ? 104 ILE   A HA   1 
ATOM   1289 H  HB   . ILE   A 1 104 ? 0.91500   -17.75527 -2.88612  1.000 38.29776  ? 104 ILE   A HB   1 
ATOM   1290 H  HG12 . ILE   A 1 104 ? -0.25159  -18.65259 -5.29298  1.000 38.67586  ? 104 ILE   A HG12 1 
ATOM   1291 H  HG13 . ILE   A 1 104 ? 0.74172   -19.53575 -4.42190  1.000 38.67586  ? 104 ILE   A HG13 1 
ATOM   1292 H  HG21 . ILE   A 1 104 ? -0.09967  -15.88890 -4.63052  1.000 39.55085  ? 104 ILE   A HG21 1 
ATOM   1293 H  HG22 . ILE   A 1 104 ? -0.30325  -15.96268 -3.05679  1.000 39.55085  ? 104 ILE   A HG22 1 
ATOM   1294 H  HG23 . ILE   A 1 104 ? -1.21212  -16.84286 -4.01739  1.000 39.55085  ? 104 ILE   A HG23 1 
ATOM   1295 H  HD11 . ILE   A 1 104 ? -1.84616  -18.74216 -3.64747  1.000 41.98088  ? 104 ILE   A HD11 1 
ATOM   1296 H  HD12 . ILE   A 1 104 ? -0.84164  -19.48918 -2.66952  1.000 41.98088  ? 104 ILE   A HD12 1 
ATOM   1297 H  HD13 . ILE   A 1 104 ? -1.38843  -20.23005 -3.96398  1.000 41.98088  ? 104 ILE   A HD13 1 
ATOM   1298 N  N    . ASN   A 1 105 ? 2.71004   -14.90793 -4.83827  1.000 29.90482  ? 105 ASN   A N    1 
ATOM   1299 C  CA   . ASN   A 1 105 ? 3.32680   -13.64524 -4.46584  1.000 28.13501  ? 105 ASN   A CA   1 
ATOM   1300 C  C    . ASN   A 1 105 ? 2.22573   -12.66005 -4.13852  1.000 27.84854  ? 105 ASN   A C    1 
ATOM   1301 O  O    . ASN   A 1 105 ? 1.36826   -12.38750 -4.97980  1.000 33.80550  ? 105 ASN   A O    1 
ATOM   1302 C  CB   . ASN   A 1 105 ? 4.20345   -13.14022 -5.60773  1.000 32.42092  ? 105 ASN   A CB   1 
ATOM   1303 C  CG   . ASN   A 1 105 ? 5.31767   -14.08392 -5.92105  1.000 37.52558  ? 105 ASN   A CG   1 
ATOM   1304 O  OD1  . ASN   A 1 105 ? 5.99601   -14.57815 -5.02145  1.000 44.46264  ? 105 ASN   A OD1  1 
ATOM   1305 N  ND2  . ASN   A 1 105 ? 5.50837   -14.36291 -7.20659  1.000 40.36435  ? 105 ASN   A ND2  1 
ATOM   1306 H  H    . ASN   A 1 105 ? 2.45676   -14.92872 -5.65987  1.000 35.88578  ? 105 ASN   A H    1 
ATOM   1307 H  HA   . ASN   A 1 105 ? 3.88377   -13.74972 -3.67859  1.000 33.76201  ? 105 ASN   A HA   1 
ATOM   1308 H  HB2  . ASN   A 1 105 ? 3.66041   -13.03782 -6.40492  1.000 38.90510  ? 105 ASN   A HB2  1 
ATOM   1309 H  HB3  . ASN   A 1 105 ? 4.59091   -12.28665 -5.35834  1.000 38.90510  ? 105 ASN   A HB3  1 
ATOM   1310 H  HD21 . ASN   A 1 105 ? 5.00312   -14.00546 -7.80372  0.000 48.43722  ? 105 ASN   A HD21 1 
ATOM   1311 H  HD22 . ASN   A 1 105 ? 6.13700   -14.90085 -7.44120  0.000 48.43722  ? 105 ASN   A HD22 1 
ATOM   1312 N  N    . THR   A 1 106 ? 2.27126   -12.09453 -2.93547  1.000 28.20511  ? 106 THR   A N    1 
ATOM   1313 C  CA   . THR   A 1 106 ? 1.20596   -11.21924 -2.49739  1.000 28.97256  ? 106 THR   A CA   1 
ATOM   1314 C  C    . THR   A 1 106 ? 1.69526   -9.94019  -1.82256  1.000 25.97373  ? 106 THR   A C    1 
ATOM   1315 O  O    . THR   A 1 106 ? 2.82914   -9.83029  -1.31675  1.000 28.87217  ? 106 THR   A O    1 
ATOM   1316 C  CB   . THR   A 1 106 ? 0.24912   -11.89402 -1.50090  1.000 31.42390  ? 106 THR   A CB   1 
ATOM   1317 O  OG1  . THR   A 1 106 ? 0.90855   -12.08917 -0.24112  1.000 32.20032  ? 106 THR   A OG1  1 
ATOM   1318 C  CG2  . THR   A 1 106 ? -0.21414  -13.20252 -1.97952  1.000 30.01372  ? 106 THR   A CG2  1 
ATOM   1319 H  H    . THR   A 1 106 ? 2.90561   -12.20573 -2.36552  1.000 33.84613  ? 106 THR   A H    1 
ATOM   1320 H  HA   . THR   A 1 106 ? 0.74827   -10.97382 -3.31665  1.000 34.76708  ? 106 THR   A HA   1 
ATOM   1321 H  HB   . THR   A 1 106 ? -0.52294  -11.31625 -1.39594  1.000 37.70868  ? 106 THR   A HB   1 
ATOM   1322 H  HG1  . THR   A 1 106 ? 1.58213   -12.58070 -0.34253  0.000 38.64039  ? 106 THR   A HG1  1 
ATOM   1323 H  HG21 . THR   A 1 106 ? -1.00323  -13.47591 -1.48607  1.000 36.01647  ? 106 THR   A HG21 1 
ATOM   1324 H  HG22 . THR   A 1 106 ? 0.48141   -13.86689 -1.85415  1.000 36.01647  ? 106 THR   A HG22 1 
ATOM   1325 H  HG23 . THR   A 1 106 ? -0.43461  -13.15172 -2.92276  1.000 36.01647  ? 106 THR   A HG23 1 
ATOM   1326 N  N    . GLN   A 1 107 ? 0.77690   -8.97577  -1.80366  1.000 29.35868  ? 107 GLN   A N    1 
ATOM   1327 C  CA   . GLN   A 1 107 ? 0.79596   -7.85118  -0.88089  1.000 30.51015  ? 107 GLN   A CA   1 
ATOM   1328 C  C    . GLN   A 1 107 ? -0.49053  -7.87923  -0.07875  1.000 28.97633  ? 107 GLN   A C    1 
ATOM   1329 O  O    . GLN   A 1 107 ? -1.50415  -8.42760  -0.51970  1.000 29.29070  ? 107 GLN   A O    1 
ATOM   1330 C  CB   . GLN   A 1 107 ? 0.95100   -6.54080  -1.62199  1.000 35.07782  ? 107 GLN   A CB   1 
ATOM   1331 C  CG   . GLN   A 1 107 ? 2.02171   -6.72556  -2.65012  1.000 41.76864  ? 107 GLN   A CG   1 
ATOM   1332 C  CD   . GLN   A 1 107 ? 2.82327   -5.50452  -2.90860  1.000 38.33199  ? 107 GLN   A CD   1 
ATOM   1333 O  OE1  . GLN   A 1 107 ? 3.20039   -4.78008  -1.97595  1.000 38.13144  ? 107 GLN   A OE1  1 
ATOM   1334 N  NE2  . GLN   A 1 107 ? 3.08806   -5.23933  -4.19285  1.000 45.26946  ? 107 GLN   A NE2  1 
ATOM   1335 H  H    . GLN   A 1 107 ? 0.10538   -8.95326  -2.34046  1.000 35.23042  ? 107 GLN   A H    1 
ATOM   1336 H  HA   . GLN   A 1 107 ? 1.54280   -7.91354  -0.26507  1.000 36.61218  ? 107 GLN   A HA   1 
ATOM   1337 H  HB2  . GLN   A 1 107 ? 0.11964   -6.30435  -2.06224  1.000 42.09338  ? 107 GLN   A HB2  1 
ATOM   1338 H  HB3  . GLN   A 1 107 ? 1.21287   -5.83728  -1.00768  1.000 42.09338  ? 107 GLN   A HB3  1 
ATOM   1339 H  HG2  . GLN   A 1 107 ? 2.62893   -7.41850  -2.34680  1.000 50.12237  ? 107 GLN   A HG2  1 
ATOM   1340 H  HG3  . GLN   A 1 107 ? 1.60820   -6.98977  -3.48684  1.000 50.12237  ? 107 GLN   A HG3  1 
ATOM   1341 H  HE21 . GLN   A 1 107 ? 2.79732   -5.76405  -4.80908  0.000 54.32335  ? 107 GLN   A HE21 1 
ATOM   1342 H  HE22 . GLN   A 1 107 ? 3.54902   -4.54414  -4.40218  0.000 54.32335  ? 107 GLN   A HE22 1 
ATOM   1343 N  N    . TRP   A 1 108 ? -0.43349  -7.37280  1.14639   1.000 26.40397  ? 108 TRP   A N    1 
ATOM   1344 C  CA   . TRP   A 1 108 ? -1.61322  -7.45485  1.98332   1.000 26.62511  ? 108 TRP   A CA   1 
ATOM   1345 C  C    . TRP   A 1 108 ? -1.85978  -6.12800  2.68626   1.000 28.56762  ? 108 TRP   A C    1 
ATOM   1346 O  O    . TRP   A 1 108 ? -0.97060  -5.27920  2.83945   1.000 27.63498  ? 108 TRP   A O    1 
ATOM   1347 C  CB   . TRP   A 1 108 ? -1.53873  -8.59074  3.02555   1.000 27.13444  ? 108 TRP   A CB   1 
ATOM   1348 C  CG   . TRP   A 1 108 ? -0.30056  -8.63382  3.86808   1.000 26.94593  ? 108 TRP   A CG   1 
ATOM   1349 C  CD1  . TRP   A 1 108 ? 0.76453   -9.48843  3.73322   1.000 29.31330  ? 108 TRP   A CD1  1 
ATOM   1350 C  CD2  . TRP   A 1 108 ? -0.03761  -7.85683  5.03569   1.000 28.95354  ? 108 TRP   A CD2  1 
ATOM   1351 N  NE1  . TRP   A 1 108 ? 1.69646   -9.24287  4.71160   1.000 30.04532  ? 108 TRP   A NE1  1 
ATOM   1352 C  CE2  . TRP   A 1 108 ? 1.22187   -8.25002  5.52724   1.000 30.02582  ? 108 TRP   A CE2  1 
ATOM   1353 C  CE3  . TRP   A 1 108 ? -0.72887  -6.84971  5.70243   1.000 26.80390  ? 108 TRP   A CE3  1 
ATOM   1354 C  CZ2  . TRP   A 1 108 ? 1.79318   -7.66854  6.64881   1.000 30.18571  ? 108 TRP   A CZ2  1 
ATOM   1355 C  CZ3  . TRP   A 1 108 ? -0.14271  -6.26223  6.79507   1.000 28.13123  ? 108 TRP   A CZ3  1 
ATOM   1356 C  CH2  . TRP   A 1 108 ? 1.07961   -6.69862  7.28370   1.000 29.01672  ? 108 TRP   A CH2  1 
ATOM   1357 H  H    . TRP   A 1 108 ? 0.25256   -6.99206  1.49849   1.000 31.68476  ? 108 TRP   A H    1 
ATOM   1358 H  HA   . TRP   A 1 108 ? -2.36816  -7.63297  1.40087   1.000 31.95013  ? 108 TRP   A HA   1 
ATOM   1359 H  HB2  . TRP   A 1 108 ? -2.29207  -8.49726  3.62941   1.000 32.56132  ? 108 TRP   A HB2  1 
ATOM   1360 H  HB3  . TRP   A 1 108 ? -1.59372  -9.43722  2.55507   1.000 32.56132  ? 108 TRP   A HB3  1 
ATOM   1361 H  HD1  . TRP   A 1 108 ? 0.84385   -10.13994 3.07433   1.000 35.17596  ? 108 TRP   A HD1  1 
ATOM   1362 H  HE1  . TRP   A 1 108 ? 2.45167   -9.64515  4.79776   1.000 36.05439  ? 108 TRP   A HE1  1 
ATOM   1363 H  HE3  . TRP   A 1 108 ? -1.57079  -6.58043  5.41335   1.000 32.16468  ? 108 TRP   A HE3  1 
ATOM   1364 H  HZ2  . TRP   A 1 108 ? 2.63110   -7.93089  6.95534   1.000 36.22286  ? 108 TRP   A HZ2  1 
ATOM   1365 H  HZ3  . TRP   A 1 108 ? -0.57489  -5.55539  7.21756   1.000 33.75748  ? 108 TRP   A HZ3  1 
ATOM   1366 H  HH2  . TRP   A 1 108 ? 1.41932   -6.32024  8.06237   1.000 34.82006  ? 108 TRP   A HH2  1 
ATOM   1367 N  N    . LEU   A 1 109 ? -3.11444  -5.95558  3.06003   1.000 25.62213  ? 109 LEU   A N    1 
ATOM   1368 C  CA   . LEU   A 1 109 ? -3.59454  -4.82734  3.83454   1.000 23.76215  ? 109 LEU   A CA   1 
ATOM   1369 C  C    . LEU   A 1 109 ? -4.29409  -5.39595  5.05543   1.000 25.36301  ? 109 LEU   A C    1 
ATOM   1370 O  O    . LEU   A 1 109 ? -5.21179  -6.20120  4.91571   1.000 28.71942  ? 109 LEU   A O    1 
ATOM   1371 C  CB   . LEU   A 1 109 ? -4.57948  -3.98185  3.02304   1.000 24.95636  ? 109 LEU   A CB   1 
ATOM   1372 C  CG   . LEU   A 1 109 ? -4.05316  -3.24120  1.79113   1.000 28.38026  ? 109 LEU   A CG   1 
ATOM   1373 C  CD1  . LEU   A 1 109 ? -5.19291  -2.71395  1.03622   1.000 30.78969  ? 109 LEU   A CD1  1 
ATOM   1374 C  CD2  . LEU   A 1 109 ? -3.12190  -2.12900  2.16995   1.000 28.58018  ? 109 LEU   A CD2  1 
ATOM   1375 H  H    . LEU   A 1 109 ? -3.74230  -6.51033  2.86601   1.000 30.74655  ? 109 LEU   A H    1 
ATOM   1376 H  HA   . LEU   A 1 109 ? -2.85382  -4.26234  4.10474   1.000 28.51458  ? 109 LEU   A HA   1 
ATOM   1377 H  HB2  . LEU   A 1 109 ? -5.28535  -4.57032  2.71264   1.000 29.94763  ? 109 LEU   A HB2  1 
ATOM   1378 H  HB3  . LEU   A 1 109 ? -4.94635  -3.30793  3.61645   1.000 29.94763  ? 109 LEU   A HB3  1 
ATOM   1379 H  HG   . LEU   A 1 109 ? -3.54691  -3.85680  1.23828   1.000 34.05631  ? 109 LEU   A HG   1 
ATOM   1380 H  HD11 . LEU   A 1 109 ? -4.86230  -2.20650  0.27853   1.000 36.94762  ? 109 LEU   A HD11 1 
ATOM   1381 H  HD12 . LEU   A 1 109 ? -5.71700  -2.13928  1.61587   1.000 36.94762  ? 109 LEU   A HD12 1 
ATOM   1382 H  HD13 . LEU   A 1 109 ? -5.73640  -3.45514  0.72613   1.000 36.94762  ? 109 LEU   A HD13 1 
ATOM   1383 H  HD21 . LEU   A 1 109 ? -2.47967  -2.46127  2.81651   1.000 34.29622  ? 109 LEU   A HD21 1 
ATOM   1384 H  HD22 . LEU   A 1 109 ? -3.63686  -1.40418  2.55770   1.000 34.29622  ? 109 LEU   A HD22 1 
ATOM   1385 H  HD23 . LEU   A 1 109 ? -2.66068  -1.81873  1.37502   1.000 34.29622  ? 109 LEU   A HD23 1 
ATOM   1386 N  N    . LEU   A 1 110 ? -3.87861  -4.97061  6.23403   1.000 27.72594  ? 110 LEU   A N    1 
ATOM   1387 C  CA   . LEU   A 1 110 ? -4.51324  -5.33940  7.48938   1.000 24.43435  ? 110 LEU   A CA   1 
ATOM   1388 C  C    . LEU   A 1 110 ? -5.16638  -4.09999  8.10710   1.000 27.11357  ? 110 LEU   A C    1 
ATOM   1389 O  O    . LEU   A 1 110 ? -4.48139  -3.15106  8.51312   1.000 29.56683  ? 110 LEU   A O    1 
ATOM   1390 C  CB   . LEU   A 1 110 ? -3.48215  -5.95063  8.42670   1.000 26.92652  ? 110 LEU   A CB   1 
ATOM   1391 C  CG   . LEU   A 1 110 ? -3.99566  -6.54763  9.72459   1.000 29.60940  ? 110 LEU   A CG   1 
ATOM   1392 C  CD1  . LEU   A 1 110 ? -2.84479  -7.27464  10.36275  1.000 32.95963  ? 110 LEU   A CD1  1 
ATOM   1393 C  CD2  . LEU   A 1 110 ? -4.46333  -5.50051  10.63752  1.000 39.29841  ? 110 LEU   A CD2  1 
ATOM   1394 H  H    . LEU   A 1 110 ? -3.20459  -4.44677  6.33832   1.000 33.27113  ? 110 LEU   A H    1 
ATOM   1395 H  HA   . LEU   A 1 110 ? -5.21827  -5.98457  7.32325   1.000 29.32122  ? 110 LEU   A HA   1 
ATOM   1396 H  HB2  . LEU   A 1 110 ? -3.02913  -6.66241  7.94812   1.000 32.31182  ? 110 LEU   A HB2  1 
ATOM   1397 H  HB3  . LEU   A 1 110 ? -2.84853  -5.25637  8.66633   1.000 32.31182  ? 110 LEU   A HB3  1 
ATOM   1398 H  HG   . LEU   A 1 110 ? -4.74197  -7.14235  9.55071   1.000 35.53128  ? 110 LEU   A HG   1 
ATOM   1399 H  HD11 . LEU   A 1 110 ? -2.52793  -7.96031  9.75418   1.000 39.55155  ? 110 LEU   A HD11 1 
ATOM   1400 H  HD12 . LEU   A 1 110 ? -3.14751  -7.68080  11.18997  1.000 39.55155  ? 110 LEU   A HD12 1 
ATOM   1401 H  HD13 . LEU   A 1 110 ? -2.13369  -6.64095  10.54625  1.000 39.55155  ? 110 LEU   A HD13 1 
ATOM   1402 H  HD21 . LEU   A 1 110 ? -3.91990  -4.70680  10.51258  1.000 47.15809  ? 110 LEU   A HD21 1 
ATOM   1403 H  HD22 . LEU   A 1 110 ? -4.38078  -5.81756  11.55051  1.000 47.15809  ? 110 LEU   A HD22 1 
ATOM   1404 H  HD23 . LEU   A 1 110 ? -5.39158  -5.30038  10.43951  1.000 47.15809  ? 110 LEU   A HD23 1 
ATOM   1405 N  N    . THR   A 1 111 ? -6.48705  -4.12950  8.23357   1.000 26.67226  ? 111 THR   A N    1 
ATOM   1406 C  CA   . THR   A 1 111 ? -7.22721  -3.02957  8.83778   1.000 26.04918  ? 111 THR   A CA   1 
ATOM   1407 C  C    . THR   A 1 111 ? -7.74132  -3.44127  10.20383  1.000 25.86056  ? 111 THR   A C    1 
ATOM   1408 O  O    . THR   A 1 111 ? -8.35597  -4.50728  10.34655  1.000 30.01526  ? 111 THR   A O    1 
ATOM   1409 C  CB   . THR   A 1 111 ? -8.39998  -2.55213  7.97475   1.000 28.42353  ? 111 THR   A CB   1 
ATOM   1410 O  OG1  . THR   A 1 111 ? -7.89049  -2.19089  6.68423   1.000 34.13687  ? 111 THR   A OG1  1 
ATOM   1411 C  CG2  . THR   A 1 111 ? -9.08739  -1.34256  8.63364   1.000 33.54288  ? 111 THR   A CG2  1 
ATOM   1412 H  H    . THR   A 1 111 ? -6.98164  -4.78336  7.97386   1.000 32.00672  ? 111 THR   A H    1 
ATOM   1413 H  HA   . THR   A 1 111 ? -6.61327  -2.28523  8.93748   1.000 31.25901  ? 111 THR   A HA   1 
ATOM   1414 H  HB   . THR   A 1 111 ? -9.06558  -3.25120  7.87887   1.000 34.10824  ? 111 THR   A HB   1 
ATOM   1415 H  HG1  . THR   A 1 111 ? -7.19981  -1.72046  6.76942   0.000 40.96425  ? 111 THR   A HG1  1 
ATOM   1416 H  HG21 . THR   A 1 111 ? -9.51370  -0.79390  7.95678   1.000 40.25145  ? 111 THR   A HG21 1 
ATOM   1417 H  HG22 . THR   A 1 111 ? -8.43250  -0.80609  9.10716   1.000 40.25145  ? 111 THR   A HG22 1 
ATOM   1418 H  HG23 . THR   A 1 111 ? -9.76043  -1.64565  9.26298   1.000 40.25145  ? 111 THR   A HG23 1 
ATOM   1419 N  N    . VAL   A 1 112 ? -7.50584  -2.58588  11.18773  1.000 28.22302  ? 112 VAL   A N    1 
ATOM   1420 C  CA   . VAL   A 1 112 ? -7.99528  -2.74884  12.55123  1.000 29.61254  ? 112 VAL   A CA   1 
ATOM   1421 C  C    . VAL   A 1 112 ? -9.18041  -1.82748  12.73308  1.000 31.07789  ? 112 VAL   A C    1 
ATOM   1422 O  O    . VAL   A 1 112 ? -9.16030  -0.68798  12.25883  1.000 33.81793  ? 112 VAL   A O    1 
ATOM   1423 C  CB   . VAL   A 1 112 ? -6.90932  -2.41738  13.59365  1.000 37.21058  ? 112 VAL   A CB   1 
ATOM   1424 C  CG1  . VAL   A 1 112 ? -7.41282  -2.69149  14.98422  1.000 39.91015  ? 112 VAL   A CG1  1 
ATOM   1425 C  CG2  . VAL   A 1 112 ? -5.65111  -3.22169  13.30220  1.000 42.13557  ? 112 VAL   A CG2  1 
ATOM   1426 H  H    . VAL   A 1 112 ? -7.04272  -1.86831  11.08665  1.000 33.86762  ? 112 VAL   A H    1 
ATOM   1427 H  HA   . VAL   A 1 112 ? -8.26763  -3.67102  12.67894  1.000 35.53504  ? 112 VAL   A HA   1 
ATOM   1428 H  HB   . VAL   A 1 112 ? -6.68850  -1.47433  13.54073  1.000 44.65270  ? 112 VAL   A HB   1 
ATOM   1429 H  HG11 . VAL   A 1 112 ? -6.67641  -2.60465  15.60957  1.000 47.89218  ? 112 VAL   A HG11 1 
ATOM   1430 H  HG12 . VAL   A 1 112 ? -8.10783  -2.05034  15.20054  1.000 47.89218  ? 112 VAL   A HG12 1 
ATOM   1431 H  HG13 . VAL   A 1 112 ? -7.77138  -3.59214  15.01844  1.000 47.89218  ? 112 VAL   A HG13 1 
ATOM   1432 H  HG21 . VAL   A 1 112 ? -4.98705  -3.02651  13.98178  1.000 50.56268  ? 112 VAL   A HG21 1 
ATOM   1433 H  HG22 . VAL   A 1 112 ? -5.87015  -4.16654  13.31546  1.000 50.56268  ? 112 VAL   A HG22 1 
ATOM   1434 H  HG23 . VAL   A 1 112 ? -5.31267  -2.97283  12.42788  1.000 50.56268  ? 112 VAL   A HG23 1 
ATOM   1435 N  N    . GLY   A 1 113 ? -10.23084 -2.31627  13.38523  1.000 31.24803  ? 113 GLY   A N    1 
ATOM   1436 C  CA   . GLY   A 1 113 ? -11.31621 -1.41922  13.74302  1.000 34.06989  ? 113 GLY   A CA   1 
ATOM   1437 C  C    . GLY   A 1 113 ? -10.84619 -0.31630  14.67494  1.000 33.15144  ? 113 GLY   A C    1 
ATOM   1438 O  O    . GLY   A 1 113 ? -10.18899 -0.59414  15.67548  1.000 33.70287  ? 113 GLY   A O    1 
ATOM   1439 H  H    . GLY   A 1 113 ? -10.33268 -3.13654  13.62268  1.000 37.49763  ? 113 GLY   A H    1 
ATOM   1440 H  HA2  . GLY   A 1 113 ? -11.67808 -1.01236  12.94027  1.000 40.88387  ? 113 GLY   A HA2  1 
ATOM   1441 H  HA3  . GLY   A 1 113 ? -12.01796 -1.92076  14.18676  1.000 40.88387  ? 113 GLY   A HA3  1 
ATOM   1442 N  N    . THR   A 1 114 ? -11.13953 0.94320   14.35764  1.000 36.86209  ? 114 THR   A N    1 
ATOM   1443 C  CA   . THR   A 1 114 ? -10.65368 2.05261   15.15800  1.000 34.86428  ? 114 THR   A CA   1 
ATOM   1444 C  C    . THR   A 1 114 ? -11.76818 3.08013   15.35054  1.000 37.42573  ? 114 THR   A C    1 
ATOM   1445 O  O    . THR   A 1 114 ? -12.77914 3.08144   14.63768  1.000 38.24431  ? 114 THR   A O    1 
ATOM   1446 C  CB   . THR   A 1 114 ? -9.44342  2.76485   14.50588  1.000 37.57817  ? 114 THR   A CB   1 
ATOM   1447 O  OG1  . THR   A 1 114 ? -9.88431  3.46391   13.32937  1.000 38.25560  ? 114 THR   A OG1  1 
ATOM   1448 C  CG2  . THR   A 1 114 ? -8.34111  1.81263   14.12340  1.000 38.14015  ? 114 THR   A CG2  1 
ATOM   1449 H  H    . THR   A 1 114 ? -11.61866 1.17586   13.68243  1.000 44.23451  ? 114 THR   A H    1 
ATOM   1450 H  HA   . THR   A 1 114 ? -10.38867 1.70015   16.02197  1.000 41.83713  ? 114 THR   A HA   1 
ATOM   1451 H  HB   . THR   A 1 114 ? -9.07162  3.38177   15.15555  1.000 45.09381  ? 114 THR   A HB   1 
ATOM   1452 H  HG1  . THR   A 1 114 ? -9.22110  3.72578   12.88534  0.000 45.90672  ? 114 THR   A HG1  1 
ATOM   1453 H  HG21 . THR   A 1 114 ? -8.12579  1.23604   14.87312  1.000 45.76817  ? 114 THR   A HG21 1 
ATOM   1454 H  HG22 . THR   A 1 114 ? -7.54719  2.30886   13.86975  1.000 45.76817  ? 114 THR   A HG22 1 
ATOM   1455 H  HG23 . THR   A 1 114 ? -8.62186  1.26369   13.37457  1.000 45.76817  ? 114 THR   A HG23 1 
ATOM   1456 N  N    . THR   A 1 115 ? -11.55403 3.98386   16.30754  1.000 37.91574  ? 115 THR   A N    1 
ATOM   1457 C  CA   . THR   A 1 115 ? -12.34741 5.20107   16.38479  1.000 40.07973  ? 115 THR   A CA   1 
ATOM   1458 C  C    . THR   A 1 115 ? -12.05670 6.10135   15.18405  1.000 43.14086  ? 115 THR   A C    1 
ATOM   1459 O  O    . THR   A 1 115 ? -11.05476 5.94178   14.48874  1.000 43.84945  ? 115 THR   A O    1 
ATOM   1460 C  CB   . THR   A 1 115 ? -12.05260 5.92715   17.69327  1.000 45.10231  ? 115 THR   A CB   1 
ATOM   1461 O  OG1  . THR   A 1 115 ? -10.65159 6.20520   17.78600  1.000 46.45410  ? 115 THR   A OG1  1 
ATOM   1462 C  CG2  . THR   A 1 115 ? -12.43683 5.04507   18.85731  1.000 46.22753  ? 115 THR   A CG2  1 
ATOM   1463 H  H    . THR   A 1 115 ? -10.95573 3.91267   16.92120  1.000 45.49888  ? 115 THR   A H    1 
ATOM   1464 H  HA   . THR   A 1 115 ? -13.29369 4.98851   16.36820  1.000 48.09568  ? 115 THR   A HA   1 
ATOM   1465 H  HB   . THR   A 1 115 ? -12.55506 6.75616   17.72750  1.000 54.12277  ? 115 THR   A HB   1 
ATOM   1466 H  HG1  . THR   A 1 115 ? -10.22108 5.48834   17.86573  0.000 55.74492  ? 115 THR   A HG1  1 
ATOM   1467 H  HG21 . THR   A 1 115 ? -12.36354 5.54099   19.68772  1.000 55.47304  ? 115 THR   A HG21 1 
ATOM   1468 H  HG22 . THR   A 1 115 ? -11.84900 4.27454   18.89788  1.000 55.47304  ? 115 THR   A HG22 1 
ATOM   1469 H  HG23 . THR   A 1 115 ? -13.35118 4.73833   18.75348  1.000 55.47304  ? 115 THR   A HG23 1 
ATOM   1470 N  N    . GLU   A 1 116 ? -12.96419 7.04652   14.91488  1.000 45.57159  ? 116 GLU   A N    1 
ATOM   1471 C  CA   . GLU   A 1 116 ? -12.72582 7.92394   13.77187  1.000 54.00330  ? 116 GLU   A CA   1 
ATOM   1472 C  C    . GLU   A 1 116 ? -11.44252 8.72316   13.96801  1.000 49.71764  ? 116 GLU   A C    1 
ATOM   1473 O  O    . GLU   A 1 116 ? -10.73384 9.01581   12.99670  1.000 49.53109  ? 116 GLU   A O    1 
ATOM   1474 C  CB   . GLU   A 1 116 ? -13.91497 8.86069   13.53787  1.000 66.46751  ? 116 GLU   A CB   1 
ATOM   1475 C  CG   . GLU   A 1 116 ? -15.04032 8.26960   12.65660  1.000 77.74239  ? 116 GLU   A CG   1 
ATOM   1476 C  CD   . GLU   A 1 116 ? -14.55202 7.65015   11.33028  1.000 88.27300  ? 116 GLU   A CD   1 
ATOM   1477 O  OE1  . GLU   A 1 116 ? -13.98426 6.53091   11.37436  1.000 92.25625  ? 116 GLU   A OE1  1 
ATOM   1478 O  OE2  . GLU   A 1 116 ? -14.73705 8.27057   10.24986  1.000 90.13733  ? 116 GLU   A OE2  1 
ATOM   1479 H  H    . GLU   A 1 116 ? -13.68763 7.19106   15.35687  1.000 54.68591  ? 116 GLU   A H    1 
ATOM   1480 H  HA   . GLU   A 1 116 ? -12.63752 7.38076   12.97308  1.000 64.80396  ? 116 GLU   A HA   1 
ATOM   1481 H  HB2  . GLU   A 1 116 ? -14.30446 9.08472   14.39753  1.000 79.76101  ? 116 GLU   A HB2  1 
ATOM   1482 H  HB3  . GLU   A 1 116 ? -13.59277 9.66410   13.10013  1.000 79.76101  ? 116 GLU   A HB3  1 
ATOM   1483 H  HG2  . GLU   A 1 116 ? -15.49169 7.57200   13.15712  1.000 93.29087  ? 116 GLU   A HG2  1 
ATOM   1484 H  HG3  . GLU   A 1 116 ? -15.66571 8.97766   12.43653  1.000 93.29087  ? 116 GLU   A HG3  1 
ATOM   1485 N  N    . ALA   A 1 117 ? -11.11496 9.05757   15.22145  1.000 46.70128  ? 117 ALA   A N    1 
ATOM   1486 C  CA   . ALA   A 1 117 ? -9.89977  9.81824   15.50338  1.000 47.87791  ? 117 ALA   A CA   1 
ATOM   1487 C  C    . ALA   A 1 117 ? -8.63696  9.04273   15.14639  1.000 46.21103  ? 117 ALA   A C    1 
ATOM   1488 O  O    . ALA   A 1 117 ? -7.61604  9.64698   14.79673  1.000 46.71655  ? 117 ALA   A O    1 
ATOM   1489 C  CB   . ALA   A 1 117 ? -9.85510  10.21338  16.97511  1.000 51.47292  ? 117 ALA   A CB   1 
ATOM   1490 H  H    . ALA   A 1 117 ? -11.57662 8.85697   15.91875  1.000 56.04153  ? 117 ALA   A H    1 
ATOM   1491 H  HA   . ALA   A 1 117 ? -9.92140  10.62455  14.96459  1.000 57.45350  ? 117 ALA   A HA   1 
ATOM   1492 H  HB1  . ALA   A 1 117 ? -9.04379  10.71816  17.14208  1.000 61.76751  ? 117 ALA   A HB1  1 
ATOM   1493 H  HB2  . ALA   A 1 117 ? -10.63141 10.75782  17.17963  1.000 61.76751  ? 117 ALA   A HB2  1 
ATOM   1494 H  HB3  . ALA   A 1 117 ? -9.86233  9.40972   17.51822  1.000 61.76751  ? 117 ALA   A HB3  1 
ATOM   1495 N  N    . ASN   A 1 118 ? -8.68703  7.71374   15.21754  1.000 45.10637  ? 118 ASN   A N    1 
ATOM   1496 C  CA   . ASN   A 1 118 ? -7.54492  6.86529   14.92946  1.000 39.88689  ? 118 ASN   A CA   1 
ATOM   1497 C  C    . ASN   A 1 118 ? -7.62885  6.21710   13.55713  1.000 37.93715  ? 118 ASN   A C    1 
ATOM   1498 O  O    . ASN   A 1 118 ? -6.79469  5.36893   13.22393  1.000 39.81882  ? 118 ASN   A O    1 
ATOM   1499 C  CB   . ASN   A 1 118 ? -7.42419  5.79884   16.00662  1.000 39.79045  ? 118 ASN   A CB   1 
ATOM   1500 C  CG   . ASN   A 1 118 ? -6.99883  6.36660   17.31506  1.000 48.01330  ? 118 ASN   A CG   1 
ATOM   1501 O  OD1  . ASN   A 1 118 ? -6.24354  7.33622   17.35147  1.000 50.51192  ? 118 ASN   A OD1  1 
ATOM   1502 N  ND2  . ASN   A 1 118 ? -7.45797  5.76643   18.40843  1.000 51.93931  ? 118 ASN   A ND2  1 
ATOM   1503 H  H    . ASN   A 1 118 ? -9.39252  7.27350   15.43680  1.000 54.12765  ? 118 ASN   A H    1 
ATOM   1504 H  HA   . ASN   A 1 118 ? -6.73920  7.40519   14.94440  1.000 47.86427  ? 118 ASN   A HA   1 
ATOM   1505 H  HB2  . ASN   A 1 118 ? -8.28606  5.37083   16.12868  1.000 47.74854  ? 118 ASN   A HB2  1 
ATOM   1506 H  HB3  . ASN   A 1 118 ? -6.76397  5.14314   15.73266  1.000 47.74854  ? 118 ASN   A HB3  1 
ATOM   1507 H  HD21 . ASN   A 1 118 ? -7.97561  5.08321   18.33873  0.000 62.32718  ? 118 ASN   A HD21 1 
ATOM   1508 H  HD22 . ASN   A 1 118 ? -7.23742  6.06130   19.18561  0.000 62.32718  ? 118 ASN   A HD22 1 
ATOM   1509 N  N    . ALA   A 1 119 ? -8.59782  6.62203   12.74006  1.000 36.56360  ? 119 ALA   A N    1 
ATOM   1510 C  CA   . ALA   A 1 119 ? -8.78437  5.94813   11.46104  1.000 36.00380  ? 119 ALA   A CA   1 
ATOM   1511 C  C    . ALA   A 1 119 ? -7.54911  6.08276   10.58475  1.000 34.72432  ? 119 ALA   A C    1 
ATOM   1512 O  O    . ALA   A 1 119 ? -7.20014  5.15726   9.84332   1.000 37.54996  ? 119 ALA   A O    1 
ATOM   1513 C  CB   . ALA   A 1 119 ? -10.00922 6.51238   10.74333  1.000 41.74413  ? 119 ALA   A CB   1 
ATOM   1514 H  H    . ALA   A 1 119 ? -9.14524  7.26617   12.89820  1.000 43.87632  ? 119 ALA   A H    1 
ATOM   1515 H  HA   . ALA   A 1 119 ? -8.93900  5.00477   11.62552  1.000 43.20456  ? 119 ALA   A HA   1 
ATOM   1516 H  HB1  . ALA   A 1 119 ? -10.15408 6.01206   9.92504   1.000 50.09296  ? 119 ALA   A HB1  1 
ATOM   1517 H  HB2  . ALA   A 1 119 ? -10.78190 6.42825   11.32366  1.000 50.09296  ? 119 ALA   A HB2  1 
ATOM   1518 H  HB3  . ALA   A 1 119 ? -9.85128  7.44675   10.53618  1.000 50.09296  ? 119 ALA   A HB3  1 
ATOM   1519 N  N    . TRP   A 1 120 ? -6.87475  7.22471   10.64695  1.000 39.62763  ? 120 TRP   A N    1 
ATOM   1520 C  CA   . TRP   A 1 120 ? -5.75169  7.43909   9.74912   1.000 36.75272  ? 120 TRP   A CA   1 
ATOM   1521 C  C    . TRP   A 1 120 ? -4.67335  6.39587   9.93341   1.000 35.95776  ? 120 TRP   A C    1 
ATOM   1522 O  O    . TRP   A 1 120 ? -3.94973  6.10276   8.97139   1.000 37.85610  ? 120 TRP   A O    1 
ATOM   1523 C  CB   . TRP   A 1 120 ? -5.17336  8.82636   9.95570   1.000 41.21873  ? 120 TRP   A CB   1 
ATOM   1524 C  CG   . TRP   A 1 120 ? -4.50367  8.96453   11.26980  1.000 43.04231  ? 120 TRP   A CG   1 
ATOM   1525 C  CD1  . TRP   A 1 120 ? -5.07176  9.34135   12.44628  1.000 45.87541  ? 120 TRP   A CD1  1 
ATOM   1526 C  CD2  . TRP   A 1 120 ? -3.14929  8.67118   11.54918  1.000 41.08604  ? 120 TRP   A CD2  1 
ATOM   1527 N  NE1  . TRP   A 1 120 ? -4.13447  9.32247   13.44314  1.000 40.83679  ? 120 TRP   A NE1  1 
ATOM   1528 C  CE2  . TRP   A 1 120 ? -2.94282  8.91174   12.91587  1.000 43.55760  ? 120 TRP   A CE2  1 
ATOM   1529 C  CE3  . TRP   A 1 120 ? -2.08195  8.21583   10.77337  1.000 43.88182  ? 120 TRP   A CE3  1 
ATOM   1530 C  CZ2  . TRP   A 1 120 ? -1.71276  8.73691   13.52612  1.000 44.11513  ? 120 TRP   A CZ2  1 
ATOM   1531 C  CZ3  . TRP   A 1 120 ? -0.85146  8.04370   11.38309  1.000 42.04149  ? 120 TRP   A CZ3  1 
ATOM   1532 C  CH2  . TRP   A 1 120 ? -0.68059  8.31234   12.74883  1.000 44.21022  ? 120 TRP   A CH2  1 
ATOM   1533 H  H    . TRP   A 1 120 ? -7.04341  7.87335   11.18585  1.000 47.55316  ? 120 TRP   A H    1 
ATOM   1534 H  HA   . TRP   A 1 120 ? -6.06896  7.38455   8.83410   1.000 44.10327  ? 120 TRP   A HA   1 
ATOM   1535 H  HB2  . TRP   A 1 120 ? -4.51867  9.00422   9.26241   1.000 49.46248  ? 120 TRP   A HB2  1 
ATOM   1536 H  HB3  . TRP   A 1 120 ? -5.88948  9.47910   9.91107   1.000 49.46248  ? 120 TRP   A HB3  1 
ATOM   1537 H  HD1  . TRP   A 1 120 ? -5.96460  9.57690   12.55701  1.000 55.05049  ? 120 TRP   A HD1  1 
ATOM   1538 H  HE1  . TRP   A 1 120 ? -4.27260  9.53405   14.26518  1.000 49.00414  ? 120 TRP   A HE1  1 
ATOM   1539 H  HE3  . TRP   A 1 120 ? -2.19494  8.03255   9.86864   1.000 52.65819  ? 120 TRP   A HE3  1 
ATOM   1540 H  HZ2  . TRP   A 1 120 ? -1.59646  8.90352   14.43365  1.000 52.93815  ? 120 TRP   A HZ2  1 
ATOM   1541 H  HZ3  . TRP   A 1 120 ? -0.12807  7.74583   10.88022  1.000 50.44979  ? 120 TRP   A HZ3  1 
ATOM   1542 H  HH2  . TRP   A 1 120 ? 0.15883   8.19740   13.13233  1.000 53.05227  ? 120 TRP   A HH2  1 
ATOM   1543 N  N    . LYS   A 1 121 ? -4.58575  5.78993   11.12132  1.000 37.50840  ? 121 LYS   A N    1 
ATOM   1544 C  CA   . LYS   A 1 121 ? -3.63231  4.71785   11.36415  1.000 34.72824  ? 121 LYS   A CA   1 
ATOM   1545 C  C    . LYS   A 1 121 ? -4.28821  3.34194   11.50307  1.000 34.91287  ? 121 LYS   A C    1 
ATOM   1546 O  O    . LYS   A 1 121 ? -3.78646  2.48612   12.23458  1.000 39.03788  ? 121 LYS   A O    1 
ATOM   1547 C  CB   . LYS   A 1 121 ? -2.80628  5.02222   12.60401  1.000 37.15691  ? 121 LYS   A CB   1 
ATOM   1548 C  CG   . LYS   A 1 121 ? -3.61238  5.43150   13.81952  1.000 41.68716  ? 121 LYS   A CG   1 
ATOM   1549 C  CD   . LYS   A 1 121 ? -2.75800  5.21684   15.04743  1.000 48.56475  ? 121 LYS   A CD   1 
ATOM   1550 C  CE   . LYS   A 1 121 ? -3.15943  6.12790   16.18803  1.000 55.26955  ? 121 LYS   A CE   1 
ATOM   1551 N  NZ   . LYS   A 1 121 ? -2.47225  5.77055   17.46769  1.000 61.79997  ? 121 LYS   A NZ   1 
ATOM   1552 H  H    . LYS   A 1 121 ? -5.07313  5.98771   11.80172  1.000 45.01008  ? 121 LYS   A H    1 
ATOM   1553 H  HA   . LYS   A 1 121 ? -3.04480  4.67252   10.59364  1.000 41.67388  ? 121 LYS   A HA   1 
ATOM   1554 H  HB2  . LYS   A 1 121 ? -2.30338  4.22751   12.84153  1.000 44.58829  ? 121 LYS   A HB2  1 
ATOM   1555 H  HB3  . LYS   A 1 121 ? -2.19891  5.74999   12.39818  1.000 44.58829  ? 121 LYS   A HB3  1 
ATOM   1556 H  HG2  . LYS   A 1 121 ? -3.85395  6.36901   13.75950  1.000 50.02459  ? 121 LYS   A HG2  1 
ATOM   1557 H  HG3  . LYS   A 1 121 ? -4.41192  4.88664   13.88859  1.000 50.02459  ? 121 LYS   A HG3  1 
ATOM   1558 H  HD2  . LYS   A 1 121 ? -2.85358  4.29888   15.34592  1.000 58.27769  ? 121 LYS   A HD2  1 
ATOM   1559 H  HD3  . LYS   A 1 121 ? -1.83117  5.39919   14.82688  1.000 58.27769  ? 121 LYS   A HD3  1 
ATOM   1560 H  HE2  . LYS   A 1 121 ? -2.92337  7.04159   15.96365  1.000 66.32346  ? 121 LYS   A HE2  1 
ATOM   1561 H  HE3  . LYS   A 1 121 ? -4.11648  6.05772   16.32961  1.000 66.32346  ? 121 LYS   A HE3  1 
ATOM   1562 H  HZ1  . LYS   A 1 121 ? -2.72550  6.32663   18.11479  1.000 74.15997  ? 121 LYS   A HZ1  1 
ATOM   1563 H  HZ2  . LYS   A 1 121 ? -2.68173  4.93834   17.70361  1.000 74.15997  ? 121 LYS   A HZ2  1 
ATOM   1564 H  HZ3  . LYS   A 1 121 ? -1.58999  5.82850   17.36592  1.000 74.15997  ? 121 LYS   A HZ3  1 
ATOM   1565 N  N    . SER   A 1 122 ? -5.37453  3.08996   10.76486  1.000 34.38893  ? 122 SER   A N    1 
ATOM   1566 C  CA   . SER   A 1 122 ? -6.08716  1.82859   10.88782  1.000 29.93318  ? 122 SER   A CA   1 
ATOM   1567 C  C    . SER   A 1 122 ? -5.47480  0.70268   10.07997  1.000 32.42034  ? 122 SER   A C    1 
ATOM   1568 O  O    . SER   A 1 122 ? -5.80731  -0.45750  10.34394  1.000 29.89800  ? 122 SER   A O    1 
ATOM   1569 C  CB   . SER   A 1 122 ? -7.53971  1.99072   10.42546  1.000 35.09384  ? 122 SER   A CB   1 
ATOM   1570 O  OG   . SER   A 1 122 ? -7.56325  2.29451   9.02490   1.000 34.72177  ? 122 SER   A OG   1 
ATOM   1571 H  H    . SER   A 1 122 ? -5.71227  3.63384   10.19064  1.000 41.26672  ? 122 SER   A H    1 
ATOM   1572 H  HA   . SER   A 1 122 ? -6.06956  1.58201   11.82579  1.000 35.91982  ? 122 SER   A HA   1 
ATOM   1573 H  HB2  . SER   A 1 122 ? -8.02135  1.16362   10.58304  1.000 42.11261  ? 122 SER   A HB2  1 
ATOM   1574 H  HB3  . SER   A 1 122 ? -7.95494  2.71553   10.91855  1.000 42.11261  ? 122 SER   A HB3  1 
ATOM   1575 H  HG   . SER   A 1 122 ? -7.28894  1.63479   8.58317   0.000 41.66612  ? 122 SER   A HG   1 
ATOM   1576 N  N    . THR   A 1 123 ? -4.62803  0.99323   9.09011   1.000 29.55934  ? 123 THR   A N    1 
ATOM   1577 C  CA   . THR   A 1 123 ? -4.32305  -0.00041  8.06214   1.000 26.40800  ? 123 THR   A CA   1 
ATOM   1578 C  C    . THR   A 1 123 ? -2.82415  -0.19327  7.88042   1.000 28.64711  ? 123 THR   A C    1 
ATOM   1579 O  O    . THR   A 1 123 ? -2.10333  0.74123   7.49578   1.000 29.09844  ? 123 THR   A O    1 
ATOM   1580 C  CB   . THR   A 1 123 ? -4.97172  0.39540   6.72572   1.000 30.10483  ? 123 THR   A CB   1 
ATOM   1581 O  OG1  . THR   A 1 123 ? -6.38037  0.61076   6.88921   1.000 33.50125  ? 123 THR   A OG1  1 
ATOM   1582 C  CG2  . THR   A 1 123 ? -4.77517  -0.67694  5.69320   1.000 29.78910  ? 123 THR   A CG2  1 
ATOM   1583 H  H    . THR   A 1 123 ? -4.22525  1.74719   8.99570   1.000 35.47121  ? 123 THR   A H    1 
ATOM   1584 H  HA   . THR   A 1 123 ? -4.66872  -0.85386  8.36716   1.000 31.68960  ? 123 THR   A HA   1 
ATOM   1585 H  HB   . THR   A 1 123 ? -4.55150  1.21390   6.41854   1.000 36.12580  ? 123 THR   A HB   1 
ATOM   1586 H  HG1  . THR   A 1 123 ? -6.70884  0.00812   7.37349   0.000 40.20150  ? 123 THR   A HG1  1 
ATOM   1587 H  HG21 . THR   A 1 123 ? -5.37821  -0.53359  4.94708   1.000 35.74692  ? 123 THR   A HG21 1 
ATOM   1588 H  HG22 . THR   A 1 123 ? -4.95534  -1.54769  6.08079   1.000 35.74692  ? 123 THR   A HG22 1 
ATOM   1589 H  HG23 . THR   A 1 123 ? -3.86169  -0.66030  5.36735   1.000 35.74692  ? 123 THR   A HG23 1 
ATOM   1590 N  N    . LEU   A 1 124 ? -2.36535  -1.41189  8.15203   1.000 28.19947  ? 124 LEU   A N    1 
ATOM   1591 C  CA   . LEU   A 1 124 ? -1.00724  -1.84449  7.87499   1.000 26.09869  ? 124 LEU   A CA   1 
ATOM   1592 C  C    . LEU   A 1 124 ? -0.91468  -2.43427  6.47614   1.000 27.23242  ? 124 LEU   A C    1 
ATOM   1593 O  O    . LEU   A 1 124 ? -1.87407  -3.02583  5.96145   1.000 27.87801  ? 124 LEU   A O    1 
ATOM   1594 C  CB   . LEU   A 1 124 ? -0.57037  -2.90073  8.88767   1.000 24.83369  ? 124 LEU   A CB   1 
ATOM   1595 C  CG   . LEU   A 1 124 ? -0.43983  -2.44133  10.33407  1.000 28.74382  ? 124 LEU   A CG   1 
ATOM   1596 C  CD1  . LEU   A 1 124 ? -0.36739  -3.62852  11.23975  1.000 33.90630  ? 124 LEU   A CD1  1 
ATOM   1597 C  CD2  . LEU   A 1 124 ? 0.77992   -1.55375  10.48862  1.000 32.32833  ? 124 LEU   A CD2  1 
ATOM   1598 H  H    . LEU   A 1 124 ? -2.84411  -2.02910  8.51181   1.000 33.83937  ? 124 LEU   A H    1 
ATOM   1599 H  HA   . LEU   A 1 124 ? -0.40917  -1.08313  7.93460   1.000 31.31843  ? 124 LEU   A HA   1 
ATOM   1600 H  HB2  . LEU   A 1 124 ? -1.22300  -3.61822  8.87412   1.000 29.80043  ? 124 LEU   A HB2  1 
ATOM   1601 H  HB3  . LEU   A 1 124 ? 0.29793   -3.23689  8.61573   1.000 29.80043  ? 124 LEU   A HB3  1 
ATOM   1602 H  HG   . LEU   A 1 124 ? -1.21725  -1.92037  10.58924  1.000 34.49258  ? 124 LEU   A HG   1 
ATOM   1603 H  HD11 . LEU   A 1 124 ? -0.42209  -3.32735  12.16019  1.000 40.68756  ? 124 LEU   A HD11 1 
ATOM   1604 H  HD12 . LEU   A 1 124 ? 0.47394   -4.08796  11.09149  1.000 40.68756  ? 124 LEU   A HD12 1 
ATOM   1605 H  HD13 . LEU   A 1 124 ? -1.10811  -4.22261  11.04153  1.000 40.68756  ? 124 LEU   A HD13 1 
ATOM   1606 H  HD21 . LEU   A 1 124 ? 0.77299   -0.88273  9.78821   1.000 38.79399  ? 124 LEU   A HD21 1 
ATOM   1607 H  HD22 . LEU   A 1 124 ? 1.57869   -2.09930  10.41615  1.000 38.79399  ? 124 LEU   A HD22 1 
ATOM   1608 H  HD23 . LEU   A 1 124 ? 0.75015   -1.12470  11.35806  1.000 38.79399  ? 124 LEU   A HD23 1 
ATOM   1609 N  N    . VAL   A 1 125 ? 0.27475   -2.31488  5.88738   1.000 28.09414  ? 125 VAL   A N    1 
ATOM   1610 C  CA   . VAL   A 1 125 ? 0.59482   -2.90792  4.59514   1.000 24.97323  ? 125 VAL   A CA   1 
ATOM   1611 C  C    . VAL   A 1 125 ? 1.84029   -3.77980  4.71960   1.000 26.19792  ? 125 VAL   A C    1 
ATOM   1612 O  O    . VAL   A 1 125 ? 2.75502   -3.49730  5.50533   1.000 28.94874  ? 125 VAL   A O    1 
ATOM   1613 C  CB   . VAL   A 1 125 ? 0.79055   -1.81711  3.51858   1.000 28.15610  ? 125 VAL   A CB   1 
ATOM   1614 C  CG1  . VAL   A 1 125 ? 1.98529   -0.91597  3.84828   1.000 31.22495  ? 125 VAL   A CG1  1 
ATOM   1615 C  CG2  . VAL   A 1 125 ? 0.93718   -2.44601  2.14597   1.000 30.16043  ? 125 VAL   A CG2  1 
ATOM   1616 H  H    . VAL   A 1 125 ? 0.93249   -1.88003  6.23072   1.000 33.71296  ? 125 VAL   A H    1 
ATOM   1617 H  HA   . VAL   A 1 125 ? -0.13345  -3.48946  4.32619   1.000 29.96787  ? 125 VAL   A HA   1 
ATOM   1618 H  HB   . VAL   A 1 125 ? 0.00254   -1.25161  3.50613   1.000 33.78732  ? 125 VAL   A HB   1 
ATOM   1619 H  HG11 . VAL   A 1 125 ? 2.80117   -1.35628  3.56300   1.000 37.46995  ? 125 VAL   A HG11 1 
ATOM   1620 H  HG12 . VAL   A 1 125 ? 2.00994   -0.76189  4.80564   1.000 37.46995  ? 125 VAL   A HG12 1 
ATOM   1621 H  HG13 . VAL   A 1 125 ? 1.88344   -0.07260  3.38003   1.000 37.46995  ? 125 VAL   A HG13 1 
ATOM   1622 H  HG21 . VAL   A 1 125 ? 0.20934   -2.14350  1.58061   1.000 36.19252  ? 125 VAL   A HG21 1 
ATOM   1623 H  HG22 . VAL   A 1 125 ? 0.90684   -3.41134  2.23602   1.000 36.19252  ? 125 VAL   A HG22 1 
ATOM   1624 H  HG23 . VAL   A 1 125 ? 1.78694   -2.17597  1.76401   1.000 36.19252  ? 125 VAL   A HG23 1 
ATOM   1625 N  N    . GLY   A 1 126 ? 1.85860   -4.85849  3.95412   1.000 24.39583  ? 126 GLY   A N    1 
ATOM   1626 C  CA   . GLY   A 1 126 ? 2.96972   -5.78064  3.96493   1.000 25.84430  ? 126 GLY   A CA   1 
ATOM   1627 C  C    . GLY   A 1 126 ? 2.95971   -6.66792  2.73215   1.000 28.43980  ? 126 GLY   A C    1 
ATOM   1628 O  O    . GLY   A 1 126 ? 2.18554   -6.46817  1.78973   1.000 28.42417  ? 126 GLY   A O    1 
ATOM   1629 H  H    . GLY   A 1 126 ? 1.22824   -5.07930  3.41237   1.000 29.27500  ? 126 GLY   A H    1 
ATOM   1630 H  HA2  . GLY   A 1 126 ? 3.80379   -5.28581  3.98433   1.000 31.01316  ? 126 GLY   A HA2  1 
ATOM   1631 H  HA3  . GLY   A 1 126 ? 2.91824   -6.34382  4.75301   1.000 31.01316  ? 126 GLY   A HA3  1 
ATOM   1632 N  N    . HIS   A 1 127 ? 3.81120   -7.68053  2.76605   1.000 31.95738  ? 127 HIS   A N    1 
ATOM   1633 C  CA   . HIS   A 1 127 ? 3.92229   -8.62511  1.67287   1.000 33.34330  ? 127 HIS   A CA   1 
ATOM   1634 C  C    . HIS   A 1 127 ? 4.23039   -10.00918 2.21535   1.000 31.96722  ? 127 HIS   A C    1 
ATOM   1635 O  O    . HIS   A 1 127 ? 4.85706   -10.16786 3.27156   1.000 37.06721  ? 127 HIS   A O    1 
ATOM   1636 C  CB   . HIS   A 1 127 ? 5.01396   -8.16789  0.68830   1.000 36.86104  ? 127 HIS   A CB   1 
ATOM   1637 C  CG   . HIS   A 1 127 ? 6.30643   -7.82639  1.35573   1.000 42.31222  ? 127 HIS   A CG   1 
ATOM   1638 N  ND1  . HIS   A 1 127 ? 7.32610   -8.73788  1.49197   1.000 45.14805  ? 127 HIS   A ND1  1 
ATOM   1639 C  CD2  . HIS   A 1 127 ? 6.73479   -6.68824  1.95527   1.000 44.24550  ? 127 HIS   A CD2  1 
ATOM   1640 C  CE1  . HIS   A 1 127 ? 8.33831   -8.17053  2.12260   1.000 47.79801  ? 127 HIS   A CE1  1 
ATOM   1641 N  NE2  . HIS   A 1 127 ? 8.00425   -6.92760  2.41601   1.000 48.50017  ? 127 HIS   A NE2  1 
ATOM   1642 H  H    . HIS   A 1 127 ? 4.34278   -7.84254  3.42239   1.000 38.34886  ? 127 HIS   A H    1 
ATOM   1643 H  HA   . HIS   A 1 127 ? 3.07959   -8.69414  1.19749   1.000 40.01196  ? 127 HIS   A HA   1 
ATOM   1644 H  HB2  . HIS   A 1 127 ? 5.18513   -8.88294  0.05560   1.000 44.23325  ? 127 HIS   A HB2  1 
ATOM   1645 H  HB3  . HIS   A 1 127 ? 4.70268   -7.37770  0.21967   1.000 44.23325  ? 127 HIS   A HB3  1 
ATOM   1646 H  HD2  . HIS   A 1 127 ? 6.25750   -5.89441  2.03846   1.000 53.09461  ? 127 HIS   A HD2  1 
ATOM   1647 H  HE1  . HIS   A 1 127 ? 9.14935   -8.57782  2.32566   1.000 57.35761  ? 127 HIS   A HE1  1 
ATOM   1648 H  HE2  . HIS   A 1 127 ? 8.50161   -6.36032  2.82884   0.000 58.20020  ? 127 HIS   A HE2  1 
ATOM   1649 N  N    . ASP   A 1 128 ? 3.70055   -11.01274 1.52071   1.000 30.06477  ? 128 ASP   A N    1 
ATOM   1650 C  CA   . ASP   A 1 128 ? 3.91133   -12.41565 1.85089   1.000 31.74545  ? 128 ASP   A CA   1 
ATOM   1651 C  C    . ASP   A 1 128 ? 4.22107   -13.16440 0.56962   1.000 28.89805  ? 128 ASP   A C    1 
ATOM   1652 O  O    . ASP   A 1 128 ? 3.53437   -12.96639 -0.43873  1.000 30.02691  ? 128 ASP   A O    1 
ATOM   1653 C  CB   . ASP   A 1 128 ? 2.66772   -13.07507 2.46852   1.000 37.54113  ? 128 ASP   A CB   1 
ATOM   1654 C  CG   . ASP   A 1 128 ? 2.58401   -12.91377 3.96007   1.000 42.69248  ? 128 ASP   A CG   1 
ATOM   1655 O  OD1  . ASP   A 1 128 ? 3.63770   -12.95519 4.62506   1.000 50.62746  ? 128 ASP   A OD1  1 
ATOM   1656 O  OD2  . ASP   A 1 128 ? 1.45302   -12.75795 4.46219   1.000 38.50295  ? 128 ASP   A OD2  1 
ATOM   1657 H  H    . ASP   A 1 128 ? 3.19885   -10.90095 0.83122   1.000 36.07772  ? 128 ASP   A H    1 
ATOM   1658 H  HA   . ASP   A 1 128 ? 4.64536   -12.47442 2.48228   1.000 38.09453  ? 128 ASP   A HA   1 
ATOM   1659 H  HB2  . ASP   A 1 128 ? 1.87460   -12.67269 2.08128   1.000 45.04936  ? 128 ASP   A HB2  1 
ATOM   1660 H  HB3  . ASP   A 1 128 ? 2.68694   -14.02499 2.27312   1.000 45.04936  ? 128 ASP   A HB3  1 
ATOM   1661 N  N    . THR   A 1 129 ? 5.19795   -14.05149 0.62062   1.000 31.95724  ? 129 THR   A N    1 
ATOM   1662 C  CA   . THR   A 1 129 ? 5.47235   -14.98333 -0.46596  1.000 30.36294  ? 129 THR   A CA   1 
ATOM   1663 C  C    . THR   A 1 129 ? 5.16064   -16.38415 0.02297   1.000 28.83617  ? 129 THR   A C    1 
ATOM   1664 O  O    . THR   A 1 129 ? 5.75685   -16.85661 0.99904   1.000 32.37765  ? 129 THR   A O    1 
ATOM   1665 C  CB   . THR   A 1 129 ? 6.92347   -14.90192 -0.92732  1.000 38.14537  ? 129 THR   A CB   1 
ATOM   1666 O  OG1  A THR   A 1 129 ? 7.21312   -13.56484 -1.31641  1.000 46.31655  ? 129 THR   A OG1  1 
ATOM   1667 O  OG1  B THR   A 1 129 ? 7.21536   -13.55937 -1.34176  0.000 38.01801  ? 129 THR   A OG1  1 
ATOM   1668 C  CG2  A THR   A 1 129 ? 7.14642   -15.84909 -2.08644  1.000 41.04022  ? 129 THR   A CG2  1 
ATOM   1669 C  CG2  B THR   A 1 129 ? 7.17359   -15.85400 -2.09179  0.000 38.01801  ? 129 THR   A CG2  1 
ATOM   1670 H  H    . THR   A 1 129 ? 5.73095   -14.13768 1.29001   1.000 38.34869  ? 129 THR   A H    1 
ATOM   1671 H  HA   . THR   A 1 129 ? 4.90436   -14.76831 -1.22231  1.000 36.43553  ? 129 THR   A HA   1 
ATOM   1672 H  HB   . THR   A 1 129 ? 7.52563   -15.15737 -0.21105  1.000 45.77444  ? 129 THR   A HB   1 
ATOM   1673 H  HG1  A THR   A 1 129 ? 8.01344   -13.50474 -1.56436  1.000 55.57986  ? 129 THR   A HG1  1 
ATOM   1674 H  HG1  B THR   A 1 129 ? 8.01482   -13.50381 -1.59351  0.000 45.62162  ? 129 THR   A HG1  1 
ATOM   1675 H  HG21 A THR   A 1 129 ? 7.86586   -15.52174 -2.64872  1.000 49.24826  ? 129 THR   A HG21 1 
ATOM   1676 H  HG21 B THR   A 1 129 ? 7.90522   -15.52566 -2.63752  0.000 45.62162  ? 129 THR   A HG21 1 
ATOM   1677 H  HG22 A THR   A 1 129 ? 6.33812   -15.91874 -2.61815  1.000 49.24826  ? 129 THR   A HG22 1 
ATOM   1678 H  HG22 B THR   A 1 129 ? 6.37716   -15.92254 -2.64124  0.000 45.62162  ? 129 THR   A HG22 1 
ATOM   1679 H  HG23 A THR   A 1 129 ? 7.38188   -16.72967 -1.75475  1.000 49.24826  ? 129 THR   A HG23 1 
ATOM   1680 H  HG23 B THR   A 1 129 ? 7.40166   -16.73525 -1.75670  0.000 45.62162  ? 129 THR   A HG23 1 
ATOM   1681 N  N    . PHE   A 1 130 ? 4.25092   -17.05663 -0.66117  1.000 30.29213  ? 130 PHE   A N    1 
ATOM   1682 C  CA   . PHE   A 1 130 ? 3.83945   -18.39424 -0.27269  1.000 32.57579  ? 130 PHE   A CA   1 
ATOM   1683 C  C    . PHE   A 1 130 ? 4.46928   -19.43210 -1.18460  1.000 31.65175  ? 130 PHE   A C    1 
ATOM   1684 O  O    . PHE   A 1 130 ? 4.57101   -19.22045 -2.39700  1.000 34.90897  ? 130 PHE   A O    1 
ATOM   1685 C  CB   . PHE   A 1 130 ? 2.31931   -18.53005 -0.31166  1.000 33.24923  ? 130 PHE   A CB   1 
ATOM   1686 C  CG   . PHE   A 1 130 ? 1.62012   -17.66586 0.68144   1.000 30.72519  ? 130 PHE   A CG   1 
ATOM   1687 C  CD1  . PHE   A 1 130 ? 1.27591   -16.36166 0.36772   1.000 30.43263  ? 130 PHE   A CD1  1 
ATOM   1688 C  CD2  . PHE   A 1 130 ? 1.28066   -18.16049 1.91475   1.000 28.11832  ? 130 PHE   A CD2  1 
ATOM   1689 C  CE1  . PHE   A 1 130 ? 0.65065   -15.53718 1.27901   1.000 30.27893  ? 130 PHE   A CE1  1 
ATOM   1690 C  CE2  . PHE   A 1 130 ? 0.63737   -17.35458 2.83111   1.000 31.29525  ? 130 PHE   A CE2  1 
ATOM   1691 C  CZ   . PHE   A 1 130 ? 0.32558   -16.02302 2.50661   1.000 31.94027  ? 130 PHE   A CZ   1 
ATOM   1692 H  H    . PHE   A 1 130 ? 3.85305   -16.75618 -1.36191  1.000 36.35055  ? 130 PHE   A H    1 
ATOM   1693 H  HA   . PHE   A 1 130 ? 4.14129   -18.56574 0.63306   1.000 39.09095  ? 130 PHE   A HA   1 
ATOM   1694 H  HB2  . PHE   A 1 130 ? 2.00545   -18.28137 -1.19515  1.000 39.89908  ? 130 PHE   A HB2  1 
ATOM   1695 H  HB3  . PHE   A 1 130 ? 2.08249   -19.45152 -0.12265  1.000 39.89908  ? 130 PHE   A HB3  1 
ATOM   1696 H  HD1  . PHE   A 1 130 ? 1.47166   -16.03324 -0.48006  1.000 36.51915  ? 130 PHE   A HD1  1 
ATOM   1697 H  HD2  . PHE   A 1 130 ? 1.48456   -19.04104 2.13374   1.000 33.74198  ? 130 PHE   A HD2  1 
ATOM   1698 H  HE1  . PHE   A 1 130 ? 0.45295   -14.65625 1.05590   1.000 36.33471  ? 130 PHE   A HE1  1 
ATOM   1699 H  HE2  . PHE   A 1 130 ? 0.40918   -17.69351 3.66654   1.000 37.55430  ? 130 PHE   A HE2  1 
ATOM   1700 H  HZ   . PHE   A 1 130 ? -0.10048  -15.47759 3.12780   1.000 38.32832  ? 130 PHE   A HZ   1 
ATOM   1701 N  N    . THR   A 1 131 ? 4.93045   -20.52411 -0.58087  1.000 33.82727  ? 131 THR   A N    1 
ATOM   1702 C  CA   . THR   A 1 131 ? 5.48442   -21.66508 -1.29526  1.000 36.15294  ? 131 THR   A CA   1 
ATOM   1703 C  C    . THR   A 1 131 ? 4.77148   -22.93671 -0.86991  1.000 31.85508  ? 131 THR   A C    1 
ATOM   1704 O  O    . THR   A 1 131 ? 4.10480   -22.98291 0.16443   1.000 33.51499  ? 131 THR   A O    1 
ATOM   1705 C  CB   . THR   A 1 131 ? 6.98208   -21.84537 -1.03082  1.000 41.36226  ? 131 THR   A CB   1 
ATOM   1706 O  OG1  . THR   A 1 131 ? 7.21205   -22.03042 0.37334   1.000 46.53012  ? 131 THR   A OG1  1 
ATOM   1707 C  CG2  . THR   A 1 131 ? 7.75864   -20.62135 -1.53003  1.000 44.71919  ? 131 THR   A CG2  1 
ATOM   1708 H  H    . THR   A 1 131 ? 4.93211   -20.62905 0.27270   1.000 40.59272  ? 131 THR   A H    1 
ATOM   1709 H  HA   . THR   A 1 131 ? 5.34361   -21.51304 -2.24287  1.000 43.38353  ? 131 THR   A HA   1 
ATOM   1710 H  HB   . THR   A 1 131 ? 7.30575   -22.62704 -1.50531  1.000 49.63471  ? 131 THR   A HB   1 
ATOM   1711 H  HG1  . THR   A 1 131 ? 7.90898   -22.48380 0.49303   0.000 55.83615  ? 131 THR   A HG1  1 
ATOM   1712 H  HG21 . THR   A 1 131 ? 7.75932   -20.60177 -2.49983  1.000 53.66303  ? 131 THR   A HG21 1 
ATOM   1713 H  HG22 . THR   A 1 131 ? 8.67538   -20.65905 -1.21528  1.000 53.66303  ? 131 THR   A HG22 1 
ATOM   1714 H  HG23 . THR   A 1 131 ? 7.34535   -19.80861 -1.19905  1.000 53.66303  ? 131 THR   A HG23 1 
ATOM   1715 N  N    . LYS   A 1 132 ? 4.95431   -23.99866 -1.66184  1.000 36.41486  ? 132 LYS   A N    1 
ATOM   1716 C  CA   . LYS   A 1 132 ? 4.39393   -25.29099 -1.31653  1.000 38.13031  ? 132 LYS   A CA   1 
ATOM   1717 C  C    . LYS   A 1 132 ? 5.21332   -26.05246 -0.28011  1.000 41.63802  ? 132 LYS   A C    1 
ATOM   1718 O  O    . LYS   A 1 132 ? 4.72366   -27.06065 0.24089   1.000 41.46234  ? 132 LYS   A O    1 
ATOM   1719 C  CB   . LYS   A 1 132 ? 4.27211   -26.15205 -2.56658  1.000 39.69935  ? 132 LYS   A CB   1 
ATOM   1720 C  CG   . LYS   A 1 132 ? 3.29705   -25.61753 -3.58932  1.000 47.55494  ? 132 LYS   A CG   1 
ATOM   1721 C  CD   . LYS   A 1 132 ? 1.94630   -26.36532 -3.53199  1.000 60.11790  ? 132 LYS   A CD   1 
ATOM   1722 C  CE   . LYS   A 1 132 ? 1.17570   -26.21177 -4.85854  1.000 69.49162  ? 132 LYS   A CE   1 
ATOM   1723 N  NZ   . LYS   A 1 132 ? -0.32456  -26.36844 -4.74622  1.000 71.39645  ? 132 LYS   A NZ   1 
ATOM   1724 H  H    . LYS   A 1 132 ? 5.39779   -23.98820 -2.39860  1.000 43.69783  ? 132 LYS   A H    1 
ATOM   1725 H  HA   . LYS   A 1 132 ? 3.50880   -25.14443 -0.94780  1.000 45.75637  ? 132 LYS   A HA   1 
ATOM   1726 H  HB2  . LYS   A 1 132 ? 5.14264   -26.20910 -2.99063  1.000 47.63922  ? 132 LYS   A HB2  1 
ATOM   1727 H  HB3  . LYS   A 1 132 ? 3.97122   -27.03673 -2.30638  1.000 47.63922  ? 132 LYS   A HB3  1 
ATOM   1728 H  HG2  . LYS   A 1 132 ? 3.13236   -24.67760 -3.41520  1.000 57.06593  ? 132 LYS   A HG2  1 
ATOM   1729 H  HG3  . LYS   A 1 132 ? 3.66989   -25.73001 -4.47771  1.000 57.06593  ? 132 LYS   A HG3  1 
ATOM   1730 H  HD2  . LYS   A 1 132 ? 2.10549   -27.30946 -3.37653  1.000 72.14147  ? 132 LYS   A HD2  1 
ATOM   1731 H  HD3  . LYS   A 1 132 ? 1.40335   -25.99827 -2.81688  1.000 72.14147  ? 132 LYS   A HD3  1 
ATOM   1732 H  HE2  . LYS   A 1 132 ? 1.34937   -25.32645 -5.21484  1.000 83.38994  ? 132 LYS   A HE2  1 
ATOM   1733 H  HE3  . LYS   A 1 132 ? 1.49258   -26.88699 -5.47867  1.000 83.38994  ? 132 LYS   A HE3  1 
ATOM   1734 H  HZ1  . LYS   A 1 132 ? -0.52394  -27.18151 -4.44412  1.000 85.67574  ? 132 LYS   A HZ1  1 
ATOM   1735 H  HZ2  . LYS   A 1 132 ? -0.70294  -26.25586 -5.54388  1.000 85.67574  ? 132 LYS   A HZ2  1 
ATOM   1736 H  HZ3  . LYS   A 1 132 ? -0.65256  -25.76252 -4.18285  1.000 85.67574  ? 132 LYS   A HZ3  1 
ATOM   1737 N  N    . VAL   A 1 133 ? 6.42641   -25.60263 0.03675   1.000 46.86292  ? 133 VAL   A N    1 
ATOM   1738 C  CA   . VAL   A 1 133 ? 7.29037   -26.27096 1.00526   1.000 50.30966  ? 133 VAL   A CA   1 
ATOM   1739 C  C    . VAL   A 1 133 ? 7.53175   -25.35305 2.20815   1.000 51.72627  ? 133 VAL   A C    1 
ATOM   1740 O  O    . VAL   A 1 133 ? 7.40935   -24.12815 2.12231   1.000 53.88999  ? 133 VAL   A O    1 
ATOM   1741 C  CB   . VAL   A 1 133 ? 8.62619   -26.69276 0.36178   1.000 54.42050  ? 133 VAL   A CB   1 
ATOM   1742 C  CG1  . VAL   A 1 133 ? 8.37636   -27.49239 -0.89000  1.000 58.50460  ? 133 VAL   A CG1  1 
ATOM   1743 C  CG2  . VAL   A 1 133 ? 9.44990   -25.45548 0.03073   1.000 58.78683  ? 133 VAL   A CG2  1 
ATOM   1744 H  H    . VAL   A 1 133 ? 6.77839   -24.89592 -0.30422  1.000 56.23551  ? 133 VAL   A H    1 
ATOM   1745 H  HA   . VAL   A 1 133 ? 6.83628   -27.06105 1.33762   1.000 60.37160  ? 133 VAL   A HA   1 
ATOM   1746 H  HB   . VAL   A 1 133 ? 9.12059   -27.24650 0.98616   1.000 65.30460  ? 133 VAL   A HB   1 
ATOM   1747 H  HG11 . VAL   A 1 133 ? 7.84821   -28.27430 -0.66511  1.000 70.20552  ? 133 VAL   A HG11 1 
ATOM   1748 H  HG12 . VAL   A 1 133 ? 9.22801   -27.76532 -1.26563  1.000 70.20552  ? 133 VAL   A HG12 1 
ATOM   1749 H  HG13 . VAL   A 1 133 ? 7.89571   -26.94048 -1.52662  1.000 70.20552  ? 133 VAL   A HG13 1 
ATOM   1750 H  HG21 . VAL   A 1 133 ? 8.93636   -24.88311 -0.56052  1.000 70.54420  ? 133 VAL   A HG21 1 
ATOM   1751 H  HG22 . VAL   A 1 133 ? 10.27117  -25.73043 -0.40609  1.000 70.54420  ? 133 VAL   A HG22 1 
ATOM   1752 H  HG23 . VAL   A 1 133 ? 9.65463   -24.98313 0.85284   1.000 70.54420  ? 133 VAL   A HG23 1 
ATOM   1753 N  N    . LYS   A 1 134 ? 7.86040   -25.97561 3.34963   1.000 57.06768  ? 134 LYS   A N    1 
ATOM   1754 C  CA   . LYS   A 1 134 ? 8.25621   -25.32835 4.62044   1.000 63.78278  ? 134 LYS   A CA   1 
ATOM   1755 C  C    . LYS   A 1 134 ? 7.05793   -25.39386 5.57558   1.000 68.24315  ? 134 LYS   A C    1 
ATOM   1756 O  O    . LYS   A 1 134 ? 6.79816   -26.42923 6.20709   1.000 67.26608  ? 134 LYS   A O    1 
ATOM   1757 C  CB   . LYS   A 1 134 ? 8.72576   -23.89037 4.43660   1.000 65.49850  ? 134 LYS   A CB   1 
ATOM   1758 C  CG   . LYS   A 1 134 ? 9.50020   -23.30325 5.65269   1.000 68.03559  ? 134 LYS   A CG   1 
ATOM   1759 C  CD   . LYS   A 1 134 ? 10.36010  -24.34628 6.41029   1.000 71.24121  ? 134 LYS   A CD   1 
ATOM   1760 C  CE   . LYS   A 1 134 ? 11.66903  -23.76298 6.96332   1.000 73.77801  ? 134 LYS   A CE   1 
ATOM   1761 N  NZ   . LYS   A 1 134 ? 12.29940  -24.63771 8.00665   1.000 75.75972  ? 134 LYS   A NZ   1 
ATOM   1762 H  H    . LYS   A 1 134 ? 7.86362   -26.83238 3.42409   1.000 68.48122  ? 134 LYS   A H    1 
ATOM   1763 H  HA   . LYS   A 1 134 ? 9.02084   -25.79012 4.99862   1.000 76.53933  ? 134 LYS   A HA   1 
ATOM   1764 H  HB2  . LYS   A 1 134 ? 9.31646   -23.85422 3.66805   1.000 78.59820  ? 134 LYS   A HB2  1 
ATOM   1765 H  HB3  . LYS   A 1 134 ? 7.94940   -23.32895 4.28503   1.000 78.59820  ? 134 LYS   A HB3  1 
ATOM   1766 H  HG2  . LYS   A 1 134 ? 10.09440  -22.60463 5.33684   1.000 81.64271  ? 134 LYS   A HG2  1 
ATOM   1767 H  HG3  . LYS   A 1 134 ? 8.86053   -22.93522 6.28220   1.000 81.64271  ? 134 LYS   A HG3  1 
ATOM   1768 H  HD2  . LYS   A 1 134 ? 9.84877   -24.69238 7.15839   1.000 85.48945  ? 134 LYS   A HD2  1 
ATOM   1769 H  HD3  . LYS   A 1 134 ? 10.58854  -25.06714 5.80277   1.000 85.48945  ? 134 LYS   A HD3  1 
ATOM   1770 H  HE2  . LYS   A 1 134 ? 12.30213  -23.66079 6.23555   1.000 88.53361  ? 134 LYS   A HE2  1 
ATOM   1771 H  HE3  . LYS   A 1 134 ? 11.48525  -22.90022 7.36676   1.000 88.53361  ? 134 LYS   A HE3  1 
ATOM   1772 H  HZ1  . LYS   A 1 134 ? 13.06914  -24.28227 8.27732   1.000 90.91166  ? 134 LYS   A HZ1  1 
ATOM   1773 H  HZ2  . LYS   A 1 134 ? 11.75564  -24.71657 8.70680   1.000 90.91166  ? 134 LYS   A HZ2  1 
ATOM   1774 H  HZ3  . LYS   A 1 134 ? 12.45709  -25.44671 7.67085   1.000 90.91166  ? 134 LYS   A HZ3  1 
HETATM 1775 C  C02  . A1ICD B 2 .   ? 0.64488   -13.30121 7.95230   1.000 64.28915  ? 201 A1ICD A C02  1 
HETATM 1776 C  C04  . A1ICD B 2 .   ? 0.37312   -11.40103 9.14253   1.000 55.36634  ? 201 A1ICD A C04  1 
HETATM 1777 C  C05  . A1ICD B 2 .   ? 0.62159   -11.13210 7.50786   1.000 56.15090  ? 201 A1ICD A C05  1 
HETATM 1778 C  C06  . A1ICD B 2 .   ? -0.37330  -10.54747 7.10360   1.000 55.07571  ? 201 A1ICD A C06  1 
HETATM 1779 C  C09  . A1ICD B 2 .   ? -0.86935  -10.84734 9.42050   1.000 57.54733  ? 201 A1ICD A C09  1 
HETATM 1780 C  C10  . A1ICD B 2 .   ? -1.59656  -11.70848 10.41348  1.000 54.47367  ? 201 A1ICD A C10  1 
HETATM 1781 C  C11  . A1ICD B 2 .   ? -1.65939  -11.07716 11.90212  1.000 51.80070  ? 201 A1ICD A C11  1 
HETATM 1782 C  C12  . A1ICD B 2 .   ? -2.30484  -12.12246 12.97577  1.000 52.12223  ? 201 A1ICD A C12  1 
HETATM 1783 C  C13  . A1ICD B 2 .   ? -3.50310  -11.48930 13.87628  1.000 56.87926  ? 201 A1ICD A C13  1 
HETATM 1784 C  C14  . A1ICD B 2 .   ? -3.68733  -9.88184  13.66240  1.000 63.69550  ? 201 A1ICD A C14  1 
HETATM 1785 C  C16  . A1ICD B 2 .   ? -2.99148  -7.34763  13.89763  1.000 67.37043  ? 201 A1ICD A C16  1 
HETATM 1786 C  C17  . A1ICD B 2 .   ? -3.54123  -6.76503  15.31410  1.000 70.30411  ? 201 A1ICD A C17  1 
HETATM 1787 C  C18  . A1ICD B 2 .   ? -4.29824  -7.66551  16.14576  1.000 70.29780  ? 201 A1ICD A C18  1 
HETATM 1788 C  C19  . A1ICD B 2 .   ? -4.82235  -7.21891  17.47346  1.000 72.66920  ? 201 A1ICD A C19  1 
HETATM 1789 C  C26  . A1ICD B 2 .   ? -3.84474  -4.93012  17.20138  1.000 78.12314  ? 201 A1ICD A C26  1 
HETATM 1790 C  C27  . A1ICD B 2 .   ? -3.27642  -5.38323  15.78900  1.000 74.50711  ? 201 A1ICD A C27  1 
HETATM 1791 C  C28  . A1ICD B 2 .   ? -2.49486  -4.44446  14.95493  1.000 72.69262  ? 201 A1ICD A C28  1 
HETATM 1792 C  C29  . A1ICD B 2 .   ? -2.25331  -3.14796  15.40070  1.000 73.77378  ? 201 A1ICD A C29  1 
HETATM 1793 C  C30  . A1ICD B 2 .   ? -2.78435  -2.68137  16.74871  1.000 77.48362  ? 201 A1ICD A C30  1 
HETATM 1794 C  C31  . A1ICD B 2 .   ? -3.59882  -3.63392  17.64531  1.000 78.46978  ? 201 A1ICD A C31  1 
HETATM 1795 C  C33  . A1ICD B 2 .   ? -3.81934  -1.86122  19.32735  1.000 79.47286  ? 201 A1ICD A C33  1 
HETATM 1796 C  C34  . A1ICD B 2 .   ? -3.04173  -0.90098  18.49357  1.000 80.80640  ? 201 A1ICD A C34  1 
HETATM 1797 C  C35  . A1ICD B 2 .   ? -2.52502  -1.30627  17.21055  1.000 79.50582  ? 201 A1ICD A C35  1 
HETATM 1798 N  N03  . A1ICD B 2 .   ? 0.40285   -12.57243 9.33157   1.000 63.45821  ? 201 A1ICD A N03  1 
HETATM 1799 N  N08  . A1ICD B 2 .   ? 0.75954   -12.25214 6.93870   1.000 59.07456  ? 201 A1ICD A N08  1 
HETATM 1800 N  N15  . A1ICD B 2 .   ? -2.67481  -8.85458  14.17032  1.000 65.38603  ? 201 A1ICD A N15  1 
HETATM 1801 N  N20  . A1ICD B 2 .   ? -4.57203  -5.83671  17.95878  1.000 74.66154  ? 201 A1ICD A N20  1 
HETATM 1802 N  N32  . A1ICD B 2 .   ? -4.08161  -3.20802  18.88605  1.000 76.36554  ? 201 A1ICD A N32  1 
HETATM 1803 O  O01  . A1ICD B 2 .   ? 0.72639   -14.53448 7.73873   1.000 63.94978  ? 201 A1ICD A O01  1 
HETATM 1804 O  O22  . A1ICD B 2 .   ? -3.41161  -5.57553  20.67591  1.000 77.39294  ? 201 A1ICD A O22  1 
HETATM 1805 O  O23  . A1ICD B 2 .   ? -6.96670  -4.20785  18.91912  1.000 75.59490  ? 201 A1ICD A O23  1 
HETATM 1806 O  O24  . A1ICD B 2 .   ? -6.04659  -6.76353  20.15715  1.000 72.16353  ? 201 A1ICD A O24  1 
HETATM 1807 O  O25  . A1ICD B 2 .   ? -5.96112  -4.34269  21.68114  1.000 75.77363  ? 201 A1ICD A O25  1 
HETATM 1808 O  O36  . A1ICD B 2 .   ? -4.67875  -9.42719  13.08375  1.000 76.29832  ? 201 A1ICD A O36  1 
HETATM 1809 S  S07  . A1ICD B 2 .   ? -1.56481  -10.72696 8.27470   1.000 55.65895  ? 201 A1ICD A S07  1 
HETATM 1810 NI NI21 . A1ICD B 2 .   ? -5.18857  -4.89004  19.80712  0.614 71.16780  ? 201 A1ICD A NI21 1 
HETATM 1811 C  C36  . A1ICD B 2 .   ? -1.80401  -9.16094  14.67823  1.000 57.71444  ? 201 A1ICD A C36  1 
HETATM 1812 S  S    . SO4   C 3 .   ? -14.06853 -14.72691 20.70756  0.633 97.47335  ? 202 SO4   A S    1 
HETATM 1813 O  O1   . SO4   C 3 .   ? -12.61263 -14.40817 20.78164  0.633 96.67503  ? 202 SO4   A O1   1 
HETATM 1814 O  O2   . SO4   C 3 .   ? -14.76355 -13.70189 19.85939  0.633 97.75154  ? 202 SO4   A O2   1 
HETATM 1815 O  O3   . SO4   C 3 .   ? -14.24653 -16.09174 20.11053  0.633 96.02533  ? 202 SO4   A O3   1 
HETATM 1816 O  O4   . SO4   C 3 .   ? -14.64307 -14.70714 22.08990  0.633 98.13528  ? 202 SO4   A O4   1 
HETATM 1817 O  O    . HOH   D 4 .   ? 4.14836   -4.14836  0.00000   0.790 69.02181  ? 301 HOH   A O    1 
HETATM 1818 O  O    . HOH   D 4 .   ? 2.03950   -27.59499 0.15007   1.000 39.13139  ? 302 HOH   A O    1 
HETATM 1819 O  O    . HOH   D 4 .   ? 6.80485   -23.98425 -4.01502  1.000 41.39703  ? 303 HOH   A O    1 
HETATM 1820 O  O    . HOH   D 4 .   ? -8.26236  0.70810   5.13538   1.000 38.50603  ? 304 HOH   A O    1 
HETATM 1821 O  O    . HOH   D 4 .   ? -3.58684  -24.85850 9.44985   1.000 44.69831  ? 305 HOH   A O    1 
HETATM 1822 O  O    . HOH   D 4 .   ? 9.87991   -5.11757  2.89617   1.000 45.22955  ? 306 HOH   A O    1 
HETATM 1823 O  O    . HOH   D 4 .   ? 1.29448   -28.43193 7.21739   1.000 46.85900  ? 307 HOH   A O    1 
HETATM 1824 O  O    . HOH   D 4 .   ? -12.83622 -16.33148 -11.93931 1.000 35.73137  ? 308 HOH   A O    1 
HETATM 1825 O  O    . HOH   D 4 .   ? 3.59963   -3.50667  8.09466   1.000 37.42361  ? 309 HOH   A O    1 
HETATM 1826 O  O    . HOH   D 4 .   ? -12.07982 -12.07982 0.00000   0.50  27.22869  ? 310 HOH   A O    1 
HETATM 1827 O  O    . HOH   D 4 .   ? -0.71124  -18.60262 -14.27400 1.000 46.97390  ? 311 HOH   A O    1 
HETATM 1828 O  O    . HOH   D 4 .   ? -14.953   -12.439   -8.722    1.000 30.39030  ? 312 HOH   A O    1 
HETATM 1829 O  O    . HOH   D 4 .   ? -13.35241 -22.48897 5.66859   1.000 39.87802  ? 313 HOH   A O    1 
HETATM 1830 O  O    . HOH   D 4 .   ? -13.62471 -22.94135 -3.27746  1.000 43.79414  ? 314 HOH   A O    1 
HETATM 1831 O  O    . HOH   D 4 .   ? -14.22093 -14.67961 11.23130  1.000 40.10980  ? 315 HOH   A O    1 
HETATM 1832 O  O    . HOH   D 4 .   ? -6.85676  -10.84819 19.65649  1.000 54.95792  ? 316 HOH   A O    1 
HETATM 1833 O  O    . HOH   D 4 .   ? -4.83772  -13.77322 -14.01299 1.000 32.36713  ? 317 HOH   A O    1 
HETATM 1834 O  O    . HOH   D 4 .   ? -12.63098 -17.89359 11.53651  1.000 31.88650  ? 318 HOH   A O    1 
HETATM 1835 O  O    . HOH   D 4 .   ? -3.31221  -13.99723 -16.34367 1.000 40.66050  ? 319 HOH   A O    1 
HETATM 1836 O  O    . HOH   D 4 .   ? -11.91971 -9.62601  13.65540  1.000 34.63214  ? 320 HOH   A O    1 
HETATM 1837 O  O    . HOH   D 4 .   ? -6.65810  -20.46192 -13.05090 1.000 45.19323  ? 321 HOH   A O    1 
HETATM 1838 O  O    . HOH   D 4 .   ? -12.88096 9.31158   17.56615  1.000 55.79958  ? 322 HOH   A O    1 
HETATM 1839 O  O    . HOH   D 4 .   ? -12.54820 -21.38276 15.69141  1.000 41.46904  ? 323 HOH   A O    1 
HETATM 1840 O  O    . HOH   D 4 .   ? -16.91991 -16.84569 -4.29995  1.000 39.63533  ? 324 HOH   A O    1 
HETATM 1841 O  O    . HOH   D 4 .   ? -10.12885 -22.27902 14.99180  1.000 47.31461  ? 325 HOH   A O    1 
HETATM 1842 O  O    . HOH   D 4 .   ? -8.36451  9.92711   11.26490  1.000 45.79162  ? 326 HOH   A O    1 
HETATM 1843 O  O    . HOH   D 4 .   ? 5.48695   -7.36347  5.41651   1.000 46.29761  ? 327 HOH   A O    1 
HETATM 1844 O  O    . HOH   D 4 .   ? -9.09986  3.07350   18.11922  1.000 42.14938  ? 328 HOH   A O    1 
HETATM 1845 O  O    . HOH   D 4 .   ? 6.05301   -26.46874 -6.00031  1.000 48.94190  ? 329 HOH   A O    1 
HETATM 1846 O  O    . HOH   D 4 .   ? -4.41469  1.25212   15.95136  1.000 53.82533  ? 330 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  ? 1.08345 1.16354 0.89080 0.57957  -0.03833 0.15608  11  GLY   A N    
2    C  CA   . GLY   A 11  ? 1.07343 1.18195 0.90086 0.57664  -0.03081 0.14989  11  GLY   A CA   
3    C  C    . GLY   A 11  ? 1.12644 1.29986 0.91825 0.40352  -0.03996 0.16799  11  GLY   A C    
4    O  O    . GLY   A 11  ? 1.07615 1.29582 0.91663 0.39257  -0.06040 0.20254  11  GLY   A O    
8    N  N    . ARG   A 12  ? 1.28081 1.34246 0.94142 0.30689  -0.03216 0.12534  12  ARG   A N    
9    C  CA   . ARG   A 12  ? 1.46075 1.35876 0.95589 0.28677  0.00819  0.05240  12  ARG   A CA   
10   C  C    . ARG   A 12  ? 1.49062 1.33058 0.94625 0.18714  -0.01826 -0.05720 12  ARG   A C    
11   O  O    . ARG   A 12  ? 1.53590 1.31487 0.95197 0.20993  -0.00436 -0.10781 12  ARG   A O    
12   C  CB   . ARG   A 12  ? 1.57243 1.42360 0.97701 0.33251  0.06932  0.09538  12  ARG   A CB   
13   C  CG   . ARG   A 12  ? 1.67082 1.52486 1.00641 0.37947  0.12058  0.14718  12  ARG   A CG   
14   C  CD   . ARG   A 12  ? 1.76177 1.65610 1.03330 0.44238  0.16487  0.18610  12  ARG   A CD   
15   N  NE   . ARG   A 12  ? 1.81288 1.79712 1.05191 0.54312  0.18754  0.21485  12  ARG   A NE   
16   C  CZ   . ARG   A 12  ? 1.82004 1.88561 1.05624 0.59708  0.18825  0.27032  12  ARG   A CZ   
17   N  NH1  . ARG   A 12  ? 1.85269 1.94441 1.05402 0.56745  0.19028  0.29544  12  ARG   A NH1  
18   N  NH2  . ARG   A 12  ? 1.77744 1.88038 1.05674 0.65805  0.19128  0.29109  12  ARG   A NH2  
32   N  N    . ASP   A 13  ? 1.42094 1.31014 0.92862 0.07600  -0.05464 -0.08007 13  ASP   A N    
33   C  CA   . ASP   A 13  ? 1.27047 1.22596 0.90404 0.04318  -0.06899 -0.09968 13  ASP   A CA   
34   C  C    . ASP   A 13  ? 1.20404 0.90125 0.85713 0.14453  -0.06305 -0.12454 13  ASP   A C    
35   O  O    . ASP   A 13  ? 1.20548 0.77452 0.84457 0.15613  -0.09419 -0.14887 13  ASP   A O    
36   C  CB   . ASP   A 13  ? 1.17333 1.38507 0.92683 -0.06222 -0.09410 -0.12612 13  ASP   A CB   
37   C  CG   . ASP   A 13  ? 1.11051 1.46429 0.95498 -0.17813 -0.12110 -0.11103 13  ASP   A CG   
38   O  OD1  . ASP   A 13  ? 1.10473 1.47291 0.95837 -0.20701 -0.06435 -0.15808 13  ASP   A OD1  
39   O  OD2  . ASP   A 13  ? 1.10456 1.49226 0.96947 -0.11711 -0.17719 -0.07084 13  ASP   A OD2  
44   N  N    . GLN   A 14  ? 1.15167 0.78527 0.82777 0.20631  -0.05307 -0.13421 14  GLN   A N    
45   C  CA   . GLN   A 14  ? 1.05678 0.83418 0.80238 0.22576  -0.00882 -0.19701 14  GLN   A CA   
46   C  C    . GLN   A 14  ? 1.02321 0.82299 0.76612 0.20652  0.00857  -0.21414 14  GLN   A C    
47   O  O    . GLN   A 14  ? 1.15173 0.80987 0.74818 0.30347  -0.03957 -0.20629 14  GLN   A O    
48   C  CB   . GLN   A 14  ? 0.91332 0.88839 0.81769 0.29796  0.02152  -0.22646 14  GLN   A CB   
49   C  CG   . GLN   A 14  ? 0.88286 0.93422 0.83700 0.23935  0.02900  -0.24649 14  GLN   A CG   
50   C  CD   . GLN   A 14  ? 0.93164 0.98201 0.85415 0.16651  0.03547  -0.24972 14  GLN   A CD   
51   O  OE1  . GLN   A 14  ? 0.94835 0.97096 0.86641 0.06200  0.02079  -0.27155 14  GLN   A OE1  
52   N  NE2  . GLN   A 14  ? 0.91098 1.05004 0.85066 0.19237  0.05416  -0.25928 14  GLN   A NE2  
61   N  N    . ALA   A 15  ? 0.82076 0.76817 0.74241 0.09138  0.03148  -0.24400 15  ALA   A N    
62   C  CA   . ALA   A 15  ? 0.76163 0.71562 0.71368 0.10825  0.07107  -0.23193 15  ALA   A CA   
63   C  C    . ALA   A 15  ? 0.82989 0.78809 0.66221 0.16765  0.08968  -0.20432 15  ALA   A C    
64   O  O    . ALA   A 15  ? 0.89629 0.81592 0.68406 0.26835  0.08702  -0.20649 15  ALA   A O    
65   C  CB   . ALA   A 15  ? 0.71782 0.77659 0.73245 0.10683  0.06651  -0.24090 15  ALA   A CB   
71   N  N    . GLY   A 16  ? 0.75205 0.73127 0.57598 0.13321  0.12361  -0.17949 16  GLY   A N    
72   C  CA   . GLY   A 16  ? 0.62711 0.44412 0.50996 0.07123  0.08775  -0.05135 16  GLY   A CA   
73   C  C    . GLY   A 16  ? 0.46382 0.39597 0.44521 0.10450  -0.00995 0.04128  16  GLY   A C    
74   O  O    . GLY   A 16  ? 0.50334 0.42322 0.45743 0.09779  -0.03486 0.03529  16  GLY   A O    
78   N  N    . ILE   A 17  ? 0.47451 0.41631 0.41316 0.05682  -0.01143 0.03897  17  ILE   A N    
79   C  CA   . ILE   A 17  ? 0.48402 0.37444 0.41807 0.08134  -0.03573 0.02556  17  ILE   A CA   
80   C  C    . ILE   A 17  ? 0.38019 0.36368 0.41353 0.08034  -0.04333 0.03053  17  ILE   A C    
81   O  O    . ILE   A 17  ? 0.46974 0.43659 0.38482 0.10664  0.00422  -0.00337 17  ILE   A O    
82   C  CB   . ILE   A 17  ? 0.50857 0.25847 0.41519 0.00756  0.01505  -0.01742 17  ILE   A CB   
83   C  CG1  . ILE   A 17  ? 0.55844 0.26712 0.42893 0.05926  -0.01220 0.06447  17  ILE   A CG1  
84   C  CG2  . ILE   A 17  ? 0.47631 0.35407 0.38452 0.00284  0.06691  0.00109  17  ILE   A CG2  
85   C  CD1  . ILE   A 17  ? 0.60301 0.40058 0.43677 0.09900  -0.00985 0.11272  17  ILE   A CD1  
97   N  N    . THR   A 18  ? 0.45089 0.34649 0.43331 0.06037  -0.05713 0.00621  18  THR   A N    
98   C  CA   . THR   A 18  ? 0.51777 0.40553 0.42061 -0.03167 -0.04592 -0.00099 18  THR   A CA   
99   C  C    . THR   A 18  ? 0.52680 0.41290 0.40353 0.01882  -0.05517 -0.01597 18  THR   A C    
100  O  O    . THR   A 18  ? 0.53384 0.48880 0.39790 0.11098  -0.07887 0.00369  18  THR   A O    
101  C  CB   . THR   A 18  ? 0.55723 0.28595 0.45554 -0.03118 -0.07537 0.02503  18  THR   A CB   
102  O  OG1  . THR   A 18  ? 0.60277 0.34764 0.45721 0.06150  -0.06486 -0.01872 18  THR   A OG1  
103  C  CG2  . THR   A 18  ? 0.48200 0.36840 0.46949 0.01140  -0.02982 0.02469  18  THR   A CG2  
111  N  N    . GLY   A 19  ? 0.51772 0.27460 0.39934 0.07769  -0.04123 0.00605  19  GLY   A N    
112  C  CA   . GLY   A 19  ? 0.54247 0.28561 0.41452 0.05836  -0.05751 -0.01210 19  GLY   A CA   
113  C  C    . GLY   A 19  ? 0.55991 0.35867 0.42308 0.08000  -0.05253 -0.02390 19  GLY   A C    
114  O  O    . GLY   A 19  ? 0.39157 0.38535 0.42313 -0.01149 -0.02943 0.01804  19  GLY   A O    
118  N  N    . THR   A 20  ? 0.54691 0.29634 0.44064 0.02198  -0.08184 -0.03923 20  THR   A N    
119  C  CA   . THR   A 20  ? 0.50426 0.29977 0.44476 0.11879  -0.01998 -0.02852 20  THR   A CA   
120  C  C    . THR   A 20  ? 0.46437 0.32650 0.45374 0.03602  0.01623  -0.03329 20  THR   A C    
121  O  O    . THR   A 20  ? 0.51041 0.26607 0.50426 0.04707  0.05379  -0.01056 20  THR   A O    
122  C  CB   . THR   A 20  ? 0.52769 0.33899 0.44226 0.12597  -0.01934 0.00483  20  THR   A CB   
123  O  OG1  . THR   A 20  ? 0.47433 0.41437 0.45360 0.05862  -0.08570 0.00765  20  THR   A OG1  
124  C  CG2  . THR   A 20  ? 0.43590 0.37134 0.44718 0.14990  0.02196  -0.01188 20  THR   A CG2  
132  N  N    . TRP   A 21  ? 0.45978 0.33232 0.42870 -0.05501 0.02494  -0.02933 21  TRP   A N    
133  C  CA   . TRP   A 21  ? 0.38221 0.31897 0.40730 0.05579  -0.03739 -0.04081 21  TRP   A CA   
134  C  C    . TRP   A 21  ? 0.31590 0.35946 0.39585 0.02169  0.00590  -0.01837 21  TRP   A C    
135  O  O    . TRP   A 21  ? 0.41145 0.36915 0.38015 0.03598  0.05275  -0.01354 21  TRP   A O    
136  C  CB   . TRP   A 21  ? 0.51151 0.26063 0.38024 0.05550  -0.06723 -0.02136 21  TRP   A CB   
137  C  CG   . TRP   A 21  ? 0.48735 0.27996 0.37714 0.02527  0.00516  -0.04487 21  TRP   A CG   
138  C  CD1  . TRP   A 21  ? 0.49108 0.22642 0.35002 -0.07249 0.03103  -0.05308 21  TRP   A CD1  
139  C  CD2  . TRP   A 21  ? 0.51273 0.36225 0.37593 0.01782  0.03246  -0.01539 21  TRP   A CD2  
140  N  NE1  . TRP   A 21  ? 0.52329 0.27871 0.36466 0.01420  0.02640  -0.03546 21  TRP   A NE1  
141  C  CE2  . TRP   A 21  ? 0.49727 0.30923 0.35965 0.03322  0.06824  -0.02230 21  TRP   A CE2  
142  C  CE3  . TRP   A 21  ? 0.45002 0.37628 0.38633 -0.00307 0.05822  -0.01734 21  TRP   A CE3  
143  C  CZ2  . TRP   A 21  ? 0.51970 0.29235 0.36847 0.01255  0.03599  -0.04374 21  TRP   A CZ2  
144  C  CZ3  . TRP   A 21  ? 0.44031 0.39276 0.38453 0.01538  0.00015  -0.07215 21  TRP   A CZ3  
145  C  CH2  . TRP   A 21  ? 0.41641 0.42470 0.38521 -0.03363 0.01931  -0.01258 21  TRP   A CH2  
156  N  N    . TYR   A 22  ? 0.38491 0.34823 0.42239 -0.04994 -0.01194 0.03077  22  TYR   A N    
157  C  CA   . TYR   A 22  ? 0.33440 0.34341 0.44627 0.08883  -0.02306 0.03729  22  TYR   A CA   
158  C  C    . TYR   A 22  ? 0.43409 0.33533 0.51323 0.11078  0.02981  0.01230  22  TYR   A C    
159  O  O    . TYR   A 22  ? 0.43045 0.39255 0.54165 0.02856  0.03033  0.02190  22  TYR   A O    
160  C  CB   . TYR   A 22  ? 0.38174 0.34523 0.43101 0.01997  -0.03538 -0.04311 22  TYR   A CB   
161  C  CG   . TYR   A 22  ? 0.45723 0.31696 0.41766 -0.04748 -0.04785 -0.00277 22  TYR   A CG   
162  C  CD1  . TYR   A 22  ? 0.56327 0.34003 0.41299 -0.04297 -0.08707 -0.01388 22  TYR   A CD1  
163  C  CD2  . TYR   A 22  ? 0.52807 0.32645 0.43197 -0.02769 -0.00247 -0.03171 22  TYR   A CD2  
164  C  CE1  . TYR   A 22  ? 0.58241 0.35425 0.40650 -0.09856 -0.10787 0.02286  22  TYR   A CE1  
165  C  CE2  . TYR   A 22  ? 0.50636 0.39565 0.42265 -0.06704 -0.01101 0.00901  22  TYR   A CE2  
166  C  CZ   . TYR   A 22  ? 0.46223 0.39307 0.41386 -0.09490 -0.00846 0.02257  22  TYR   A CZ   
167  O  OH   . TYR   A 22  ? 0.50713 0.41383 0.42470 -0.04983 -0.00286 0.03580  22  TYR   A OH   
177  N  N    . ASN   A 23  ? 0.36422 0.38748 0.56130 0.03777  0.11041  -0.07121 23  ASN   A N    
178  C  CA   . ASN   A 23  ? 0.45326 0.38541 0.61429 -0.10852 0.08555  -0.06457 23  ASN   A CA   
179  C  C    . ASN   A 23  ? 0.53832 0.52864 0.59202 -0.00627 0.02253  -0.07580 23  ASN   A C    
180  O  O    . ASN   A 23  ? 0.40298 0.61068 0.56207 0.00036  -0.02897 -0.08291 23  ASN   A O    
181  C  CB   . ASN   A 23  ? 0.57708 0.40284 0.67751 -0.06189 0.11383  -0.06895 23  ASN   A CB   
182  C  CG   . ASN   A 23  ? 0.61562 0.43097 0.73826 -0.02001 0.15746  -0.07952 23  ASN   A CG   
183  O  OD1  . ASN   A 23  ? 0.53774 0.55011 0.74844 -0.10351 0.12518  -0.10247 23  ASN   A OD1  
184  N  ND2  . ASN   A 23  ? 0.78654 0.34394 0.76904 -0.09795 0.20270  -0.06090 23  ASN   A ND2  
191  N  N    . GLN   A 24  ? 0.66384 0.49082 0.61682 0.13424  -0.04520 -0.11349 24  GLN   A N    
192  C  CA   . GLN   A 24  ? 0.64455 0.71929 0.66581 0.16580  -0.10995 -0.05855 24  GLN   A CA   
193  C  C    . GLN   A 24  ? 0.60848 0.81112 0.70530 0.11269  -0.11418 0.01660  24  GLN   A C    
194  O  O    . GLN   A 24  ? 0.49887 0.82531 0.72410 0.13990  -0.12873 -0.01267 24  GLN   A O    
195  C  CB   . GLN   A 24  ? 0.72257 0.82412 0.68752 0.22747  -0.14020 -0.01435 24  GLN   A CB   
196  C  CG   . GLN   A 24  ? 0.80527 0.93308 0.70762 0.32105  -0.18736 0.07464  24  GLN   A CG   
197  C  CD   . GLN   A 24  ? 0.98182 0.96907 0.73173 0.33746  -0.15999 0.10197  24  GLN   A CD   
198  O  OE1  . GLN   A 24  ? 0.86795 0.85549 0.72846 0.39723  -0.22150 0.10762  24  GLN   A OE1  
199  N  NE2  . GLN   A 24  ? 0.97525 1.06251 0.74841 0.37396  -0.17592 0.16643  24  GLN   A NE2  
208  N  N    . LEU   A 25  ? 0.76331 0.80147 0.71918 0.01882  -0.09253 0.08034  25  LEU   A N    
209  C  CA   . LEU   A 25  ? 0.83838 0.83298 0.73388 -0.01539 -0.02974 0.15902  25  LEU   A CA   
210  C  C    . LEU   A 25  ? 0.68638 0.96860 0.75547 0.17852  -0.01956 0.14696  25  LEU   A C    
211  O  O    . LEU   A 25  ? 0.50260 1.06486 0.73986 0.21168  0.03661  0.12921  25  LEU   A O    
212  C  CB   . LEU   A 25  ? 1.01531 0.71062 0.72761 -0.05337 -0.01050 0.18155  25  LEU   A CB   
213  C  CG   . LEU   A 25  ? 1.09994 0.82169 0.72877 -0.12054 -0.03427 0.14779  25  LEU   A CG   
214  C  CD1  . LEU   A 25  ? 1.13762 0.86928 0.72989 -0.13375 -0.05759 0.15334  25  LEU   A CD1  
215  C  CD2  . LEU   A 25  ? 1.09587 0.87572 0.73443 -0.17413 -0.04123 0.15133  25  LEU   A CD2  
227  N  N    . GLY   A 26  ? 0.61496 0.97658 0.78201 0.22849  -0.02269 0.17080  26  GLY   A N    
228  C  CA   . GLY   A 26  ? 0.55472 0.81686 0.78763 0.15517  -0.00625 0.16287  26  GLY   A CA   
229  C  C    . GLY   A 26  ? 0.49846 0.67696 0.75464 0.05029  -0.02394 0.11736  26  GLY   A C    
230  O  O    . GLY   A 26  ? 0.44634 0.73534 0.77550 0.06644  -0.00638 0.16485  26  GLY   A O    
234  N  N    . SER   A 27  ? 0.41394 0.53760 0.69150 0.08632  -0.04780 -0.01261 27  SER   A N    
235  C  CA   . SER   A 27  ? 0.36980 0.42817 0.62407 0.08413  0.00568  -0.08055 27  SER   A CA   
236  C  C    . SER   A 27  ? 0.34553 0.36813 0.58113 0.06519  0.00310  -0.06796 27  SER   A C    
237  O  O    . SER   A 27  ? 0.42774 0.36752 0.61303 -0.02360 0.04835  -0.04564 27  SER   A O    
238  C  CB   . SER   A 27  ? 0.46828 0.48552 0.59808 0.09334  0.01451  -0.11434 27  SER   A CB   
239  O  OG   . SER   A 27  ? 0.56277 0.53749 0.56482 0.11757  -0.07357 -0.14964 27  SER   A OG   
245  N  N    . THR   A 28  ? 0.36510 0.32655 0.53658 0.07862  -0.01178 -0.00761 28  THR   A N    
246  C  CA   . THR   A 28  ? 0.46318 0.41733 0.53428 0.00930  -0.03397 -0.03209 28  THR   A CA   
247  C  C    . THR   A 28  ? 0.49060 0.37235 0.49329 -0.02703 -0.02797 -0.08242 28  THR   A C    
248  O  O    . THR   A 28  ? 0.48441 0.49186 0.49842 -0.03890 0.04700  -0.07527 28  THR   A O    
249  C  CB   . THR   A 28  ? 0.57634 0.39325 0.55543 0.10246  -0.09233 0.01638  28  THR   A CB   
250  O  OG1  . THR   A 28  ? 0.70063 0.37047 0.56841 0.14133  -0.07696 0.03476  28  THR   A OG1  
251  C  CG2  . THR   A 28  ? 0.74426 0.59061 0.57186 0.21344  -0.09888 -0.00313 28  THR   A CG2  
259  N  N    . PHE   A 29  ? 0.51364 0.35657 0.46462 0.03139  -0.02699 -0.06278 29  PHE   A N    
260  C  CA   . PHE   A 29  ? 0.59141 0.46763 0.45723 -0.10320 -0.00174 -0.07495 29  PHE   A CA   
261  C  C    . PHE   A 29  ? 0.43320 0.55598 0.43474 -0.06303 -0.00054 -0.07739 29  PHE   A C    
262  O  O    . PHE   A 29  ? 0.43959 0.62018 0.45129 0.03984  0.00403  -0.11993 29  PHE   A O    
263  C  CB   . PHE   A 29  ? 0.56361 0.44291 0.46752 0.16677  0.00801  -0.05400 29  PHE   A CB   
264  C  CG   . PHE   A 29  ? 0.52809 0.54903 0.45488 0.26131  0.11290  -0.08409 29  PHE   A CG   
265  C  CD1  . PHE   A 29  ? 0.66672 0.55507 0.44549 -0.06632 0.03883  -0.10106 29  PHE   A CD1  
266  C  CD2  . PHE   A 29  ? 0.51687 0.58244 0.48574 0.27721  0.11510  -0.05490 29  PHE   A CD2  
267  C  CE1  . PHE   A 29  ? 0.77808 0.63783 0.47107 -0.09451 0.05700  -0.10736 29  PHE   A CE1  
268  C  CE2  . PHE   A 29  ? 0.48719 0.67329 0.49018 0.09655  0.12484  -0.07173 29  PHE   A CE2  
269  C  CZ   . PHE   A 29  ? 0.66071 0.68829 0.47711 -0.06629 0.12505  -0.14387 29  PHE   A CZ   
279  N  N    . ILE   A 30  ? 0.49575 0.51098 0.41095 0.01882  0.06455  -0.03326 30  ILE   A N    
280  C  CA   . ILE   A 30  ? 0.48178 0.42698 0.43216 -0.01376 0.01636  0.05366  30  ILE   A CA   
281  C  C    . ILE   A 30  ? 0.46714 0.38006 0.40461 0.06301  0.01323  -0.02149 30  ILE   A C    
282  O  O    . ILE   A 30  ? 0.34844 0.60588 0.38541 0.06201  0.00247  -0.04709 30  ILE   A O    
283  C  CB   . ILE   A 30  ? 0.52680 0.65619 0.46080 -0.05653 0.01476  0.09010  30  ILE   A CB   
284  C  CG1  . ILE   A 30  ? 0.55009 0.69207 0.48595 0.07062  0.04459  0.11198  30  ILE   A CG1  
285  C  CG2  . ILE   A 30  ? 0.61501 0.55946 0.47820 -0.16422 -0.00424 0.18268  30  ILE   A CG2  
286  C  CD1  . ILE   A 30  ? 0.62135 0.67004 0.49033 0.12304  0.07446  0.13555  30  ILE   A CD1  
298  N  N    . VAL   A 31  ? 0.50579 0.34589 0.43657 0.06012  0.00251  0.00251  31  VAL   A N    
299  C  CA   . VAL   A 31  ? 0.42597 0.32391 0.42836 0.10223  -0.02983 -0.00334 31  VAL   A CA   
300  C  C    . VAL   A 31  ? 0.44955 0.43613 0.41798 0.08024  -0.00074 0.01191  31  VAL   A C    
301  O  O    . VAL   A 31  ? 0.41460 0.37778 0.41968 0.01647  -0.02164 0.02577  31  VAL   A O    
302  C  CB   . VAL   A 31  ? 0.44359 0.33220 0.42328 0.08700  0.01007  0.01341  31  VAL   A CB   
303  C  CG1  . VAL   A 31  ? 0.48006 0.30840 0.38097 0.02423  0.03957  -0.02283 31  VAL   A CG1  
304  C  CG2  . VAL   A 31  ? 0.36916 0.47306 0.44910 0.04654  -0.02049 -0.00002 31  VAL   A CG2  
314  N  N    . THR   A 32  ? 0.40487 0.39333 0.41997 0.03050  -0.01842 0.02694  32  THR   A N    
315  C  CA   . THR   A 32  ? 0.41797 0.38825 0.40103 -0.02558 -0.03692 -0.03649 32  THR   A CA   
316  C  C    . THR   A 32  ? 0.44483 0.47090 0.41653 -0.05462 -0.00590 -0.02542 32  THR   A C    
317  O  O    . THR   A 32  ? 0.47766 0.45759 0.43783 -0.06627 0.02886  -0.03350 32  THR   A O    
318  C  CB   . THR   A 32  ? 0.47235 0.39752 0.41422 -0.04556 -0.04645 -0.02992 32  THR   A CB   
319  O  OG1  . THR   A 32  ? 0.56817 0.44120 0.43741 -0.05376 0.01473  0.03912  32  THR   A OG1  
320  C  CG2  . THR   A 32  ? 0.52963 0.46169 0.43076 0.06491  -0.03746 -0.04010 32  THR   A CG2  
328  N  N    . ALA   A 33  ? 0.49972 0.37691 0.37875 0.05087  -0.04415 -0.06427 33  ALA   A N    
329  C  CA   . ALA   A 33  ? 0.58430 0.33561 0.37794 0.05904  -0.06345 -0.04646 33  ALA   A CA   
330  C  C    . ALA   A 33  ? 0.56084 0.40458 0.42711 -0.07866 -0.04769 -0.04522 33  ALA   A C    
331  O  O    . ALA   A 33  ? 0.61003 0.48973 0.43834 -0.05506 -0.02079 -0.09053 33  ALA   A O    
332  C  CB   . ALA   A 33  ? 0.66923 0.40004 0.35398 0.09923  -0.01359 0.02517  33  ALA   A CB   
338  N  N    . GLY   A 34  ? 0.59603 0.34949 0.45975 0.02774  -0.04532 -0.11458 34  GLY   A N    
339  C  CA   . GLY   A 34  ? 0.54028 0.46374 0.47831 -0.05854 -0.08454 -0.09947 34  GLY   A CA   
340  C  C    . GLY   A 34  ? 0.63270 0.39882 0.50533 -0.05265 -0.15282 -0.11380 34  GLY   A C    
341  O  O    . GLY   A 34  ? 0.73728 0.47900 0.50866 0.09160  -0.15757 -0.07734 34  GLY   A O    
345  N  N    . ALA   A 35  ? 0.63433 0.41403 0.55211 -0.12577 -0.13456 -0.06134 35  ALA   A N    
346  C  CA   . ALA   A 35  ? 0.65135 0.58442 0.58075 -0.16618 -0.22934 -0.10090 35  ALA   A CA   
347  C  C    . ALA   A 35  ? 0.74275 0.48760 0.60994 -0.16608 -0.20100 -0.02327 35  ALA   A C    
348  O  O    . ALA   A 35  ? 0.91553 0.58562 0.60138 -0.26059 -0.18460 0.06504  35  ALA   A O    
349  C  CB   . ALA   A 35  ? 0.69171 0.61970 0.59905 -0.21376 -0.20557 -0.10447 35  ALA   A CB   
355  N  N    . ASP   A 36  ? 0.60466 0.38398 0.65649 0.01651  -0.21727 -0.09841 36  ASP   A N    
356  C  CA   . ASP   A 36  ? 0.69437 0.41124 0.68858 -0.10410 -0.20850 -0.11232 36  ASP   A CA   
357  C  C    . ASP   A 36  ? 0.55946 0.39494 0.64816 -0.11656 -0.20284 -0.05112 36  ASP   A C    
358  O  O    . ASP   A 36  ? 0.62339 0.51605 0.71995 0.06756  -0.24383 -0.07121 36  ASP   A O    
359  C  CB   . ASP   A 36  ? 0.76577 0.56013 0.74067 -0.02202 -0.26422 -0.16187 36  ASP   A CB   
360  C  CG   . ASP   A 36  ? 0.80780 0.70979 0.77791 0.03390  -0.25894 -0.16038 36  ASP   A CG   
361  O  OD1  . ASP   A 36  ? 0.61083 0.59243 0.78653 0.13952  -0.29431 -0.11884 36  ASP   A OD1  
362  O  OD2  . ASP   A 36  ? 0.82737 0.89251 0.79096 0.03288  -0.24213 -0.20345 36  ASP   A OD2  
367  N  N    . GLY   A 37  ? 0.50694 0.34809 0.51892 -0.07335 -0.10763 -0.03617 37  GLY   A N    
368  C  CA   . GLY   A 37  ? 0.48547 0.35247 0.47309 -0.09397 -0.02279 -0.00105 37  GLY   A CA   
369  C  C    . GLY   A 37  ? 0.47906 0.33027 0.43030 -0.04470 0.00174  -0.02407 37  GLY   A C    
370  O  O    . GLY   A 37  ? 0.46139 0.37616 0.46416 -0.04209 -0.01143 -0.02322 37  GLY   A O    
374  N  N    . ALA   A 38  ? 0.42954 0.33732 0.41348 0.02483  -0.03209 0.00497  38  ALA   A N    
375  C  CA   . ALA   A 38  ? 0.47886 0.34355 0.39307 -0.05976 -0.02467 0.02022  38  ALA   A CA   
376  C  C    . ALA   A 38  ? 0.40892 0.32102 0.42550 -0.03750 -0.05303 -0.04921 38  ALA   A C    
377  O  O    . ALA   A 38  ? 0.40932 0.38715 0.44741 -0.00344 -0.06698 -0.06238 38  ALA   A O    
378  C  CB   . ALA   A 38  ? 0.44922 0.51619 0.38408 -0.13006 0.06980  0.05002  38  ALA   A CB   
384  N  N    . LEU   A 39  ? 0.37230 0.33498 0.39627 -0.03359 -0.07654 -0.04173 39  LEU   A N    
385  C  CA   . LEU   A 39  ? 0.32431 0.38865 0.41524 -0.03331 0.01935  -0.01357 39  LEU   A CA   
386  C  C    . LEU   A 39  ? 0.29446 0.41542 0.43602 0.02578  0.05494  0.02148  39  LEU   A C    
387  O  O    . LEU   A 39  ? 0.36046 0.47365 0.43443 0.04163  0.04119  -0.03957 39  LEU   A O    
388  C  CB   . LEU   A 39  ? 0.36450 0.40700 0.41246 0.01456  -0.00134 0.00916  39  LEU   A CB   
389  C  CG   . LEU   A 39  ? 0.39910 0.33873 0.39490 0.01555  0.04616  -0.01957 39  LEU   A CG   
390  C  CD1  . LEU   A 39  ? 0.34111 0.43100 0.40003 0.15804  0.00579  -0.01248 39  LEU   A CD1  
391  C  CD2  . LEU   A 39  ? 0.40930 0.30611 0.42060 0.02812  0.05019  -0.05188 39  LEU   A CD2  
403  N  N    . THR   A 40  ? 0.45441 0.38057 0.44725 0.04625  0.07759  0.04929  40  THR   A N    
404  C  CA   . THR   A 40  ? 0.38676 0.32318 0.45317 0.01629  0.03241  0.04058  40  THR   A CA   
405  C  C    . THR   A 40  ? 0.53797 0.36136 0.36814 0.08666  0.05620  0.01019  40  THR   A C    
406  O  O    . THR   A 40  ? 0.54109 0.45810 0.37024 0.13019  0.02256  0.01281  40  THR   A O    
407  C  CB   . THR   A 40  ? 0.45442 0.33721 0.53905 0.02312  -0.03957 0.00934  40  THR   A CB   
408  O  OG1  . THR   A 40  ? 0.61086 0.48739 0.59540 -0.07549 -0.05047 0.03047  40  THR   A OG1  
409  C  CG2  . THR   A 40  ? 0.36992 0.36811 0.52769 -0.02285 -0.07157 0.01618  40  THR   A CG2  
417  N  N    . GLY   A 41  ? 0.49308 0.29173 0.33034 0.00953  0.02439  0.02131  41  GLY   A N    
418  C  CA   . GLY   A 41  ? 0.50820 0.35244 0.32476 0.08595  -0.00586 0.01207  41  GLY   A CA   
419  C  C    . GLY   A 41  ? 0.43123 0.34533 0.33950 0.03716  0.04314  -0.02417 41  GLY   A C    
420  O  O    . GLY   A 41  ? 0.41353 0.30565 0.37295 0.02929  0.05817  0.00378  41  GLY   A O    
424  N  N    . THR   A 42  ? 0.42171 0.29918 0.39249 0.01578  -0.00036 -0.02185 42  THR   A N    
425  C  CA   . THR   A 42  ? 0.40125 0.36556 0.39723 0.03986  -0.01849 -0.11414 42  THR   A CA   
426  C  C    . THR   A 42  ? 0.43834 0.45608 0.40033 -0.03242 0.01325  -0.12654 42  THR   A C    
427  O  O    . THR   A 42  ? 0.49706 0.53142 0.46462 0.13142  -0.04765 -0.14425 42  THR   A O    
428  C  CB   . THR   A 42  ? 0.49570 0.48319 0.45955 -0.02396 0.00268  -0.03098 42  THR   A CB   
429  O  OG1  . THR   A 42  ? 0.47247 0.51408 0.49656 -0.07993 0.00198  -0.03898 42  THR   A OG1  
430  C  CG2  . THR   A 42  ? 0.52288 0.60710 0.44837 -0.06019 -0.06992 0.04767  42  THR   A CG2  
438  N  N    . TYR   A 43  ? 0.37368 0.43493 0.37169 -0.03377 0.02782  -0.03517 43  TYR   A N    
439  C  CA   . TYR   A 43  ? 0.38707 0.49477 0.39220 -0.01381 -0.02146 -0.01844 43  TYR   A CA   
440  C  C    . TYR   A 43  ? 0.32661 0.53203 0.39846 0.08707  -0.00865 0.00567  43  TYR   A C    
441  O  O    . TYR   A 43  ? 0.41996 0.52436 0.40712 -0.01886 0.05135  -0.03031 43  TYR   A O    
442  C  CB   . TYR   A 43  ? 0.42612 0.40482 0.43985 -0.01700 0.04937  -0.06240 43  TYR   A CB   
443  C  CG   . TYR   A 43  ? 0.43233 0.39054 0.50571 0.07861  0.08169  -0.08653 43  TYR   A CG   
444  C  CD1  . TYR   A 43  ? 0.45860 0.31678 0.54065 0.08193  0.04245  -0.06913 43  TYR   A CD1  
445  C  CD2  . TYR   A 43  ? 0.48929 0.36134 0.54283 0.10573  0.06423  -0.02134 43  TYR   A CD2  
446  C  CE1  . TYR   A 43  ? 0.37042 0.36812 0.55595 0.04847  0.04370  -0.05180 43  TYR   A CE1  
447  C  CE2  . TYR   A 43  ? 0.37921 0.36699 0.57079 0.11946  0.04214  -0.00658 43  TYR   A CE2  
448  C  CZ   . TYR   A 43  ? 0.40381 0.45620 0.58329 0.07485  0.02419  -0.06195 43  TYR   A CZ   
449  O  OH   . TYR   A 43  ? 0.38967 0.45983 0.62223 0.05541  0.00524  -0.03625 43  TYR   A OH   
459  N  N    . GLU   A 44  ? 0.36062 0.52221 0.40880 0.12159  -0.02785 0.01983  44  GLU   A N    
460  C  CA   . GLU   A 44  ? 0.42086 0.69718 0.43895 0.14022  -0.06363 0.01287  44  GLU   A CA   
461  C  C    . GLU   A 44  ? 0.50237 0.71918 0.49156 0.18781  -0.09596 -0.11203 44  GLU   A C    
462  O  O    . GLU   A 44  ? 0.53187 0.72756 0.43520 0.11638  -0.10953 -0.17857 44  GLU   A O    
463  C  CB   . GLU   A 44  ? 0.50203 0.85181 0.44848 0.22885  -0.00504 0.12545  44  GLU   A CB   
464  C  CG   . GLU   A 44  ? 0.66059 1.12494 0.49225 0.21557  0.03500  0.18450  44  GLU   A CG   
465  C  CD   . GLU   A 44  ? 0.85628 1.31110 0.57045 0.19130  0.12456  0.22095  44  GLU   A CD   
466  O  OE1  . GLU   A 44  ? 1.02558 1.41710 0.65278 0.26590  0.14343  0.21378  44  GLU   A OE1  
467  O  OE2  . GLU   A 44  ? 0.91673 1.44530 0.55023 0.20701  0.13110  0.26666  44  GLU   A OE2  
474  N  N    . SER   A 45  ? 0.66239 0.84862 0.58860 0.11588  -0.11914 -0.18098 45  SER   A N    
475  C  CA   . SER   A 45  ? 0.78225 0.85094 0.69808 0.20430  -0.16465 -0.19537 45  SER   A CA   
476  C  C    . SER   A 45  ? 0.79444 0.90762 0.75528 0.13228  -0.17352 -0.14749 45  SER   A C    
477  O  O    . SER   A 45  ? 0.88393 1.08655 0.75811 0.02555  -0.15470 -0.12099 45  SER   A O    
478  C  CB   . SER   A 45  ? 0.89447 0.90089 0.74430 0.34711  -0.21318 -0.24743 45  SER   A CB   
479  O  OG   . SER   A 45  ? 1.00426 0.82289 0.75407 0.43113  -0.23367 -0.23915 45  SER   A OG   
485  N  N    . ALA   A 46  ? 0.70386 0.77877 0.79809 0.13292  -0.19718 -0.15173 46  ALA   A N    
486  C  CA   . ALA   A 46  ? 0.71411 0.85961 0.84107 0.09772  -0.12484 -0.14052 46  ALA   A CA   
487  C  C    . ALA   A 46  ? 0.72585 0.84309 0.86293 0.08146  -0.10241 -0.11186 46  ALA   A C    
488  O  O    . ALA   A 46  ? 0.77427 0.82849 0.85235 0.16485  -0.15540 -0.04098 46  ALA   A O    
489  C  CB   . ALA   A 46  ? 0.73123 0.96643 0.85660 0.06955  -0.11523 -0.10842 46  ALA   A CB   
495  N  N    . VAL   A 47  ? 0.71366 0.70891 0.88991 0.14975  -0.03442 -0.14163 47  VAL   A N    
496  C  CA   . VAL   A 47  ? 0.81303 0.80393 0.90938 0.13052  0.06808  -0.17550 47  VAL   A CA   
497  C  C    . VAL   A 47  ? 0.79393 0.74920 0.93807 0.11567  0.14028  -0.20873 47  VAL   A C    
498  O  O    . VAL   A 47  ? 0.74763 0.72381 0.94735 0.01866  0.12493  -0.18457 47  VAL   A O    
499  C  CB   . VAL   A 47  ? 0.79925 0.80597 0.89056 0.01820  0.12886  -0.16230 47  VAL   A CB   
500  C  CG1  . VAL   A 47  ? 0.72305 0.83319 0.87522 -0.02167 0.12553  -0.14998 47  VAL   A CG1  
501  C  CG2  . VAL   A 47  ? 0.84308 0.73186 0.89097 0.05869  0.13218  -0.15352 47  VAL   A CG2  
511  N  N    . GLY   A 48  ? 0.84836 0.71804 0.94911 0.10891  0.16530  -0.21592 48  GLY   A N    
512  C  CA   . GLY   A 48  ? 0.96662 0.69677 0.97106 0.06939  0.15035  -0.15958 48  GLY   A CA   
513  C  C    . GLY   A 48  ? 1.04078 0.73978 0.99336 0.01043  0.12054  -0.14456 48  GLY   A C    
514  O  O    . GLY   A 48  ? 1.13569 0.68242 0.99057 0.05840  0.10031  -0.17275 48  GLY   A O    
518  N  N    . ASN   A 49  ? 0.97578 0.82817 1.01446 -0.06551 0.09554  -0.11533 49  ASN   A N    
519  C  CA   . ASN   A 49  ? 0.95167 0.89197 1.02692 -0.01440 0.09009  -0.08380 49  ASN   A CA   
520  C  C    . ASN   A 49  ? 0.92872 0.75384 1.02973 -0.04640 -0.00046 -0.09352 49  ASN   A C    
521  O  O    . ASN   A 49  ? 1.03713 0.60239 1.10348 -0.03016 -0.11943 -0.10811 49  ASN   A O    
522  C  CB   . ASN   A 49  ? 0.97024 1.01389 1.02342 0.09822  0.14224  -0.06345 49  ASN   A CB   
523  C  CG   . ASN   A 49  ? 1.07525 1.16082 1.00292 0.24784  0.18441  -0.05753 49  ASN   A CG   
524  O  OD1  . ASN   A 49  ? 1.18193 1.28578 0.98597 0.34607  0.18734  -0.04718 49  ASN   A OD1  
525  N  ND2  . ASN   A 49  ? 1.12100 1.14260 0.99288 0.24571  0.22158  -0.05663 49  ASN   A ND2  
526  N  N    . ALA   A 50  ? 0.81345 0.65713 1.01414 0.04648  -0.00597 -0.11206 50  ALA   A N    
527  C  CA   . ALA   A 50  ? 0.76353 0.64818 0.96667 0.06576  -0.04715 -0.08934 50  ALA   A CA   
528  C  C    . ALA   A 50  ? 0.87949 0.71061 0.93043 0.05857  -0.05573 -0.07327 50  ALA   A C    
529  O  O    . ALA   A 50  ? 1.01039 0.90225 0.93290 -0.05321 -0.00659 -0.05478 50  ALA   A O    
530  C  CB   . ALA   A 50  ? 0.74261 0.65295 0.97059 0.15370  -0.04015 -0.08806 50  ALA   A CB   
531  N  N    . GLU   A 51  ? 0.87498 0.62429 0.88090 0.07028  -0.08185 -0.05818 51  GLU   A N    
532  C  CA   . GLU   A 51  ? 1.12714 0.82788 0.84256 0.18862  -0.08414 0.02099  51  GLU   A CA   
533  C  C    . GLU   A 51  ? 1.16019 1.06113 0.76572 0.14764  -0.13411 0.03385  51  GLU   A C    
534  O  O    . GLU   A 51  ? 1.24594 1.13163 0.75143 0.18047  -0.15396 -0.06275 51  GLU   A O    
535  C  CB   . GLU   A 51  ? 1.23606 0.88397 0.87440 0.25249  -0.02104 0.06840  51  GLU   A CB   
536  C  CG   . GLU   A 51  ? 1.27393 1.17621 0.90555 0.14730  0.03253  0.06267  51  GLU   A CG   
537  C  CD   . GLU   A 51  ? 1.15266 1.48846 0.93095 0.17246  0.05272  0.06083  51  GLU   A CD   
538  O  OE1  . GLU   A 51  ? 0.81180 1.66571 0.93406 0.18499  0.06641  0.07309  51  GLU   A OE1  
539  O  OE2  . GLU   A 51  ? 1.28396 1.55741 0.95182 0.19189  0.02979  0.08476  51  GLU   A OE2  
540  N  N    . SER   A 52  ? 0.97018 1.08616 0.70116 0.09826  -0.14783 0.07154  52  SER   A N    
541  C  CA   . SER   A 52  ? 0.82381 0.94708 0.63091 0.30943  0.01318  0.11979  52  SER   A CA   
542  C  C    . SER   A 52  ? 0.68404 0.78223 0.52947 0.26039  0.03777  -0.00388 52  SER   A C    
543  O  O    . SER   A 52  ? 0.55871 0.58669 0.42325 0.22885  -0.02945 -0.15052 52  SER   A O    
544  C  CB   . SER   A 52  ? 0.87985 1.13600 0.67345 0.23706  0.12579  0.29997  52  SER   A CB   
545  O  OG   . SER   A 52  ? 0.84984 1.16788 0.69708 0.09303  0.17665  0.32595  52  SER   A OG   
546  N  N    . ARG   A 53  ? 0.59253 0.81061 0.52736 0.26181  0.05665  0.05319  53  ARG   A N    
547  C  CA   . ARG   A 53  ? 0.51678 0.54587 0.52416 0.20769  0.06555  0.03260  53  ARG   A CA   
548  C  C    . ARG   A 53  ? 0.46200 0.40391 0.46053 -0.02355 0.07647  0.00061  53  ARG   A C    
549  O  O    . ARG   A 53  ? 0.39244 0.35631 0.45925 0.03722  0.02196  0.03117  53  ARG   A O    
550  C  CB   . ARG   A 53  ? 0.65904 0.49117 0.60126 0.22878  0.05093  0.11378  53  ARG   A CB   
551  C  CG   . ARG   A 53  ? 0.76317 0.43403 0.66014 0.22009  0.05727  0.11712  53  ARG   A CG   
552  C  CD   . ARG   A 53  ? 0.88317 0.35810 0.71814 0.12057  0.00734  0.08941  53  ARG   A CD   
553  N  NE   . ARG   A 53  ? 1.03916 0.56832 0.77754 -0.02592 0.01792  0.10261  53  ARG   A NE   
554  C  CZ   . ARG   A 53  ? 1.06345 0.71862 0.81156 0.05161  0.02386  0.11422  53  ARG   A CZ   
555  N  NH1  . ARG   A 53  ? 1.09445 0.80239 0.82040 0.15113  0.05184  0.07733  53  ARG   A NH1  
556  N  NH2  . ARG   A 53  ? 1.03449 0.78499 0.82869 0.05728  -0.00313 0.10108  53  ARG   A NH2  
557  N  N    . TYR   A 54  ? 0.39417 0.35531 0.42308 0.04712  0.08327  0.01350  54  TYR   A N    
558  C  CA   . TYR   A 54  ? 0.34451 0.31710 0.38596 -0.02369 0.05020  0.00449  54  TYR   A CA   
559  C  C    . TYR   A 54  ? 0.30538 0.32814 0.37377 0.06271  0.05340  -0.01537 54  TYR   A C    
560  O  O    . TYR   A 54  ? 0.40156 0.37670 0.35978 -0.02692 0.06842  -0.02491 54  TYR   A O    
561  C  CB   . TYR   A 54  ? 0.39615 0.33065 0.34200 -0.05742 0.03454  0.02549  54  TYR   A CB   
562  C  CG   . TYR   A 54  ? 0.37882 0.44466 0.34158 -0.03009 0.01171  0.05660  54  TYR   A CG   
563  C  CD1  . TYR   A 54  ? 0.31432 0.37195 0.32995 -0.02236 -0.00611 0.04503  54  TYR   A CD1  
564  C  CD2  . TYR   A 54  ? 0.43264 0.39873 0.32530 -0.09126 0.06819  -0.01439 54  TYR   A CD2  
565  C  CE1  . TYR   A 54  ? 0.33939 0.41720 0.34835 0.09017  0.00614  0.00454  54  TYR   A CE1  
566  C  CE2  . TYR   A 54  ? 0.41805 0.42496 0.32739 0.00213  -0.01776 0.03105  54  TYR   A CE2  
567  C  CZ   . TYR   A 54  ? 0.37158 0.40294 0.32446 -0.02868 -0.00186 0.03978  54  TYR   A CZ   
568  O  OH   . TYR   A 54  ? 0.47425 0.39221 0.31749 -0.02687 -0.04869 0.01640  54  TYR   A OH   
578  N  N    . VAL   A 55  ? 0.32579 0.34264 0.36012 0.01226  -0.00124 0.00455  55  VAL   A N    
579  C  CA   . VAL   A 55  ? 0.32474 0.40791 0.35493 0.04923  0.00915  -0.00996 55  VAL   A CA   
580  C  C    . VAL   A 55  ? 0.41689 0.38952 0.35436 0.01095  -0.02554 -0.08603 55  VAL   A C    
581  O  O    . VAL   A 55  ? 0.41514 0.44781 0.39243 -0.02637 -0.02892 -0.01963 55  VAL   A O    
582  C  CB   . VAL   A 55  ? 0.37725 0.40820 0.36955 0.05768  -0.01719 0.03579  55  VAL   A CB   
583  C  CG1  . VAL   A 55  ? 0.33989 0.49890 0.37476 -0.01511 0.04300  0.02284  55  VAL   A CG1  
584  C  CG2  . VAL   A 55  ? 0.47839 0.42048 0.36254 -0.07653 0.01211  0.00578  55  VAL   A CG2  
594  N  N    . LEU   A 56  ? 0.40955 0.34601 0.38044 -0.06786 0.02665  -0.05322 56  LEU   A N    
595  C  CA   . LEU   A 56  ? 0.49721 0.39223 0.41980 -0.08303 0.00861  -0.00621 56  LEU   A CA   
596  C  C    . LEU   A 56  ? 0.43793 0.34366 0.38725 -0.03439 0.02045  -0.02497 56  LEU   A C    
597  O  O    . LEU   A 56  ? 0.45913 0.31287 0.37510 0.01280  -0.06490 -0.04117 56  LEU   A O    
598  C  CB   . LEU   A 56  ? 0.46829 0.34879 0.46072 -0.14941 -0.05631 0.04625  56  LEU   A CB   
599  C  CG   . LEU   A 56  ? 0.47539 0.35673 0.44109 0.02900  -0.13631 -0.01126 56  LEU   A CG   
600  C  CD1  . LEU   A 56  ? 0.41958 0.33886 0.42536 0.00335  -0.13732 0.02262  56  LEU   A CD1  
601  C  CD2  . LEU   A 56  ? 0.59570 0.60578 0.45994 0.05980  -0.18160 0.03043  56  LEU   A CD2  
613  N  N    . THR   A 57  ? 0.43615 0.36363 0.37662 -0.06288 0.02201  -0.02693 57  THR   A N    
614  C  CA   . THR   A 57  ? 0.32475 0.42544 0.37017 -0.06018 -0.00145 -0.03404 57  THR   A CA   
615  C  C    . THR   A 57  ? 0.32995 0.37029 0.33328 -0.07404 0.00853  -0.04728 57  THR   A C    
616  O  O    . THR   A 57  ? 0.36516 0.43317 0.33683 -0.07523 -0.06503 -0.02237 57  THR   A O    
617  C  CB   . THR   A 57  ? 0.45246 0.52001 0.40096 -0.05212 0.03668  -0.07243 57  THR   A CB   
618  O  OG1  . THR   A 57  ? 0.50050 0.71004 0.44507 -0.01244 0.04513  -0.02856 57  THR   A OG1  
619  C  CG2  . THR   A 57  ? 0.39950 0.41498 0.38783 0.01172  0.11738  -0.04261 57  THR   A CG2  
627  N  N    . GLY   A 58  ? 0.39492 0.35709 0.32303 -0.01973 0.04961  0.03735  58  GLY   A N    
628  C  CA   . GLY   A 58  ? 0.33253 0.31249 0.36032 -0.00495 0.01376  -0.00192 58  GLY   A CA   
629  C  C    . GLY   A 58  ? 0.33890 0.27825 0.35904 -0.01895 -0.00103 -0.04144 58  GLY   A C    
630  O  O    . GLY   A 58  ? 0.33352 0.31469 0.38331 -0.00673 -0.03587 -0.04957 58  GLY   A O    
634  N  N    . ARG   A 59  ? 0.34022 0.29689 0.38528 -0.02074 0.00815  -0.02473 59  ARG   A N    
635  C  CA   . ARG   A 59  ? 0.40982 0.31106 0.34861 0.01910  -0.05836 -0.03370 59  ARG   A CA   
636  C  C    . ARG   A 59  ? 0.33668 0.41363 0.34495 0.12202  -0.05621 -0.06242 59  ARG   A C    
637  O  O    . ARG   A 59  ? 0.35812 0.45776 0.32522 0.00462  -0.04344 -0.01136 59  ARG   A O    
638  C  CB   . ARG   A 59  ? 0.46339 0.37572 0.35413 0.05252  0.01009  -0.04391 59  ARG   A CB   
639  C  CG   . ARG   A 59  ? 0.42669 0.35671 0.32651 0.00815  0.03917  -0.08703 59  ARG   A CG   
640  C  CD   . ARG   A 59  ? 0.37584 0.37266 0.31978 -0.02135 0.01392  -0.04298 59  ARG   A CD   
641  N  NE   . ARG   A 59  ? 0.39918 0.43606 0.31708 -0.00884 -0.01060 -0.09651 59  ARG   A NE   
642  C  CZ   . ARG   A 59  ? 0.37709 0.36524 0.34639 -0.11928 0.02969  0.02235  59  ARG   A CZ   
643  N  NH1  . ARG   A 59  ? 0.32698 0.37371 0.39752 -0.01797 -0.01112 0.02508  59  ARG   A NH1  
644  N  NH2  . ARG   A 59  ? 0.43998 0.43478 0.33047 -0.02021 0.09458  -0.01918 59  ARG   A NH2  
658  N  N    . TYR   A 60  ? 0.39423 0.35455 0.36220 -0.01645 0.00710  -0.02413 60  TYR   A N    
659  C  CA   . TYR   A 60  ? 0.39957 0.38252 0.36699 -0.05641 0.01560  -0.03826 60  TYR   A CA   
660  C  C    . TYR   A 60  ? 0.42529 0.37273 0.34578 0.05166  0.00568  -0.05542 60  TYR   A C    
661  O  O    . TYR   A 60  ? 0.42766 0.33456 0.36188 0.03593  -0.00024 0.00646  60  TYR   A O    
662  C  CB   . TYR   A 60  ? 0.29604 0.38918 0.39556 0.00286  -0.00485 0.00609  60  TYR   A CB   
663  C  CG   . TYR   A 60  ? 0.27415 0.31292 0.41575 -0.04509 -0.00512 -0.07902 60  TYR   A CG   
664  C  CD1  . TYR   A 60  ? 0.34104 0.37608 0.43826 0.01473  -0.01047 -0.05854 60  TYR   A CD1  
665  C  CD2  . TYR   A 60  ? 0.43521 0.22194 0.43749 -0.00201 0.00161  -0.06261 60  TYR   A CD2  
666  C  CE1  . TYR   A 60  ? 0.47859 0.35135 0.43635 0.00186  0.01020  -0.00839 60  TYR   A CE1  
667  C  CE2  . TYR   A 60  ? 0.44881 0.33997 0.44225 0.00084  -0.05170 -0.08145 60  TYR   A CE2  
668  C  CZ   . TYR   A 60  ? 0.54672 0.39628 0.43634 -0.03554 -0.00106 -0.05088 60  TYR   A CZ   
669  O  OH   . TYR   A 60  ? 0.53653 0.48405 0.41817 -0.06361 -0.06058 -0.08687 60  TYR   A OH   
679  N  N    . ASP   A 61  ? 0.42130 0.40266 0.30261 0.03674  -0.04201 -0.02601 61  ASP   A N    
680  C  CA   . ASP   A 61  ? 0.45025 0.33892 0.34618 0.07481  -0.06671 -0.00260 61  ASP   A CA   
681  C  C    . ASP   A 61  ? 0.45793 0.38507 0.39935 0.07740  -0.06029 -0.02802 61  ASP   A C    
682  O  O    . ASP   A 61  ? 0.48445 0.42186 0.41352 0.06900  0.01038  -0.00258 61  ASP   A O    
683  C  CB   . ASP   A 61  ? 0.50262 0.31817 0.35732 0.05448  -0.03543 -0.00931 61  ASP   A CB   
684  C  CG   . ASP   A 61  ? 0.54367 0.30269 0.39448 0.02831  -0.01411 -0.02330 61  ASP   A CG   
685  O  OD1  . ASP   A 61  ? 0.61600 0.34335 0.43815 -0.05348 0.01565  -0.06283 61  ASP   A OD1  
686  O  OD2  . ASP   A 61  ? 0.51663 0.41760 0.40227 -0.04180 0.00027  -0.01097 61  ASP   A OD2  
691  N  N    . SER   A 62  ? 0.49345 0.35307 0.43839 -0.00232 -0.02467 -0.00964 62  SER   A N    
692  C  CA   . SER   A 62  ? 0.46694 0.35381 0.51419 0.06795  -0.06752 -0.06521 62  SER   A CA   
693  C  C    . SER   A 62  ? 0.57443 0.50156 0.52857 -0.00396 -0.09971 -0.10002 62  SER   A C    
694  O  O    . SER   A 62  ? 0.60645 0.43584 0.55653 -0.03563 -0.12822 -0.14238 62  SER   A O    
695  C  CB   . SER   A 62  ? 0.47958 0.40579 0.58691 0.01870  -0.08757 -0.00197 62  SER   A CB   
696  O  OG   . SER   A 62  ? 0.61719 0.38540 0.65735 -0.02963 -0.15076 -0.00837 62  SER   A OG   
702  N  N    . ALA   A 63  ? 0.53831 0.43520 0.51163 -0.03473 -0.01800 -0.11574 63  ALA   A N    
703  C  CA   . ALA   A 63  ? 0.49016 0.56141 0.52408 0.02592  0.02322  -0.13547 63  ALA   A CA   
704  C  C    . ALA   A 63  ? 0.70986 0.51423 0.55283 -0.00381 0.06657  -0.11064 63  ALA   A C    
705  O  O    . ALA   A 63  ? 0.84110 0.55323 0.52135 -0.00993 0.05284  -0.16371 63  ALA   A O    
706  C  CB   . ALA   A 63  ? 0.50081 0.64918 0.51183 -0.17605 0.06036  -0.15926 63  ALA   A CB   
712  N  N    . PRO   A 64  ? 0.71552 0.44699 0.61821 0.11703  0.08908  -0.08759 64  PRO   A N    
713  C  CA   . PRO   A 64  ? 0.66943 0.55446 0.64698 0.07727  0.11158  -0.10958 64  PRO   A CA   
714  C  C    . PRO   A 64  ? 0.69526 0.73311 0.68675 0.07913  0.15193  -0.16027 64  PRO   A C    
715  O  O    . PRO   A 64  ? 0.60319 0.81766 0.67624 0.04243  0.10862  -0.16855 64  PRO   A O    
716  C  CB   . PRO   A 64  ? 0.75220 0.52137 0.66478 0.07429  0.08917  -0.10631 64  PRO   A CB   
717  C  CG   . PRO   A 64  ? 0.81861 0.57095 0.67434 0.13055  0.08563  -0.08424 64  PRO   A CG   
718  C  CD   . PRO   A 64  ? 0.77741 0.57242 0.65913 0.17614  0.08457  -0.08160 64  PRO   A CD   
726  N  N    . ALA   A 65  ? 0.71747 0.79724 0.72469 0.02648  0.20639  -0.21817 65  ALA   A N    
727  C  CA   . ALA   A 65  ? 0.88733 0.90225 0.75663 -0.06462 0.21217  -0.23812 65  ALA   A CA   
728  C  C    . ALA   A 65  ? 1.06148 0.93096 0.77611 -0.14119 0.25824  -0.29623 65  ALA   A C    
729  O  O    . ALA   A 65  ? 1.14287 0.90475 0.79831 -0.18454 0.32283  -0.25663 65  ALA   A O    
730  C  CB   . ALA   A 65  ? 0.84188 0.90483 0.76302 -0.14194 0.22496  -0.21465 65  ALA   A CB   
736  N  N    . THR   A 66  ? 1.16414 1.04125 0.78643 -0.17802 0.25819  -0.29993 66  THR   A N    
737  C  CA   . THR   A 66  ? 1.25712 1.08659 0.78471 -0.25853 0.27284  -0.29984 66  THR   A CA   
738  C  C    . THR   A 66  ? 1.16998 1.15376 0.78502 -0.18624 0.26835  -0.25119 66  THR   A C    
739  O  O    . THR   A 66  ? 1.15204 1.17080 0.80866 -0.28940 0.21223  -0.23925 66  THR   A O    
740  C  CB   . THR   A 66  ? 1.43353 1.02275 0.79679 -0.38554 0.26736  -0.29885 66  THR   A CB   
741  O  OG1  . THR   A 66  ? 1.49834 1.09499 0.80172 -0.41168 0.27166  -0.31503 66  THR   A OG1  
742  C  CG2  . THR   A 66  ? 1.49892 0.95746 0.80066 -0.39700 0.24404  -0.30475 66  THR   A CG2  
750  N  N    . ASP   A 67  ? 1.13273 1.12114 0.75704 -0.04505 0.27859  -0.20133 67  ASP   A N    
751  C  CA   . ASP   A 67  ? 1.16480 1.06111 0.74502 0.07072  0.20713  -0.13304 67  ASP   A CA   
752  C  C    . ASP   A 67  ? 1.00336 0.92407 0.73389 0.01859  0.15041  -0.14241 67  ASP   A C    
753  O  O    . ASP   A 67  ? 0.99224 0.97689 0.75294 -0.04894 0.12480  -0.15902 67  ASP   A O    
754  C  CB   . ASP   A 67  ? 1.35292 1.10036 0.73921 0.23442  0.23465  -0.05552 67  ASP   A CB   
755  C  CG   . ASP   A 67  ? 1.53517 1.20463 0.74878 0.36539  0.27259  0.01547  67  ASP   A CG   
756  O  OD1  . ASP   A 67  ? 1.62711 1.27507 0.75378 0.42457  0.26241  0.05080  67  ASP   A OD1  
757  O  OD2  . ASP   A 67  ? 1.60561 1.21248 0.75054 0.37362  0.32327  0.03422  67  ASP   A OD2  
762  N  N    . GLY   A 68  ? 0.82378 0.74043 0.69096 0.10233  0.16599  -0.11777 68  GLY   A N    
763  C  CA   . GLY   A 68  ? 0.63872 0.61663 0.65653 0.24052  0.17065  -0.10002 68  GLY   A CA   
764  C  C    . GLY   A 68  ? 0.64189 0.65141 0.62744 0.17499  0.12192  -0.08578 68  GLY   A C    
765  O  O    . GLY   A 68  ? 0.62663 0.71434 0.64829 0.15799  0.11254  -0.07267 68  GLY   A O    
769  N  N    . SER   A 69  ? 0.57744 0.56539 0.59146 0.10144  0.12032  -0.08638 69  SER   A N    
770  C  CA   . SER   A 69  ? 0.58883 0.47225 0.55323 -0.04655 0.11123  -0.06835 69  SER   A CA   
771  C  C    . SER   A 69  ? 0.52481 0.29597 0.51438 -0.03837 0.08114  -0.05896 69  SER   A C    
772  O  O    . SER   A 69  ? 0.50187 0.36793 0.51428 -0.07264 0.10348  -0.12430 69  SER   A O    
773  C  CB   . SER   A 69  ? 0.83696 0.58443 0.57753 0.03131  0.16148  -0.04302 69  SER   A CB   
774  O  OG   . SER   A 69  ? 0.94284 0.67822 0.61107 0.11637  0.19586  -0.09971 69  SER   A OG   
780  N  N    . GLY   A 70  ? 0.51087 0.34078 0.47126 -0.00582 0.07613  -0.04335 70  GLY   A N    
781  C  CA   . GLY   A 70  ? 0.44898 0.43540 0.42445 -0.02462 0.12299  0.03471  70  GLY   A CA   
782  C  C    . GLY   A 70  ? 0.45291 0.37084 0.40553 0.04642  0.03881  0.03592  70  GLY   A C    
783  O  O    . GLY   A 70  ? 0.46430 0.43179 0.42362 -0.00896 0.02247  -0.01181 70  GLY   A O    
787  N  N    . THR   A 71  ? 0.47971 0.34733 0.37905 -0.00933 0.05348  0.02780  71  THR   A N    
788  C  CA   . THR   A 71  ? 0.40730 0.41371 0.38467 0.07684  0.01789  -0.02241 71  THR   A CA   
789  C  C    . THR   A 71  ? 0.39721 0.36699 0.37548 0.12863  0.02028  -0.01698 71  THR   A C    
790  O  O    . THR   A 71  ? 0.41115 0.35001 0.37178 0.00060  0.01991  0.01088  71  THR   A O    
791  C  CB   . THR   A 71  ? 0.40982 0.42041 0.41323 0.09824  0.01961  -0.06114 71  THR   A CB   
792  O  OG1  . THR   A 71  ? 0.52502 0.43333 0.41146 0.09091  0.01790  -0.11066 71  THR   A OG1  
793  C  CG2  . THR   A 71  ? 0.38685 0.40960 0.45491 -0.01197 -0.00268 0.07154  71  THR   A CG2  
801  N  N    . ALA   A 72  ? 0.35560 0.36497 0.38129 0.08156  0.05457  -0.01698 72  ALA   A N    
802  C  CA   . ALA   A 72  ? 0.36248 0.41661 0.36683 0.09007  0.04142  -0.01219 72  ALA   A CA   
803  C  C    . ALA   A 72  ? 0.41556 0.38687 0.36660 0.03312  -0.00324 -0.01791 72  ALA   A C    
804  O  O    . ALA   A 72  ? 0.42095 0.41039 0.36776 0.11032  0.03147  -0.02316 72  ALA   A O    
805  C  CB   . ALA   A 72  ? 0.46249 0.44001 0.38293 0.08053  0.01767  0.00695  72  ALA   A CB   
811  N  N    . LEU   A 73  ? 0.35737 0.40686 0.38571 -0.00873 -0.03078 -0.06072 73  LEU   A N    
812  C  CA   . LEU   A 73  ? 0.40320 0.39223 0.39142 0.00566  -0.00979 -0.03591 73  LEU   A CA   
813  C  C    . LEU   A 73  ? 0.35586 0.39246 0.36327 -0.00192 -0.03812 -0.01775 73  LEU   A C    
814  O  O    . LEU   A 73  ? 0.41439 0.41177 0.35258 -0.00473 -0.03142 -0.03389 73  LEU   A O    
815  C  CB   . LEU   A 73  ? 0.36162 0.38167 0.43887 0.10347  0.03368  -0.02728 73  LEU   A CB   
816  C  CG   . LEU   A 73  ? 0.57655 0.29550 0.47641 0.14711  -0.01592 -0.01778 73  LEU   A CG   
817  C  CD1  . LEU   A 73  ? 0.68190 0.49534 0.48813 0.11444  0.03863  -0.04910 73  LEU   A CD1  
818  C  CD2  . LEU   A 73  ? 0.53936 0.37876 0.51447 0.12725  -0.05289 -0.05092 73  LEU   A CD2  
830  N  N    . GLY   A 74  ? 0.40601 0.32815 0.34401 -0.01664 -0.03255 -0.02831 74  GLY   A N    
831  C  CA   . GLY   A 74  ? 0.33471 0.28078 0.31339 -0.03351 -0.05514 -0.00321 74  GLY   A CA   
832  C  C    . GLY   A 74  ? 0.33040 0.32864 0.30112 -0.05293 -0.01088 -0.03832 74  GLY   A C    
833  O  O    . GLY   A 74  ? 0.33696 0.34298 0.30161 0.00542  0.00388  -0.02788 74  GLY   A O    
837  N  N    . TRP   A 75  ? 0.32683 0.36616 0.28563 0.05535  -0.01686 -0.06499 75  TRP   A N    
838  C  CA   . TRP   A 75  ? 0.34719 0.34799 0.32462 -0.01393 0.04150  -0.05499 75  TRP   A CA   
839  C  C    . TRP   A 75  ? 0.30712 0.39791 0.33555 -0.06945 0.00351  -0.00425 75  TRP   A C    
840  O  O    . TRP   A 75  ? 0.28274 0.38309 0.33939 -0.02339 -0.00601 0.04157  75  TRP   A O    
841  C  CB   . TRP   A 75  ? 0.44367 0.33079 0.33912 -0.06169 0.07295  -0.06606 75  TRP   A CB   
842  C  CG   . TRP   A 75  ? 0.37883 0.32913 0.33069 -0.00550 0.01959  -0.04536 75  TRP   A CG   
843  C  CD1  . TRP   A 75  ? 0.41029 0.32844 0.32475 -0.06799 0.01545  -0.04842 75  TRP   A CD1  
844  C  CD2  . TRP   A 75  ? 0.29718 0.31817 0.36899 0.04028  -0.01664 0.00200  75  TRP   A CD2  
845  N  NE1  . TRP   A 75  ? 0.38617 0.36969 0.33750 -0.05484 0.01657  -0.03859 75  TRP   A NE1  
846  C  CE2  . TRP   A 75  ? 0.27768 0.32265 0.36910 -0.01592 0.02420  0.01234  75  TRP   A CE2  
847  C  CE3  . TRP   A 75  ? 0.30934 0.37973 0.39628 0.00814  0.02199  -0.01061 75  TRP   A CE3  
848  C  CZ2  . TRP   A 75  ? 0.42488 0.34332 0.39930 0.03604  0.07068  0.05315  75  TRP   A CZ2  
849  C  CZ3  . TRP   A 75  ? 0.45040 0.39209 0.41117 0.06914  -0.00891 0.03680  75  TRP   A CZ3  
850  C  CH2  . TRP   A 75  ? 0.37809 0.34813 0.38441 0.02029  0.06455  0.02404  75  TRP   A CH2  
861  N  N    . THR   A 76  ? 0.32593 0.30555 0.37133 -0.04109 0.03493  -0.01393 76  THR   A N    
862  C  CA   . THR   A 76  ? 0.29270 0.37585 0.32876 -0.01916 0.08322  -0.02941 76  THR   A CA   
863  C  C    . THR   A 76  ? 0.29731 0.28041 0.35833 -0.04848 0.01622  0.00624  76  THR   A C    
864  O  O    . THR   A 76  ? 0.35380 0.30730 0.35152 -0.02697 -0.02425 -0.01231 76  THR   A O    
865  C  CB   . THR   A 76  ? 0.26570 0.40246 0.31885 -0.00692 0.11522  -0.01832 76  THR   A CB   
866  O  OG1  . THR   A 76  ? 0.40132 0.42307 0.34062 -0.01636 0.08736  0.01688  76  THR   A OG1  
867  C  CG2  . THR   A 76  ? 0.39182 0.39335 0.31857 -0.00385 0.09307  0.00356  76  THR   A CG2  
875  N  N    . VAL   A 77  ? 0.36802 0.32310 0.32915 -0.07884 0.02751  0.02896  77  VAL   A N    
876  C  CA   . VAL   A 77  ? 0.31708 0.26435 0.34444 0.05227  0.06039  0.05427  77  VAL   A CA   
877  C  C    . VAL   A 77  ? 0.37642 0.36424 0.35262 0.02464  0.01892  -0.00900 77  VAL   A C    
878  O  O    . VAL   A 77  ? 0.32792 0.41408 0.37081 -0.01396 0.01560  0.00399  77  VAL   A O    
879  C  CB   . VAL   A 77  ? 0.33330 0.35871 0.32700 -0.05752 0.00665  0.03043  77  VAL   A CB   
880  C  CG1  . VAL   A 77  ? 0.31098 0.51178 0.33680 -0.00540 -0.04357 0.03968  77  VAL   A CG1  
881  C  CG2  . VAL   A 77  ? 0.40277 0.45072 0.34586 0.02126  -0.06958 -0.02380 77  VAL   A CG2  
891  N  N    . ALA   A 78  ? 0.36932 0.35043 0.37555 0.00046  0.03310  -0.05416 78  ALA   A N    
892  C  CA   . ALA   A 78  ? 0.42353 0.38614 0.34307 0.10520  0.02071  0.00815  78  ALA   A CA   
893  C  C    . ALA   A 78  ? 0.32421 0.46586 0.35655 0.04733  0.01822  0.04050  78  ALA   A C    
894  O  O    . ALA   A 78  ? 0.39294 0.54338 0.35804 -0.09231 0.07396  0.09343  78  ALA   A O    
895  C  CB   . ALA   A 78  ? 0.43243 0.40413 0.35748 0.08786  0.01732  -0.02742 78  ALA   A CB   
901  N  N    . TRP   A 79  ? 0.33878 0.43000 0.31387 -0.03614 -0.02199 -0.02878 79  TRP   A N    
902  C  CA   . TRP   A 79  ? 0.38972 0.36072 0.30696 -0.10103 -0.02050 -0.04938 79  TRP   A CA   
903  C  C    . TRP   A 79  ? 0.41169 0.39372 0.31128 -0.02961 -0.01539 -0.00990 79  TRP   A C    
904  O  O    . TRP   A 79  ? 0.44050 0.41759 0.29564 -0.07415 -0.00356 -0.02228 79  TRP   A O    
905  C  CB   . TRP   A 79  ? 0.44359 0.38065 0.30999 -0.12133 -0.01717 -0.03728 79  TRP   A CB   
906  C  CG   . TRP   A 79  ? 0.42061 0.42831 0.32154 -0.02936 0.00483  0.00852  79  TRP   A CG   
907  C  CD1  . TRP   A 79  ? 0.34011 0.44422 0.33853 -0.03056 0.07400  -0.00468 79  TRP   A CD1  
908  C  CD2  . TRP   A 79  ? 0.42068 0.34575 0.32864 -0.10723 0.00757  0.02663  79  TRP   A CD2  
909  N  NE1  . TRP   A 79  ? 0.41448 0.37959 0.31904 -0.06488 0.07127  -0.00361 79  TRP   A NE1  
910  C  CE2  . TRP   A 79  ? 0.39073 0.35576 0.33224 -0.02779 0.02501  0.01168  79  TRP   A CE2  
911  C  CE3  . TRP   A 79  ? 0.43429 0.36886 0.33174 -0.01124 -0.00554 -0.02688 79  TRP   A CE3  
912  C  CZ2  . TRP   A 79  ? 0.34489 0.42038 0.33015 -0.03502 0.02993  0.02686  79  TRP   A CZ2  
913  C  CZ3  . TRP   A 79  ? 0.42331 0.42044 0.34125 0.02393  0.02912  0.05237  79  TRP   A CZ3  
914  C  CH2  . TRP   A 79  ? 0.41474 0.35387 0.34966 0.01195  0.00938  0.06072  79  TRP   A CH2  
925  N  N    . LYS   A 80  ? 0.38972 0.42301 0.33887 -0.00349 0.01964  -0.01943 80  LYS   A N    
926  C  CA   . LYS   A 80  ? 0.42121 0.46774 0.32527 -0.01865 0.05549  0.00839  80  LYS   A CA   
927  C  C    . LYS   A 80  ? 0.35662 0.40675 0.33046 -0.01857 0.03845  0.06370  80  LYS   A C    
928  O  O    . LYS   A 80  ? 0.33340 0.40399 0.37430 0.00603  0.05805  0.03205  80  LYS   A O    
929  C  CB   . LYS   A 80  ? 0.39108 0.51498 0.35117 -0.04443 0.06642  0.04037  80  LYS   A CB   
930  C  CG   . LYS   A 80  ? 0.41987 0.34825 0.40848 0.02358  0.06243  0.02360  80  LYS   A CG   
931  C  CD   . LYS   A 80  ? 0.52063 0.49714 0.46402 0.01793  0.15717  0.08678  80  LYS   A CD   
932  C  CE   . LYS   A 80  ? 0.55194 0.46339 0.52423 0.01597  0.17991  0.07977  80  LYS   A CE   
933  N  NZ   . LYS   A 80  ? 0.67922 0.58102 0.56667 0.09008  0.13585  0.12116  80  LYS   A NZ   
947  N  N    . ASN   A 81  ? 0.43810 0.36602 0.31265 -0.05662 -0.00518 0.02026  81  ASN   A N    
948  C  CA   . ASN   A 81  ? 0.35420 0.36013 0.32983 0.00313  0.03326  0.03916  81  ASN   A CA   
949  C  C    . ASN   A 81  ? 0.45489 0.36944 0.36742 -0.10029 0.06437  0.00413  81  ASN   A C    
950  O  O    . ASN   A 81  ? 0.41214 0.46519 0.40260 -0.04886 0.03152  -0.02974 81  ASN   A O    
951  C  CB   . ASN   A 81  ? 0.37468 0.46502 0.35498 -0.02767 0.03813  -0.01255 81  ASN   A CB   
952  C  CG   . ASN   A 81  ? 0.35864 0.38101 0.40221 -0.12729 0.09067  -0.00127 81  ASN   A CG   
953  O  OD1  . ASN   A 81  ? 0.42413 0.41914 0.41642 -0.00539 0.00788  0.00107  81  ASN   A OD1  
954  N  ND2  . ASN   A 81  ? 0.37311 0.37561 0.44714 -0.05209 0.11302  0.04148  81  ASN   A ND2  
961  N  N    . ASN   A 82  ? 0.53499 0.43618 0.40791 -0.11980 0.07713  0.02294  82  ASN   A N    
962  C  CA   . ASN   A 82  ? 0.47102 0.45918 0.40894 -0.11904 0.05137  0.04477  82  ASN   A CA   
963  C  C    . ASN   A 82  ? 0.49457 0.47899 0.35798 -0.13500 0.08244  0.01651  82  ASN   A C    
964  O  O    . ASN   A 82  ? 0.60656 0.56183 0.34481 -0.09452 0.17250  0.05231  82  ASN   A O    
965  C  CB   . ASN   A 82  ? 0.59112 0.69164 0.48860 -0.28701 0.03032  0.03158  82  ASN   A CB   
966  C  CG   . ASN   A 82  ? 0.88493 0.82948 0.56955 -0.16406 0.06833  -0.00889 82  ASN   A CG   
967  O  OD1  . ASN   A 82  ? 1.00274 0.81427 0.59781 -0.13725 0.07102  0.00279  82  ASN   A OD1  
968  N  ND2  . ASN   A 82  ? 0.97705 0.84215 0.59801 -0.11059 0.07176  -0.03094 82  ASN   A ND2  
975  N  N    . TYR   A 83  ? 0.53480 0.44606 0.33837 -0.11749 -0.02996 0.01465  83  TYR   A N    
976  C  CA   . TYR   A 83  ? 0.43762 0.43863 0.31262 -0.13411 -0.00561 0.01847  83  TYR   A CA   
977  C  C    . TYR   A 83  ? 0.51524 0.44529 0.29951 -0.08728 -0.01030 0.00165  83  TYR   A C    
978  O  O    . TYR   A 83  ? 0.55358 0.45699 0.28882 -0.01366 -0.02145 -0.01471 83  TYR   A O    
979  C  CB   . TYR   A 83  ? 0.50340 0.41237 0.35562 0.00188  0.01600  0.01626  83  TYR   A CB   
980  C  CG   . TYR   A 83  ? 0.60152 0.34126 0.42303 -0.04748 0.06858  -0.01183 83  TYR   A CG   
981  C  CD1  . TYR   A 83  ? 0.86725 0.37059 0.46317 -0.08476 0.08965  -0.01267 83  TYR   A CD1  
982  C  CD2  . TYR   A 83  ? 0.77306 0.39734 0.47066 -0.05065 0.00877  -0.01558 83  TYR   A CD2  
983  C  CE1  . TYR   A 83  ? 0.94901 0.41511 0.48961 -0.02173 0.07493  -0.03310 83  TYR   A CE1  
984  C  CE2  . TYR   A 83  ? 0.87388 0.44046 0.50551 -0.02722 0.01670  0.01116  83  TYR   A CE2  
985  C  CZ   . TYR   A 83  ? 0.93243 0.43713 0.50868 0.00362  0.05698  0.00437  83  TYR   A CZ   
986  O  OH   . TYR   A 83  ? 0.98115 0.43245 0.53234 0.03908  0.02392  0.00764  83  TYR   A OH   
996  N  N    . ARG   A 84  ? 0.50367 0.52182 0.34110 0.02975  0.00119  0.03107  84  ARG   A N    
997  C  CA   . ARG   A 84  ? 0.56023 0.59712 0.38797 0.07638  0.03359  -0.03626 84  ARG   A CA   
998  C  C    . ARG   A 84  ? 0.59397 0.41115 0.35562 -0.07193 0.03139  -0.01583 84  ARG   A C    
999  O  O    . ARG   A 84  ? 0.60988 0.50626 0.33344 -0.09737 0.07767  0.06270  84  ARG   A O    
1000 C  CB   . ARG   A 84  ? 0.58407 0.86293 0.45057 0.23865  0.14295  -0.03503 84  ARG   A CB   
1001 C  CG   . ARG   A 84  ? 0.77316 1.15234 0.54808 0.34104  0.14011  -0.01742 84  ARG   A CG   
1002 C  CD   . ARG   A 84  ? 1.00226 1.39768 0.63638 0.29983  0.13553  0.01338  84  ARG   A CD   
1003 N  NE   . ARG   A 84  ? 1.18698 1.53128 0.72231 0.29757  0.10247  0.11331  84  ARG   A NE   
1004 C  CZ   . ARG   A 84  ? 1.29777 1.57242 0.77540 0.30754  0.13669  0.18114  84  ARG   A CZ   
1005 N  NH1  . ARG   A 84  ? 1.33972 1.59848 0.79455 0.29506  0.15916  0.21489  84  ARG   A NH1  
1006 N  NH2  . ARG   A 84  ? 1.35525 1.52923 0.78863 0.30586  0.13961  0.19642  84  ARG   A NH2  
1020 N  N    . ASN   A 85  ? 0.63897 0.27843 0.35054 -0.07720 0.06876  -0.02560 85  ASN   A N    
1021 C  CA   . ASN   A 85  ? 0.52658 0.34810 0.37166 -0.01387 0.00429  -0.02104 85  ASN   A CA   
1022 C  C    . ASN   A 85  ? 0.46203 0.33223 0.35760 -0.05645 0.04943  -0.04689 85  ASN   A C    
1023 O  O    . ASN   A 85  ? 0.56778 0.34857 0.38865 -0.03447 0.03148  -0.03193 85  ASN   A O    
1024 C  CB   . ASN   A 85  ? 0.54818 0.48645 0.35593 -0.01285 -0.01025 -0.02896 85  ASN   A CB   
1025 C  CG   . ASN   A 85  ? 0.54730 0.48246 0.33876 -0.04229 0.00447  0.04802  85  ASN   A CG   
1026 O  OD1  . ASN   A 85  ? 0.54583 0.43178 0.34213 -0.04052 -0.01594 0.06998  85  ASN   A OD1  
1027 N  ND2  . ASN   A 85  ? 0.46612 0.59980 0.36154 -0.04692 0.04272  0.03084  85  ASN   A ND2  
1034 N  N    . ALA   A 86  ? 0.37466 0.40474 0.34489 -0.08171 0.05214  0.02122  86  ALA   A N    
1035 C  CA   . ALA   A 86  ? 0.37451 0.34987 0.33529 -0.10683 0.01387  0.03895  86  ALA   A CA   
1036 C  C    . ALA   A 86  ? 0.39519 0.42661 0.33099 -0.01550 0.02350  0.02757  86  ALA   A C    
1037 O  O    . ALA   A 86  ? 0.49533 0.42858 0.33901 -0.06574 0.04013  -0.00499 86  ALA   A O    
1038 C  CB   . ALA   A 86  ? 0.57590 0.37771 0.34744 0.02750  0.03783  0.05335  86  ALA   A CB   
1044 N  N    . HIS   A 87  ? 0.38828 0.42469 0.34164 -0.05920 0.04169  -0.00205 87  HIS   A N    
1045 C  CA   . HIS   A 87  ? 0.48508 0.42542 0.34656 -0.02482 0.04724  -0.00911 87  HIS   A CA   
1046 C  C    . HIS   A 87  ? 0.43845 0.38738 0.36497 -0.02757 0.06318  0.00621  87  HIS   A C    
1047 O  O    . HIS   A 87  ? 0.56317 0.39768 0.35742 0.01137  0.08259  -0.03756 87  HIS   A O    
1048 C  CB   . HIS   A 87  ? 0.46615 0.45463 0.34922 -0.02925 0.06330  -0.04475 87  HIS   A CB   
1049 C  CG   . HIS   A 87  ? 0.48300 0.64055 0.38013 -0.03485 0.15878  -0.00866 87  HIS   A CG   
1050 N  ND1  . HIS   A 87  ? 0.45323 0.60638 0.38321 -0.10013 0.15630  -0.00416 87  HIS   A ND1  
1051 C  CD2  . HIS   A 87  ? 0.55150 0.84324 0.36889 -0.16351 0.17296  -0.00720 87  HIS   A CD2  
1052 C  CE1  . HIS   A 87  ? 0.57054 0.85438 0.38065 -0.12948 0.14014  -0.01703 87  HIS   A CE1  
1053 N  NE2  . HIS   A 87  ? 0.63665 0.92547 0.39764 -0.17556 0.15844  -0.02520 87  HIS   A NE2  
1061 N  N    . SER   A 88  ? 0.33982 0.38482 0.38069 -0.01856 0.05518  0.05314  88  SER   A N    
1062 C  CA   . SER   A 88  ? 0.43563 0.40453 0.40134 -0.10483 0.03150  0.06028  88  SER   A CA   
1063 C  C    . SER   A 88  ? 0.32512 0.40755 0.37758 -0.01753 0.03480  0.01710  88  SER   A C    
1064 O  O    . SER   A 88  ? 0.33334 0.45270 0.37712 -0.01430 -0.00636 -0.01176 88  SER   A O    
1065 C  CB   . SER   A 88  ? 0.53398 0.54990 0.46225 0.03200  0.07422  0.15609  88  SER   A CB   
1066 O  OG   . SER   A 88  ? 0.51659 0.73137 0.49621 -0.04346 0.05106  0.13260  88  SER   A OG   
1072 N  N    . ALA   A 89  ? 0.31555 0.36056 0.34684 0.03178  0.04680  -0.06371 89  ALA   A N    
1073 C  CA   . ALA   A 89  ? 0.36010 0.49539 0.34052 -0.08416 0.01733  -0.09543 89  ALA   A CA   
1074 C  C    . ALA   A 89  ? 0.34917 0.43027 0.33098 -0.08927 0.03903  -0.07626 89  ALA   A C    
1075 O  O    . ALA   A 89  ? 0.31272 0.40432 0.36300 -0.04351 0.01686  -0.07850 89  ALA   A O    
1076 C  CB   . ALA   A 89  ? 0.38170 0.48732 0.33502 -0.06563 -0.02872 -0.06302 89  ALA   A CB   
1082 N  N    . THR   A 90  ? 0.27659 0.39119 0.31779 0.01392  0.07297  -0.06227 90  THR   A N    
1083 C  CA   . THR   A 90  ? 0.28210 0.30602 0.31553 -0.00794 0.07220  0.00965  90  THR   A CA   
1084 C  C    . THR   A 90  ? 0.38604 0.24804 0.34978 -0.14068 -0.00750 -0.00372 90  THR   A C    
1085 O  O    . THR   A 90  ? 0.33766 0.29665 0.34724 -0.03266 -0.01885 -0.00884 90  THR   A O    
1086 C  CB   . THR   A 90  ? 0.30615 0.33337 0.32335 -0.02432 0.03721  0.02763  90  THR   A CB   
1087 O  OG1  . THR   A 90  ? 0.32509 0.42410 0.28389 -0.01986 -0.00318 0.03135  90  THR   A OG1  
1088 C  CG2  . THR   A 90  ? 0.42049 0.33835 0.38445 -0.02790 0.03404  0.00390  90  THR   A CG2  
1096 N  N    . THR   A 91  ? 0.36337 0.28163 0.38843 -0.02711 0.03848  -0.00325 91  THR   A N    
1097 C  CA   . THR   A 91  ? 0.32930 0.27487 0.39591 -0.00039 -0.05027 -0.02930 91  THR   A CA   
1098 C  C    . THR   A 91  ? 0.35078 0.28931 0.41446 0.02718  -0.02555 -0.05397 91  THR   A C    
1099 O  O    . THR   A 91  ? 0.32907 0.34617 0.43537 0.01416  0.01800  -0.07229 91  THR   A O    
1100 C  CB   . THR   A 91  ? 0.36540 0.29662 0.38455 0.08252  -0.05063 0.01424  91  THR   A CB   
1101 O  OG1  . THR   A 91  ? 0.44763 0.28087 0.40697 -0.03478 -0.01491 0.06642  91  THR   A OG1  
1102 C  CG2  . THR   A 91  ? 0.46753 0.29584 0.36184 0.06181  -0.00986 0.00406  91  THR   A CG2  
1110 N  N    . TRP   A 92  ? 0.37314 0.29428 0.39416 0.03961  -0.01839 -0.05499 92  TRP   A N    
1111 C  CA   . TRP   A 92  ? 0.32054 0.35596 0.35973 0.01122  0.00974  -0.02211 92  TRP   A CA   
1112 C  C    . TRP   A 92  ? 0.32275 0.36703 0.33411 0.09082  0.01377  -0.00582 92  TRP   A C    
1113 O  O    . TRP   A 92  ? 0.35428 0.39176 0.31963 0.03921  0.04433  0.02399  92  TRP   A O    
1114 C  CB   . TRP   A 92  ? 0.33641 0.26969 0.35300 -0.01019 0.01107  0.01940  92  TRP   A CB   
1115 C  CG   . TRP   A 92  ? 0.37859 0.31553 0.34245 -0.02367 0.03731  0.02682  92  TRP   A CG   
1116 C  CD1  . TRP   A 92  ? 0.41710 0.34926 0.32242 -0.04534 0.03628  -0.01482 92  TRP   A CD1  
1117 C  CD2  . TRP   A 92  ? 0.29958 0.32419 0.33913 0.00217  0.02302  -0.03567 92  TRP   A CD2  
1118 N  NE1  . TRP   A 92  ? 0.36294 0.34293 0.33122 0.04887  0.02388  0.04157  92  TRP   A NE1  
1119 C  CE2  . TRP   A 92  ? 0.33783 0.34623 0.32329 -0.04501 0.01094  0.00712  92  TRP   A CE2  
1120 C  CE3  . TRP   A 92  ? 0.41964 0.27618 0.33573 0.05263  0.01613  -0.03935 92  TRP   A CE3  
1121 C  CZ2  . TRP   A 92  ? 0.41735 0.36590 0.30784 -0.05886 0.04410  0.02838  92  TRP   A CZ2  
1122 C  CZ3  . TRP   A 92  ? 0.39134 0.34459 0.32139 -0.03148 -0.02483 -0.04906 92  TRP   A CZ3  
1123 C  CH2  . TRP   A 92  ? 0.40504 0.39151 0.30332 -0.08204 -0.03057 -0.00008 92  TRP   A CH2  
1134 N  N    . SER   A 93  ? 0.41197 0.32206 0.35211 0.00809  0.07087  -0.02083 93  SER   A N    
1135 C  CA   . SER   A 93  ? 0.39584 0.25894 0.37344 0.00455  0.05666  -0.00440 93  SER   A CA   
1136 C  C    . SER   A 93  ? 0.42258 0.24819 0.36924 0.08717  0.01832  -0.06813 93  SER   A C    
1137 O  O    . SER   A 93  ? 0.38370 0.42383 0.35823 0.05505  0.00973  -0.06251 93  SER   A O    
1138 C  CB   . SER   A 93  ? 0.41240 0.31357 0.40252 0.00099  0.00713  0.00576  93  SER   A CB   
1139 O  OG   . SER   A 93  ? 0.41832 0.41242 0.42975 0.00866  0.05929  -0.02698 93  SER   A OG   
1145 N  N    . GLY   A 94  ? 0.37590 0.30448 0.37516 0.08794  -0.00834 -0.04314 94  GLY   A N    
1146 C  CA   . GLY   A 94  ? 0.35875 0.26606 0.36680 0.04788  -0.02096 -0.10270 94  GLY   A CA   
1147 C  C    . GLY   A 94  ? 0.30662 0.29096 0.40091 0.07585  0.01841  -0.00736 94  GLY   A C    
1148 O  O    . GLY   A 94  ? 0.43368 0.35247 0.41096 0.02917  0.07045  0.05409  94  GLY   A O    
1152 N  N    . GLN   A 95  ? 0.32302 0.30501 0.42189 0.02566  0.02175  -0.02292 95  GLN   A N    
1153 C  CA   . GLN   A 95  ? 0.38947 0.20871 0.41358 0.01654  0.03007  -0.03586 95  GLN   A CA   
1154 C  C    . GLN   A 95  ? 0.42350 0.29849 0.42293 0.05527  0.02432  -0.04916 95  GLN   A C    
1155 O  O    . GLN   A 95  ? 0.50537 0.31099 0.39842 0.01535  0.06699  -0.03635 95  GLN   A O    
1156 C  CB   . GLN   A 95  ? 0.45733 0.40222 0.44316 -0.01678 -0.00221 -0.05005 95  GLN   A CB   
1157 C  CG   . GLN   A 95  ? 0.36221 0.37249 0.44607 -0.00392 0.05167  -0.02111 95  GLN   A CG   
1158 C  CD   . GLN   A 95  ? 0.55918 0.45240 0.44108 -0.06860 0.07452  -0.01663 95  GLN   A CD   
1159 O  OE1  . GLN   A 95  ? 0.51883 0.41681 0.41647 -0.04562 0.05163  -0.03220 95  GLN   A OE1  
1160 N  NE2  . GLN   A 95  ? 0.69029 0.51106 0.46943 -0.02588 0.08058  -0.03692 95  GLN   A NE2  
1169 N  N    . TYR   A 96  ? 0.42904 0.35546 0.41446 0.09014  -0.01066 -0.06930 96  TYR   A N    
1170 C  CA   . TYR   A 96  ? 0.38256 0.36363 0.41796 0.06353  0.02285  -0.04094 96  TYR   A CA   
1171 C  C    . TYR   A 96  ? 0.43711 0.37041 0.43405 0.04957  0.02884  -0.01387 96  TYR   A C    
1172 O  O    . TYR   A 96  ? 0.45410 0.35995 0.41723 0.08256  0.00369  -0.00052 96  TYR   A O    
1173 C  CB   . TYR   A 96  ? 0.38137 0.29233 0.42061 0.04263  0.03214  -0.11830 96  TYR   A CB   
1174 C  CG   . TYR   A 96  ? 0.42977 0.29247 0.41689 0.03122  0.03340  -0.06392 96  TYR   A CG   
1175 C  CD1  . TYR   A 96  ? 0.56484 0.35485 0.41462 -0.09451 0.04832  -0.02537 96  TYR   A CD1  
1176 C  CD2  . TYR   A 96  ? 0.60591 0.41493 0.44260 0.00361  -0.02327 -0.07101 96  TYR   A CD2  
1177 C  CE1  . TYR   A 96  ? 0.63186 0.40154 0.40970 -0.02003 0.08054  -0.01858 96  TYR   A CE1  
1178 C  CE2  . TYR   A 96  ? 0.63666 0.46735 0.44704 0.04217  0.03210  -0.07110 96  TYR   A CE2  
1179 C  CZ   . TYR   A 96  ? 0.62140 0.32144 0.41775 0.14589  0.04583  -0.03041 96  TYR   A CZ   
1180 O  OH   . TYR   A 96  ? 0.81521 0.34593 0.42245 0.19877  0.04014  -0.02232 96  TYR   A OH   
1190 N  N    . VAL   A 97  ? 0.49528 0.39871 0.47761 0.05023  0.11329  0.00510  97  VAL   A N    
1191 C  CA   . VAL   A 97  ? 0.52697 0.32048 0.53264 0.06519  0.09476  0.00439  97  VAL   A CA   
1192 C  C    . VAL   A 97  ? 0.53663 0.43111 0.54950 0.06823  0.02592  -0.01748 97  VAL   A C    
1193 O  O    . VAL   A 97  ? 0.56967 0.47976 0.55267 0.16316  0.07288  -0.05229 97  VAL   A O    
1194 C  CB   . VAL   A 97  ? 0.54260 0.50006 0.57141 0.03277  0.18178  0.04439  97  VAL   A CB   
1195 C  CG1  . VAL   A 97  ? 0.60376 0.64875 0.57470 0.00952  0.15525  -0.01350 97  VAL   A CG1  
1196 C  CG2  . VAL   A 97  ? 0.61817 0.50119 0.60316 -0.00054 0.14413  0.07173  97  VAL   A CG2  
1206 N  N    . GLY   A 98  ? 0.65889 0.45239 0.59052 0.07126  0.02887  -0.03189 98  GLY   A N    
1207 C  CA   . GLY   A 98  ? 0.66926 0.44508 0.63095 0.18277  0.03560  -0.01921 98  GLY   A CA   
1208 C  C    . GLY   A 98  ? 0.75075 0.56423 0.66153 0.20494  0.07460  -0.02129 98  GLY   A C    
1209 O  O    . GLY   A 98  ? 0.70486 0.64651 0.66462 0.14820  0.13714  0.00161  98  GLY   A O    
1213 N  N    . GLY   A 99  ? 0.86471 0.57922 0.69085 0.36948  0.06402  -0.08093 99  GLY   A N    
1214 C  CA   . GLY   A 99  ? 0.84148 0.59662 0.71978 0.38136  0.04004  -0.06593 99  GLY   A CA   
1215 C  C    . GLY   A 99  ? 0.95571 0.63600 0.75023 0.32914  0.03036  -0.12612 99  GLY   A C    
1216 O  O    . GLY   A 99  ? 0.99149 0.55072 0.76129 0.26666  0.01628  -0.14969 99  GLY   A O    
1220 N  N    . ALA   A 100 ? 0.95724 0.75423 0.76921 0.37640  0.01101  -0.14843 100 ALA   A N    
1221 C  CA   . ALA   A 100 ? 0.96870 1.00997 0.77294 0.27665  0.01266  -0.17361 100 ALA   A CA   
1222 C  C    . ALA   A 100 ? 1.01962 1.16338 0.76717 0.26286  0.01723  -0.16364 100 ALA   A C    
1223 O  O    . ALA   A 100 ? 1.10842 1.23752 0.76399 0.29256  0.00474  -0.17824 100 ALA   A O    
1224 C  CB   . ALA   A 100 ? 0.87861 1.01205 0.78387 0.31222  0.03633  -0.18990 100 ALA   A CB   
1230 N  N    . GLU   A 101 ? 0.93651 1.15914 0.76130 0.21880  0.03317  -0.10272 101 GLU   A N    
1231 C  CA   . GLU   A 101 ? 0.92818 1.05830 0.74110 0.18720  0.04951  -0.06175 101 GLU   A CA   
1232 C  C    . GLU   A 101 ? 0.77665 0.72176 0.71817 0.27709  0.10014  -0.02463 101 GLU   A C    
1233 O  O    . GLU   A 101 ? 0.71185 0.68983 0.71919 0.40232  0.12702  0.00498  101 GLU   A O    
1234 C  CB   . GLU   A 101 ? 1.16717 1.31052 0.74463 0.10880  0.03161  -0.03338 101 GLU   A CB   
1235 C  CG   . GLU   A 101 ? 1.37699 1.51598 0.74727 0.03306  0.00515  -0.03035 101 GLU   A CG   
1236 C  CD   . GLU   A 101 ? 1.49458 1.63262 0.75131 -0.01012 -0.00862 -0.01908 101 GLU   A CD   
1237 O  OE1  . GLU   A 101 ? 1.56286 1.66272 0.73525 -0.07212 -0.00438 -0.04480 101 GLU   A OE1  
1238 O  OE2  . GLU   A 101 ? 1.48883 1.64840 0.76710 0.03625  -0.00455 0.00447  101 GLU   A OE2  
1245 N  N    . ALA   A 102 ? 0.61854 0.47363 0.68301 0.27302  0.10897  -0.02978 102 ALA   A N    
1246 C  CA   . ALA   A 102 ? 0.36647 0.45089 0.63776 0.15167  0.09047  -0.03766 102 ALA   A CA   
1247 C  C    . ALA   A 102 ? 0.51825 0.42906 0.60830 0.12492  0.02755  -0.04242 102 ALA   A C    
1248 O  O    . ALA   A 102 ? 0.52958 0.43930 0.59717 0.13769  -0.03356 -0.05207 102 ALA   A O    
1249 C  CB   . ALA   A 102 ? 0.38898 0.44715 0.62776 -0.02311 0.04635  0.02134  102 ALA   A CB   
1255 N  N    . ARG   A 103 ? 0.44470 0.45014 0.58371 0.18862  0.08416  -0.03651 103 ARG   A N    
1256 C  CA   . ARG   A 103 ? 0.43167 0.36836 0.57232 0.18000  0.06433  -0.01757 103 ARG   A CA   
1257 C  C    . ARG   A 103 ? 0.44518 0.36488 0.51143 0.05268  0.06220  -0.10557 103 ARG   A C    
1258 O  O    . ARG   A 103 ? 0.47170 0.36446 0.49949 0.00314  0.08465  -0.09750 103 ARG   A O    
1259 C  CB   . ARG   A 103 ? 0.52291 0.45664 0.63090 0.12768  0.02564  -0.01452 103 ARG   A CB   
1260 C  CG   . ARG   A 103 ? 0.66598 0.84846 0.70165 0.03939  0.04372  -0.03054 103 ARG   A CG   
1261 C  CD   . ARG   A 103 ? 0.83968 1.15462 0.76108 0.00552  0.10758  -0.01208 103 ARG   A CD   
1262 N  NE   . ARG   A 103 ? 0.93284 1.41533 0.82079 -0.01460 0.11666  0.04992  103 ARG   A NE   
1263 C  CZ   . ARG   A 103 ? 1.07119 1.60672 0.87821 0.01459  0.14710  0.08864  103 ARG   A CZ   
1264 N  NH1  . ARG   A 103 ? 1.13467 1.64247 0.89844 0.06671  0.15571  0.08398  103 ARG   A NH1  
1265 N  NH2  . ARG   A 103 ? 1.08172 1.66800 0.90101 0.00700  0.17715  0.11062  103 ARG   A NH2  
1279 N  N    . ILE   A 104 ? 0.38936 0.28903 0.49300 0.06069  -0.02025 -0.04163 104 ILE   A N    
1280 C  CA   . ILE   A 104 ? 0.34781 0.33065 0.46493 0.03804  -0.00812 -0.00005 104 ILE   A CA   
1281 C  C    . ILE   A 104 ? 0.41336 0.32253 0.45514 0.01153  -0.02507 -0.00288 104 ILE   A C    
1282 O  O    . ILE   A 104 ? 0.35158 0.37880 0.42847 0.06804  0.00837  -0.01226 104 ILE   A O    
1283 C  CB   . ILE   A 104 ? 0.38933 0.37104 0.45226 0.15878  0.03050  -0.01535 104 ILE   A CB   
1284 C  CG1  . ILE   A 104 ? 0.45060 0.33571 0.43828 0.13081  0.10021  0.00523  104 ILE   A CG1  
1285 C  CG2  . ILE   A 104 ? 0.45177 0.33161 0.46892 0.06081  0.05300  -0.04405 104 ILE   A CG2  
1286 C  CD1  . ILE   A 104 ? 0.37431 0.46485 0.49008 0.12816  0.15905  0.10026  104 ILE   A CD1  
1298 N  N    . ASN   A 105 ? 0.38595 0.28397 0.46632 0.04119  -0.03260 -0.04329 105 ASN   A N    
1299 C  CA   . ASN   A 105 ? 0.31566 0.27888 0.47446 -0.01214 0.04506  -0.03965 105 ASN   A CA   
1300 C  C    . ASN   A 105 ? 0.33677 0.28043 0.44092 0.10472  0.04522  -0.06359 105 ASN   A C    
1301 O  O    . ASN   A 105 ? 0.48130 0.39472 0.40844 0.03295  0.05671  -0.04008 105 ASN   A O    
1302 C  CB   . ASN   A 105 ? 0.39605 0.33222 0.50358 0.05619  0.10180  0.00701  105 ASN   A CB   
1303 C  CG   . ASN   A 105 ? 0.47355 0.42051 0.53173 0.10859  0.10169  0.04556  105 ASN   A CG   
1304 O  OD1  . ASN   A 105 ? 0.50347 0.61937 0.56653 0.15061  0.08415  0.04958  105 ASN   A OD1  
1305 N  ND2  . ASN   A 105 ? 0.52857 0.48069 0.52439 0.04305  0.18753  0.00924  105 ASN   A ND2  
1312 N  N    . THR   A 106 ? 0.35538 0.28220 0.43409 0.02360  0.07561  -0.10072 106 THR   A N    
1313 C  CA   . THR   A 106 ? 0.32158 0.32052 0.45873 -0.06185 0.06462  -0.05377 106 THR   A CA   
1314 C  C    . THR   A 106 ? 0.22818 0.29269 0.46601 -0.03105 0.05002  -0.05160 106 THR   A C    
1315 O  O    . THR   A 106 ? 0.27769 0.36306 0.45625 0.04374  -0.00477 -0.04675 106 THR   A O    
1316 C  CB   . THR   A 106 ? 0.36254 0.39637 0.43506 -0.06438 0.05311  -0.07662 106 THR   A CB   
1317 O  OG1  . THR   A 106 ? 0.44208 0.35755 0.42383 0.02560  0.04095  -0.08914 106 THR   A OG1  
1318 C  CG2  . THR   A 106 ? 0.45143 0.23916 0.44979 -0.01393 0.09751  0.00061  106 THR   A CG2  
1326 N  N    . GLN   A 107 ? 0.30227 0.36021 0.45301 0.01110  0.03810  -0.01689 107 GLN   A N    
1327 C  CA   . GLN   A 107 ? 0.43309 0.28356 0.44259 0.07718  0.03541  0.00138  107 GLN   A CA   
1328 C  C    . GLN   A 107 ? 0.32659 0.35585 0.41852 -0.02392 0.01747  0.04583  107 GLN   A C    
1329 O  O    . GLN   A 107 ? 0.32803 0.37019 0.41469 -0.01759 0.05796  -0.06637 107 GLN   A O    
1330 C  CB   . GLN   A 107 ? 0.56157 0.27193 0.49930 0.08377  0.07573  -0.05660 107 GLN   A CB   
1331 C  CG   . GLN   A 107 ? 0.60636 0.45317 0.52748 -0.04210 0.07640  -0.06469 107 GLN   A CG   
1332 C  CD   . GLN   A 107 ? 0.57774 0.32704 0.55167 -0.05232 0.02535  -0.09071 107 GLN   A CD   
1333 O  OE1  . GLN   A 107 ? 0.39841 0.48170 0.56872 0.05945  -0.03612 -0.10327 107 GLN   A OE1  
1334 N  NE2  . GLN   A 107 ? 0.58076 0.55013 0.58914 -0.07798 0.01007  -0.12298 107 GLN   A NE2  
1343 N  N    . TRP   A 108 ? 0.30629 0.29230 0.40464 -0.04671 0.03000  -0.00990 108 TRP   A N    
1344 C  CA   . TRP   A 108 ? 0.26836 0.36225 0.38102 -0.07862 0.04933  0.01302  108 TRP   A CA   
1345 C  C    . TRP   A 108 ? 0.34720 0.38390 0.35434 -0.04883 0.01043  0.02153  108 TRP   A C    
1346 O  O    . TRP   A 108 ? 0.32684 0.37597 0.34719 0.10081  0.02441  -0.00808 108 TRP   A O    
1347 C  CB   . TRP   A 108 ? 0.29170 0.35351 0.38578 0.00558  0.00357  -0.06198 108 TRP   A CB   
1348 C  CG   . TRP   A 108 ? 0.31982 0.32547 0.37853 -0.03444 0.05141  -0.07263 108 TRP   A CG   
1349 C  CD1  . TRP   A 108 ? 0.40647 0.32612 0.38118 -0.01947 0.00339  -0.04710 108 TRP   A CD1  
1350 C  CD2  . TRP   A 108 ? 0.37418 0.32798 0.39794 -0.00371 -0.01284 0.00445  108 TRP   A CD2  
1351 N  NE1  . TRP   A 108 ? 0.34031 0.40166 0.39962 0.05707  0.03439  -0.03926 108 TRP   A NE1  
1352 C  CE2  . TRP   A 108 ? 0.33744 0.39845 0.40495 0.03752  -0.00100 -0.03748 108 TRP   A CE2  
1353 C  CE3  . TRP   A 108 ? 0.35040 0.27844 0.38959 -0.05744 -0.03090 -0.06066 108 TRP   A CE3  
1354 C  CZ2  . TRP   A 108 ? 0.30089 0.42278 0.42325 0.09988  0.00546  -0.06046 108 TRP   A CZ2  
1355 C  CZ3  . TRP   A 108 ? 0.32424 0.35292 0.39170 -0.05780 -0.03967 -0.02565 108 TRP   A CZ3  
1356 C  CH2  . TRP   A 108 ? 0.35177 0.33556 0.41517 -0.05890 0.03054  -0.02801 108 TRP   A CH2  
1367 N  N    . LEU   A 109 ? 0.30665 0.30638 0.36050 -0.06019 0.00897  0.01557  109 LEU   A N    
1368 C  CA   . LEU   A 109 ? 0.30476 0.22528 0.37282 0.06970  -0.00830 -0.00805 109 LEU   A CA   
1369 C  C    . LEU   A 109 ? 0.33987 0.24862 0.37519 -0.03974 -0.02746 -0.01726 109 LEU   A C    
1370 O  O    . LEU   A 109 ? 0.38136 0.33961 0.37023 -0.09969 0.04026  -0.04241 109 LEU   A O    
1371 C  CB   . LEU   A 109 ? 0.25839 0.31629 0.37355 0.07415  0.01261  0.00555  109 LEU   A CB   
1372 C  CG   . LEU   A 109 ? 0.39845 0.31557 0.36430 0.01592  0.04323  0.01931  109 LEU   A CG   
1373 C  CD1  . LEU   A 109 ? 0.44503 0.35669 0.36815 0.06899  -0.02301 -0.00710 109 LEU   A CD1  
1374 C  CD2  . LEU   A 109 ? 0.41126 0.27861 0.39605 0.06234  -0.02063 0.05097  109 LEU   A CD2  
1386 N  N    . LEU   A 110 ? 0.28988 0.38700 0.37658 -0.06626 0.02898  -0.04777 110 LEU   A N    
1387 C  CA   . LEU   A 110 ? 0.27893 0.26246 0.38701 -0.01303 0.06577  0.01351  110 LEU   A CA   
1388 C  C    . LEU   A 110 ? 0.31276 0.33014 0.38729 0.00283  0.04146  0.01334  110 LEU   A C    
1389 O  O    . LEU   A 110 ? 0.40584 0.31693 0.40064 0.00118  0.03246  -0.00673 110 LEU   A O    
1390 C  CB   . LEU   A 110 ? 0.29477 0.35314 0.37518 0.00802  0.02747  0.02629  110 LEU   A CB   
1391 C  CG   . LEU   A 110 ? 0.38330 0.35695 0.38477 0.11901  -0.01307 0.04542  110 LEU   A CG   
1392 C  CD1  . LEU   A 110 ? 0.36529 0.47134 0.41569 0.07894  -0.03570 0.05713  110 LEU   A CD1  
1393 C  CD2  . LEU   A 110 ? 0.55004 0.53968 0.40343 0.12289  -0.01952 0.03795  110 LEU   A CD2  
1405 N  N    . THR   A 111 ? 0.28533 0.34675 0.38134 -0.04478 0.02075  -0.04658 111 THR   A N    
1406 C  CA   . THR   A 111 ? 0.25799 0.35145 0.38030 -0.01144 0.06771  -0.02459 111 THR   A CA   
1407 C  C    . THR   A 111 ? 0.32131 0.27214 0.38914 -0.09906 0.03060  -0.00204 111 THR   A C    
1408 O  O    . THR   A 111 ? 0.32504 0.41533 0.40007 -0.11692 0.02564  -0.01592 111 THR   A O    
1409 C  CB   . THR   A 111 ? 0.23931 0.45915 0.38151 0.02119  0.06258  -0.02853 111 THR   A CB   
1410 O  OG1  . THR   A 111 ? 0.42597 0.47181 0.39927 -0.07114 0.08734  0.08623  111 THR   A OG1  
1411 C  CG2  . THR   A 111 ? 0.36169 0.53611 0.37667 0.07511  -0.03294 -0.09213 111 THR   A CG2  
1419 N  N    . VAL   A 112 ? 0.40216 0.28976 0.38043 -0.04034 0.00077  -0.05137 112 VAL   A N    
1420 C  CA   . VAL   A 112 ? 0.34422 0.40499 0.37593 0.01865  -0.00275 0.05160  112 VAL   A CA   
1421 C  C    . VAL   A 112 ? 0.36258 0.43948 0.37876 0.03490  0.02482  -0.01047 112 VAL   A C    
1422 O  O    . VAL   A 112 ? 0.40686 0.46005 0.41802 0.01603  0.06610  -0.01372 112 VAL   A O    
1423 C  CB   . VAL   A 112 ? 0.42807 0.60400 0.38176 0.01566  0.02083  0.01021  112 VAL   A CB   
1424 C  CG1  . VAL   A 112 ? 0.55808 0.57973 0.37859 0.08209  0.00391  0.00615  112 VAL   A CG1  
1425 C  CG2  . VAL   A 112 ? 0.58726 0.61892 0.39478 -0.16623 0.01667  0.01395  112 VAL   A CG2  
1435 N  N    . GLY   A 113 ? 0.45327 0.39135 0.34267 0.04149  0.08669  -0.08466 113 GLY   A N    
1436 C  CA   . GLY   A 113 ? 0.39579 0.51571 0.38299 0.01744  0.07283  -0.10651 113 GLY   A CA   
1437 C  C    . GLY   A 113 ? 0.44169 0.41747 0.40044 0.06027  -0.00471 -0.05236 113 GLY   A C    
1438 O  O    . GLY   A 113 ? 0.37624 0.49195 0.41236 -0.00526 -0.01667 -0.04307 113 GLY   A O    
1442 N  N    . THR   A 114 ? 0.44898 0.51762 0.43400 0.07556  0.00781  -0.09687 114 THR   A N    
1443 C  CA   . THR   A 114 ? 0.37601 0.47361 0.47507 -0.02225 0.00360  -0.06244 114 THR   A CA   
1444 C  C    . THR   A 114 ? 0.46185 0.47166 0.48849 -0.02397 0.01784  -0.14450 114 THR   A C    
1445 O  O    . THR   A 114 ? 0.48271 0.49292 0.47748 -0.00432 0.03458  -0.10930 114 THR   A O    
1446 C  CB   . THR   A 114 ? 0.40844 0.52318 0.49618 0.00903  0.01231  -0.06894 114 THR   A CB   
1447 O  OG1  . THR   A 114 ? 0.40295 0.54734 0.50324 -0.01868 0.04272  -0.09408 114 THR   A OG1  
1448 C  CG2  . THR   A 114 ? 0.45758 0.48070 0.51087 0.14573  0.02908  -0.07062 114 THR   A CG2  
1456 N  N    . THR   A 115 ? 0.43819 0.47601 0.52643 0.02640  0.01713  -0.15229 115 THR   A N    
1457 C  CA   . THR   A 115 ? 0.45615 0.48732 0.57937 0.04805  0.06141  -0.17843 115 THR   A CA   
1458 C  C    . THR   A 115 ? 0.43235 0.56170 0.64511 0.07432  0.03088  -0.16956 115 THR   A C    
1459 O  O    . THR   A 115 ? 0.51253 0.49932 0.65423 0.05601  0.08796  -0.13555 115 THR   A O    
1460 C  CB   . THR   A 115 ? 0.54234 0.58910 0.58224 0.04427  0.07020  -0.24787 115 THR   A CB   
1461 O  OG1  . THR   A 115 ? 0.49939 0.67309 0.59256 0.00353  0.00858  -0.27929 115 THR   A OG1  
1462 C  CG2  . THR   A 115 ? 0.52658 0.65296 0.57689 0.09301  0.13964  -0.20876 115 THR   A CG2  
1470 N  N    . GLU   A 116 ? 0.48365 0.56724 0.68062 0.23044  -0.00431 -0.14941 116 GLU   A N    
1471 C  CA   . GLU   A 116 ? 0.63515 0.69105 0.72568 0.08851  -0.06390 -0.07046 116 GLU   A CA   
1472 C  C    . GLU   A 116 ? 0.58309 0.57946 0.72650 0.10533  -0.02718 -0.08745 116 GLU   A C    
1473 O  O    . GLU   A 116 ? 0.58167 0.55818 0.74211 0.11978  0.03144  -0.10872 116 GLU   A O    
1474 C  CB   . GLU   A 116 ? 0.86627 0.89315 0.76605 0.06235  -0.09590 -0.00541 116 GLU   A CB   
1475 C  CG   . GLU   A 116 ? 1.05407 1.08589 0.81389 0.02720  -0.13306 0.08916  116 GLU   A CG   
1476 C  CD   . GLU   A 116 ? 1.22284 1.26769 0.86344 -0.05195 -0.15556 0.15357  116 GLU   A CD   
1477 O  OE1  . GLU   A 116 ? 1.25450 1.35756 0.89326 -0.14237 -0.15150 0.14693  116 GLU   A OE1  
1478 O  OE2  . GLU   A 116 ? 1.28600 1.27571 0.86310 -0.04465 -0.16506 0.22002  116 GLU   A OE2  
1485 N  N    . ALA   A 117 ? 0.56678 0.49934 0.70832 0.11015  0.01342  -0.11068 117 ALA   A N    
1486 C  CA   . ALA   A 117 ? 0.63467 0.48871 0.69577 0.12428  0.02401  -0.17611 117 ALA   A CA   
1487 C  C    . ALA   A 117 ? 0.59534 0.48271 0.67776 0.02218  0.03406  -0.17635 117 ALA   A C    
1488 O  O    . ALA   A 117 ? 0.59858 0.48439 0.69205 -0.01469 0.00111  -0.17566 117 ALA   A O    
1489 C  CB   . ALA   A 117 ? 0.68671 0.56445 0.70458 0.05330  -0.04105 -0.15627 117 ALA   A CB   
1495 N  N    . ASN   A 118 ? 0.59062 0.48450 0.63872 0.06088  0.09007  -0.19759 118 ASN   A N    
1496 C  CA   . ASN   A 118 ? 0.49182 0.41180 0.61190 -0.01562 0.05392  -0.19966 118 ASN   A CA   
1497 C  C    . ASN   A 118 ? 0.46084 0.38849 0.59211 -0.05062 0.03881  -0.16468 118 ASN   A C    
1498 O  O    . ASN   A 118 ? 0.44582 0.45902 0.60809 -0.07549 0.05665  -0.10239 118 ASN   A O    
1499 C  CB   . ASN   A 118 ? 0.49655 0.43567 0.57963 0.10395  0.02144  -0.17809 118 ASN   A CB   
1500 C  CG   . ASN   A 118 ? 0.54694 0.69763 0.57971 0.06004  0.01525  -0.18216 118 ASN   A CG   
1501 O  OD1  . ASN   A 118 ? 0.54098 0.79284 0.58541 -0.00492 0.01172  -0.18435 118 ASN   A OD1  
1502 N  ND2  . ASN   A 118 ? 0.57957 0.81848 0.57541 0.00297  0.04077  -0.15873 118 ASN   A ND2  
1509 N  N    . ALA   A 119 ? 0.44691 0.34977 0.59257 0.00703  0.05924  -0.14840 119 ALA   A N    
1510 C  CA   . ALA   A 119 ? 0.37230 0.40547 0.59020 0.04062  0.03320  -0.14980 119 ALA   A CA   
1511 C  C    . ALA   A 119 ? 0.43004 0.30868 0.58065 -0.04159 0.07994  -0.16469 119 ALA   A C    
1512 O  O    . ALA   A 119 ? 0.48759 0.35778 0.58135 -0.03191 0.06495  -0.15852 119 ALA   A O    
1513 C  CB   . ALA   A 119 ? 0.39405 0.57819 0.61385 0.01355  0.06801  -0.12506 119 ALA   A CB   
1519 N  N    . TRP   A 120 ? 0.48546 0.43211 0.58810 -0.01602 0.08665  -0.15108 120 TRP   A N    
1520 C  CA   . TRP   A 120 ? 0.40534 0.38943 0.60167 -0.02104 0.08210  -0.15415 120 TRP   A CA   
1521 C  C    . TRP   A 120 ? 0.38898 0.36329 0.61396 0.06849  0.05461  -0.10288 120 TRP   A C    
1522 O  O    . TRP   A 120 ? 0.50922 0.30914 0.62000 0.01755  0.09427  -0.14197 120 TRP   A O    
1523 C  CB   . TRP   A 120 ? 0.51717 0.42421 0.62474 -0.17050 0.05169  -0.19496 120 TRP   A CB   
1524 C  CG   . TRP   A 120 ? 0.56075 0.40255 0.67211 -0.12675 0.09273  -0.22495 120 TRP   A CG   
1525 C  CD1  . TRP   A 120 ? 0.59954 0.45486 0.68866 -0.13942 0.07383  -0.26817 120 TRP   A CD1  
1526 C  CD2  . TRP   A 120 ? 0.52653 0.33165 0.70291 -0.11692 0.08728  -0.18709 120 TRP   A CD2  
1527 N  NE1  . TRP   A 120 ? 0.42326 0.44263 0.68572 -0.07077 0.03177  -0.24820 120 TRP   A NE1  
1528 C  CE2  . TRP   A 120 ? 0.52568 0.43624 0.69308 -0.03357 0.02771  -0.23714 120 TRP   A CE2  
1529 C  CE3  . TRP   A 120 ? 0.49781 0.45668 0.71283 -0.07043 0.13184  -0.08507 120 TRP   A CE3  
1530 C  CZ2  . TRP   A 120 ? 0.50300 0.46842 0.70476 -0.06526 -0.00287 -0.23942 120 TRP   A CZ2  
1531 C  CZ3  . TRP   A 120 ? 0.45528 0.42874 0.71336 -0.14882 0.05929  -0.11966 120 TRP   A CZ3  
1532 C  CH2  . TRP   A 120 ? 0.47564 0.50239 0.70176 -0.15929 0.02236  -0.18534 120 TRP   A CH2  
1543 N  N    . LYS   A 121 ? 0.44484 0.39025 0.59005 0.00106  0.03351  -0.14570 121 LYS   A N    
1544 C  CA   . LYS   A 121 ? 0.45004 0.31391 0.55556 -0.08982 0.02213  -0.09133 121 LYS   A CA   
1545 C  C    . LYS   A 121 ? 0.46726 0.34542 0.51386 -0.04481 0.03594  -0.03588 121 LYS   A C    
1546 O  O    . LYS   A 121 ? 0.47071 0.49744 0.51512 0.00130  -0.00348 -0.07776 121 LYS   A O    
1547 C  CB   . LYS   A 121 ? 0.44575 0.41122 0.55483 -0.05660 0.07923  -0.08868 121 LYS   A CB   
1548 C  CG   . LYS   A 121 ? 0.51083 0.52453 0.54856 0.03182  0.14668  -0.06365 121 LYS   A CG   
1549 C  CD   . LYS   A 121 ? 0.56176 0.71185 0.57163 0.06092  0.13697  -0.07917 121 LYS   A CD   
1550 C  CE   . LYS   A 121 ? 0.60746 0.90117 0.59136 0.13620  0.09370  -0.07947 121 LYS   A CE   
1551 N  NZ   . LYS   A 121 ? 0.72216 1.01947 0.60649 0.02021  0.07317  -0.11197 121 LYS   A NZ   
1565 N  N    . SER   A 122 ? 0.47035 0.34592 0.49035 -0.09957 0.07021  -0.05778 122 SER   A N    
1566 C  CA   . SER   A 122 ? 0.41736 0.25006 0.46990 -0.01342 0.06805  -0.06587 122 SER   A CA   
1567 C  C    . SER   A 122 ? 0.46126 0.34819 0.42238 0.01364  0.03345  -0.07610 122 SER   A C    
1568 O  O    . SER   A 122 ? 0.41930 0.32318 0.39351 -0.02499 0.09371  -0.07978 122 SER   A O    
1569 C  CB   . SER   A 122 ? 0.46343 0.37564 0.49434 -0.09529 0.03417  0.01454  122 SER   A CB   
1570 O  OG   . SER   A 122 ? 0.39500 0.41046 0.51380 -0.02430 -0.01300 0.04915  122 SER   A OG   
1576 N  N    . THR   A 123 ? 0.38724 0.31952 0.41636 0.01607  0.02728  -0.12385 123 THR   A N    
1577 C  CA   . THR   A 123 ? 0.35492 0.26453 0.38393 -0.02458 -0.02637 -0.05767 123 THR   A CA   
1578 C  C    . THR   A 123 ? 0.40650 0.29847 0.38349 -0.06979 0.02947  0.00977  123 THR   A C    
1579 O  O    . THR   A 123 ? 0.31310 0.36738 0.42513 -0.05207 0.01760  0.01128  123 THR   A O    
1580 C  CB   . THR   A 123 ? 0.25717 0.49443 0.39224 0.02853  0.03144  -0.04045 123 THR   A CB   
1581 O  OG1  . THR   A 123 ? 0.35218 0.49019 0.43053 0.08715  -0.02662 -0.07340 123 THR   A OG1  
1582 C  CG2  . THR   A 123 ? 0.30428 0.44763 0.37994 0.12069  0.08564  -0.01826 123 THR   A CG2  
1590 N  N    . LEU   A 124 ? 0.43133 0.27537 0.36476 -0.04118 0.04873  -0.02631 124 LEU   A N    
1591 C  CA   . LEU   A 124 ? 0.32389 0.31886 0.34888 -0.02829 0.03159  -0.00313 124 LEU   A CA   
1592 C  C    . LEU   A 124 ? 0.30482 0.35818 0.37171 0.00852  0.04167  -0.02515 124 LEU   A C    
1593 O  O    . LEU   A 124 ? 0.31706 0.35772 0.38446 -0.04795 0.01363  -0.04471 124 LEU   A O    
1594 C  CB   . LEU   A 124 ? 0.32571 0.26796 0.34990 -0.03756 0.03594  -0.00471 124 LEU   A CB   
1595 C  CG   . LEU   A 124 ? 0.41304 0.33489 0.34420 0.02961  0.03273  -0.00905 124 LEU   A CG   
1596 C  CD1  . LEU   A 124 ? 0.54438 0.39691 0.34700 0.01959  -0.07127 0.02418  124 LEU   A CD1  
1597 C  CD2  . LEU   A 124 ? 0.43113 0.45540 0.34181 -0.01714 0.01137  0.04636  124 LEU   A CD2  
1609 N  N    . VAL   A 125 ? 0.38593 0.29751 0.38401 0.03550  0.03882  -0.02302 125 VAL   A N    
1610 C  CA   . VAL   A 125 ? 0.28826 0.26882 0.39178 -0.00751 0.09296  -0.05699 125 VAL   A CA   
1611 C  C    . VAL   A 125 ? 0.34247 0.25990 0.39303 0.02117  0.02587  -0.02354 125 VAL   A C    
1612 O  O    . VAL   A 125 ? 0.33075 0.36599 0.40318 0.01206  -0.00701 -0.00337 125 VAL   A O    
1613 C  CB   . VAL   A 125 ? 0.38284 0.26893 0.41804 0.07670  0.01172  -0.09129 125 VAL   A CB   
1614 C  CG1  . VAL   A 125 ? 0.38049 0.34958 0.45634 -0.06646 0.00974  -0.02162 125 VAL   A CG1  
1615 C  CG2  . VAL   A 125 ? 0.42636 0.28682 0.43279 0.10756  0.00553  -0.14061 125 VAL   A CG2  
1625 N  N    . GLY   A 126 ? 0.26177 0.25539 0.40977 0.01814  0.00178  -0.04626 126 GLY   A N    
1626 C  CA   . GLY   A 126 ? 0.25671 0.28953 0.43573 0.08910  0.05874  -0.00641 126 GLY   A CA   
1627 C  C    . GLY   A 126 ? 0.24898 0.36408 0.46753 0.07384  0.00431  0.00926  126 GLY   A C    
1628 O  O    . GLY   A 126 ? 0.29753 0.32270 0.45976 -0.00954 0.00730  -0.00742 126 GLY   A O    
1632 N  N    . HIS   A 127 ? 0.34800 0.37806 0.48817 0.04535  -0.01875 0.03652  127 HIS   A N    
1633 C  CA   . HIS   A 127 ? 0.30337 0.45037 0.51315 0.06679  0.03157  -0.02439 127 HIS   A CA   
1634 C  C    . HIS   A 127 ? 0.34085 0.36331 0.51045 -0.02188 -0.08531 0.00209  127 HIS   A C    
1635 O  O    . HIS   A 127 ? 0.50204 0.38776 0.51859 0.10095  -0.19133 -0.05284 127 HIS   A O    
1636 C  CB   . HIS   A 127 ? 0.40032 0.41997 0.58027 0.03279  0.00258  -0.08356 127 HIS   A CB   
1637 C  CG   . HIS   A 127 ? 0.44172 0.53097 0.63498 0.05697  0.00451  -0.03314 127 HIS   A CG   
1638 N  ND1  . HIS   A 127 ? 0.47279 0.58244 0.66020 0.14637  -0.07801 -0.03208 127 HIS   A ND1  
1639 C  CD2  . HIS   A 127 ? 0.45036 0.57602 0.65475 0.11339  -0.00699 -0.00754 127 HIS   A CD2  
1640 C  CE1  . HIS   A 127 ? 0.44147 0.69437 0.68027 0.14116  -0.10318 -0.02121 127 HIS   A CE1  
1641 N  NE2  . HIS   A 127 ? 0.51718 0.65138 0.67423 0.13135  -0.08634 -0.02074 127 HIS   A NE2  
1649 N  N    . ASP   A 128 ? 0.35543 0.29376 0.49314 -0.02700 -0.03096 -0.04192 128 ASP   A N    
1650 C  CA   . ASP   A 128 ? 0.43742 0.29461 0.47415 0.12156  -0.03647 -0.07201 128 ASP   A CA   
1651 C  C    . ASP   A 128 ? 0.34302 0.30383 0.45114 0.09346  -0.00709 -0.05301 128 ASP   A C    
1652 O  O    . ASP   A 128 ? 0.34849 0.36750 0.42490 0.06497  -0.02189 -0.00325 128 ASP   A O    
1653 C  CB   . ASP   A 128 ? 0.53172 0.41222 0.48245 -0.01311 -0.05351 -0.12578 128 ASP   A CB   
1654 C  CG   . ASP   A 128 ? 0.54173 0.58619 0.49420 0.03550  -0.08443 -0.16369 128 ASP   A CG   
1655 O  OD1  . ASP   A 128 ? 0.59168 0.79414 0.53779 0.00441  -0.03222 -0.14464 128 ASP   A OD1  
1656 O  OD2  . ASP   A 128 ? 0.42740 0.54804 0.48750 0.19092  -0.04020 -0.10956 128 ASP   A OD2  
1661 N  N    . THR   A 129 ? 0.41865 0.32192 0.47366 0.03258  -0.02378 -0.04793 129 THR   A N    
1662 C  CA   . THR   A 129 ? 0.31420 0.35373 0.48572 -0.06044 -0.00673 -0.06087 129 THR   A CA   
1663 C  C    . THR   A 129 ? 0.32537 0.30820 0.46208 -0.02931 -0.00373 -0.00136 129 THR   A C    
1664 O  O    . THR   A 129 ? 0.37463 0.38362 0.47195 0.00469  -0.03865 0.01058  129 THR   A O    
1665 C  CB   . THR   A 129 ? 0.40257 0.52881 0.51796 0.00731  0.11827  0.00468  129 THR   A CB   
1666 O  OG1  A THR   A 129 ? 0.59043 0.60064 0.56874 0.06111  0.07318  0.02559  129 THR   A OG1  
1667 O  OG1  B THR   A 129 ? 0.41488 0.51933 0.51030 0.01129  0.11309  0.00707  129 THR   A OG1  
1668 C  CG2  A THR   A 129 ? 0.50856 0.52718 0.52360 0.02693  0.11100  0.00162  129 THR   A CG2  
1669 C  CG2  B THR   A 129 ? 0.41488 0.51933 0.51030 0.01129  0.11309  0.00707  129 THR   A CG2  
1681 N  N    . PHE   A 130 ? 0.34477 0.34131 0.46488 -0.01193 0.05516  -0.02267 130 PHE   A N    
1682 C  CA   . PHE   A 130 ? 0.43105 0.33391 0.47277 -0.00498 0.05293  -0.03563 130 PHE   A CA   
1683 C  C    . PHE   A 130 ? 0.38161 0.31721 0.50381 0.02114  0.05619  -0.00465 130 PHE   A C    
1684 O  O    . PHE   A 130 ? 0.50188 0.32344 0.50106 0.04008  0.07182  0.06384  130 PHE   A O    
1685 C  CB   . PHE   A 130 ? 0.43683 0.37299 0.45351 -0.01092 0.05730  -0.03520 130 PHE   A CB   
1686 C  CG   . PHE   A 130 ? 0.44228 0.30968 0.41546 -0.03419 0.06829  -0.04764 130 PHE   A CG   
1687 C  CD1  . PHE   A 130 ? 0.43665 0.28916 0.43049 -0.05857 0.03089  -0.09932 130 PHE   A CD1  
1688 C  CD2  . PHE   A 130 ? 0.37841 0.28338 0.40658 0.03724  0.06769  -0.03049 130 PHE   A CD2  
1689 C  CE1  . PHE   A 130 ? 0.42510 0.29017 0.43519 -0.04821 0.04845  -0.03847 130 PHE   A CE1  
1690 C  CE2  . PHE   A 130 ? 0.40377 0.36797 0.41733 -0.04895 0.07320  -0.04598 130 PHE   A CE2  
1691 C  CZ   . PHE   A 130 ? 0.45530 0.31806 0.44023 0.00287  0.06469  -0.04573 130 PHE   A CZ   
1701 N  N    . THR   A 131 ? 0.38611 0.36837 0.53080 0.04659  0.04361  -0.01055 131 THR   A N    
1702 C  CA   . THR   A 131 ? 0.41352 0.40836 0.55177 -0.05972 0.08103  -0.00147 131 THR   A CA   
1703 C  C    . THR   A 131 ? 0.36334 0.31485 0.53215 -0.02907 0.10021  -0.01586 131 THR   A C    
1704 O  O    . THR   A 131 ? 0.40511 0.33734 0.53096 0.03640  0.08495  0.00576  131 THR   A O    
1705 C  CB   . THR   A 131 ? 0.45679 0.51236 0.60243 -0.05894 0.04958  0.10877  131 THR   A CB   
1706 O  OG1  . THR   A 131 ? 0.55011 0.56818 0.64964 0.04340  -0.01148 0.13596  131 THR   A OG1  
1707 C  CG2  . THR   A 131 ? 0.47392 0.61037 0.61484 0.01060  0.03676  0.07607  131 THR   A CG2  
1715 N  N    . LYS   A 132 ? 0.52296 0.33668 0.52396 0.13401  0.04598  -0.03344 132 LYS   A N    
1716 C  CA   . LYS   A 132 ? 0.61116 0.28162 0.55599 0.09457  -0.01471 -0.00213 132 LYS   A CA   
1717 C  C    . LYS   A 132 ? 0.71503 0.28882 0.57821 0.09118  -0.02620 -0.04217 132 LYS   A C    
1718 O  O    . LYS   A 132 ? 0.70692 0.31098 0.55748 0.01976  0.01429  -0.02381 132 LYS   A O    
1719 C  CB   . LYS   A 132 ? 0.69228 0.23987 0.57625 0.02388  -0.03658 0.05386  132 LYS   A CB   
1720 C  CG   . LYS   A 132 ? 0.84273 0.32216 0.64198 0.10918  -0.11019 0.12834  132 LYS   A CG   
1721 C  CD   . LYS   A 132 ? 1.01853 0.56948 0.69620 0.20585  -0.16852 0.18278  132 LYS   A CD   
1722 C  CE   . LYS   A 132 ? 1.25784 0.64676 0.73577 0.10862  -0.13641 0.17137  132 LYS   A CE   
1723 N  NZ   . LYS   A 132 ? 1.37660 0.58556 0.75058 0.20125  -0.10948 0.15449  132 LYS   A NZ   
1737 N  N    . VAL   A 133 ? 0.73966 0.38763 0.65328 0.06576  0.02465  -0.01906 133 VAL   A N    
1738 C  CA   . VAL   A 133 ? 0.72093 0.48231 0.70830 0.05574  0.02044  -0.05266 133 VAL   A CA   
1739 C  C    . VAL   A 133 ? 0.68215 0.54321 0.74000 0.15010  -0.01064 -0.09804 133 VAL   A C    
1740 O  O    . VAL   A 133 ? 0.68496 0.60637 0.75624 -0.05532 -0.03742 -0.12130 133 VAL   A O    
1741 C  CB   . VAL   A 133 ? 0.82165 0.52425 0.72183 -0.05834 0.05208  -0.06689 133 VAL   A CB   
1742 C  CG1  . VAL   A 133 ? 0.82970 0.68297 0.71024 0.01903  0.04094  -0.10005 133 VAL   A CG1  
1743 C  CG2  . VAL   A 133 ? 0.85230 0.64283 0.73851 -0.15931 0.06031  -0.02355 133 VAL   A CG2  
1753 N  N    . LYS   A 134 ? 0.77205 0.66023 0.73603 0.24265  0.03111  -0.10676 134 LYS   A N    
1754 C  CA   . LYS   A 134 ? 0.88948 0.81961 0.71437 0.22547  0.03722  -0.10037 134 LYS   A CA   
1755 C  C    . LYS   A 134 ? 0.93005 0.93139 0.73149 0.27912  -0.00666 -0.06045 134 LYS   A C    
1756 O  O    . LYS   A 134 ? 0.89057 0.91876 0.74647 0.30065  -0.05407 -0.01645 134 LYS   A O    
1757 C  CB   . LYS   A 134 ? 0.94984 0.84542 0.69338 0.14306  0.03765  -0.09649 134 LYS   A CB   
1758 C  CG   . LYS   A 134 ? 1.00561 0.88436 0.69507 0.13758  0.12858  -0.16009 134 LYS   A CG   
1759 C  CD   . LYS   A 134 ? 1.07970 0.92315 0.70400 0.09885  0.12959  -0.15004 134 LYS   A CD   
1760 C  CE   . LYS   A 134 ? 1.17351 0.91689 0.71283 0.00344  0.13395  -0.14355 134 LYS   A CE   
1761 N  NZ   . LYS   A 134 ? 1.21711 0.93839 0.72302 -0.02498 0.11494  -0.10651 134 LYS   A NZ   
1775 C  C02  . A1ICD B .   ? 1.01294 0.83249 0.59726 0.30394  0.08480  0.08990  201 A1ICD A C02  
1776 C  C04  . A1ICD B .   ? 0.89606 0.64588 0.56173 0.14526  0.05877  0.08160  201 A1ICD A C04  
1777 C  C05  . A1ICD B .   ? 0.86291 0.71226 0.55830 0.06036  0.09594  0.12139  201 A1ICD A C05  
1778 C  C06  . A1ICD B .   ? 0.77153 0.76911 0.55199 0.00845  0.05540  0.10411  201 A1ICD A C06  
1779 C  C09  . A1ICD B .   ? 0.86672 0.74591 0.57391 -0.00260 0.00597  0.06754  201 A1ICD A C09  
1780 C  C10  . A1ICD B .   ? 0.74963 0.72489 0.59523 -0.07548 0.01122  0.06962  201 A1ICD A C10  
1781 C  C11  . A1ICD B .   ? 0.65844 0.68893 0.62083 -0.08825 -0.02288 0.07826  201 A1ICD A C11  
1782 C  C12  . A1ICD B .   ? 0.49747 0.84353 0.63940 -0.22042 0.00995  0.11925  201 A1ICD A C12  
1783 C  C13  . A1ICD B .   ? 0.50287 1.00067 0.65761 -0.17743 -0.07565 0.16803  201 A1ICD A C13  
1784 C  C14  . A1ICD B .   ? 0.55234 1.19576 0.67204 -0.20879 -0.05771 0.24899  201 A1ICD A C14  
1785 C  C16  . A1ICD B .   ? 0.83531 1.03487 0.68959 0.11492  0.00929  0.19136  201 A1ICD A C16  
1786 C  C17  . A1ICD B .   ? 0.92666 1.01387 0.73071 0.05967  0.09673  0.13696  201 A1ICD A C17  
1787 C  C18  . A1ICD B .   ? 0.92280 0.98257 0.76563 -0.12949 0.09725  0.11842  201 A1ICD A C18  
1788 C  C19  . A1ICD B .   ? 0.99486 0.98567 0.78057 -0.12912 0.11777  0.11649  201 A1ICD A C19  
1789 C  C26  . A1ICD B .   ? 1.15265 1.04163 0.77404 0.03902  0.15680  0.12839  201 A1ICD A C26  
1790 C  C27  . A1ICD B .   ? 1.03542 1.04390 0.75160 0.08720  0.14169  0.11717  201 A1ICD A C27  
1791 C  C28  . A1ICD B .   ? 0.97328 1.03962 0.74909 0.06598  0.19521  0.09082  201 A1ICD A C28  
1792 C  C29  . A1ICD B .   ? 0.99875 1.04110 0.76322 -0.01961 0.20593  0.08923  201 A1ICD A C29  
1793 C  C30  . A1ICD B .   ? 1.14109 1.01857 0.78436 -0.08308 0.19695  0.08088  201 A1ICD A C30  
1794 C  C31  . A1ICD B .   ? 1.19170 1.01049 0.77931 -0.00689 0.18028  0.11140  201 A1ICD A C31  
1795 C  C33  . A1ICD B .   ? 1.21575 1.02471 0.77914 -0.07554 0.20278  0.11534  201 A1ICD A C33  
1796 C  C34  . A1ICD B .   ? 1.21719 1.05431 0.79878 -0.10401 0.22005  0.06735  201 A1ICD A C34  
1797 C  C35  . A1ICD B .   ? 1.20102 1.02597 0.79387 -0.12732 0.22205  0.05860  201 A1ICD A C35  
1798 N  N03  . A1ICD B .   ? 1.03597 0.80325 0.57190 0.22591  0.08969  0.02876  201 A1ICD A N03  
1799 N  N08  . A1ICD B .   ? 0.92660 0.74532 0.57264 0.10469  0.11050  0.16329  201 A1ICD A N08  
1800 N  N15  . A1ICD B .   ? 0.75741 1.05032 0.67664 -0.05519 -0.01973 0.24256  201 A1ICD A N15  
1801 N  N20  . A1ICD B .   ? 1.10195 0.96569 0.76916 -0.03553 0.14035  0.16933  201 A1ICD A N20  
1802 N  N32  . A1ICD B .   ? 1.19752 0.94125 0.76277 -0.02599 0.17226  0.18627  201 A1ICD A N32  
1803 O  O01  . A1ICD B .   ? 1.00063 0.81336 0.61581 0.46429  0.05354  0.00842  201 A1ICD A O01  
1804 O  O22  . A1ICD B .   ? 1.20081 0.98351 0.75626 0.10602  0.03948  0.25313  201 A1ICD A O22  
1805 O  O23  . A1ICD B .   ? 1.17049 0.95010 0.75167 0.13206  0.07815  0.25653  201 A1ICD A O23  
1806 O  O24  . A1ICD B .   ? 1.23837 0.75312 0.75039 -0.17675 0.04298  0.29013  201 A1ICD A O24  
1807 O  O25  . A1ICD B .   ? 1.12376 1.04521 0.71008 0.02722  0.17414  0.24477  201 A1ICD A O25  
1808 O  O36  . A1ICD B .   ? 0.78102 1.42531 0.69265 -0.31540 0.02022  0.28273  201 A1ICD A O36  
1809 S  S07  . A1ICD B .   ? 0.67886 0.87916 0.55677 0.07539  -0.01693 0.11177  201 A1ICD A S07  
1810 NI NI21 . A1ICD B .   ? 1.12902 0.85332 0.72170 -0.00337 0.06759  0.29977  201 A1ICD A NI21 
1811 C  C36  . A1ICD B .   ? 0.60487 0.91372 0.67429 0.13269  -0.03471 0.30437  201 A1ICD A C36  
1812 S  S    . SO4   C .   ? 0.77674 1.93248 0.99432 -0.11226 0.25061  -0.18773 202 SO4   A S    
1813 O  O1   . SO4   C .   ? 0.78879 1.89477 0.98965 -0.10032 0.26817  -0.18540 202 SO4   A O1   
1814 O  O2   . SO4   C .   ? 0.78264 1.93641 0.99506 -0.22061 0.25640  -0.16960 202 SO4   A O2   
1815 O  O3   . SO4   C .   ? 0.73983 1.91273 0.99596 -0.04481 0.27017  -0.19414 202 SO4   A O3   
1816 O  O4   . SO4   C .   ? 0.77176 1.96366 0.99327 -0.06255 0.25943  -0.19081 202 SO4   A O4   
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